Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6583663821220402
cohesive_energy=4.00235933929048
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.015087051080950306
Energy: 0.015962091434188926
Energy: -0.14884960945234044
Energy: 0.015962091434188926
Energy: 0.015962091434188926
Energy: 1.070409974004643
Energy: 0.015962091433610513
Energy: 1.0704099740052557
Energy: -0.14884961038249225
Energy: 0.01596209143299808
Energy: 0.015087051080950306
Energy: 0.015962091433610513
Energy: 0.015962091434188926
Energy: 1.0704099740052557
Energy: 0.015962091434188926
Energy: 1.0704099740052557

minimum gb energy = -0.14884961038249225 eV
minimum distance =  2.49992598247445 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: -2.70345122084439
Energy: 0.6859163554995716
Energy: -0.74532580389853
Energy: 0.6859163555010571
Energy: -2.3047508207477403
Energy: -2.0944038674159215
Energy: -2.5848336920780315
Energy: -2.299876104717266
Energy: -1.9455647908980105
Energy: 0.6552196893055374
Energy: -2.306403812348408
Energy: 0.6552196893085085
Energy: -2.3721154713904964
Energy: 0.6167738588844056
Energy: -2.4575128648674816
Energy: 0.6167738588851484
Energy: -2.024995416892402
Energy: 0.6772168119763317
Energy: -1.91675255360649
Energy: 0.677216811975589
Energy: -2.5067650393986733
Energy: 0.8468879343506408
Energy: -2.1716407208295445
Energy: 0.8468879343573255
Energy: -2.747066613162377
Energy: 0.6460136738310066
Energy: -2.6341571741392666
Energy: 0.6460136739943443
Energy: -2.1700391944089112
Energy: 0.675329273070846
Energy: -1.566334191076569
Energy: 0.6753292730753024
Energy: -2.301431260483396
Energy: -2.4376704652131216
Energy: -2.2287736856395837
Energy: -2.4376704478768465
Energy: -2.1345917097066875
Energy: 0.6684331003810158
Energy: 0.13164285988645982
Energy: 0.6684331003817585
Energy: -2.3606910778655172
Energy: -2.3094455584399847
Energy: -2.5273202086629163
Energy: -2.295045068569462
Energy: -1.9801696696822058
Energy: 0.6852142560457308
Energy: -2.4412340737506786
Energy: 0.6852142560435027
Energy: -2.4113938986816015
Energy: 0.6553246142092255
Energy: -2.346429473956196
Energy: 0.6553246142099682
Energy: -2.2524793139865653
Energy: 0.6634438982776998
Energy: -2.1070865788007103
Energy: 0.6634438982784426
Energy: -2.479447909149707
Energy: 0.677271197865733
Energy: -2.41959632858882
Energy: 0.677271197865733
Energy: -2.042345719203743
Energy: 0.6814750944787447
Energy: -2.407454272530018
Energy: 0.6814750944794873
Energy: -2.3764539811219083
Energy: 0.6542479215940702
Energy: -1.993470602212637
Energy: 0.6542479215933275
Energy: -2.615428547756956
Energy: -1.968133568934801
Energy: -2.8907398485585802
Energy: -2.0993172551144115
Energy: -1.9734083845708152
Energy: 0.686753520868264
Energy: -2.4186411370316048
Energy: 0.6867535208675213
Energy: -2.4929960415401027
Energy: -2.3367523486103927
Energy: -2.369461045375601
Energy: -2.2996464676898802
Energy: -1.9228963237533783
Energy: 0.654149396152064
Energy: -2.0531722738520397
Energy: 0.6541493961550351
Energy: -2.5826049133377293
Energy: -2.784732880564236
Energy: -2.28994060180828
Energy: -2.5701343067512394
Energy: -2.0323914579440854
Energy: 0.676475092442802
Energy: -2.367662733527911
Energy: 0.6764750924457732
Energy: -1.9928340518193621
Energy: 0.655342486050692
Energy: -2.6709368374474924
Energy: 0.6553424860477209
Energy: -2.3930621094170883
Energy: 0.84850525388447
Energy: -2.5215912050515072
Energy: 0.8485052538807563
Energy: -2.1812678640309366
Energy: 0.6752537022403227
Energy: -2.422287305671022
Energy: 0.6752537022440364
Energy: -2.4125312304888755
Energy: 0.8323384654564341
Energy: -2.301702180445037
Energy: 0.8323384654519774
Energy: -1.8566017494895224
Energy: 0.6665557837156691
Energy: -2.492191558964752
Energy: 0.6665557837141837
Energy: -2.5789904975238978
Energy: -2.0982558543513123
Energy: -2.0172517403379215
Energy: -2.2136882732328114
Energy: -2.8013809277161292
Energy: 0.6863523141427724
Energy: -2.245528240930632
Energy: 0.686352314141287
Energy: -2.56948653776436
Energy: 0.6700291289700924
Energy: -2.469346890705216
Energy: 0.6700291289686069
Energy: -1.9621987039165456
Energy: 0.6586698011568509
Energy: -2.4227914036192235
Energy: 0.658669801159079
Energy: -2.176903231079335
Energy: 0.686820402768909
Energy: -2.385890438202559
Energy: 0.6868204027666809

minimum gb energy = -2.8907398485585802 eV
minimum distance =  2.23238833005065 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: -1.8248667662557547
Energy: 0.7597330085051959
Energy: 0.3074353134778056
Energy: 0.7597330085085833
Energy: -1.6828513352977577
Energy: 0.6652716698928834
Energy: -1.891389671896867
Energy: 0.6652716698954241
Energy: -1.3773188298992294
Energy: 0.7618190015240701
Energy: -1.737339086635485
Energy: 0.7618190015283045
Energy: -1.913642320814136
Energy: 0.7454164565828385
Energy: -1.9040221733860345
Energy: 0.745416456585379
Energy: -1.769065683954782
Energy: 0.7329039237184944
Energy: -1.2756172052263106
Energy: 0.7329039237227287
Energy: -1.9033158987540542
Energy: 0.733320326725269
Energy: -1.2734485892023013
Energy: 0.7333203267184942
Energy: -1.6689377193382298
Energy: -1.6902454148189658
Energy: -1.7279357806795836
Energy: -1.6843497923846384
Energy: 0.23256043762499817
Energy: 0.7617811454142006
Energy: -1.3773447093432116
Energy: 0.7617811454065788
Energy: -1.6765911111223797
Energy: 0.8341180783116265
Energy: -2.0306102693635335
Energy: 0.8341180783691748
Energy: -1.5999795148398146
Energy: 0.7623312452453634
Energy: 0.2698339593958078
Energy: 0.7623312452445166
Energy: -1.6028888438728632
Energy: 0.6628591393423222
Energy: -1.9346413863173912
Energy: 0.6628591393499441
Energy: -1.42609759026941
Energy: 0.7494306211873245
Energy: -1.6128466444090452
Energy: 0.7494306211830902
Energy: -2.1206449162527887
Energy: 0.7363675829189208
Energy: -1.3849979814903117
Energy: 0.7363675829180739
Energy: -2.046390080320095
Energy: 0.7359514022647439
Energy: -1.3133589629274773
Energy: 0.7359514022596628
Energy: -1.5552552872247531
Energy: 0.7475366277354965
Energy: -1.751099149396149
Energy: 0.7475366277388839
Energy: -1.7323812868334292
Energy: 0.6650866584001256
Energy: -1.7637736271514592
Energy: 0.6650866584001256
Energy: -1.8231633335356523
Energy: 0.7614466293665106
Energy: -1.6190889955522532
Energy: 0.76144662936397
Energy: -1.694161762906046
Energy: -1.7202849744227375
Energy: -1.9004686114784737
Energy: -1.598488292959354
Energy: -1.377767182904202
Energy: 0.7615416493986373
Energy: -1.282438237738781
Energy: 0.7615416493960967
Energy: -1.7447236110814528
Energy: -1.8873859516883982
Energy: -1.5835226559063262
Energy: -1.8643244067786564
Energy: -1.7867366818849497
Energy: 0.7330215168226124
Energy: -1.5010188792917414
Energy: 0.7330215168276936
Energy: -1.660989891303566
Energy: 0.733476927277648
Energy: -1.5665937097633604
Energy: 0.7334769272844229
Energy: -1.6254331713602754
Energy: 0.7430295246369686
Energy: -1.7981699733251448
Energy: 0.7430295246310404
Energy: -1.3679371337316009
Energy: 0.7615635475860598
Energy: -1.7426708203685546
Energy: 0.7615635475886003
Energy: -1.7642877466982796
Energy: 0.6737721310040782
Energy: -1.7597940435778645
Energy: 0.6737721310040782
Energy: -1.920507466197541
Energy: 0.7597330085051959
Energy: -1.5955910291540665
Energy: 0.7597330085068896
Energy: -1.7711488141523897
Energy: 0.6652716698962711
Energy: -1.5880694214874493
Energy: 0.6652716698945773
Energy: -1.5021935363908312
Energy: 0.7618190015232232
Energy: -1.6718444438649347
Energy: 0.7618190015274576
Energy: -1.7737560885048669
Energy: 0.7454164565819915
Energy: -1.549677715391636
Energy: 0.745416456585379

