Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650763273239
cohesive_energy=3.360264280667934
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.3418986781399995e-19, 4.50112299202692e-19, 4.641089142773159e-19, 4.76429652592776e-19, 4.872683775217859e-19, 4.959409596416279e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.010353198433125294
Energy: 0.010812796397951456
Energy: 0.493447070487002
Energy: 0.05010198050552087
Energy: 0.010812796397951456
Energy: 0.485707994956709
Energy: 0.05010198050552087
Energy: 0.48570799495721007
Energy: 0.493447070487002
Energy: 0.05010198050552087
Energy: 0.010353198433125294
Energy: 0.010812796397951456
Energy: 0.05010198050552087
Energy: 0.48570799495623584
Energy: 0.010812796397951456
Energy: 0.48570799495721007

minimum gb energy = 0.010353198433125294 eV
minimum distance =  2.73407179235933 Angstroms
sigma value = 1


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

Energy: 0.5761669881994588
Energy: 0.5245636622875776
Energy: 0.5679830970862879
Energy: 0.5851508461065534
Energy: 0.5351700296251787
Energy: 0.5580347392420911
Energy: 0.5302370768598901
Energy: 0.5580347392420911
Energy: 0.5675999171558467
Energy: 0.5707256959514142
Energy: 0.5300193740273491
Energy: 0.5732726325741729
Energy: 0.5300395117888788
Energy: 0.5502351561043207
Energy: 0.5306127551387018
Energy: 0.5502351561049285
Energy: 0.5396865456921858
Energy: 0.5494321053952316
Energy: 0.5332949438819885
Energy: 0.5494321053958393
Energy: 0.5302151309499903
Energy: 0.5639695201879474
Energy: 0.5316565922054722
Energy: 0.5639695201879474
Energy: 0.5432600134487208
Energy: 0.5658136053410765
Energy: 0.5411467386759149
Energy: 0.5658136053410765
Energy: 0.543534158440147
Energy: 0.564342617884442
Energy: 0.5450901535880577
Energy: 0.5643426178838343
Energy: 0.5440817346865637
Energy: 0.5525621249492976
Energy: 0.545115368674555
Energy: 0.5525621249499052
Energy: 0.5582095361452418
Energy: 0.5530090902922636
Energy: 0.5449595555325042
Energy: 0.5530090902922636
Energy: 0.5432043873294927
Energy: 0.5525514087782433
Energy: 0.5457879061163305
Energy: 0.5525514087776355
Energy: 0.5434566449302944
Energy: 0.55288953568998
Energy: 0.5623152321374488
Energy: 0.5528895356905877
Energy: 0.5455073391116251
Energy: 0.5647215497975592
Energy: 0.5354960660532928
Energy: 0.5647215497981668
Energy: 0.5301756332176678
Energy: 0.563316417227919
Energy: 0.5474481237112622
Energy: 0.563316417227919
Energy: 0.5353357427212198
Energy: 0.5499037505672932
Energy: 0.5450474706953546
Energy: 0.5499037505672932
Energy: 0.52362750227578
Energy: 0.5500950914800046
Energy: 0.5302537858698915
Energy: 0.5500950914806122
Energy: 0.5672488015388952
Energy: 0.5729067785901817
Energy: 0.5246678569203457
Energy: 0.5729067785670908
Energy: 0.530741247407399
Energy: 0.5495424353785199
Energy: 0.5351039344957552
Energy: 0.5495424353779123
Energy: 0.5307825649704909
Energy: 0.5708110711178451
Energy: 0.5684897924984766
Energy: 0.5708117001910242
Energy: 0.5292295003960888
Energy: 0.5496459241042639
Energy: 0.5297806618327859
Energy: 0.5496459241048716
Energy: 0.5325442760327739
Energy: 0.5493107618990203
Energy: 0.5402150484277234
Energy: 0.549310761899628
Energy: 0.5320298450445404
Energy: 0.549717043878149
Energy: 0.5299174967445921
Energy: 0.5497170438775413
Energy: 0.5411084161220174
Energy: 0.5650858702848272
Energy: 0.5428375719352375
Energy: 0.5650858702854348
Energy: 0.5470287860384011
Energy: 0.5489853323557574
Energy: 0.5415754047098315
Energy: 0.5489853323557574
Energy: 0.5511855693245394
Energy: 0.5530913625531395
Energy: 0.5444582149702162
Energy: 0.5530913625525318
Energy: 0.5455234171643649
Energy: 0.5537361444309578
Energy: 0.5594379071363335
Energy: 0.5537361444309578
Energy: 0.5453732467347565
Energy: 0.5533004167203565
Energy: 0.5433387958188153
Energy: 0.5533004167203565
Energy: 0.5611138498645075
Energy: 0.5517753698665894
Energy: 0.5404784882291529
Energy: 0.5517753698659816
Energy: 0.536182375068842
Energy: 0.5646957479827963
Energy: 0.541003525540189
Energy: 0.5646957479821887
Energy: 0.5463742303765893
Energy: 0.5635249435975824
Energy: 0.5359022637748004
Energy: 0.5635249435969747
Energy: 0.5331630412110242
Energy: 0.5503066030243623
Energy: 0.5349970270003387
Energy: 0.55030660302497
Energy: 0.5307677340591598
Energy: 0.5503237641076737
Energy: 0.523515071636793
Energy: 0.5503237641076737
Energy: 0.5236288053841293
Energy: 0.5309217737961296
Energy: 0.5302795935155238
Energy: 0.5309217737961296

minimum gb energy = 0.523515071636793 eV
minimum distance =  2.52972062592199 Angstroms
sigma value = 1


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

Energy: 0.6103756687999713
Energy: 0.5469269334757451
Energy: 0.5930680732005101
Energy: 0.5979934635656916
Energy: 0.5595316430873014
Energy: 0.5825231834411083
Energy: 0.5536022303611158
Energy: 0.5825231834418011
Energy: 0.5932193739345102
Energy: 0.6101062980060351
Energy: 0.5531110975127528
Energy: 0.6101062980074208
Energy: 0.5525017477680926
Energy: 0.5748416730309179
Energy: 0.5535774808667051
Energy: 0.5748416730309179
Energy: 0.5537387664205469
Energy: 0.5750577900900193
Energy: 0.5538192988472075
Energy: 0.5750577900893264
Energy: 0.5530049820131112
Energy: 0.5929277273574783
Energy: 0.5552062484210887
Energy: 0.5929277273554314
Energy: 0.5665665082777671
Energy: 0.593802040145368
Energy: 0.5660058444745133
Energy: 0.5938020401460608
Energy: 0.5678590799510824
Energy: 0.588352245813737
Energy: 0.5692569119905304
Energy: 0.5883522458144299
Energy: 0.5660404801383371
Energy: 0.583698670363323
Energy: 0.5695698760099732
Energy: 0.583698670363323
Energy: 0.567502558170655
Energy: 0.5857062790521544
Energy: 0.5673247192839228
Energy: 0.5857062790521544
Energy: 0.5598016883667051
Energy: 0.5935810330111216
Energy: 0.5662649595888473
Energy: 0.5935810330097361
Energy: 0.5740010362792028
Energy: 0.5926755821362787
Energy: 0.5533578782177434
Energy: 0.5926755821355859
Energy: 0.5550622573720382
Energy: 0.5747228934113391
Energy: 0.559048666067478
Energy: 0.5747228934127249
Energy: 0.5538509974138994
Energy: 0.5746648509218316
Energy: 0.5451540111031051
Energy: 0.5746648509232173
Energy: 0.5451321478155551
Energy: 0.5528010586379161
Energy: 0.5928203199100788
Energy: 0.5528010586379161
Energy: 0.5596992398457901
Energy: 0.5745570805951049
Energy: 0.5535630572037742
Energy: 0.574557080594412
Energy: 0.5953543672016246
Energy: 0.6059135807032869
Energy: 0.5539043019822878
Energy: 0.6059135809373691
Energy: 0.5528766356366036
Energy: 0.5533710414339748
Energy: 0.5519005748044
Energy: 0.5533710414325892
Energy: 0.5542034144055957
Energy: 0.5753412444147337
Energy: 0.5536981534572868
Energy: 0.5753412444147337
Energy: 0.5532220749985775
Energy: 0.5745542380433794
Energy: 0.5559158828680876
Energy: 0.574554238044765
Energy: 0.5678456096486433
Energy: 0.5944585649572124
Energy: 0.5658218984337992
Energy: 0.5944585649565196
Energy: 0.5670152806892386
Energy: 0.5925003930914579
Energy: 0.5676975769192651
Energy: 0.5925003930907651
Energy: 0.5661820904267091
Energy: 0.5841722405214294
Energy: 0.5691866251336863
Energy: 0.5841722405200437
Energy: 0.5670170370718224
Energy: 0.5839846426340718
Energy: 0.5685751481473438
Energy: 0.5839846426361502
Energy: 0.5596929291239515
Energy: 0.593874098938435
Energy: 0.5669835731439966
Energy: 0.5938740989405136
Energy: 0.561532668190521
Energy: 0.5926481400962043
Energy: 0.5539477662192556
Energy: 0.5926481400962043
Energy: 0.5567940946100671
Energy: 0.5752663553061497
Energy: 0.5591357070766098
Energy: 0.575266355304764
Energy: 0.5542565648602555
Energy: 0.5750496272159272
Energy: 0.5449721984704555
Energy: 0.5750496272166199
Energy: 0.5448307379366474
Energy: 0.5537230130323832
Energy: 0.5543056617480068
Energy: 0.5537230130303049

minimum gb energy = 0.5448307379366474 eV
minimum distance =  2.5427594356547 Angstroms
sigma value = 25