minimum gb energy = -2.1206449162527887 eV
minimum distance =  2.23479476909163 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: -1.3790196464877607
Energy: 0.8193053187111395
Energy: 0.34303718510037073
Energy: 0.8193053187101551
Energy: -1.199244277479006
Energy: 0.646186177409388
Energy: -1.5057334704620595
Energy: 0.646186177409388
Energy: -0.9904060931215409
Energy: 0.861064924579136
Energy: -1.0283760051212294
Energy: 0.8610649245781514
Energy: -0.8262602746723784
Energy: 0.8501174752088644
Energy: -1.217178072305319
Energy: 0.8501174752098488
Energy: -1.1302659686606626
Energy: 0.832590560172321
Energy: 0.4215034367377251
Energy: 0.8325905601742899
Energy: -1.410098071119918
Energy: 0.8629527834021983
Energy: -1.136202639190557
Energy: 0.862952783401214
Energy: -1.503075084670716
Energy: -1.1505815595559394
Energy: -1.4521245235168472
Energy: -1.0637459356862489
Energy: -1.7087638111372057
Energy: 0.820818027917152
Energy: -1.200628356968734
Energy: 0.820818027917152
Energy: -1.3723541699898032
Energy: 0.7411586144122659
Energy: -1.2184627637392125
Energy: 0.7411586144142349
Energy: -1.1386695843541637
Energy: 0.8632786374622854
Energy: -0.9074039371469758
Energy: 0.8632786374632699
Energy: -1.0192667515681755
Energy: 0.8388562790397361
Energy: -1.0793754366527673
Energy: 0.8388562790397361
Energy: -1.1640476683749308
Energy: 0.8280357834575485
Energy: -1.078801123108127
Energy: 0.828035783458533
Energy: -1.0986178474395845
Energy: 0.8414645137019537
Energy: -0.8844012559514922
Energy: 0.8414645137019537
Energy: -1.3697810419795748
Energy: 0.6157560212817738
Energy: -1.1784903556240074
Energy: 0.615756021279805
Energy: 0.3711439869842261
Energy: 0.8262516512970906
Energy: -1.0886565367648786
Energy: 0.8262516512990594
Energy: -1.5893158386768866
Energy: -1.2135211755029396
Energy: -1.1076075121194215
Energy: -1.2431973731957915
Energy: 0.34846238760489573
Energy: 0.861108041495357
Energy: 0.35853543328942183
Energy: 0.8611080414973259
Energy: -1.0750674876092483
Energy: 0.6947371567101963
Energy: -0.8569425478309095
Energy: 0.6947371566983829
Energy: -0.781286989248992
Energy: 0.8393960558193907
Energy: -1.2369746295282644
Energy: 0.8393960558184064
Energy: -1.2023046477048398
Energy: 0.863049361534795
Energy: -1.0611640658169845
Energy: 0.8630493615338104
Energy: -1.2794858545710086
Energy: 0.8165328685845239
Energy: -1.295597269395443
Energy: 0.8165328685864929
Energy: -1.3139125359563666
Energy: 0.8193890498250351
Energy: -1.1661354481465334
Energy: 0.8193890498250351
Energy: -1.1498079771009604
Energy: 0.8195200710148216
Energy: -1.5602437043660744
Energy: 0.819520071017775
Energy: -0.9542976577062229
Energy: 0.860763637183799
Energy: -1.1552869524127325
Energy: 0.860763637183799
Energy: -1.4959886715136874
Energy: -1.1768248045241034
Energy: -1.1116245604359103
Energy: -1.226777938414994

minimum gb energy = -1.7087638111372057 eV
minimum distance =  2.1821308382415 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: -0.3811854738809565
Energy: 0.9518445520007555
Energy: -1.2013479896139998
Energy: 0.9518445520007555
Energy: -0.5818178764109224
Energy: 0.7777760333845581
Energy: -1.1481505987975156
Energy: 0.7777760333105981
Energy: -0.24850038562014748
Energy: 0.9611763841859143
Energy: -0.1844603412035034
Energy: 0.9611763841859143
Energy: -0.6183675028594446
Energy: 0.980785694637947
Energy: -0.4524180449498879
Energy: 0.9807856946367726
Energy: -1.1364615768332984
Energy: 0.7756830185518707
Energy: -0.6121724915861656
Energy: 0.7756830649232743
Energy: 0.49583552411016996
Energy: 0.9560854044208602
Energy: -0.6756569541034052
Energy: 0.9560854044196857
Energy: -0.939122496809375
Energy: -0.37749354330096013
Energy: -0.5188879155718856
Energy: -0.37736326241220325
Energy: -0.539751713292651
Energy: 0.9548709546267341
Energy: -0.4410497279689463
Energy: 0.9548709546267341
Energy: -0.9396079875750014
Energy: 0.7722505905024815
Energy: -0.5651126162950177
Energy: 0.7722505907877251
Energy: -0.6482992228285964
Energy: 0.9535615304018925
Energy: -0.6086715595770023
Energy: 0.9535615304007181
Energy: -0.503021550351083
Energy: 0.9275992277101304
Energy: -0.4855436933464455
Energy: 0.9275992277124792
Energy: -0.8826062456267847
Energy: 0.7572666902049301
Energy: -0.5091706712503501
Energy: 0.7572666906803452
Energy: -0.2592708796049748
Energy: 0.9555053161708404
Energy: 0.3905718320668427
Energy: 0.9555053161731892
Energy: -0.8894422550321739
Energy: 0.7069884087618344
Energy: -0.4344275417798619
Energy: 0.7069882079301721
Energy: -0.22715863356611207
Energy: 0.9555349589178161
Energy: -0.24770227493080074
Energy: 0.9555349589154672
Energy: -0.8919735555588012
Energy: 0.7625136836022246
Energy: -0.3802866530975772
Energy: 0.7625136835928561
Energy: -0.7704727697081482
Energy: 0.9269476633887771
Energy: 0.6297869588627264
Energy: 0.9269476633876027
Energy: -0.6557779233033117
Energy: 0.9544752158035847
Energy: -0.5655731820577358
Energy: 0.9544752158035847
Energy: -0.8336730708831228
Energy: 0.7528893985148998
Energy: -0.552548646096614
Energy: 0.7528887596076476
Energy: -0.45061686977388826
Energy: 0.9552559810609219
Energy: -0.5997724010534659
Energy: 0.955255981058573
Energy: -0.932602013359669
Energy: -0.5648349565624606
Energy: -0.4453593441360085
Energy: -0.32472772070237177

minimum gb energy = -1.2013479896139998 eV
minimum distance =  2.18802116993966 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.7757882111093642
Energy: 1.0278768557669067
Energy: 0.3929082652931615
Energy: 1.0278768557654543
Energy: 0.7405632499353919
Energy: 0.9058943844943289
Energy: 0.7081324510447794
Energy: 0.9058943844943289
Energy: 0.6037567750901721
Energy: 1.0994900177853573
Energy: 0.7141160541428423
Energy: 1.0994900177882616
Energy: 0.7665931262894453
Energy: 1.0198323263420173
Energy: 0.5883024707905583
Energy: 1.0198323263420173
Energy: 0.587862316603178
Energy: 0.7417623850493961
Energy: 0.7136514319330637
Energy: 0.7417623850421342
Energy: 0.7113508737382865
Energy: 1.0907308484654186
Energy: 0.7182756930061943
Energy: 1.0907308484654186
Energy: 0.6003139335848121
Energy: 0.8768894676019297
Energy: 0.7134772936491287
Energy: 0.8768894676004774
Energy: 0.5756820778397159
Energy: 1.0283408740254687
Energy: 0.7775156662528615
Energy: 1.0283408740254687
Energy: 0.7136079839596474
Energy: 0.9047705937043248
Energy: 0.7411969577049595
Energy: 0.9047705937028724
Energy: 0.6715501913818632
Energy: 0.9367288068460865
Energy: 0.7130110606921913
Energy: 0.9367288068460865
Energy: 0.5648634335139745
Energy: 1.0277071977683592
Energy: -0.5018411920407224
Energy: 1.027707197766907
Energy: 0.708633317792791
Energy: 0.8358989822391635
Energy: 0.6325733169187794
Energy: 0.8358989822594965
Energy: 0.635466751042102
Energy: 1.083862249635464
Energy: 0.710962004763888
Energy: 1.083862249635464
Energy: 0.7131885614047243
Energy: 0.8821986521043199
Energy: 0.812546969024902
Energy: 0.8821986521028676
Energy: 0.71652280987103
Energy: 1.0267676486956259
Energy: 0.5897554822391355
Energy: 1.0267676486941733
Energy: 0.7440506563461327
Energy: 0.9369808309284644
Energy: 0.7123420626033893
Energy: 0.936980830927012
Energy: 0.7137440013850819
Energy: 0.7540132325725492
Energy: 0.6294496686796873
Energy: 0.754013232571097