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

Energy: 0.6340600984898712
Energy: 0.5699095567860004
Energy: 0.6220259691064762
Energy: 0.6293676540686874
Energy: 0.5856432052272619
Energy: 0.6082149902622953
Energy: 0.5785930155095335
Energy: 0.6082149902622953
Energy: 0.621960043757132
Energy: 0.6225606497858656
Energy: 0.6242458030809506
Energy: 0.6225606497858656
Energy: 0.5769663992117421
Energy: 0.6030776258003251
Energy: 0.578641914458158
Energy: 0.6030776258011306
Energy: 0.5782371030602992
Energy: 0.6028166726142062
Energy: 0.578895753679725
Energy: 0.6028166726142062
Energy: 0.5773194763578093
Energy: 0.6333437193625359
Energy: 0.5804099438199709
Energy: 0.6333437193625359
Energy: 0.5886545130519035
Energy: 0.6262307433853636
Energy: 0.5869423528766493
Energy: 0.6262307433845581
Energy: 0.587940908881069
Energy: 0.6104110153227641
Energy: 0.5732250907153039
Energy: 0.6104110153227641
Energy: 0.5883532154113125
Energy: 0.6261686567366299
Energy: 0.5855556828423655
Energy: 0.6261686567366299
Energy: 0.5771753380005329
Energy: 0.6258039003889098
Energy: 0.5792618664189024
Energy: 0.6258039003889098
Energy: 0.5666322360530213
Energy: 0.6027095112596994
Energy: 0.5805849446667084
Energy: 0.602709511258894
Energy: 0.5665296160580521
Energy: 0.6027297973854435
Energy: 0.5785320922274042
Energy: 0.602729797386249
Energy: 0.6219224063231068
Energy: 0.5764887326847956
Energy: 0.5668245858418866
Energy: 0.5764887326847956
Energy: 0.5788059581693276
Energy: 0.6032367079081083
Energy: 0.5858503167484594
Energy: 0.6032367079081083
Energy: 0.577446336860942
Energy: 0.622260758513717
Energy: 0.6234153893070702
Energy: 0.622260758513717
Energy: 0.5757046845095415
Energy: 0.577283593575002
Energy: 0.5767487671975604
Energy: 0.577283593575002
Energy: 0.5786056762792339
Energy: 0.602826232907375
Energy: 0.5780304380949612
Energy: 0.6028262329081804
Energy: 0.57962881904764
Energy: 0.6026613487125168
Energy: 0.5777663728712429
Energy: 0.6026613487125168
Energy: 0.5876099015231422
Energy: 0.6275006544692073
Energy: 0.5767027522070619
Energy: 0.6275006544692073
Energy: 0.5734244378481096
Energy: 0.625605476912683
Energy: 0.5892637532215872
Energy: 0.625605476912683
Energy: 0.5854129953699282
Energy: 0.6274158810562688
Energy: 0.5880775086738513
Energy: 0.6274158810562688
Energy: 0.585475420505713
Energy: 0.6263312158131784
Energy: 0.5788115394447427
Energy: 0.6263312158131784
Energy: 0.5841841947237477
Energy: 0.6031229308688058
Energy: 0.5665874067964203
Energy: 0.6031229308688058
Energy: 0.5789375349960277
Energy: 0.6033244841339436
Energy: 0.5665191560494393
Energy: 0.6033244841339436
Energy: 0.566682033859596
Energy: 0.5767415723882711
Energy: 0.5766228377740064
Energy: 0.5767415723882711

minimum gb energy = 0.5665191560494393 eV
minimum distance =  2.54764487195767 Angstroms
sigma value = 9


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

Energy: 0.6863724751461592
Energy: 0.6273295823205416
Energy: 0.6652559449165664
Energy: 0.6649191956797663
Energy: 0.6031473568950695
Energy: 0.6428147426867316
Energy: 0.6110490266339538
Energy: 0.6428147426876925
Energy: 0.6629261732941114
Energy: 0.6625900510348294
Energy: 0.6209014568702488
Energy: 0.6625900510338687
Energy: 0.6019598543563354
Energy: 0.6614399592980013
Energy: 0.6110221072425335
Energy: 0.6614399592980013
Energy: 0.5988918984822396
Energy: 0.6451828294528789
Energy: 0.6110686169718187
Energy: 0.6451828294538396
Energy: 0.6021984840142037
Energy: 0.6869631610042609
Energy: 0.6119945138797372
Energy: 0.6869631610042609
Energy: 0.6032683840395499
Energy: 0.6626126599784302
Energy: 0.6109410323973551
Energy: 0.6626126599784302
Energy: 0.6327824101182332
Energy: 0.6431914544458517
Energy: 0.6433784424019461
Energy: 0.6431914544458517
Energy: 0.6305053899924938
Energy: 0.693906478797107
Energy: 0.6162559451328692
Energy: 0.693906478797107
Energy: 0.5948039910536752
Energy: 0.6574292262580906
Energy: 0.6161352847457245
Energy: 0.6574292262590515
Energy: 0.584370490776208
Energy: 0.58455176962402
Energy: 0.5967215642284248
Energy: 0.58455176962402
Energy: 0.594537652434627
Energy: 0.5846306662312752
Energy: 0.5964767161071215
Energy: 0.5846306662312752
Energy: 0.6895807570800635
Energy: 0.7088199086582214
Energy: 0.6209298229785681
Energy: 0.7088199087552168
Energy: 0.6328388074037229
Energy: 0.5964319418960804
Energy: 0.6214094492836066
Energy: 0.5964319418970413
Energy: 0.5986974979254082
Energy: 0.6240432623380542
Energy: 0.6147917378356746
Energy: 0.6240432623380542
Energy: 0.6072091397984873
Energy: 0.6208001338778026
Energy: 0.6101800761464031
Energy: 0.6208001338778026
Energy: 0.6037891654484404
Energy: 0.6836145997458856
Energy: 0.6103804534717645
Energy: 0.6836145997458856
Energy: 0.6037743615063927
Energy: 0.6839203083164336
Energy: 0.6114370895060444
Energy: 0.6839203083164336
Energy: 0.6073825946698442
Energy: 0.642747100409602
Energy: 0.6163593053477
Energy: 0.642747100409602
Energy: 0.6066675224508159
Energy: 0.6427700209380608
Energy: 0.6162527985173472
Energy: 0.6427700209380608
Energy: 0.6171670109521579
Energy: 0.6063661489401015
Energy: 0.6576476248722496
Energy: 0.6063661489401015

minimum gb energy = 0.584370490776208 eV
minimum distance =  2.55812631162647 Angstroms
sigma value = 25


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

Energy: 0.7026509950054711
Energy: 0.5943591296658668
Energy: 0.6726132026934363
Energy: 0.6738576704274506
Energy: 0.588620780689715
Energy: 0.6247261510430474
Energy: 0.6031890280746619
Energy: 0.6247261510418592
Energy: 0.6721658630544232
Energy: 0.6724968615035358
Energy: 0.589262500740832
Energy: 0.6724968615035358
Energy: 0.5916080189497446
Energy: 0.6261333042064013
Energy: 0.6037021961669402
Energy: 0.6261333042064013
Energy: 0.6015671228962597
Energy: 0.6567052188036684
Energy: 0.604001625309167
Energy: 0.6567052188024801
Energy: 0.5905224611173027
Energy: 0.6568367870508827
Energy: 0.6028850787907127
Energy: 0.6568367870508827
Energy: 0.5882430410934897
Energy: 0.6568531555205654
Energy: 0.6030073641924237
Energy: 0.6568531555205654
Energy: 0.5882385174944444
Energy: 0.6561842634513415
Energy: 0.6033787830186215
Energy: 0.6561842634513415
Energy: 0.6716068641477059
Energy: 0.5907677999614261
Energy: 0.5878415936879203
Energy: 0.5907677999602381
Energy: 0.6039364752134139
Energy: 0.5907027987742165
Energy: 0.5885032802652796
Energy: 0.5907027987742165
Energy: 0.589286463857028
Energy: 0.6723088687121894
Energy: 0.6757851831747723
Energy: 0.6723088687121894
Energy: 0.5917162911006283
Energy: 0.6258412167494402
Energy: 0.5904386718876006
Energy: 0.6258412167506282
Energy: 0.6025134689139693
Energy: 0.6564828573071437
Energy: 0.6002486044657983
Energy: 0.6564828573059555
Energy: 0.6033089256000372
Energy: 0.6559201499746652
Energy: 0.5915147856689086
Energy: 0.6559201499746652
Energy: 0.6023322207782336
Energy: 0.6558545173676892
Energy: 0.5882739830650019
Energy: 0.6558545173665009
Energy: 0.6025080028059348
Energy: 0.6572155802327072
Energy: 0.5889498811265343
Energy: 0.6572155802338954
Energy: 0.5907329941975814
Energy: 0.5906101793178449
Energy: 0.5920107928644546
Energy: 0.5906101793166566

minimum gb energy = 0.5878415936879203 eV
minimum distance =  2.62949301455929 Angstroms
sigma value = 17