minimum gb energy = -0.5018411920407224 eV
minimum distance =  2.34059499738903 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.8385229776757492
Energy: 1.0336242410991512
Energy: -0.10415213405499395
Energy: 1.0336242410983285
Energy: 0.7323189729129248
Energy: 0.7284295279137233
Energy: 0.7225361170529354
Energy: 0.7284295279145458
Energy: 0.6762675778817291
Energy: 1.0552707541950694
Energy: 0.7233848115250824
Energy: 1.0552707541967146
Energy: 0.7203157072758877
Energy: 1.008995589921588
Energy: 0.676712537895711
Energy: 1.00899558987474
Energy: 0.760949583625037
Energy: 0.9076115571937103
Energy: 0.6960475953029891
Energy: 0.9076115571937103
Energy: 0.787269905341069
Energy: 1.0261006834071447
Energy: 0.5826397341371099
Energy: 1.0261006834087898
Energy: 0.7252457613380243
Energy: 0.8270635392970466
Energy: 0.6885099841445245
Energy: 0.8270635392995143
Energy: 0.6244526096691072
Energy: 1.1019152909242542
Energy: 0.7891438330822037
Energy: 1.101915290923432
Energy: 0.7531571430515248
Energy: 1.0167297608900312
Energy: 0.6239249661095438
Energy: 1.0167297608900312
Energy: 0.6676619083888932
Energy: 0.9118529774605588
Energy: 0.7197198460878541
Energy: 0.9118529774589137
Energy: 0.7593084360251
Energy: 1.0139466571211693
Energy: 0.6297383268580271
Energy: 1.0139466571178788
Energy: 0.7749674907678019
Energy: 0.886528766746236
Energy: 0.7871026196101275
Energy: 0.8865287667470587
Energy: 0.6502506254485149
Energy: 1.012826450308909
Energy: 0.8252227452325073
Energy: 1.012826450308909
Energy: 0.7590864823140461
Energy: 1.0260616493011856
Energy: 0.7279299731894252
Energy: 1.0260616492995405
Energy: 0.6959040533844133
Energy: 0.8140595076899959
Energy: 0.7577395765043291
Energy: 0.8140595076924636
Energy: 0.642851128850701
Energy: 1.0702161012347362
Energy: 0.6495833084860492
Energy: 1.070216101249542
Energy: 0.7213669892053279
Energy: 0.8757049696840363
Energy: 0.6951924723916482
Energy: 0.8757049696881491
Energy: 0.523359298030819
Energy: 1.0043915084797068
Energy: 0.7869506364173575
Energy: 1.0043915084788841
Energy: 0.7839996361568149
Energy: 0.9603506629641562
Energy: 0.8233423218708908
Energy: 0.9603506629674464
Energy: 0.7282342506204174
Energy: 1.013068749098421
Energy: 0.7272097923296498
Energy: 1.0130687491008887
Energy: 0.6040062488939959
Energy: 0.9774886134672977
Energy: 0.7209318039938302
Energy: 0.97748861346483
Energy: 0.7550440061713963
Energy: 0.6382841459701201
Energy: 0.6536405300950339
Energy: 0.6382841459709426
Energy: 0.6986381545271501
Energy: 1.0005237185716207
Energy: 0.7628888652800291
Energy: 1.000523718574911
Energy: 0.8145327403471527
Energy: 0.8481885912315174
Energy: 0.7059026177789713
Energy: 0.8481885912306948
Energy: 0.8143066712529097
Energy: 1.0403102898658352
Energy: 0.6780919701440381
Energy: 1.0403102898633676
Energy: 0.25162844615733465
Energy: 1.005117751072933
Energy: 0.7632093979851
Energy: 1.0051177510679978
Energy: 0.7174436580913249
Energy: 0.8657657613688647
Energy: 0.6932426827246592
Energy: 0.8657657613754451
Energy: 0.5685208996169975
Energy: 0.9836972265352123
Energy: 0.7217929121746058
Energy: 0.9836972265360349
Energy: 0.6928719470878449
Energy: 0.857275822557589
Energy: 0.7245979863585995
Energy: 0.8572758225608793
Energy: 0.7891472469312742
Energy: 0.981029232448342
Energy: 0.6068986513558122
Energy: 0.9810292324475194

minimum gb energy = -0.10415213405499395 eV
minimum distance =  2.26174116521861 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.8628744373952015
Energy: 0.8676571549522304
Energy: -0.5019654595092953
Energy: 0.8676571549540809
Energy: 0.8189387637062312
Energy: 0.8090126433930821
Energy: 0.7500368785847996
Energy: 0.8090126433949759
Energy: 0.8244909064359207
Energy: 0.9997337014874401
Energy: 0.8544164906797138
Energy: 0.9997337014912273
Energy: 0.8242323604416184
Energy: 1.0024399815565759
Energy: 0.6261301348532609
Energy: 1.002439981533852
Energy: 0.8189988968872552
Energy: 0.8088208907065244
Energy: 0.7500277953458194
Energy: 0.8088209059795887
Energy: 0.8628744373952015
Energy: 0.8676571549522304
Energy: -0.4241817730088994
Energy: 0.8676571549559747
Energy: 0.8189387637100185
Energy: 0.8090126433930821
Energy: 0.625903535086965
Energy: 0.8090126433930821
Energy: 0.8244909064359207
Energy: 0.9997337015139512
Energy: 0.8544164906816074
Energy: 0.9997337015253132
Energy: 0.8242323604416184
Energy: 1.0024399815205967
Energy: 0.7212637748163381
Energy: 1.002439981533852
Energy: 0.8189988960657554
Energy: 0.8088208750643278
Energy: 0.6256842341816077
Energy: 0.8088208845889582
Energy: 0.8628744373952015
Energy: 0.8676571549540809
Energy: 0.6445412033387056
Energy: 0.8676571549540809
Energy: 0.8189387637062312
Energy: 0.8090126433949759
Energy: 0.7176995412467359
Energy: 0.8090126433949759
Energy: 0.8244909064359207
Energy: 0.9997337015082702
Energy: 0.8544164906797138
Energy: 0.9997337015120575

minimum gb energy = -0.5019654595092953 eV
minimum distance =  2.29730112491644 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.9196037572834984
Energy: 1.0304364272386088
Energy: 0.2782097360637861
Energy: 1.0304364272386088
Energy: 0.6997252699845437
Energy: 0.6961992656636046
Energy: 0.6294458381777901
Energy: 0.6961992656636046
Energy: 0.6422059932019395
Energy: 0.986103224623627
Energy: 0.6091142240110886
Energy: 0.9861032246257296
Energy: 0.633697232837535
Energy: 0.860718726258088
Energy: 0.7489631468677266
Energy: 0.860718726258088
Energy: 0.6506955142009218
Energy: 0.6891603033979857
Energy: 0.542618264685853
Energy: 0.6891603034056951
Energy: 0.906534714609101
Energy: 0.7081143918615529
Energy: 0.6024603219668079
Energy: 0.7081143918622539
Energy: 0.6552095491871235
Energy: 0.6607386340265732
Energy: 0.7186323109220379
Energy: 0.660738634049001
Energy: 0.8002060960503273
Energy: 1.039215070382455
Energy: 0.646817031642232
Energy: 1.0392150703796517
Energy: 0.6604301903275177
Energy: 0.8738936233675432
Energy: 0.8305411407805642
Energy: 0.8738936210647984
Energy: 0.6625153945483016
Energy: 0.7655476577105118
Energy: 0.7110752174296368
Energy: 0.7655476577028022
Energy: 0.749363027347604
Energy: 1.0484818955996342
Energy: 0.5611217131305871
Energy: 1.0484818956024378
Energy: 0.6351632270082301
Energy: 1.0468638676198916
Energy: 0.7373519237502815
Energy: 1.0468638676191908
Energy: 0.7243483304467533
Energy: 1.0286150987727358
Energy: 0.659994907981594
Energy: 1.0286150987797447
Energy: 0.640725444358177
Energy: 1.050524508792654
Energy: 0.918624682433828
Energy: 1.050524508792654
Energy: 0.687826507214182
Energy: 0.9457998728774436
Energy: 0.6507336572406123
Energy: 0.9457998518095039
Energy: 0.7248501984470495
Energy: 0.8804703612725862
Energy: 0.627226822268236
Energy: 0.8804703613945377
Energy: 0.6905821668848917
Energy: 0.9101034040269169
Energy: 0.688183120154819
Energy: 0.9101034040276178
Energy: 0.7508798583826772
Energy: 0.6690162961088104
Energy: 0.6848925515284031
Energy: 0.6690162961074088
Energy: 0.6682245764424658
Energy: 0.9139773291042158
Energy: 0.9070155009681776
Energy: 0.9139773291091219
Energy: 0.6025987485206243
Energy: 0.7944510797929423
Energy: 0.7162395971100414
Energy: 0.7944510797866343
Energy: 0.6436842105909706
Energy: 1.0296813629231234
Energy: 0.640155217015816
Energy: 1.0296813629245252
Energy: 0.7462107341317668
Energy: 0.79231448939255
Energy: 0.6620399491847672
Energy: 0.7923144893911483
Energy: 0.8272310570634924
Energy: 0.8927617264355627
Energy: 0.6605356306481162
Energy: 0.8927617264348618
Energy: 0.14309342767396702
Energy: 1.05250417924438
Energy: 0.8257232799995866
Energy: 1.0525041792401748
Energy: 0.7324043894067944
Energy: 0.7486257449631621
Energy: 0.680971657767139
Energy: 0.7486257449666666
Energy: 0.6780313232985137
Energy: 0.9153433248939429
Energy: 0.7077114164278961
Energy: 0.9153433282516903
Energy: 0.6520251161612904
Energy: 0.9165511046583625
Energy: 0.6322448209400825
Energy: 0.9165511046590635
Energy: 0.9049696644728363
Energy: 0.8554248609755054
Energy: 0.6334679144400379
Energy: 0.8554248609874201
Energy: 0.6594475342594206
Energy: 0.9817648507711607
Energy: 0.7130302830661026
Energy: 0.9817648507774684
Energy: 0.7274775410003026
Energy: 0.7453517440923694
Energy: 0.7233851665206157
Energy: 0.7453517439010953
Energy: 0.6843856191824387
Energy: 1.0467088198119816
Energy: 0.8259102373352959
Energy: 1.0467088198077763
Energy: 0.6994800755827115
Energy: 0.6703375035711764
Energy: 0.6602502614149762
Energy: 0.6703375035676721
Energy: 0.6581408703027556
Energy: 0.7933234303063448
Energy: 0.6546504865942897
Energy: 0.7933234303098491
Energy: 0.6396047968982734
Energy: 1.0332239505509393
Energy: 0.6334197649109108
Energy: 1.0332239505488365
Energy: 0.6528191758911062
Energy: 0.7154540246941828
Energy: 0.6829045864572465
Energy: 0.715454024693482