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

Energy: 1.0030730565786756
Energy: 0.6961331661268838
Energy: 0.7368174897887391
Energy: 0.7393378010375632
Energy: 0.5992053336698033
Energy: 0.6336902839575228
Energy: 0.6380812882133476
Energy: 0.633690283955504
Energy: 0.6490016781397284
Energy: 0.6468648072497306
Energy: 0.674488649125195
Energy: 0.6468648075732601
Energy: 0.6375872295691519
Energy: 0.6575041904597052
Energy: 0.6374789241303214
Energy: 0.6575041904597052
Energy: 0.6370946130625952
Energy: 0.6860507201141219
Energy: 0.5991318836053379
Energy: 0.6860507201141219
Energy: 0.638311792226601
Energy: 0.6850312064014759
Energy: 0.6371717018033463
Energy: 0.6850312064014759
Energy: 0.6735632425147328
Energy: 0.636734601585692
Energy: 0.6472421906047184
Energy: 0.636734601585019
Energy: 0.6792493861773924
Energy: 0.6374320218351069
Energy: 0.6179293412812182
Energy: 0.6374320218351069
Energy: 0.738985415029597
Energy: 0.7357300522941328
Energy: 0.6743161977735358
Energy: 0.735730052292787
Energy: 0.7089677850763615
Energy: 0.6707955957541663
Energy: 0.6387450369591924
Energy: 0.6707955957541663
Energy: 0.636458661111746
Energy: 0.6305825335123759
Energy: 0.6084703004069203
Energy: 0.6305825335117029
Energy: 0.6765709439281644
Energy: 0.6303285294063403
Energy: 0.6175792184050973
Energy: 0.6303285294063403
Energy: 0.6744029892886011
Energy: 0.6299987216732384
Energy: 0.6291549106142714
Energy: 0.6299987216739116
Energy: 0.6758300534816077
Energy: 0.6325073357574648
Energy: 0.6090039371909235
Energy: 0.6325073357581377
Energy: 0.709793019969062
Energy: 0.6745934155061913
Energy: 0.6732006555006839
Energy: 0.6745934155061913
Energy: 0.6673900600565014
Energy: 0.6751411584542198
Energy: 0.6732477743617452
Energy: 0.6751411584542198
Energy: 0.6743009451003721
Energy: 0.6377383185800624
Energy: 0.6088841355985645
Energy: 0.6377383185800624
Energy: 0.6743552245663184
Energy: 0.6377478756591578
Energy: 0.6457642218007577
Energy: 0.6377478756591578
Energy: 0.6393330619613317
Energy: 0.6862059491539834
Energy: 0.6377704661766669
Energy: 0.6862059491546563
Energy: 0.6571822691886955
Energy: 0.6858732040428579
Energy: 0.637242863370109
Energy: 0.6858732040428579
Energy: 0.6409122500851883
Energy: 0.6383040048106888
Energy: 0.6752784222097586
Energy: 0.6383040048106888
Energy: 0.6467774085779152
Energy: 0.6475701764584545
Energy: 0.6735139157723105
Energy: 0.6475701765956725
Energy: 0.638173270934382
Energy: 0.6666741293931837
Energy: 0.6508525832677091
Energy: 0.6666741293931837
Energy: 0.674215286993317
Energy: 0.7353393116020098
Energy: 0.7355056053270824
Energy: 0.7353526103066341
Energy: 0.6193461764500579
Energy: 0.6309826689646383
Energy: 0.675337001358997
Energy: 0.6309826689646383
Energy: 0.6180696979613024
Energy: 0.6311923230904486
Energy: 0.6362947500274172
Energy: 0.6311923230897757
Energy: 0.6091319661534571
Energy: 0.6085223689397073
Energy: 0.674987605740954
Energy: 0.6085223689403804
Energy: 0.6115177360593765
Energy: 0.6316928244492495
Energy: 0.6737760762813256
Energy: 0.6316928244479036
Energy: 0.6208602943101733
Energy: 0.6300832985941551
Energy: 0.6740668708931481
Energy: 0.6300832985941551
Energy: 0.6732498504215471
Energy: 0.7362791245413861
Energy: 0.7363970793331497
Energy: 0.7362791254218931

minimum gb energy = 0.5991318836053379 eV
minimum distance =  2.55574118508154 Angstroms
sigma value = 53


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

Energy: 0.8858361851215268
Energy: 0.5623700143318451
Energy: 0.6644666387826235
Energy: 0.6635594275554214
Energy: 0.8190075377175338
Energy: 0.5852986486022624
Energy: 0.6893100515174888
Energy: 0.5852986486022624
Energy: 0.6634388248541168
Energy: 0.663656079412908
Energy: 0.7181334758160475
Energy: 0.663656079412908
Energy: 0.6881100609912011
Energy: 0.5860833346236188
Energy: 0.6873527827630607
Energy: 0.5860833346236188
Energy: 0.6996721956485055
Energy: 0.585433563714669
Energy: 0.5526393661438846
Energy: 0.585433563714669
Energy: 0.6870227981902308
Energy: 0.5865906648231973
Energy: 0.5529026743932615
Energy: 0.5865906648216481
Energy: 0.8164960478067382
Energy: 0.6631804827362383
Energy: 0.6625351048219544
Energy: 0.6631804827377874
Energy: 0.8167452731911539
Energy: 0.5864598591342991
Energy: 0.6870229072050746
Energy: 0.5864598591342991
Energy: 0.6639482686466616
Energy: 0.6636784729927904
Energy: 0.7168902125771077
Energy: 0.6636784729912412
Energy: 0.6871368828369899
Energy: 0.5858644520253588
Energy: 0.6871454794568225
Energy: 0.5858644520253588
Energy: 0.6979935875432725
Energy: 0.586460162111682
Energy: 0.5528916183258373
Energy: 0.5864601621132313
Energy: 0.6885479877611783
Energy: 0.5860052001634579
Energy: 0.5549583715500739
Energy: 0.5860052001619087
Energy: 0.816822282021171
Energy: 0.5864944550164346
Energy: 0.6867524946855172
Energy: 0.5864944550164346

minimum gb energy = 0.5526393661438846 eV
minimum distance =  2.61331542225229 Angstroms
sigma value = 9


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

Energy: 0.8468573734846135
Energy: 0.7393316336217232
Energy: 0.763801100594124
Energy: 0.7648099610454722
Energy: 0.6906514269796523
Energy: 0.6218390457088663
Energy: 0.7424449812146069
Energy: 0.6218390457094398
Energy: 0.6225367803014381
Energy: 0.6354468498075001
Energy: 0.784941187805223
Energy: 0.6354468498075001
Energy: 0.6258927178344723
Energy: 0.6219092967216892
Energy: 0.770913622171425
Energy: 0.6219092967216892
Energy: 0.6266781113394203
Energy: 0.6218954672379811
Energy: 0.7228854620569709
Energy: 0.6218954672379811
Energy: 0.6503574331201528
Energy: 0.6216743542690365
Energy: 0.7219174160078508
Energy: 0.6216743542696099
Energy: 0.8616661568739477
Energy: 0.7680451127079517
Energy: 0.7657024252435727
Energy: 0.768045112708525
Energy: 0.7734347359807532
Energy: 0.6905558899124988
Energy: 0.7651972170488615
Energy: 0.6905558899124988
Energy: 0.6632426109591901
Energy: 0.7517920915069592
Energy: 0.6686221579518733
Energy: 0.7517920915075326
Energy: 0.6137589032878359
Energy: 0.6687693171939105
Energy: 0.6898897278434357
Energy: 0.6687693171939105
Energy: 0.6663527095693879
Energy: 0.6761007449555461
Energy: 0.784845907913438
Energy: 0.6761007449555461
Energy: 0.6918501310125662
Energy: 0.6776806290476459
Energy: 0.8485655403838308
Energy: 0.6776797701486225
Energy: 0.7756035326871109
Energy: 0.6863477003516004
Energy: 0.7096038611550296
Energy: 0.686347700351027
Energy: 0.7931231888329876
Energy: 0.6703234102393572
Energy: 0.6809762260953836
Energy: 0.6703234102387838
Energy: 0.7652151079921733
Energy: 0.6760161686824631
Energy: 0.6334946618204492
Energy: 0.6760161686818897
Energy: 0.722682192566469
Energy: 0.676236307577834
Energy: 0.6326070497301968
Energy: 0.676236307577834
Energy: 0.6890204269554525
Energy: 0.6756540240154568
Energy: 0.6711641765402527
Energy: 0.6756540240154568
Energy: 0.762927376203291
Energy: 0.7678604454995525
Energy: 0.8469497498464962
Energy: 0.7678604455058597
Energy: 0.7559472355435353
Energy: 0.6214990887905333
Energy: 0.6910434273413069
Energy: 0.6214990887905333
Energy: 0.7847032160458624
Energy: 0.6375416550904444
Energy: 0.6364259457536325
Energy: 0.6375416550887242
Energy: 0.7717911434134723
Energy: 0.6225842180327162
Energy: 0.6239913951502943
Energy: 0.6225842180321429
Energy: 0.7219829534306865
Energy: 0.621737350646753
Energy: 0.6253436055824391
Energy: 0.621737350646753
Energy: 0.7223405963789493
Energy: 0.6217459013250249
Energy: 0.6485683861633607
Energy: 0.6217459013255984
Energy: 0.7661144243697368
Energy: 0.6939392609726999
Energy: 0.8584717698202349
Energy: 0.6939392606007256
Energy: 0.7641654767387605
Energy: 0.6915938068338631
Energy: 0.7752252118130375
Energy: 0.6915938068332897
Energy: 0.6697352157435057
Energy: 0.6882738645155787
Energy: 0.6627989371073597
Energy: 0.6882738645155787
Energy: 0.7203622861892036
Energy: 0.6687206763907371
Energy: 0.6133228236502636
Energy: 0.6687206763901637
Energy: 0.8013101898054162
Energy: 0.683111812471062
Energy: 0.6656630982456615
Energy: 0.6831118124704887
Energy: 0.8473944036420923
Energy: 0.6892505365072052
Energy: 0.6894223031985135
Energy: 0.6892505413587947
Energy: 0.7244154335983405
Energy: 0.6860724113253984
Energy: 0.7741633689529106
Energy: 0.6860724113253984
Energy: 0.6814354900983982
Energy: 0.6861119219660743
Energy: 0.7865560035082249
Energy: 0.6861119219419919
Energy: 0.6392517010589654
Energy: 0.6854093488472742
Energy: 0.7668044817974611
Energy: 0.6854093488472742
Energy: 0.6316053147261784
Energy: 0.6764102446263943
Energy: 0.7232356418752164
Energy: 0.676410244625821
Energy: 0.6700573535268568
Energy: 0.6757583666915827
Energy: 0.6481290403203727
Energy: 0.6757583666915827
Energy: 0.8480325186829138
Energy: 0.76625380805482
Energy: 0.7629624333070399
Energy: 0.7662538080542467

minimum gb energy = 0.6133228236502636 eV
minimum distance =  2.53842760974106 Angstroms
sigma value = 73


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

Energy: 0.8877572872398163
Energy: 0.6700656761249036
Energy: 0.7200537823592904
Energy: 0.7192677431248053
Energy: 0.6367084462492372
Energy: 0.6358293797419227
Energy: 0.67081987316687
Energy: 0.6358293797419227
Energy: 0.631514083162677
Energy: 0.6334332139842141
Energy: 0.7489217526550757
Energy: 0.6334332139833044
Energy: 0.6309737071074457
Energy: 0.6313245391546163
Energy: 0.7205996754026944
Energy: 0.6313245391546163
Energy: 0.6402275568035918
Energy: 0.6372556570259934
Energy: 0.7649209945611416
Energy: 0.6372556570250838
Energy: 0.6538780622131224
Energy: 0.6380078141713533
Energy: 0.7900500205468763
Energy: 0.6380078141722632
Energy: 0.6975101433586757
Energy: 0.7720561141165501
Energy: 0.7590408436020312
Energy: 0.7720561141165501
Energy: 0.7050889419362671
Energy: 0.6901929098273288
Energy: 0.6175179354654303
Energy: 0.6901929098282387
Energy: 0.6564150832751892
Energy: 0.7414582951534088
Energy: 0.7529225713357716
Energy: 0.7414582951534088
Energy: 0.6600241647914903
Energy: 0.6959946370490246
Energy: 0.6131482943900379
Energy: 0.6959946370490246
Energy: 0.6781832763036113
Energy: 0.6350685295361642
Energy: 0.6311286842310411
Energy: 0.6350685295352544
Energy: 0.6591998974476055
Energy: 0.6220957422036044
Energy: 0.792409196058724
Energy: 0.6220957422036044
Energy: 0.7225188827956286
Energy: 0.6636786131400927
Energy: 0.6130035716573384
Energy: 0.6636786131410025
Energy: 0.7512529488584312
Energy: 0.6859204426964377
Energy: 0.6686192462751047
Energy: 0.6859204426964377
Energy: 0.6702402120476296
Energy: 0.6765023709382757
Energy: 0.6306036772993835
Energy: 0.6765023709382757
Energy: 0.7658025829558552
Energy: 0.671571160159623
Energy: 0.6720798882520872
Energy: 0.671571160159623
Energy: 0.6701797275388048
Energy: 0.6728233329465817
Energy: 0.6847134323417299
Energy: 0.6728233329465817
Energy: 0.7388156088634895
Energy: 0.7304470296049091
Energy: 0.8360578886737595
Energy: 0.7304470296039993
Energy: 0.6337901549607377
Energy: 0.6674099506980115
Energy: 0.7711974945020519
Energy: 0.6674099506971017
Energy: 0.7139451930116996
Energy: 0.6646183226829399
Energy: 0.6683739845129252
Energy: 0.6646183226829399
Energy: 0.6337588605462889
Energy: 0.7064220624834888
Energy: 0.6616531963512773
Energy: 0.7064220624825791
Energy: 0.8257792632789123
Energy: 0.6650253247809182
Energy: 0.7348647637673026
Energy: 0.6650253247809182

minimum gb energy = 0.6130035716573384 eV
minimum distance =  2.53656865537098 Angstroms
sigma value = 7


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

Energy: 1.0219092647097199
Energy: 0.6949994163450904
Energy: 0.7373024020844428
Energy: 0.7189343042812185
Energy: 0.6232624316948324
Energy: 0.6300020793359932
Energy: 0.6453717987367585
Energy: 0.6300020793347066
Energy: 0.6255904093644031
Energy: 0.6260488580881808
Energy: 0.6903127711584855
Energy: 0.6260488580875375
Energy: 0.6254975068774206
Energy: 0.6253705702433012
Energy: 0.6512861678508626
Energy: 0.6253705702426579
Energy: 0.6283343099161565
Energy: 0.634131736567919
Energy: 0.755772974771773
Energy: 0.6341317365698488
Energy: 0.6609022322880156
Energy: 0.627000057165459
Energy: 0.7555917964183178
Energy: 0.627000057165459
Energy: 0.768303464876363
Energy: 0.625830352521255
Energy: 0.6527376351341944
Energy: 0.6258303525206116
Energy: 0.6557394500915663
Energy: 0.6273568484989377
Energy: 0.6529027185304526
Energy: 0.6273568484976513
Energy: 0.6468228444947642
Energy: 0.6258272273161893
Energy: 0.6296429469166054
Energy: 0.6258272273168326
Energy: 0.7500189204371821
Energy: 0.6461161814449035
Energy: 0.6262017194981186
Energy: 0.6461161814442601
Energy: 0.6505145312224461
Energy: 0.6587649064450174
Energy: 0.6521409334080153
Energy: 0.6587649064443742
Energy: 0.7207343776665295
Energy: 0.7049481855540575
Energy: 0.7672206877233794
Energy: 0.7049481855547007
Energy: 0.6967313070772424
Energy: 0.655986289575169
Energy: 0.6359227698612993
Energy: 0.655986289575169
Energy: 0.694319755248116
Energy: 0.6562742057956926
Energy: 0.6313728807830127
Energy: 0.6562742057956926
Energy: 0.6338964524107273
Energy: 0.6561362995574747
Energy: 0.6351060836237362
Energy: 0.6561362995568313
Energy: 0.7848329928137623
Energy: 0.7045094923485359
Energy: 0.7375408789248052
Energy: 0.7045094923478925
Energy: 0.6692863340583602
Energy: 0.6588295834520823
Energy: 0.7052145294091184
Energy: 0.6588295834501524
Energy: 0.6300417110472314
Energy: 0.7717063398745251
Energy: 0.6895631258738899
Energy: 0.7717063398738818
Energy: 0.6293918062119515
Energy: 0.6258892731954678
Energy: 0.6468703305270296
Energy: 0.6258892731967545
Energy: 0.6534700452935709
Energy: 0.6267299279118497
Energy: 0.6691302639735283
Energy: 0.6267299279124928
Energy: 0.6250204696579198
Energy: 0.626108940307977
Energy: 0.7524055869910498
Energy: 0.6261089403092637
Energy: 0.7716197280173487
Energy: 0.6331270420266721
Energy: 0.662405327439391
Energy: 0.6331270420273153
Energy: 0.7707479772727934
Energy: 0.634019860242998
Energy: 0.6275621236443862
Energy: 0.6340198602410682
Energy: 0.6516173692277517
Energy: 0.6250818645835143
Energy: 0.6255146634335306
Energy: 0.6250818645828712
Energy: 0.7508492309738481
Energy: 0.6261909311597511
Energy: 0.6261176036930446
Energy: 0.6261909311597511
Energy: 0.6889609036267189
Energy: 0.6259351774968576
Energy: 0.6273414245549112
Energy: 0.6259351774975009
Energy: 0.738282027829809
Energy: 0.7488373553669174
Energy: 0.884938804860786
Energy: 0.7488373509309367
Energy: 0.6283706944860483
Energy: 0.6571625516226405
Energy: 0.6323629286409735
Energy: 0.6571625516207106
Energy: 0.6909161042576392
Energy: 0.6571703431259595
Energy: 0.6262417365574201
Energy: 0.6571703431253161
Energy: 0.6274770299096141
Energy: 0.6275588994456359
Energy: 0.6308127659370631
Energy: 0.6275588994456359
Energy: 0.7860808306254381
Energy: 0.6565525648947319
Energy: 0.7402632169103116
Energy: 0.6565525648940886

minimum gb energy = 0.6232624316948324 eV
minimum distance =  2.53920312316803 Angstroms
sigma value = 29


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

Energy: 0.560505166597467
Energy: 0.5608409158594668
Energy: 0.6636338188346972
Energy: 0.6909638356421771
Energy: 0.5846372574942212
Energy: 0.6183298942362221
Energy: 0.569744596152207
Energy: 0.6183298942364462
Energy: 0.6650444208078794
Energy: 0.5964211959128783
Energy: 0.5671452603284133
Energy: 0.5964211959133264
Energy: 0.5606845301428025
Energy: 0.5693108192791635
Energy: 0.5714855765402999
Energy: 0.5693108192789395
Energy: 0.6633647516002067
Energy: 0.5694682551043401
Energy: 0.560577125226924
Energy: 0.5694682551047883
Energy: 0.5704425460034304
Energy: 0.5952673911395173
Energy: 0.5605778717660782
Energy: 0.5952673911397413
Energy: 0.5660824613627888
Energy: 0.5972676854905506
Energy: 0.6652242276280717
Energy: 0.5972676854907747
Energy: 0.570734716785537
Energy: 0.5697723579502338
Energy: 0.5608313559579073
Energy: 0.569772357950682
Energy: 0.5609255285132196
Energy: 0.569693258123122
Energy: 0.5704237042319976
Energy: 0.569693258123122

minimum gb energy = 0.560505166597467 eV
minimum distance =  2.58219124112592 Angstroms
sigma value = 5


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

Energy: 0.774545803503332
Energy: 0.5828831891746465
Energy: 0.6968372824260586
Energy: 0.6954798712528152
Energy: 0.5891052153811857
Energy: 0.5839127720396771
Energy: 0.6426505968800343
Energy: 0.5839127720396771
Energy: 0.6436710540525925
Energy: 0.587516048461216
Energy: 0.6852411859335075
Energy: 0.5875160485231687
Energy: 0.5907259695029505
Energy: 0.5837191148163169
Energy: 0.6552513131867053
Energy: 0.5837191148169246
Energy: 0.6170744792028806
Energy: 0.6086551161315936
Energy: 0.6893453979031905
Energy: 0.608655116130986
Energy: 0.6087117684955853
Energy: 0.6084268017189494
Energy: 0.6895902114568171
Energy: 0.608426801719557
Energy: 0.5845318134629778
Energy: 0.5848115129280509
Energy: 0.6555762349432468
Energy: 0.5848115129280509
Energy: 0.5840193489917441
Energy: 0.5842212725028946
Energy: 0.7771514514139335
Energy: 0.5842212725022868
Energy: 0.6144520376545962
Energy: 0.6677937093020272
Energy: 0.6669354946149693
Energy: 0.6677937093020272
Energy: 0.6819913317260744
Energy: 0.5787452665328175
Energy: 0.590187669551917
Energy: 0.5787452665334252
Energy: 0.6139271703263386
Energy: 0.578678029390488
Energy: 0.5812044417037523
Energy: 0.5786780293910957
Energy: 0.7840822952302257
Energy: 0.5788159447563355
Energy: 0.5787356849542906
Energy: 0.5788159447563355
Energy: 0.7796992908827696
Energy: 0.6676364905690098
Energy: 0.5783922310252461
Energy: 0.6676364905690098
Energy: 0.6243994000874601
Energy: 0.6669354648389924
Energy: 0.6860475270174072
Energy: 0.6669354648389924
Energy: 0.5862605623574497
Energy: 0.6054506774504317
Energy: 0.6901546574342815
Energy: 0.6054506774492163
Energy: 0.5883939270873879
Energy: 0.5844627537770684
Energy: 0.6280549782316595
Energy: 0.584462753777676
Energy: 0.6961265361233664
Energy: 0.5846025203713492
Energy: 0.5925348506647654
Energy: 0.5846025203707417
Energy: 0.6425932323704969
Energy: 0.5838318074602346
Energy: 0.5895762564866341
Energy: 0.5838318074608422
Energy: 0.6831688064660406
Energy: 0.6187042183444397
Energy: 0.6417774784407412
Energy: 0.6187042183444397
Energy: 0.6561948143182043
Energy: 0.5844438440219362
Energy: 0.5887798353894595
Energy: 0.5844438440231515
Energy: 0.6900942954431488
Energy: 0.6123148355984174
Energy: 0.6543662961816152
Energy: 0.6123148355978097
Energy: 0.6861620068623872
Energy: 0.6087078192857605
Energy: 0.6104842785344469
Energy: 0.6087078192857605
Energy: 0.6553407913729525
Energy: 0.5840653457723238
Energy: 0.5858165511968464
Energy: 0.5840653457717161
Energy: 0.780402132348889
Energy: 0.5842776406384115
Energy: 0.584325100694346
Energy: 0.5842776406384115
Energy: 0.6649872202043126
Energy: 0.667358235858341
Energy: 0.6140487465868731
Energy: 0.667358235858341
Energy: 0.5919305764183685
Energy: 0.5789966355308384
Energy: 0.6820094061753957
Energy: 0.5789966408272221
Energy: 0.5937416387810214
Energy: 0.5785637971244043
Energy: 0.6142707057576583
Energy: 0.5785637971237967
Energy: 0.5793686737857011
Energy: 0.5810492300444924
Energy: 0.590078633248335
Energy: 0.5810492300438848
Energy: 0.5785410236552709
Energy: 0.5781138476896913
Energy: 0.7765551576804867
Energy: 0.5781138476890836
Energy: 0.6907935458986691
Energy: 0.6668047026205922
Energy: 0.6144737917122691
Energy: 0.6668047026205922
Energy: 0.6909669456346322
Energy: 0.6038054095993663
Energy: 0.5865796259318499
Energy: 0.6038054095993663
Energy: 0.6286392267738998
Energy: 0.5842397566726847
Energy: 0.5859417919892616
Energy: 0.5842397566732923
Energy: 0.5909316524974615
Energy: 0.5841673883448747
Energy: 0.6957301189430054
Energy: 0.5841673883448747