minimum gb energy = 0.14309342767396702 eV
minimum distance =  2.29658580526631 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.9176076367554035
Energy: 0.7297596287116827
Energy: 0.6796809034239091
Energy: 0.7297596286928041
Energy: 0.8115406152615681
Energy: 0.7822240168408843
Energy: 0.8128960232054053
Energy: 0.7822235585733137
Energy: 0.7524332607121619
Energy: 0.9231363067797294
Energy: 0.6906978043098296
Energy: 0.9231363067797294
Energy: 0.7017454409660142
Energy: 0.7820147203597368
Energy: 0.8012472969591132
Energy: 0.7820147203586248
Energy: 0.7013529014918238
Energy: 0.7287671747253182
Energy: 0.727865527290591
Energy: 0.7287671747253182
Energy: 0.8032068528555452
Energy: 0.9183811775647108
Energy: 0.40576445015438684
Energy: 0.9183811775702708
Energy: 0.7406606689400788
Energy: 0.7139070133083987
Energy: 0.7534958293398142
Energy: 0.7139070133083987
Energy: 0.7650484319289994
Energy: 0.9269719094059766
Energy: 0.6688619859591414
Energy: 0.9269719100061984
Energy: 0.741784971354761
Energy: 0.7109903843905404
Energy: 0.9201343972273834
Energy: 0.7109903843905404
Energy: 0.752923868335971
Energy: 0.7406907838148813
Energy: 0.7490137338175792
Energy: 0.7406907838137693
Energy: 0.6343292965630191
Energy: 0.9218488344126592
Energy: 0.6353021511386139
Energy: 0.9218488339124912
Energy: 0.7365129943474231
Energy: 0.8018299436589693
Energy: 0.7015337218592141
Energy: 0.8018299436578572
Energy: 0.804090950593891
Energy: 0.7008958474822401
Energy: 0.6605406007048932
Energy: 0.7008958474822401
Energy: 0.5253239415973208
Energy: 0.8981853214914464
Energy: 0.8029807958478506
Energy: 0.8981853214658959
Energy: 0.665936030864997
Energy: 0.8401141024875183
Energy: 0.7091879217913133
Energy: 0.8401141024886304
Energy: 0.6352085439872209
Energy: 0.9232004278920957
Energy: 0.7654456633836186
Energy: 0.9232004536298813
Energy: 0.8643896532862722
Energy: 0.9244100022957727
Energy: 0.7452287796357682
Energy: 0.9244100023013326
Energy: 0.8125603620453277
Energy: 0.9349779334679827
Energy: 0.7449027343512804
Energy: 0.9349779334679827
Energy: 0.6424782721014412
Energy: 0.9226328507697381
Energy: 0.765746730743574
Energy: 0.9226327660770877
Energy: 0.8540795312700153
Energy: 0.839164644876712
Energy: 0.7227592152944342
Energy: 0.839164644877824
Energy: 0.5699258007993312
Energy: 0.9212811588984685
Energy: 0.8029720622011034
Energy: 0.9212811589462586
Energy: 0.7392744005925516
Energy: 0.7260573909296959
Energy: 0.6887902355158751
Energy: 0.7260573909363679

minimum gb energy = 0.40576445015438684 eV
minimum distance =  2.29081407882672 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.9359741997464033
Energy: 0.606315959578747
Energy: -0.11636953287058452
Energy: 0.6063159595748154
Energy: 0.40584138653497903
Energy: 0.6953613204803399
Energy: 0.7496338807404809
Energy: 0.6953613204826989
Energy: 0.7231867424892593
Energy: 0.8047232103998352
Energy: 0.6607236484821414
Energy: 0.8047232103982627
Energy: 0.1700552637649928
Energy: 0.65343119572286
Energy: 0.8578771104757974
Energy: 0.6534311957330818
Energy: 0.7228424445283572
Energy: 0.6410158219762017
Energy: 0.5720647704266167
Energy: 0.6410158219840647
Energy: 0.8260542405227309
Energy: 0.8771164692051281
Energy: 0.17085776273817507
Energy: 0.8771164691956924
Energy: 0.6432502222926294
Energy: 0.9827873220384566
Energy: 0.6279484171373373
Energy: 0.9827873221139052
Energy: 0.8258095944718942
Energy: 0.6335176459363409
Energy: 0.3186225516859423
Energy: 0.6335176459410587
Energy: 0.7098905730906592
Energy: 0.83693417529398
Energy: 0.842737171172371
Energy: 0.8369341752853307
Energy: 0.7207322246242903
Energy: 0.6845851171491867
Energy: 0.6555839905012467
Energy: 0.6845851171570496
Energy: 0.6050356202577487
Energy: 0.6466056912120274
Energy: 0.6552183263931847
Energy: 0.6466056916867355
Energy: 0.6143153240727645
Energy: 0.8019754158559522
Energy: 0.3662863850689844
Energy: 0.8019754158575247
Energy: 0.7922475549617793
Energy: 0.8573251781472703
Energy: 0.34170760806819234
Energy: 0.8573251782619978
Energy: 0.6230588291153648
Energy: 0.9854375096309856
Energy: 0.6390918827498793
Energy: 0.9854375096349172
Energy: 0.622691938030918
Energy: 0.6813706782991925
Energy: 0.7478762443013739
Energy: 0.6813706783086282
Energy: -0.07082932089501848
Energy: 0.9213984128404767
Energy: 0.8418109380911426
Energy: 0.9213984128451946
Energy: 0.6230347879618293
Energy: 0.6574339736728276
Energy: 0.6688322068528542
Energy: 0.6574339736736139
Energy: 0.6570910031699384
Energy: 0.7801437162568241
Energy: 0.36141317675043855
Energy: 0.7801437163267687
Energy: 0.822314172195981
Energy: 0.8565373999419539
Energy: 0.3560544479084481
Energy: 0.8565373999427401
Energy: 0.7212026287776736
Energy: 0.6532538182475669
Energy: 0.41814766645596624
Energy: 0.6532538182428491
Energy: 0.14189066408201348
Energy: 0.8474377783005181
Energy: 0.8427361797316542
Energy: 0.8474377929136051
Energy: 0.7206541293772762
Energy: 0.8176526230063581
Energy: 0.437951767624748
Energy: 0.8176526239825083
Energy: 0.6492056641548986
Energy: 0.8369992296399814
Energy: 0.6717667777243059
Energy: 0.8369992296376225
Energy: 0.9370406230975116
Energy: 0.6194585853299877
Energy: 0.09966462378038594
Energy: 0.6194585853268425
Energy: 0.787176358101935
Energy: 0.7384681695349145
Energy: 0.6273362199233703
Energy: 0.7384681695333419
Energy: 0.6277505024312211
Energy: 0.652716161574043
Energy: 0.6628842451025865
Energy: 0.6527161612847935
Energy: 0.7233303302387457
Energy: 0.7996383163297596
Energy: 0.6210603223542537
Energy: 0.7996383163289734
Energy: -0.03579999126005123
Energy: 0.6517568304507663
Energy: 0.8575384594791028
Energy: 0.6517568304523388
Energy: 0.825386589492751
Energy: 1.0099462003613902
Energy: -0.09942741588850527
Energy: 1.0099462003676805
Energy: 0.832378870597192
Energy: 1.167070616818292
Energy: 0.8438167580415886
Energy: 1.1670706168284783
Energy: 0.8254348828255879
Energy: 1.009403980526395
Energy: 0.09837613308532951
Energy: 1.0094039805224637

minimum gb energy = -0.11636953287058452 eV
minimum distance =  2.24233548629656 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.692965643467138
Energy: 0.864745841103188
Energy: 0.5494016896066888
Energy: 0.8647458411029141
Energy: 0.6304261229676268
Energy: 0.7075921054367046
Energy: 0.8316627625948823
Energy: 0.7075928450304023
Energy: 0.5886403400535036
Energy: 0.8373586310591504
Energy: 0.6313579104477403
Energy: 0.8373586310473731
Energy: 0.8329199028956861
Energy: 1.099980896418883
Energy: 0.8337814567777809
Energy: 1.0999808964186393
Energy: 0.8333031071815177
Energy: 0.78675175865367
Energy: 0.6171094996272746
Energy: 0.78675175865367
Energy: 0.5827298898756177
Energy: 0.9798548856651593
Energy: 0.582152409998438
Energy: 0.9798548856659809
Energy: 0.7751173000593689
Energy: 0.7867637080729494
Energy: 0.8331125942399222
Energy: 0.7867637080724015
Energy: 0.8301401317452576
Energy: 1.0994191853990656
Energy: 0.8297611057371235
Energy: 1.0994191853990656
Energy: 0.6312096389967874
Energy: 0.8373868927274831
Energy: 0.5866612715677901
Energy: 0.837386892728822

minimum gb energy = 0.5494016896066888 eV
minimum distance =  2.32968718776594 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.6064895626506486
Energy: 0.5476269468890592
Energy: -0.8603146684856737
Energy: 0.5476280683708389
Energy: 0.4311698904259853
Energy: 0.87966424630402
Energy: 0.5243979604246757
Energy: 0.8796641243970155
Energy: 0.5758767433672862
Energy: 0.18606518800345692
Energy: 0.6663563134999749
Energy: 0.18606525394831167
Energy: 0.14707829233713204
Energy: 0.8818213891200356
Energy: 0.5690064365958912
Energy: 0.8818213891207783
Energy: 0.5754865524473626
Energy: 0.7397249282453935
Energy: 0.6755218950646494
Energy: 0.7397249282447182
Energy: 0.24444698259258046
Energy: 0.5246285307598303
Energy: 0.4872213202060069
Energy: 0.5246285307568593
Energy: 0.3856233923148505
Energy: 0.5932493582612955
Energy: 0.5944344463452478
Energy: 0.5932493582657521
Energy: 0.5149316806970325
Energy: 0.8412229666052524
Energy: 0.5301356176052879
Energy: 0.8412229666097089
Energy: 0.6031074816158327
Energy: 0.7280058277249246
Energy: 0.5231120323822648
Energy: 0.7280058277249246
Energy: 0.6175389136255681
Energy: 0.612692724685495
Energy: 0.1658858953097354
Energy: 0.612692724685495
Energy: 0.2695360794554647
Energy: 0.9455709815447879
Energy: 0.5487947598924697
Energy: 0.9455709798379467
Energy: 0.5516742104790968
Energy: 0.8973226707638849
Energy: 0.5766947560644731
Energy: 0.8973226707579429
Energy: 0.15890068329040222
Energy: 0.5259041919077924
Energy: 0.7072758859281166
Energy: 0.5259041919174481
Energy: 0.5652525175462387
Energy: 0.6843374166196274
Energy: 0.5020767414341415
Energy: 0.6843374166849219
Energy: 0.6547182353559253
Energy: 0.7562287374034609
Energy: 0.553437004447913
Energy: 0.7562287376581569
Energy: 0.653887949563671
Energy: 0.6757444996186004
Energy: -0.4053642971488924
Energy: 0.6757444996142115
Energy: 0.624611180696817
Energy: 0.7238737826852015
Energy: 0.5030156478937072
Energy: 0.7238737801891539
Energy: 0.6137997743823607
Energy: 0.519341870392212
Energy: 0.2285973855056358
Energy: 0.5193418703929548
Energy: 0.5436678405925015
Energy: 0.5823993633037381
Energy: 0.5010551719614259
Energy: 0.5823993632992815
Energy: 0.5442049572423254
Energy: 0.7673750607481956
Energy: 0.5141363900506687
Energy: 0.7673750606242237
Energy: 0.5091387871958504
Energy: 0.7703415156192523
Energy: 0.5576516422115821
Energy: 0.7703415156133104
Energy: 0.601487265600086
Energy: 0.6235985592566009
Energy: 0.5967462718316889
Energy: 0.6235985592580865
Energy: 0.5526328362685531
Energy: 0.6928574710297726
Energy: 0.5213563960309979
Energy: 0.6928573081269784
Energy: 0.6276415150481978
Energy: 0.9265299967806262
Energy: 0.5448286559098163
Energy: 0.9265299971006166
Energy: 0.6273413709089515
Energy: 0.7083844915848195
Energy: 0.5672197598692654
Energy: 0.7083844915840768
Energy: 0.6070177317053179
Energy: 0.6299745728937113
Energy: 0.583003164988021
Energy: 0.6299745731022891
Energy: 0.5215608446461842
Energy: 0.7516693684017238
Energy: 0.5533276332547423
Energy: 0.7516693683957818
Energy: 0.026466739260584477
Energy: 0.9543761275362916
Energy: 0.6254154994666619
Energy: 0.954376127531835
Energy: 0.5490786751145174
Energy: 0.8427962531862662
Energy: 0.6850980559848294
Energy: 0.8427962531632408
Energy: 0.33885521092090803
Energy: 0.7582844000941786
Energy: 0.5836711977653272
Energy: 0.7582844001305734
Energy: 0.5330762229419107
Energy: 0.5005784325790856
Energy: 0.430384862983747
Energy: 0.5005784325790856
Energy: 0.5070600734670473
Energy: 0.8680515245236091
Energy: 0.5525262210416209
Energy: 0.8680515245146961
Energy: 0.5447993707472426
Energy: 0.9693131922861421
Energy: 0.1568531776755322
Energy: 0.969313192401201

minimum gb energy = -0.8603146684856737 eV
minimum distance =  2.18963092649662 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.6409472157132152
Energy: 0.5262014427209175
Energy: 0.24755004317513687
Energy: 0.5262014427116748
Energy: 0.6485059893541489
Energy: 1.1160149861479862
Energy: 0.5097394343755879
Energy: 1.116014986151067
Energy: 0.4343617246776665
Energy: 0.5234288641962965
Energy: 0.48621250590267706
Energy: 0.5234288641962965
Energy: 0.4635055572792766
Energy: 0.729641500644327
Energy: 0.5386038058286962
Energy: 0.7296415004688074
Energy: 0.36953386032004587
Energy: 0.9131205798628892
Energy: 0.7613131290557514
Energy: 0.9131205798680241
Energy: 0.4275157726134948
Energy: 0.7974825490755768
Energy: 0.5385347890730862
Energy: 0.7972938101883151
Energy: 0.41878949323264586
Energy: 0.6018208191382317
Energy: 0.461021589398082
Energy: 0.6018208191433666
Energy: 0.41223980294349344
Energy: 0.8463752234575962
Energy: 0.4548064016586022
Energy: 0.8463752234606771
Energy: 0.5113806381919068
Energy: 0.8234280395694779
Energy: 0.4465959017932557
Energy: 0.8234280395818016
Energy: 0.5128052212100985
Energy: 0.8645687873005654
Energy: 0.444914801540391
Energy: 0.8645687873046733
Energy: 0.4104683397102841
Energy: 0.8480315446947624
Energy: 0.44832360194727483
Energy: 0.8480315446855196
Energy: 0.41967211291148926
Energy: 0.5918870996962889
Energy: 0.41644597828226354
Energy: 0.5918870997106667
Energy: 0.4306905410238821
Energy: 0.7999951584412035
Energy: 0.5383203792514165
Energy: 0.7999509128042664
Energy: 0.4191832638325414
Energy: 0.905369601726757
Energy: 0.619209312857742
Energy: 0.9053696017257299
Energy: 0.4636595651288422
Energy: 0.7304179805675971
Energy: 0.5393911712739066
Energy: 0.730417980481331
Energy: 0.4401132202622242
Energy: 0.5240438945577304
Energy: 0.48438943777752086
Energy: 0.5240438947866528
Energy: 0.649673065537384
Energy: 1.111266837810318
Energy: 0.5090048800296421
Energy: 1.11126683780621
Energy: 0.640947211445943
Energy: 0.5262014426962701
Energy: 0.018707217091760094
Energy: 0.5262014426870273
Energy: 0.6485059893582568
Energy: 1.1160149861459325
Energy: 0.5097394343899655
Energy: 1.116014986151067
Energy: 0.4343617246684236
Energy: 0.5234288641993775
Energy: 0.4862595170401924
Energy: 0.5234288641911617
Energy: 0.46350555727619563
Energy: 0.7296415005406491
Energy: 0.538603805829723
Energy: 0.729641500496489
Energy: 0.36953386032004587
Energy: 0.9131205798146212
Energy: 0.7613131290567785
Energy: 0.9131205798187293
Energy: 0.42751577261657575
Energy: 0.7988325762551673
Energy: 0.5385347890730862
Energy: 0.7989064576926475
Energy: 0.4187894932819407
Energy: 0.6018208191362244
Energy: 0.461021589399109
Energy: 0.6018208191290356

minimum gb energy = 0.018707217091760094 eV
minimum distance =  2.29275245072379 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.5442197403015051
Energy: 0.20914075529043463
Energy: -0.5213621457795503
Energy: 0.20914073395378915
Energy: 0.20419526098678803
Energy: 0.809941025497741
Energy: 0.2065533900360816
Energy: 0.809941025497741
Energy: 0.2843998036018962
Energy: 0.06707972370489827
Energy: 0.18428443513042966
Energy: 0.06707973468249
Energy: -0.1656167630560225
Energy: 0.7424108093779754
Energy: 0.030206715870921604
Energy: 0.742410809536606
Energy: -0.012577993945671894
Energy: 0.6930636283751617
Energy: 0.10093140728921977
Energy: 0.6930636285622983
Energy: -0.16938507419848986
Energy: 0.4537719962516046
Energy: 0.5968330558328616
Energy: 0.40465426950732114
Energy: 0.09446226441830753
Energy: 0.3696501775621572
Energy: 0.40320030779366245
Energy: 0.36964999517453473
Energy: -0.03627001944238195
Energy: 0.4201382035294316
Energy: -0.06314551731476516
Energy: 0.42013820391455353
Energy: 0.044136641473433456
Energy: 0.45973603636298777
Energy: -0.5738909777214574
Energy: 0.4597106032804407
Energy: 0.045511949405611055
Energy: 0.7510684589856202
Energy: 0.1223060977780919
Energy: 0.7510687967342938
Energy: 0.08597816277561901
Energy: 0.8512035125944345
Energy: -0.018996043484235305
Energy: 0.8512035125906259
Energy: 0.1325362963336036
Energy: 0.2073965840078597
Energy: -0.016878357085450036
Energy: 0.20739662059842792
Energy: -0.16173463460033619
Energy: 0.743800145336265
Energy: 0.08730615779271858
Energy: 0.743800159098576
Energy: -0.02282065495261506
Energy: 0.6430349603326198
Energy: 0.18667558173697604
Energy: 0.6430349858884685
Energy: -0.1260805188447435
Energy: 0.8541902341755548
Energy: 0.2317716279967914
Energy: 0.8541902345372487
Energy: 0.14968758307341418
Energy: 0.19316219825443004
Energy: 0.297598080030177
Energy: 0.19415721460903987
Energy: 0.03175678650839859
Energy: 0.3648692073294531
Energy: 0.1262422507792531
Energy: 0.36484465446975695
Energy: 0.21164272132192494
Energy: 0.23904727059312167
Energy: -0.14455989987540904
Energy: 0.23904727061591505
Energy: 0.3191805437264947
Energy: 1.070867370752517
Energy: 0.14803023431114912
Energy: 1.070867370751882
Energy: 0.30221215880463886
Energy: 0.051412369504460834
Energy: -0.28379141517253564
Energy: 0.05141236941692263
Energy: 0.15642093240581365
Energy: 0.7896919447777467
Energy: 0.17436392322160857
Energy: 0.7896919447910766
Energy: 0.12872143745650402
Energy: 0.9328158929525655
Energy: 0.21625674058050173
Energy: 0.9328158929506611
Energy: -0.03419486311803804
Energy: 0.7577805281744566
Energy: 0.2572044667134772
Energy: 0.7577805271909933
Energy: 0.14573234859465697
Energy: 0.7785494944534737
Energy: 0.28805484440197027
Energy: 0.7785494957401757
Energy: -0.21879872907469153
Energy: 0.16831850514383334
Energy: 0.07252560436674657
Energy: 0.1683184800047865
Energy: 0.04420146510514853
Energy: 0.3166021477273664
Energy: 0.14800848682993012
Energy: 0.3166021476747396
Energy: 0.2928134196521788
Energy: 0.7143445228378931
Energy: 0.17826983355669146
Energy: 0.7143445228391625
Energy: 0.16695535361634514
Energy: 0.8319104317949979
Energy: -0.02906698316858459
Energy: 0.8319104317759555
Energy: 0.17967105046398435
Energy: 0.6479945567712929
Energy: -0.018042854156765913
Energy: 0.6479945564946561
Energy: 0.2642480477473622
Energy: 0.8607397152488778
Energy: -0.09346806066659881
Energy: 0.8607397152361829
Energy: 0.05264830390750145
Energy: 0.27913171586372826
Energy: 0.10249093454672714
Energy: 0.2791292116122534
Energy: -0.039526912177338426
Energy: 0.8476082246173858
Energy: 0.11777136662768543
Energy: 0.8476082246396021
Energy: 0.06553767980888521
Energy: 0.7673638802629358
Energy: 0.21362148838384018
Energy: 0.7673638802800741
Energy: -0.08920464398005684
Energy: 0.641397915179704
Energy: 0.1577850031912126
Energy: 0.6413979151784346
Energy: -0.046403940022555934
Energy: 0.15762864690396888
Energy: 0.05184196674683092
Energy: 0.1576286407102798
Energy: 0.04654733307973108
Energy: 0.8161583104577668
Energy: 0.1132372467978647
Energy: 0.8161583104584016
Energy: 0.2356013600734661
Energy: 0.8782094385326579
Energy: -0.1654066382183282
Energy: 0.8782094461165136
Energy: 0.3756636089424611
Energy: 0.8791841252003602
Energy: 0.17817013644201182
Energy: 0.879184125200995