minimum gb energy = 0.5781138476890836 eV
minimum distance =  2.52352413339438 Angstroms
sigma value = 1


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

Energy: 0.90739951240747
Energy: 0.5667090559767656
Energy: 0.6890874059588027
Energy: 0.688059697448586
Energy: 0.6188374046296984
Energy: 0.5665054287724963
Energy: 0.6477094165416497
Energy: 0.5665054287733364
Energy: 0.6486047775692602
Energy: 0.6108285342742787
Energy: 0.703343702664811
Energy: 0.6108285342742787
Energy: 0.6307199090940613
Energy: 0.6578762411505261
Energy: 0.6584983401492461
Energy: 0.6578762411513662
Energy: 0.6435774018848084
Energy: 0.568599158619751
Energy: 0.6349930502834429
Energy: 0.568599158619751
Energy: 0.5686942459693468
Energy: 0.5685035061056928
Energy: 0.6280275900446535
Energy: 0.5685035061056928
Energy: 0.5686467283575719
Energy: 0.5685347055530878
Energy: 0.6589188873670795
Energy: 0.5685347055522477
Energy: 0.568405283490647
Energy: 0.5689848012220786
Energy: 0.7589142053479471
Energy: 0.5689848012212576
Energy: 0.5638568250166496
Energy: 0.6007029396537192
Energy: 0.6550740263023322
Energy: 0.6007029396545595
Energy: 0.7568481188512168
Energy: 0.6409578720527369
Energy: 0.5951259120707697
Energy: 0.6409578720518968
Energy: 0.562855601590615
Energy: 0.5502971226129479
Energy: 0.6225864013179057
Energy: 0.5502971226129479
Energy: 0.6761502920859311
Energy: 0.5510923814958527
Energy: 0.589684721858067
Energy: 0.5510923814950126
Energy: 0.8252346515515124
Energy: 0.5503069487673911
Energy: 0.5986072955859959
Energy: 0.5503069487682314
Energy: 0.5641463288512701
Energy: 0.550638335283756
Energy: 0.7587201212124021
Energy: 0.5506383352829161
Energy: 0.6277302823430099
Energy: 0.5920222299717486
Energy: 0.6523892389937165
Energy: 0.5920222299717486
Energy: 0.6274515966720977
Energy: 0.5686913218139208
Energy: 0.652368864255495
Energy: 0.5686913218147608
Energy: 0.693016489395376
Energy: 0.5687343812248048
Energy: 0.652287840247905
Energy: 0.5687343812248048
Energy: 0.5984781935179688
Energy: 0.5683295210307713
Energy: 0.6432569297880542
Energy: 0.5683295210299312
Energy: 0.5721827918197194
Energy: 0.5708327138466848
Energy: 0.6551797880019598
Energy: 0.5708327138466848
Energy: 0.5683319459331976
Energy: 0.5954623087112603
Energy: 0.7610667642568939
Energy: 0.5954623087129407
Energy: 0.651287648157641
Energy: 0.6009046479806278
Energy: 0.6484733094264964
Energy: 0.6009046479806278
Energy: 0.7028105713248747
Energy: 0.5663700736886423
Energy: 0.5666988918651144
Energy: 0.5663700736886423
Energy: 0.6371729975655522
Energy: 0.5665250522717615
Energy: 0.5673754405514881
Energy: 0.5665250522717615
Energy: 0.7627023297215721
Energy: 0.5662601448343633
Energy: 0.5665302407827666
Energy: 0.5662601448335232

minimum gb energy = 0.5502971226129479 eV
minimum distance =  2.51907570242264 Angstroms
sigma value = 17


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

Energy: 0.8707669968771767
Energy: 0.5565557071082302
Energy: 0.6817308356256303
Energy: 0.6801661290799143
Energy: 0.5554779254419578
Energy: 0.552013795175968
Energy: 0.6233139421919766
Energy: 0.5520137951764873
Energy: 0.6822976407342862
Energy: 0.5522227969895567
Energy: 0.6354782210084252
Energy: 0.552222796988518
Energy: 0.7110876035075002
Energy: 0.5494138533577724
Energy: 0.6058454125237948
Energy: 0.5494138533582916
Energy: 0.5971914662095587
Energy: 0.5487798347805644
Energy: 0.6697822568410406
Energy: 0.548779834781603
Energy: 0.5492627283210585
Energy: 0.5488283266860923
Energy: 0.6698784732651331
Energy: 0.5488283266860923
Energy: 0.5492210521094244
Energy: 0.5483010929223514
Energy: 0.6050754569270218
Energy: 0.548301092921832
Energy: 0.5545213828672877
Energy: 0.548525204994693
Energy: 0.8701307142354812
Energy: 0.548525204994693
Energy: 0.6754699801157632
Energy: 0.5487212140630086
Energy: 0.6810941140939033
Energy: 0.5487212140635278
Energy: 0.6321839134679418
Energy: 0.57832407059751
Energy: 0.6033395191819836
Energy: 0.57832407059751
Energy: 0.6736856853512012
Energy: 0.5525831616524408
Energy: 0.5546454067169982
Energy: 0.5525831616524408
Energy: 0.6695751908157567
Energy: 0.5704837176827978
Energy: 0.6141531080200835
Energy: 0.5704837176833172
Energy: 0.6947234914408907
Energy: 0.552536912580493
Energy: 0.5529372865750743
Energy: 0.552536912578935
Energy: 0.641979976573222
Energy: 0.5522162797488135
Energy: 0.5541044514658969
Energy: 0.5522162797493327
Energy: 0.7164417278051581
Energy: 0.5524057058078855
Energy: 0.5573741483975959
Energy: 0.5524057058078855
Energy: 0.7075603191213137
Energy: 0.5682750565498955
Energy: 0.5571543431720535
Energy: 0.5682750565504148
Energy: 0.5536777956837936
Energy: 0.5529485379909852
Energy: 0.790086396028271
Energy: 0.5529485379930624
Energy: 0.5548937870231747
Energy: 0.5524371807985321
Energy: 0.6776790564765752
Energy: 0.5524371807985321
Energy: 0.5614097208823906
Energy: 0.5527844354638652
Energy: 0.6801419728582573
Energy: 0.5527844354638652
Energy: 0.6857140189744201
Energy: 0.5532562457706484
Energy: 0.8707818744460394
Energy: 0.5532562457690904
Energy: 0.6230242537471709
Energy: 0.5519166328376718
Energy: 0.6421833870818648
Energy: 0.5519166328371524
Energy: 0.6378548440806772
Energy: 0.5519512203167798
Energy: 0.6838489043346115
Energy: 0.5519512203162606
Energy: 0.6144134001307839
Energy: 0.5484500205454605
Energy: 0.7165083154752901
Energy: 0.5484500205428641
Energy: 0.7247213629557194
Energy: 0.5488478425541561
Energy: 0.548708898081673
Energy: 0.5488478425536368
Energy: 0.6704366953564305
Energy: 0.5488751739329876
Energy: 0.5492119819734564
Energy: 0.5488751739335069
Energy: 0.60459536346248
Energy: 0.5485575299809944
Energy: 0.5513449013322327
Energy: 0.5485575299809944
Energy: 0.8701575672614628
Energy: 0.5494222371270285
Energy: 0.5546313712308606
Energy: 0.5494222371259899
Energy: 0.6361265106710551
Energy: 0.5485915791243048
Energy: 0.6701160360892919
Energy: 0.5485915791243048
Energy: 0.6034122624222384
Energy: 0.6511372306475242
Energy: 0.6336465785239827
Energy: 0.6511372306470048
Energy: 0.5555897147456929
Energy: 0.5519794066001009
Energy: 0.6726164723737547
Energy: 0.5519794065995816
Energy: 0.5947702378421283
Energy: 0.5705626021862172
Energy: 0.6691134175326697
Energy: 0.570562602185698
Energy: 0.5521863766388074
Energy: 0.5526420782693313
Energy: 0.6692826506918768
Energy: 0.5526420782693313
Energy: 0.5524364482005114
Energy: 0.552316131462491
Energy: 0.6707975456158599
Energy: 0.552316131462491
Energy: 0.5598579382099304
Energy: 0.552212751999207
Energy: 0.7114763662935228
Energy: 0.5522127519997263
Energy: 0.6754426666676024
Energy: 0.5706961680045277
Energy: 0.7073546751201861
Energy: 0.5706961680045277
Energy: 0.7897139193233079
Energy: 0.5529514142583735
Energy: 0.5540702211901668
Energy: 0.5529514142573349
Energy: 0.6749052537531567
Energy: 0.552597831206875
Energy: 0.5528636028214622
Energy: 0.552597831206875
Energy: 0.6821367247493949
Energy: 0.5822536666518251
Energy: 0.5706983180230755
Energy: 0.5822536666518251

minimum gb energy = 0.548301092921832 eV
minimum distance =  2.5278360683777 Angstroms
sigma value = 89