minimum gb energy = -0.5738909777214574 eV
minimum distance =  2.20593834712367 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.5448249992538474
Energy: 0.4095529218230666
Energy: 0.22847859576623883
Energy: 0.4095529218214058
Energy: 0.3958398846266881
Energy: 0.47869677690719153
Energy: 0.38512733363688234
Energy: 0.478696776902209
Energy: 0.3748974976778065
Energy: 0.9443028599320122
Energy: 0.49162961705792857
Energy: 0.9443028599369948
Energy: 0.12093977225119257
Energy: 0.4725729711673902
Energy: 0.3913727950390385
Energy: 0.4725729711740335
Energy: 0.39673268289321595
Energy: 0.8992361045975733
Energy: 0.6001359287976751
Energy: 0.8992361045975733
Energy: 0.3955831636858582
Energy: 0.41093596071274263
Energy: 0.3916946348456543
Energy: 0.4109359607227077
Energy: 0.383760577123103
Energy: 0.5879854171200529
Energy: 0.4136336919114853
Energy: 0.5879854171200529
Energy: -0.06480882979227304
Energy: 0.5853391098572254
Energy: 0.4084625832387651
Energy: 0.5853392937552211
Energy: 0.39827469045417874
Energy: 0.4195463699418235
Energy: 0.20027795873798793
Energy: 0.4195463700248278
Energy: 0.45613421327477427
Energy: 0.39253245265792586
Energy: 0.3942452410050556
Energy: 0.3922973396179771
Energy: 0.3900716597932296
Energy: 0.5361531392261702
Energy: 0.42862603380461617
Energy: 0.5361531392245095
Energy: 0.39118308067959906
Energy: 0.6213757868944336
Energy: 0.3767805933062713
Energy: 0.6213757868944336
Energy: 0.4287526649523942
Energy: 0.8727414798625907
Energy: -0.0698489989029798
Energy: 0.8727414798625907
Energy: 0.3945049250933558
Energy: 0.4797218668688305
Energy: 0.3943717383866487
Energy: 0.4797218668671697
Energy: 0.10245724192167033
Energy: 0.8791381787048691
Energy: 0.3970568348541889
Energy: 0.8791381787048691

minimum gb energy = -0.0698489989029798 eV
minimum distance =  2.19930861496375 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.46166939620818526
Energy: 0.8227491162614811
Energy: -0.7192963095688375
Energy: 0.8227491164041224
Energy: 0.05060572198803964
Energy: 0.8497153295724343
Energy: -0.23189207912774015
Energy: 0.8497153295710422
Energy: 0.42687319672144736
Energy: 0.8396025141053775
Energy: -0.4789337479659218
Energy: 0.8396025141186038
Energy: -0.3135747030606701
Energy: 0.8849518553527949
Energy: -0.496791528547838
Energy: 0.8849518553479222
Energy: -0.28606468550401204
Energy: 0.5163882249773687
Energy: -0.0378960392069672
Energy: 0.5163882330926054
Energy: -0.4608064801020762
Energy: 0.6799624603503504
Energy: -0.2559687067040979
Energy: 0.6799624602174548
Energy: -0.13679304646837281
Energy: 0.9692581899350082
Energy: 0.04861220528022126
Energy: 0.9692581899426655
Energy: -0.33703841277908775
Energy: 0.8451953349123964
Energy: -0.24337761096153526
Energy: 0.845195334922142
Energy: -0.322366522577878
Energy: 0.8252736632194654
Energy: -0.09394017082892427
Energy: 0.8252736632306035
Energy: -0.2915995482479647
Energy: 0.6969384675834076
Energy: -0.20968509400684204
Energy: 0.6969384676613731
Energy: -0.3164188160210856
Energy: 0.6455764311997598
Energy: -0.3836403030842636
Energy: 0.6455764312352621
Energy: 0.11839786215273564
Energy: 0.6943094230322877
Energy: -0.15543212321246447
Energy: 0.6943094230364645
Energy: 0.22080857514903496
Energy: 0.8415903147080491
Energy: -0.4054232738453175
Energy: 0.8415903147101376
Energy: 0.09662854753729558
Energy: 0.7033423501195138
Energy: -0.4690769589564913
Energy: 0.7033423501264752
Energy: -0.011931293439147252
Energy: 0.8153416942996473
Energy: -0.5543791434142163
Energy: 0.8153416943045201
Energy: -0.34512547419679285
Energy: 0.6820747468363224
Energy: -0.3814168005612637
Energy: 0.6820747468237922
Energy: -0.1388829903345049
Energy: 0.9575103559928185
Energy: -0.397575692697378
Energy: 0.957510355995603
Energy: -0.4273621468299917
Energy: 0.8429078835535564
Energy: -0.23917764174329928
Energy: 0.8429078835479875
Energy: -0.12113432577980023
Energy: 0.8218071385616423
Energy: -0.24733939343472897
Energy: 0.8218071385665152
Energy: -0.1435410625405618
Energy: 0.8204221606857143
Energy: -0.24992274946127022
Energy: 0.8204221606947638
Energy: -0.4033220091006421
Energy: 0.8534260238062972
Energy: -0.23934453976465833
Energy: 0.8534260238014244
Energy: -0.1140333396267451
Energy: 0.9473223031477196
Energy: -0.39829551675787145
Energy: 0.9473223031421506
Energy: -0.34741468275441295
Energy: 0.6807420977135538
Energy: -0.40442495845867893
Energy: 0.6807420941544836
Energy: -0.2672876513245434
Energy: 0.7714785982940902
Energy: -0.46551980800193293
Energy: 0.771478598258588
Energy: 0.14648587956622863
Energy: 0.6994093469957321
Energy: -0.44419930683224096
Energy: 0.699409347152992
Energy: 0.23171088408824256
Energy: 0.8552106701104618
Energy: -0.4635194164318763
Energy: 0.8552106701125503
Energy: 0.08065841549590114
Energy: 0.6130356579362756
Energy: -0.45209897474935457
Energy: 0.6130356790269933
Energy: -0.2502974426627307
Energy: 0.6609249119511591
Energy: -0.4616017112452245
Energy: 0.6609249119441979
Energy: -0.24404735327973473
Energy: 0.6781148336847672
Energy: -0.17420174656139395
Energy: 0.6781148356316241
Energy: -0.3020835953987676
Energy: 0.8266926809686664
Energy: 0.28364536180115385
Energy: 0.8266926810966891
Energy: -0.4741048191076762
Energy: 0.8342881398531864
Energy: -0.2128104896276505
Energy: 0.8342881406999844
Energy: -0.14295736953983484
Energy: 0.9748728389427737
Energy: 0.1549850440196832
Energy: 0.974872838809182
Energy: -0.4639236429895937
Energy: 0.7263090712452565
Energy: -0.22501753430772212
Energy: 0.7263090712389912
Energy: -0.12935626740949463
Energy: 0.5007431378102671
Energy: 0.3010562698654384
Energy: 0.5007431378374156
Energy: -0.3272261512701357
Energy: 0.8686575984498285
Energy: -0.22414730143114514
Energy: 0.8686575984511574

minimum gb energy = -0.7192963095688375 eV
minimum distance =  2.19950688501431 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.5899766376679904
Energy: 0.6267918889111977
Energy: -0.31049489207986225
Energy: 0.62679188891
Energy: 0.6436623853472219
Energy: 0.7137799432295954
Energy: 0.32117258739083676
Energy: 0.713779943237979
Energy: 0.3676046744815907
Energy: 0.9769434593830715
Energy: 0.11984331185963522
Energy: 0.9769434593842691
Energy: 0.19320903590562188
Energy: 0.591161318888636
Energy: 0.19808682958694354
Energy: 0.5911613188898337
Energy: 0.19393117391004644
Energy: 0.7093552337699606
Energy: 0.20087820646349835
Energy: 0.7093552337532207
Energy: -0.13746003001746185
Energy: 0.8679978742453783
Energy: 0.30164576415985533
Energy: 0.8679978742453783
Energy: 0.22178159251497795
Energy: 1.0737613020036856
Energy: 0.6562526979712121
Energy: 1.073761302002488
Energy: 0.07309486557832469
Energy: 0.37562587702999545
Energy: 0.37800927996974587
Energy: 0.37562587702640243
Energy: -0.005658470977842754
Energy: 0.6993812200462889
Energy: 0.496200878340741
Energy: 0.6993812200462889
Energy: 0.1063984824786953
Energy: 0.7136670939945109
Energy: 0.3166505071702482
Energy: 0.7136670939957087
Energy: 0.23492139233440143
Energy: 0.9727424881285285
Energy: 0.17749392280839468
Energy: 0.9727424881261332
Energy: 0.459514752937229
Energy: 0.7085132160919186
Energy: 0.1860092451304681
Energy: 0.7085132161134491
Energy: 0.3025605454017943
Energy: 0.8781888751586081
Energy: -0.09098267224222194
Energy: 0.8781888751586081
Energy: 0.6271811453309125
Energy: 1.0725072946653318
Energy: 0.16877159026148844
Energy: 1.0725072946653318
Energy: 0.5813926594178661
Energy: 0.6235693229034488
Energy: 0.0851754188140842
Energy: 0.6235693229046465
Energy: 0.4652092826863942
Energy: 0.6579348462912509
Energy: 0.11069212931864975
Energy: 0.6579348462900532
Energy: 0.3038849749437934
Energy: 0.7183924413265127
Energy: -0.18820972511357686
Energy: 0.7183924413265127
Energy: 0.2001323080518025
Energy: 0.971637068996214
Energy: 0.19881280518850702
Energy: 0.9716370689986094
Energy: 0.23906709400987075
Energy: 0.6615418152351821
Energy: 0.1334576205286759
Energy: 0.6615418152291938
Energy: 0.1317201522968152
Energy: 0.9430642050173859
Energy: 0.31919015481135865
Energy: 0.9430642050173859