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

Energy: 0.8963948326382497
Energy: 0.5264409924193706
Energy: 0.6417703114375546
Energy: 0.641903396462156
Energy: 0.7103550640119086
Energy: 0.6223170868929468
Energy: 0.6042631295613963
Energy: 0.6223170868929468
Energy: 0.4910961975620196
Energy: 0.5369453893788948
Energy: 0.6203931284526595
Energy: 0.5369453893802535
Energy: 0.4936526462321512
Energy: 0.4959899373550256
Energy: 0.6057056414673108
Energy: 0.4959899373550256
Energy: 0.4957714914405944
Energy: 0.6177833690736266
Energy: 0.6197140050662022
Energy: 0.6177833690749855
Energy: 0.49627921630844835
Energy: 0.6180966246407508
Energy: 0.6187148577082565
Energy: 0.6180966246407508
Energy: 0.49597824277517677
Energy: 0.4943747283346818
Energy: 0.6239981366866932
Energy: 0.4943747283346818
Energy: 0.49525821574242396
Energy: 0.4948901990523724
Energy: 0.7104425125092596
Energy: 0.4948901990523724
Energy: 0.6049262933831018
Energy: 0.6178784995008543
Energy: 0.7108785124264133
Energy: 0.6178784995008543
Energy: 0.6211717924505619
Energy: 0.536005202907474
Energy: 0.5479809895684286
Energy: 0.536005202907474
Energy: 0.6232050166148078
Energy: 0.5356357984235858
Energy: 0.49112351885654115
Energy: 0.5356357984235858
Energy: 0.618038367301238
Energy: 0.6181973341845008
Energy: 0.4964029324972732
Energy: 0.6181973341845008
Energy: 0.6171944014354844
Energy: 0.4947033218127785
Energy: 0.49450206546553477
Energy: 0.4947033218127785
Energy: 0.6060235265776727
Energy: 0.49435638679733357
Energy: 0.49462894389495393
Energy: 0.49435638679733357
Energy: 0.7103711266368833
Energy: 0.4947053507889758
Energy: 0.4945577763138654
Energy: 0.4947053507889758

minimum gb energy = 0.4910961975620196 eV
minimum distance =  2.5546816089962 Angstroms
sigma value = 13


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

Energy: 0.7973076009768476
Energy: 0.5029076073108258
Energy: 0.6384254561384795
Energy: 0.6322792222292917
Energy: 0.6886187579101509
Energy: 0.4854327436086678
Energy: 0.5415953157801308
Energy: 0.4854327436115153
Energy: 0.6921493565007385
Energy: 0.48508957581353324
Energy: 0.5632411049390182
Energy: 0.48508957580954676
Energy: 0.632941444022155
Energy: 0.606018801551275
Energy: 0.5385034470662918
Energy: 0.606018801551275
Energy: 0.5427467579023021
Energy: 0.5107377713603459
Energy: 0.6628907522250601
Energy: 0.5107377713592068
Energy: 0.5403189851950533
Energy: 0.48520293591738517
Energy: 0.6605611791326247
Energy: 0.48520293591738517
Energy: 0.5575405431806637
Energy: 0.48505617892195824
Energy: 0.6384916650947972
Energy: 0.48505617891911074
Energy: 0.49101015334512954
Energy: 0.48573313296395665
Energy: 0.7501117805467014
Energy: 0.48573313296566517
Energy: 0.5010025675171418
Energy: 0.4987042377029104
Energy: 0.7498008961682866
Energy: 0.49870423770063244
Energy: 0.49169546789300184
Energy: 0.48545613007941735
Energy: 0.7546383421675905
Energy: 0.4854561300788478
Energy: 0.4883656400932933
Energy: 0.4894863894451761
Energy: 0.797249960088305
Energy: 0.4894863894468846
Energy: 0.6414319644586207
Energy: 0.4853973185624796
Energy: 0.5391624318850996
Energy: 0.4853973185630491
Energy: 0.6692132640826268
Energy: 0.5098690008930665
Energy: 0.6398717350290771
Energy: 0.5098690008907885
Energy: 0.6371595286272673
Energy: 0.4858131530818846
Energy: 0.6333312778103642
Energy: 0.48581315307846756
Energy: 0.7500148048403723
Energy: 0.48599470524331245
Energy: 0.5400953487150536
Energy: 0.48599470524160393
Energy: 0.7496793751952798
Energy: 0.48596456681537925
Energy: 0.4915548750359113
Energy: 0.48596456681651823
Energy: 0.6366876240505047
Energy: 0.48571947800693105
Energy: 0.4886207335139697
Energy: 0.48571947801034804
Energy: 0.6845232029633335
Energy: 0.48584313261378653
Energy: 0.4920156099918058
Energy: 0.4858431326149255
Energy: 0.8115095686701821
Energy: 0.4889434942901323
Energy: 0.5364090328472076
Energy: 0.48894349429184075
Energy: 0.6414332905816368
Energy: 0.4851275241335749
Energy: 0.5591919305825487
Energy: 0.48512752413528343
Energy: 0.6319894412686959
Energy: 0.48579163628014765
Energy: 0.5357568953367202
Energy: 0.48579163628128663
Energy: 0.6426785851514997
Energy: 0.5090628151266163
Energy: 0.6421084086826537
Energy: 0.5090628151277554
Energy: 0.5429383703025303
Energy: 0.48554209965822487
Energy: 0.6678991746029033
Energy: 0.48554209965654227
Energy: 0.4852998671780967
Energy: 0.484933754085666
Energy: 0.7508108532876128
Energy: 0.484933754086805
Energy: 0.5370186452599471
Energy: 0.4859775526036598
Energy: 0.7487986424940662
Energy: 0.4859775526042293
Energy: 0.4876733660924762
Energy: 0.4859240426819822
Energy: 0.7488253796208701
Energy: 0.4859240426842602
Energy: 0.4858532948138969
Energy: 0.48527248086074987
Energy: 0.7523581317812357
Energy: 0.48527248086245833
Energy: 0.4854995519145663
Energy: 0.4857769445313182
Energy: 0.6854558572567657
Energy: 0.48577694453188774
Energy: 0.6396735576647378
Energy: 0.4854890636620325
Energy: 0.8124678890547686
Energy: 0.48548906366431055
Energy: 0.5587841689243633
Energy: 0.5114955779238614
Energy: 0.637632040323888
Energy: 0.5114955779278478
Energy: 0.6365687999522428
Energy: 0.5133818651093134
Energy: 0.6316959830832385
Energy: 0.5133818651104524
Energy: 0.7499067334735348
Energy: 0.4857829624912535
Energy: 0.5350029157074658
Energy: 0.48578296249068403
Energy: 0.7496545619654384
Energy: 0.4861343638044138
Energy: 0.49361359845477315
Energy: 0.48613436379985786
Energy: 0.7085520708839823
Energy: 0.4855051250155075
Energy: 0.4860557678412909
Energy: 0.485505125013799
Energy: 0.8115037625391515
Energy: 0.48567124899791364
Energy: 0.49016898444050033
Energy: 0.48567124899791364

minimum gb energy = 0.484933754085666 eV
minimum distance =  2.54769046992768 Angstroms
sigma value = 37


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

Energy: 0.785368563382117
Energy: 0.4626115393076919
Energy: 0.6028844491694059
Energy: 0.6027804034048031
Energy: 0.6964428152669574
Energy: 0.45550899322622795
Energy: 0.555283361921037
Energy: 0.45550899322622795
Energy: 0.6903087980736826
Energy: 0.45511054771541887
Energy: 0.5558566853956886
Energy: 0.45511054771541887
Energy: 0.6905223577003496
Energy: 0.4964943980475934
Energy: 0.547453681085278
Energy: 0.4964943980475934
Energy: 0.5649915036024931
Energy: 0.4981965646182296
Energy: 0.6074393769177278
Energy: 0.4981965646182296
Energy: 0.5038647077205558
Energy: 0.4516025665270689
Energy: 0.6994690140050176
Energy: 0.4516025665270689
Energy: 0.507158101207275
Energy: 0.45148138996051634
Energy: 0.6268537123158036
Energy: 0.45148138996051634
Energy: 0.509755681289397
Energy: 0.4410898848541168
Energy: 0.8032187090067056
Energy: 0.4410898848541168
Energy: 0.49893178872081184
Energy: 0.4410353713987784
Energy: 0.8032741124264764
Energy: 0.4410353713987784
Energy: 0.4968569521687771
Energy: 0.4410953907476365
Energy: 0.7447877529573762
Energy: 0.4410953907476365
Energy: 0.4979895423438215
Energy: 0.4982045241745771
Energy: 0.6975309996539695
Energy: 0.4982045241745771
Energy: 0.5904629028207701
Energy: 0.44093880808184466
Energy: 0.6273093849062861
Energy: 0.44093880808184466
Energy: 0.589351666913583
Energy: 0.44067509964076895
Energy: 0.6903001317225824
Energy: 0.44067509964076895
Energy: 0.5899001857265249
Energy: 0.4812249370596374
Energy: 0.6910071184570976
Energy: 0.4812249370596374
Energy: 0.6074393769177278
Energy: 0.4919934667516759
Energy: 0.5406219898171196
Energy: 0.4919934667516759
Energy: 0.6994690140050176
Energy: 0.4805095760737829
Energy: 0.5531508913215906
Energy: 0.4805095760737829
Energy: 0.6587129893603979
Energy: 0.45528428995037573
Energy: 0.5071820151200804
Energy: 0.45528428995037573
Energy: 0.8032187090067056
Energy: 0.4556272329746406
Energy: 0.46572775559643736
Energy: 0.4556272329746406
Energy: 0.8032741124264764
Energy: 0.45563843838030427
Energy: 0.45544273470089947
Energy: 0.45563843838030427
Energy: 0.7713729563266949
Energy: 0.45579311711851056
Energy: 0.45571540600392074
Energy: 0.45579311711949033

minimum gb energy = 0.44067509964076895 eV
minimum distance =  2.54319757650108 Angstroms
sigma value = 25