minimum gb energy = -0.31049489207986225 eV
minimum distance =  2.20807818089433 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.4598587966308911
Energy: 0.6573722673935182
Energy: -1.08017714287894
Energy: 0.6573722673841661
Energy: 0.2506321638407974
Energy: 0.7398558911546168
Energy: 0.2273674901043202
Energy: 0.7398558911592928
Energy: 0.3963292541248803
Energy: 0.44222060805834523
Energy: -0.4212720987791114
Energy: 0.4422206080630213
Energy: -0.06329042150557058
Energy: 0.7046604575540192
Energy: 0.22821320820426585
Energy: 0.7046604576035428
Energy: 0.2270812510953507
Energy: 0.7936910861393924
Energy: -0.2767087758034292
Energy: 0.793691086137522
Energy: -0.3739342048950341
Energy: 0.7355501263138826
Energy: 0.24158720592043662
Energy: 0.7355501263484427
Energy: 0.21536364016157808
Energy: 0.560103332373687
Energy: -0.09662505577260674
Energy: 0.5601033323531125
Energy: -0.6594665247860143
Energy: 0.6873170805151606
Energy: 0.3974147865969876
Energy: 0.6873170804974341
Energy: 0.20976787590953533
Energy: 0.7779475936303394
Energy: 0.35830103326642787
Energy: 0.7779475936303394
Energy: -0.3093696029900201
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Energy: 0.29151924159247666
Energy: 0.7891287087460952
Energy: 0.21386108009497012
Energy: 0.5471542362415216
Energy: 0.12537634554711585
Energy: 0.5471542362424568
Energy: -0.44448082205667405
Energy: 0.7796787771541822
Energy: 0.3998006787436075
Energy: 0.7796787771532471
Energy: 0.2133123519289671
Energy: 0.6863285515258357
Energy: -0.06343631741423474
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Energy: 0.2897966764845643
Energy: 0.7317545968713973
Energy: 0.2421551930769311
Energy: 0.7317545968667213
Energy: 0.23203638830521392
Energy: 0.6640389780112734
Energy: -0.3677403512659106
Energy: 0.6640389780103381
Energy: -0.12980383014656843
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Energy: 0.20481377763683353
Energy: 0.8017014136434423
Energy: 0.38622127887363034
Energy: 0.68052421373066
Energy: -0.7533372317069438
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Energy: 0.2575958566485119
Energy: 0.7417185825996999
Energy: 0.22746855043660802
Energy: 0.7417185830409477
Energy: 0.47091639977723865
Energy: 0.7845154908865176
Energy: -0.5286539513506948
Energy: 0.7845154908865176
Energy: 0.29328923216419683
Energy: 0.7766494623334281
Energy: 0.20380424811143294
Energy: 0.7766494622436908
Energy: 0.38357026917598375
Energy: 0.7952883379545052
Energy: -0.47713124879140156
Energy: 0.7952883379516995
Energy: -0.07353616549230607
Energy: 0.6771706613951656
Energy: 0.2144543847046524
Energy: 0.6771706613942304
Energy: 0.20400294369523309
Energy: 0.7793517582828727
Energy: 0.1372744482545049
Energy: 0.7793517582847431
Energy: -0.3523988491162243
Energy: 0.7876205577154818
Energy: 0.19237964509010932
Energy: 0.7876205577098706
Energy: -0.3129446197336924
Energy: 0.8025033329672244
Energy: 0.07205496662065045
Energy: 0.8025033329625485
Energy: -0.15111826763591316
Energy: 0.6961293553933852
Energy: 0.4209750013229932
Energy: 0.6961293553915147

minimum gb energy = -1.08017714287894 eV
minimum distance =  2.19103147064119 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.1697771165720542
Energy: 0.5708215519448092
Energy: -1.8226487057187781
Energy: 0.5708215519425089
Energy: -0.2625950996212329
Energy: 0.6438774106225785
Energy: -0.4681921898024531
Energy: 0.643877410624112
Energy: -0.1977674352844015
Energy: 0.5385024922184187
Energy: -1.4088939772828624
Energy: 0.5385024922245524
Energy: -0.49206469413228293
Energy: 0.5978235020707277
Energy: -0.42277057332032414
Energy: 0.5978235020707277
Energy: -0.09222639072937919
Energy: 0.671243946390882
Energy: -0.5512239794150307
Energy: 0.6712439463947156
Energy: -0.7098446218171043
Energy: 0.6068425894531309
Energy: -0.4885819954959698
Energy: 0.6068425894485306
Energy: -0.32766310402682813
Energy: 0.5669555017182486
Energy: -0.21523725778239844
Energy: 0.5669555016983489
Energy: -0.42815090579745646
Energy: 0.43773264813082685
Energy: -0.4122943844908494
Energy: 0.4377326481185594
Energy: -0.6178676211391698
Energy: -0.0017903443168941207
Energy: -0.4964046280286698
Energy: -0.0017882899259829429
Energy: -0.4283344592611294
Energy: 0.6140935050841897
Energy: -0.19995483591851043
Energy: 0.6140935050849565
Energy: -0.6806337736275432
Energy: 0.6481012022321126
Energy: -0.2482571857501617
Energy: 0.648101202231346
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Energy: 0.2723690008577414
Energy: 0.6166695406621515
Energy: -0.5172774683956328
Energy: 0.06046457424268952
Energy: 0.002528544448234276
Energy: 0.04526607073890085
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Energy: 0.0695682249561383
Energy: -0.28123867683615766
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Energy: -0.4991182870401532
Energy: 0.5556308268197876
Energy: -0.22653827962197198
Energy: -0.01475271373683611
Energy: -0.4643119768030289
Energy: -0.014779005610564867
Energy: -0.43297794235201803
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Energy: -0.8208030405782281
Energy: 0.6129491683070782
Energy: -0.15156287465633186
Energy: 0.6310334877366064
Energy: -0.5910960765989832
Energy: 0.6310334872308174
Energy: -0.3618072512579042
Energy: 0.4272420535075608
Energy: -0.5356638710872839
Energy: 0.4272420535106276
Energy: 0.07669742905994208
Energy: -0.01958770479702237
Energy: -0.6094700714994783
Energy: -0.01961601568417424
Energy: -0.041742707508363286
Energy: 0.5948381137471559
Energy: -0.7676562528980455
Energy: 0.5948381146989997
Energy: -0.23720629779404276
Energy: 0.38996817345485035
Energy: -0.4625738313285546
Energy: 0.38996816309190896
Energy: 0.3770251158832004
Energy: 0.6108894120730782
Energy: -0.5235798766288431
Energy: 0.6108894120776784
Energy: -0.2354776193799347
Energy: 0.6766255169267184
Energy: -0.5703300392954976
Energy: 0.6766255169267184
Energy: -0.03846878598303647
Energy: 0.6398160044638617
Energy: -0.9285794900589274
Energy: 0.6398160044623282
Energy: -0.47150051850446856
Energy: 0.6469804818934135
Energy: -0.4690363654767518
Energy: 0.6469804818926469
Energy: -0.4232323706721404
Energy: 0.6165562535296794
Energy: -0.28384183400047935
Energy: 0.6165562535273791
Energy: -0.19933996267181597
Energy: 0.6339219596363392
Energy: -0.6366226525830694
Energy: 0.6339219596386393
Energy: -0.04965364160702069
Energy: 0.6385056758873905
Energy: -0.173776394314431
Energy: 0.6385056758927575
Energy: -0.4852264504554503
Energy: 0.637229102135028
Energy: -0.41016281721544096
Energy: 0.6372291021288944
Energy: -0.5116081510941217
Energy: 0.30309411608628706
Energy: 0.06798393386442031
Energy: 0.3030941509426169
Energy: -0.46417000961139143
Energy: 0.6343385369977126
Energy: -0.1928806308649373
Energy: 0.6343385370015113

minimum gb energy = -1.8226487057187781 eV
minimum distance =  2.20908953419835 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.11337289880788023
Energy: 0.527520299331057
Energy: -1.5693789706494568
Energy: 0.5275202993245619
Energy: -0.628255779431961
Energy: -0.6817805269345836
Energy: -0.7687927132733865
Energy: -0.68900874008026
Energy: -0.5903193763732878
Energy: 0.47492096218802593
Energy: -1.443293821071666
Energy: 0.4749209621899745
Energy: -0.791851947133923
Energy: -0.9712493557290992
Energy: -0.869419753553508
Energy: -0.8324015971677565
Energy: -1.0333953610827802
Energy: -0.49267622687097534
Energy: -1.9089627935104518
Energy: -0.48960874708468666
Energy: -0.9027785806908036
Energy: -0.6867858925778038
Energy: -0.34097621349026314
Energy: -0.6868018084216633
Energy: -0.8334799435550141
Energy: 0.4875929203404252
Energy: -1.0287600003996824
Energy: 0.4875929203430232
Energy: -1.0175101827453814
Energy: 0.4860936570160641
Energy: -0.879720659771972
Energy: 0.4860936570219098
Energy: -1.32754744280671
Energy: -0.3590193096497492
Energy: -1.0591206627768688
Energy: -0.35994348830835593
Energy: -1.3809402208540595
Energy: -0.68582581895566
Energy: -0.960832535392023
Energy: -0.6857777621772607
Energy: -0.8225259422800434
Energy: 0.2347078212947606
Energy: -0.6690249615706455
Energy: 0.23470782363585493
Energy: -1.1404077088074895
Energy: -0.8251457819763786
Energy: -0.7224532664623421
Energy: -0.9458306381359389
Energy: -1.3464662830415026
Energy: 0.5272647674620891
Energy: -0.5810982988982857
Energy: 0.5272647674653367
Energy: -1.2035332862397432
Energy: -0.6620526807118795
Energy: 0.11013351827003744
Energy: -0.5364676522588476
Energy: -0.8228336570679999
Energy: -0.7375770211812938
Energy: -0.5759790718892347
Energy: -0.6700377407672842
Energy: -1.1713176499337636
Energy: 0.5470124951671743
Energy: -0.7601045046120195
Energy: 0.5470124951704219
Energy: -1.2385860541589062
Energy: 0.5419296825373182
Energy: -0.7163393664083496
Energy: 0.5419296825360191
Energy: -1.0680516353000145
Energy: -0.8082225365672503
Energy: -0.8558453153297636
Energy: -0.6137190001912923
Energy: -0.745139906621663
Energy: 0.4996127689481595
Energy: -0.8447488499070429
Energy: 0.499612768948809
Energy: -1.1462527523261443
Energy: -1.028973164521563
Energy: -0.7498689819790344
Energy: -1.0523472464739887
Energy: -0.8104029238029828
Energy: 0.520727082874496
Energy: -0.9214860291237711
Energy: 0.5207270828576087
Energy: -0.5770827536959683
Energy: -0.6782939576279762
Energy: -1.321520861072837
Energy: -0.6768947077061428
Energy: -0.7624123528683706
Energy: 0.5167631324411739
Energy: -1.2300685964991047
Energy: 0.5167631324379263
Energy: -0.7355402393917889
Energy: 0.5246395055972873
Energy: -0.8231180674582046
Energy: 0.5246395055953389
Energy: -0.003959742918743756
Energy: 0.07413959749167598
Energy: -1.6060024988887982
Energy: 0.07385698398884599
Energy: -0.4453954615849019
Energy: -0.31957614042847254
Energy: -1.230448059657999
Energy: -0.2741366924106284
Energy: 0.10923548672547068
Energy: -0.6082057912820803
Energy: -1.2329099715287244
Energy: -0.5502868024103555
Energy: -0.5794889234029745
Energy: 0.5266322974374806
Energy: -0.7141888755633179
Energy: 0.5266322974322845
Energy: -0.006060228816118146
Energy: 0.5951880851325366
Energy: -1.6539984259537441
Energy: 0.5951880851325366
Energy: -0.5647416408217167
Energy: 0.5392866224306984
Energy: -1.2563150022282887
Energy: 0.5392866224312888
Energy: -0.7694773845182971
Energy: -0.5760592189228078
Energy: -1.0182867284231925
Energy: -0.5772727068361848
Energy: -0.8811970929895989
Energy: -0.49502432484119063
Energy: -0.7603802444366117
Energy: -0.49683755360229337
Energy: -1.2665747585668894
Energy: -0.18871904378120863
Energy: -1.0239300442623902
Energy: -0.19385124937465506
Energy: -1.0979686569816824
Energy: -0.3695449606039646
Energy: -1.2567187200133767
Energy: -0.20344608262703467
Energy: -1.6079951814562532
Energy: 0.4888908453946134
Energy: -0.8235915580400922
Energy: 0.4888908452725634
Energy: -1.4217557723332936
Energy: -0.33064353163589383
Energy: -0.21328847303656429
Energy: -0.4444646170745012
Energy: -0.8801667234875314
Energy: 0.14358269630213225
Energy: -0.7659691242039923
Energy: 0.14359361340282495

minimum gb energy = -1.9089627935104518 eV
minimum distance =  2.2315907675161 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.5837641949263103
Energy: 0.46737411341802537
Energy: -1.010207158264575
Energy: 0.4673741134219687
Energy: 0.46381414402920795
Energy: 0.28730090175758966
Energy: -0.18502552735287278
Energy: 0.2873005251239048
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Energy: 0.4986018302657932
Energy: -0.5930744360954266
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Energy: -0.06406907045190771
Energy: 0.23568068310034818
Energy: -0.1831675135171572
Energy: 0.23570833197634186
Energy: 0.120337044771077
Energy: 0.4113307046419295
Energy: -0.5193043383713298
Energy: 0.4113307046424929
Energy: -0.023264930295870234
Energy: 0.2237821449997788
Energy: -0.16979730437865298
Energy: 0.2202836533838385
Energy: 0.008431560518979178
Energy: 0.47820071256135
Energy: -0.35762965047618483
Energy: 0.4782007122584081
Energy: -0.1377667946863293
Energy: 0.26570814169687723
Energy: 0.06910467701071481
Energy: 0.26570808774735954
Energy: 0.021615109213087284
Energy: 0.4357813462447819
Energy: -0.4717021377023721
Energy: 0.4357813462436553
Energy: -0.35698009598874203
Energy: 0.4682558836560866
Energy: 0.028414974735553204
Energy: 0.4682558836555233
Energy: -0.14377848898621884
Energy: 0.28064654271825773
Energy: -0.12106676041914827
Energy: 0.2806578604227335
Energy: -0.6131245817003882
Energy: 0.2664027982058258
Energy: 0.16741280677337333
Energy: 0.26640121412812867
Energy: 0.010025246471029333
Energy: 0.43250528627292484
Energy: 0.0181444166767007
Energy: 0.4325052863742725
Energy: -1.032773708836816
Energy: 0.4610688121131122
Energy: 0.09985872568050151
Energy: 0.4610688121086055
Energy: -0.061903900092767326
Energy: 0.47162980550136385
Energy: 0.2918940290486758
Energy: 0.4716298055053072
Energy: -0.5015087101599547
Energy: 0.4630972148712733
Energy: 0.4086751203594051
Energy: 0.46309721486902006
Energy: 0.020129530828892694
Energy: 0.46028059155026185
Energy: 0.2787937635724424
Energy: 0.46028059155195183
Energy: -0.7684745357350341
Energy: 0.43301612869947775
Energy: 0.1275663884092359
Energy: 0.43301612869328115
Energy: -0.017648153856282038
Energy: 0.29493577264449816
Energy: 0.2374724392312309
Energy: 0.2949361041132119
Energy: -0.46892634027868296
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Energy: 0.1605976234082987
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Energy: -0.16911633989249653
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Energy: -0.32402062081723887
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Energy: 0.2968263841059926
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Energy: 0.2968263685239586
Energy: 0.05944674739641619
Energy: 0.29977306469166276
Energy: -0.5904049307019269
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Energy: 0.3574864863370302
Energy: 0.4795173151973763
Energy: 0.07108836520338584
Energy: 0.4795173151962497
Energy: 0.127396164428879
Energy: 0.45695004720221005
Energy: -1.0450333221541652
Energy: 0.4569500467939773
Energy: 0.38811647023508095
Energy: 0.23634192455527908
Energy: -0.11147283287186543
Energy: 0.25656138015806307
Energy: 0.5831296436526798
Energy: 0.39737684188776656
Energy: -0.5618540709804487
Energy: 0.3973768419615112
Energy: 0.47129743951374414
Energy: 0.4538191105734267
Energy: 0.06938693810632578
Energy: 0.4538191103994355
Energy: 0.1038637783753363
Energy: 0.46217690612232903
Energy: -1.0854841536971762
Energy: 0.462176906124019
Energy: 0.38355979237213406
Energy: 0.472188888707803
Energy: -0.11034419461365798
Energy: 0.47218888834686407
Energy: 0.19202528758107648
Energy: 0.34644936475106375
Energy: -0.33529935603249844
Energy: 0.34646365445863536
Energy: -0.000882578666280906
Energy: 0.4804471585113198
Energy: 0.06937514943929263
Energy: 0.480447158515263
Energy: -0.1574090166223214
Energy: 0.30499220370276514
Energy: -0.33004206853814183
Energy: 0.30499220373600144
Energy: 0.03225569490780182
Energy: 0.4610996807612037
Energy: -0.13817452058492055
Energy: 0.4610996807657104
Energy: -0.009951235229196614
Energy: 0.4415287015676126
Energy: -0.039883086177093484
Energy: 0.44152870156535934
Energy: -0.3142462779855105
Energy: 0.3488718396418396
Energy: -0.1313077457970179
Energy: 0.34887200097743215
Energy: -0.10247633780626333
Energy: 0.456503168175397
Energy: 0.22737795561666393
Energy: 0.4565031683246274
Energy: -0.7194885313352988
Energy: 0.18506040341825494
Energy: 0.1881740590728925
Energy: 0.18504346694754348
Energy: -0.04718394025214526
Energy: 0.48769074279564895
Energy: 0.3496162333757156
Energy: 0.4876907427962122

minimum gb energy = -1.0854841536971762 eV
minimum distance =  2.24210558764639 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.017065263595921594
Energy: 0.017758671970220918
Energy: 0.4546230312778308
Energy: 0.01775867197147197
Energy: 0.45352377531576626
Energy: 0.08238655015381212
Energy: -5.340119185762898
Energy: 0.08238655015253701
Energy: 0.017065263595921594
Energy: 0.017758671970220918
Energy: 0.4546370472803032
Energy: 0.01775867197108703
Energy: 0.4535237753140821
Energy: 0.08238655015381212
Energy: -5.340119185762466
Energy: 0.08238655015422112
Energy: 0.017065263595921594
Energy: 0.017758671970220918
Energy: 0.45461037900992035
Energy: 0.017758671970653974
Energy: 0.4535237753166083
Energy: 0.08238655015381212
Energy: -5.340119185762898
Energy: 0.08238655015337905

minimum gb energy = -5.340119185762898 eV
minimum distance =  2.55705287235946 Angstroms
sigma value = 1