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

Energy: 0.8557400948656939
Energy: 0.4091403207977765
Energy: 0.5573102950899492
Energy: 0.40109514182874945
Energy: 0.8401068999130966
Energy: 0.4005144978140124
Energy: 0.4744620248432099
Energy: 0.4005144978140124
Energy: 0.7588426724556661
Energy: 0.39975375692080595
Energy: 0.477711599410088
Energy: 0.39975375692080595
Energy: 0.5950852679834255
Energy: 0.400382221922212
Energy: 0.4740595166177721
Energy: 0.400382221922212
Energy: 0.6560510612536944
Energy: 0.5258767685432896
Energy: 0.6565812811060564
Energy: 0.5258767685432896
Energy: 0.5490331878686614
Energy: 0.43112054945511785
Energy: 0.6587462109069365
Energy: 0.43112054945511785
Energy: 0.5524956651062861
Energy: 0.5258934157405726
Energy: 0.6571519302123298
Energy: 0.5258934157405726
Energy: 0.4742219379478382
Energy: 0.4000118665069549
Energy: 0.7260431211926129
Energy: 0.40001186650618986
Energy: 0.477589444910287
Energy: 0.39982326888416303
Energy: 0.8425866222822429
Energy: 0.39982326888416303
Energy: 0.4780298563977097
Energy: 0.40037911827666195
Energy: 0.7640582447925529
Energy: 0.4003791182774271
Energy: 0.4003404906113173
Energy: 0.40022983415179475
Energy: 0.7245959769839441
Energy: 0.4002298341525598
Energy: 0.4032585492731984
Energy: 0.4004211393940486
Energy: 0.7607494342788811
Energy: 0.4004211393940486
Energy: 0.401223141309691
Energy: 0.3998081300925184
Energy: 0.8402276151350552
Energy: 0.39980813009175337
Energy: 0.4148706847108582
Energy: 0.4002095354880102
Energy: 0.8553680581485544
Energy: 0.4002095354880102
Energy: 0.4778423643259196
Energy: 0.3997695837230715
Energy: 0.761642944612571
Energy: 0.3997695837230715
Energy: 0.4786238567385211
Energy: 0.39986570448822867
Energy: 0.7590146803302227
Energy: 0.3998657044874635
Energy: 0.47395362711535144
Energy: 0.525279580746483
Energy: 0.7585193614790289
Energy: 0.5252795807472481
Energy: 0.49787607726357797
Energy: 0.43345919420800844
Energy: 0.6586598626623058
Energy: 0.43345919420800844
Energy: 0.656372538952326
Energy: 0.5255022503412327
Energy: 0.5514159109276116
Energy: 0.5255022503404675
Energy: 0.6568307998602159
Energy: 0.525964787229402
Energy: 0.5494410934238633
Energy: 0.525964787229402
Energy: 0.7255773968667761
Energy: 0.40015975678172144
Energy: 0.47656263021512
Energy: 0.40015975678172144
Energy: 0.8423251853556362
Energy: 0.399685379938852
Energy: 0.4007487527539913
Energy: 0.39968537993808684
Energy: 0.8403772536035896
Energy: 0.40023762115200534
Energy: 0.474298935286256
Energy: 0.40023762115277045
Energy: 0.7256203897564016
Energy: 0.4003176153045726
Energy: 0.4012680077246874
Energy: 0.4003176153045726
Energy: 0.7623056306835302
Energy: 0.40021430170330946
Energy: 0.400471988945584
Energy: 0.4002143017040745
Energy: 0.7573939635555467
Energy: 0.4000378722014947
Energy: 0.400453404769072
Energy: 0.4000378722014947

minimum gb energy = 0.39968537993808684 eV
minimum distance =  2.55763081671857 Angstroms
sigma value = 41


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

Energy: 0.9559980916646195
Energy: 0.37830956717215675
Energy: 0.530418296510861
Energy: 0.36688565351292807
Energy: 0.8652349836878801
Energy: 0.36616601235689805
Energy: 0.42662005143079496
Energy: 0.3661660123575253
Energy: 0.8260428567889198
Energy: 0.3657244104805581
Energy: 0.4291728951063472
Energy: 0.36572441048181265
Energy: 0.7322853597191391
Energy: 0.3665581623714906
Energy: 0.4259740000555697
Energy: 0.3665581623746269
Energy: 0.7578778925928433
Energy: 0.476033034506195
Energy: 0.5878051807420165
Energy: 0.476033034506195
Energy: 0.6810747319117001
Energy: 0.48177465010557535
Energy: 0.584288754306863
Energy: 0.48177465010557535
Energy: 0.6777632174923532
Energy: 0.5808955693945541
Energy: 0.5843783904834952
Energy: 0.5808955693945541
Energy: 0.5855713440674023
Energy: 0.48188317597204317
Energy: 0.6272196185032209
Energy: 0.48188317597204317
Energy: 0.4878641393229051
Energy: 0.4774633790551731
Energy: 0.756098451185729
Energy: 0.4774633790551731
Energy: 0.48706836310617946
Energy: 0.4764807198412954
Energy: 0.7536620239756228
Energy: 0.4764807198412954
Energy: 0.42734561506504254
Energy: 0.3661302090920379
Energy: 0.8447687424544675
Energy: 0.3661302090920379
Energy: 0.42861063183336723
Energy: 0.3656341799322266
Energy: 0.9003290484292332
Energy: 0.3656341799322266
Energy: 0.42725887957996317
Energy: 0.36668962187078435
Energy: 0.8935086404815616
Energy: 0.3666896218701571
Energy: 0.3670927335542224
Energy: 0.366394350606926
Energy: 0.7515352329536731
Energy: 0.366394350606926
Energy: 0.3675007426659763
Energy: 0.36660671736713535
Energy: 0.8283186583425386
Energy: 0.36660671736650813
Energy: 0.3665337973618548
Energy: 0.3669306267978421
Energy: 0.8249561956931734
Energy: 0.3669306267978421
Energy: 0.42660278108036104
Energy: 0.3669533680165302
Energy: 0.824872159389221
Energy: 0.36695336801715756
Energy: 0.4440964364406956
Energy: 0.36795070836522037
Energy: 0.8276286103011445
Energy: 0.36795070836459315
Energy: 0.4282404432844582
Energy: 0.36592163043215103
Energy: 0.6830566996156138
Energy: 0.36592163043215103
Energy: 0.5853618382826462
Energy: 0.47612680565034077
Energy: 0.681329936476577
Energy: 0.476126805650968
Energy: 0.6278578339817645
Energy: 0.4760924286899857
Energy: 0.7540300286264154
Energy: 0.47609242869061297
Energy: 0.586186583369221
Energy: 0.5831058942507875
Energy: 0.6778624683000422
Energy: 0.5831058942501602
Energy: 0.7564454952644094
Energy: 0.5790079238556174
Energy: 0.6792728810792465
Energy: 0.5790079238556174
Energy: 0.5902953036465337
Energy: 0.48178104590739634
Energy: 0.5861656056272505
Energy: 0.48178104590739634
Energy: 0.7542397041963266
Energy: 0.4768301256467945
Energy: 0.5214987941588752
Energy: 0.4768301256474217
Energy: 0.7529833935529031
Energy: 0.4759877012188783
Energy: 0.5840910367041797
Energy: 0.4759877012188783
Energy: 0.7520887683266976
Energy: 0.4755110826835205
Energy: 0.42822226863506857
Energy: 0.4755110826835205
Energy: 0.826869381417666
Energy: 0.36802536781249057
Energy: 0.4449020747208515
Energy: 0.3680253678131178
Energy: 0.752378671317623
Energy: 0.3665198755899814
Energy: 0.428251648921637
Energy: 0.36651987558872684
Energy: 0.7520712120766357
Energy: 0.36678878843981366
Energy: 0.3670201346885744
Energy: 0.3667887884391864
Energy: 0.827164315665471
Energy: 0.36641392011650536
Energy: 0.3674113071238593
Energy: 0.36641392011650536
Energy: 0.8249654704773265
Energy: 0.36718956958995846
Energy: 0.3668920791979297
Energy: 0.3671895695905857

minimum gb energy = 0.3656341799322266 eV
minimum distance =  2.56341991292088 Angstroms
sigma value = 15


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

Energy: 0.8802955034489736
Energy: 0.3532310221434083
Energy: 0.5130122470990158
Energy: 0.34370006099594247
Energy: 0.906923399869611
Energy: 0.34086442756799606
Energy: 0.39482544414187754
Energy: 0.34086442756799606
Energy: 0.9062014655259507
Energy: 0.34239950236486133
Energy: 0.3951087745298863
Energy: 0.34239950236273575
Energy: 0.7793105603770132
Energy: 0.34278393610155833
Energy: 0.39220934765475135
Energy: 0.342783936101027
Energy: 0.8175849479882246
Energy: 0.44579204470187367
Energy: 0.5305393235616771
Energy: 0.44579204469974815
Energy: 0.7866607951396724
Energy: 0.4377604002569039
Energy: 0.528382679178979
Energy: 0.4377604002569039
Energy: 0.6506224079497698
Energy: 0.45045564085465006
Energy: 0.61220323207446
Energy: 0.4504556408557128
Energy: 0.6875249442429606
Energy: 0.5379932476080516
Energy: 0.5741455934422597
Energy: 0.5379932476075202
Energy: 0.6490619591170568
Energy: 0.536854873061829
Energy: 0.6821351847947817
Energy: 0.5368548730612978
Energy: 0.6478273053354063
Energy: 0.5356060399460499
Energy: 0.7325801054318876
Energy: 0.5356060399455187
Energy: 0.5346996430512365
Energy: 0.40034213286139914
Energy: 0.78525432013242
Energy: 0.4003421328608678
Energy: 0.486359836444659
Energy: 0.40027175977382906
Energy: 0.8121221865756275
Energy: 0.4002717597743604
Energy: 0.5240183620671546
Energy: 0.3931548145707795
Energy: 0.8470483887746628
Energy: 0.39315481456971674
Energy: 0.41629795533409225
Energy: 0.34519278209771764
Energy: 0.7145543561696904
Energy: 0.3451927820998432
Energy: 0.4160629768223139
Energy: 0.3418292254260819
Energy: 0.8429348230433562
Energy: 0.34182922542714467
Energy: 0.41294441855004915
Energy: 0.3412672991321712
Energy: 0.8481857158683275
Energy: 0.34126729913163983
Energy: 0.37419720585232114
Energy: 0.3392788474226815
Energy: 0.8404965420129099
Energy: 0.33927884742374426
Energy: 0.3715352589939546
Energy: 0.3482795793911515
Energy: 0.8709057043873082
Energy: 0.34827957939168286
Energy: 0.36855628093191606
Energy: 0.3397201579101146
Energy: 0.7552870838088503
Energy: 0.3397201579079891
Energy: 0.4195767281919116
Energy: 0.3390505954897919
Energy: 0.870151460507079
Energy: 0.3390505954892605
Energy: 0.43685592500457865
Energy: 0.3404655747007962
Energy: 0.8713923358009521
Energy: 0.34046557473321015
Energy: 0.4192234911148485
Energy: 0.3389958911825402
Energy: 0.7793983742406001
Energy: 0.3389958911798833
Energy: 0.5442212242721427
Energy: 0.4373204920708194
Energy: 0.7842297120089196
Energy: 0.4373204920708194
Energy: 0.5505807771933124
Energy: 0.49014807252757037
Energy: 0.7810866727254873
Energy: 0.4901480725291645
Energy: 0.5533610154669719
Energy: 0.4501690514701979
Energy: 0.6922075791666937
Energy: 0.45016905146913516
Energy: 0.6808704377334714
Energy: 0.5040230824516029
Energy: 0.7489451014242877
Energy: 0.5040230824521342
Energy: 0.570345123896078
Energy: 0.502267494770098
Energy: 0.680650798622984
Energy: 0.502267494768504
Energy: 0.6824688897357208
Energy: 0.4461363730589357
Energy: 0.6914129068102226
Energy: 0.4461363730605299
Energy: 0.7210679330596994
Energy: 0.5395776272983732
Energy: 0.6572886952750325
Energy: 0.5395776272978419
Energy: 0.7196143828688641
Energy: 0.44488553125833474
Energy: 0.5281643863493366
Energy: 0.44488553126152297
Energy: 0.8153820077642416
Energy: 0.43818062602850855
Energy: 0.4860648122199285
Energy: 0.4381806260295713
Energy: 0.7144540178366069
Energy: 0.3421042885822999
Energy: 0.4584103379941758
Energy: 0.3421042885807058
Energy: 0.8476641154578225
Energy: 0.3416433225779115
Energy: 0.39585507496176053
Energy: 0.34164332257631747
Energy: 0.8780631872002991
Energy: 0.34090236405055585
Energy: 0.3954965050728584
Energy: 0.3409023640510873
Energy: 0.9746400942321708
Energy: 0.3413867820112706
Energy: 0.35176346870210345
Energy: 0.34138678200861367
Energy: 0.9087639846161816
Energy: 0.34128077524528455
Energy: 0.3476203380264578
Energy: 0.34128077524634737
Energy: 0.9061929056688283
Energy: 0.3424022801019651
Energy: 0.34729922916819367
Energy: 0.34240228010249646

minimum gb energy = 0.3389958911798833 eV
minimum distance =  2.55055756895455 Angstroms
sigma value = 85


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

Energy: 0.9362501230155393
Energy: 0.32481613937017473
Energy: 0.48390594588296226
Energy: 0.30694667900639533
Energy: 0.8412747227442154
Energy: 0.3067172292512885
Energy: 0.35303307099279246
Energy: 0.3067172292503668
Energy: 0.8128243981597271
Energy: 0.3067494085833729
Energy: 0.3534833048827889
Energy: 0.3067494085833729
Energy: 0.6989802395618021
Energy: 0.3067555770550115
Energy: 0.35169642401141077
Energy: 0.3067555770554724
Energy: 0.8426655555869562
Energy: 0.3930156107549072
Energy: 0.4709062522793718
Energy: 0.3930156107549072
Energy: 0.6992748508424764
Energy: 0.3067996312248604
Energy: 0.470533566207214
Energy: 0.3067996312253212
Energy: 0.699519537367048
Energy: 0.4069944592999793
Energy: 0.5521739985700492
Energy: 0.406994459300901
Energy: 0.7310479560725011
Energy: 0.4832770950564765
Energy: 0.5055500834888456
Energy: 0.4832770950569373
Energy: 0.6998256916521812
Energy: 0.4904629194634931
Energy: 0.6092171986397593
Energy: 0.4904629194634931
Energy: 0.7000456550876335
Energy: 0.49308819034452894
Energy: 0.657640029779059
Energy: 0.4930881903449898
Energy: 0.608089183429838
Energy: 0.48392548643340677
Energy: 0.6889923613926265
Energy: 0.483925486432946
Energy: 0.5756105305843726
Energy: 0.48172541855486517
Energy: 0.7304024358411371
Energy: 0.48172541855486517
Energy: 0.6081043387026697
Energy: 0.48217254423888184
Energy: 0.7576106594338646
Energy: 0.48217254423934275
Energy: 0.4663650342126857
Energy: 0.3650182013982382
Energy: 0.6531366161103621
Energy: 0.3650182013973165
Energy: 0.4548650700305495
Energy: 0.35926365324139575
Energy: 0.8412423686479558
Energy: 0.3592636532418566
Energy: 0.46692921998990133
Energy: 0.3595327863161315
Energy: 0.7567073746854585
Energy: 0.35953278631520974
Energy: 0.36539056789892493
Energy: 0.30585400017092546
Energy: 0.7568127035879214
Energy: 0.30585400017046455
Energy: 0.37183445219695854
Energy: 0.3514563093762078
Energy: 0.8687539063016556
Energy: 0.3514563093766687
Energy: 0.369353508634555
Energy: 0.3072385675124725
Energy: 0.8656361803486537
Energy: 0.3072385675129334
Energy: 0.327615734550938
Energy: 0.30522735650322025
Energy: 0.8655403210065636
Energy: 0.30522735650322025
Energy: 0.3278220948348013
Energy: 0.3055359907044477
Energy: 0.8951516324371699
Energy: 0.3055359907044477
Energy: 0.3276807345217641
Energy: 0.3051099180477704
Energy: 0.7848863428709723
Energy: 0.3051099180477704
Energy: 0.3733421218449061
Energy: 0.30507587445247863
Energy: 0.8922186083186743
Energy: 0.3050758744534004
Energy: 0.37553086825152854
Energy: 0.3064539920971565
Energy: 0.8969955020449075
Energy: 0.306453992098539
Energy: 0.37174344161719275
Energy: 0.3061346556365063
Energy: 0.7694705556391044
Energy: 0.30613465562867165
Energy: 0.48429056712548524
Energy: 0.43404768805088084
Energy: 0.8390846338730922
Energy: 0.4340476880499591
Energy: 0.4867110993587789
Energy: 0.3066068038277142
Energy: 0.8138616745951975
Energy: 0.3066068038161926
Energy: 0.4851199144292057
Energy: 0.3922092098963952
Energy: 0.7700854405415054
Energy: 0.39220920989685604
Energy: 0.604840472662899
Energy: 0.45217261525502056
Energy: 0.729517484104499
Energy: 0.45217261525455976
Energy: 0.6066564890458215
Energy: 0.45473966082974476
Energy: 0.7021708221811944
Energy: 0.45473966082974476
Energy: 0.6064485920087529
Energy: 0.46020919512746167
Energy: 0.5750968338456143
Energy: 0.46020919512700076
Energy: 0.639418849489029
Energy: 0.4912702027673461
Energy: 0.6088401714082589
Energy: 0.49127020276642436
Energy: 0.7313655621150212
Energy: 0.4847235397916814
Energy: 0.5762472145405553
Energy: 0.48472353979075966
Energy: 0.7646634701221484
Energy: 0.48295530372752904
Energy: 0.577258028647984
Energy: 0.48295530372706813
Energy: 0.6882027163724439
Energy: 0.30730959626086596
Energy: 0.47014911981353963
Energy: 0.307309596264092
Energy: 0.8424677897159082
Energy: 0.39296995710020327
Energy: 0.4707526698917406
Energy: 0.39296995709974236
Energy: 0.8666149344376737
Energy: 0.39265493810945395
Energy: 0.4703617372957525
Energy: 0.39265493810945395
Energy: 0.7572087636465994
Energy: 0.3068480917120047
Energy: 0.35108812169288267
Energy: 0.30684809171292643
Energy: 0.8980056513755457
Energy: 0.30685451822435067
Energy: 0.35251782716142616
Energy: 0.30685451822435067
Energy: 0.8654566022304522
Energy: 0.3069344278448237
Energy: 0.3512960864266159
Energy: 0.306934427843902
Energy: 0.7565514925809418
Energy: 0.3071422881710072
Energy: 0.30835578505303923
Energy: 0.3071422882115423
Energy: 0.9215562130271264
Energy: 0.306637929574853
Energy: 0.307368381736969
Energy: 0.306637929574853
Energy: 0.8117703787893682
Energy: 0.30689089317499585
Energy: 0.3085329165487451
Energy: 0.3068908931754567

minimum gb energy = 0.30507587445247863 eV
minimum distance =  2.55649209234604 Angstroms
sigma value = 113


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

Energy: 0.011713306910735966
Energy: 0.013656796896608606
Energy: 0.6931378101787878
Energy: 0.23912011221887958
Energy: 0.012343587709696026
Energy: 0.06347888035175354
Energy: 0.520283359282731
Energy: 0.06347888035208814
Energy: 0.01247169988874362
Energy: 0.062067148464454394
Energy: 0.5186782052359532
Energy: 0.06206714846410011
Energy: 0.0131355459500232
Energy: 0.061529853598131845
Energy: 0.518431439735872
Energy: 0.061529853597777566
Energy: 0.5184245727428045
Energy: 0.06149194567179665
Energy: 0.5182252033180248
Energy: 0.06149194567179665
Energy: 0.012145677925179604
Energy: 0.06185588985780423
Energy: 0.5185087588373204
Energy: 0.06185588985780423

minimum gb energy = 0.011713306910735966 eV
minimum distance =  2.82277525827116 Angstroms
sigma value = 1