Model name: model_name=Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000
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=4.049998886883259
cohesive_energy=3.360254209517774
mass=26.981538
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: 0.010374191227137727
Energy: 0.011194047081018434
Energy: 0.7063812943861193
Energy: 0.011194047081490388
Energy: 0.011194047081490388
Energy: 0.552421239159239
Energy: 0.011194047081018434
Energy: 0.552421239159239
Energy: 0.7063812943861193
Energy: 0.011194047081018434
Energy: 0.010374191227137727
Energy: 0.011194047081018434
Energy: 0.011194047081490388
Energy: 0.552421239159239
Energy: 0.011194047081018434
Energy: 0.552421239159239

minimum gb energy = 0.010374191227137727 eV
minimum distance =  2.67554369489295 Angstroms
sigma value = 1


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

Energy: 0.6484798655102869
Energy: 0.6248037739606751
Energy: 0.6526623959624278
Energy: 0.6248037739600691
Energy: 0.622311611023671
Energy: 0.6410800814700882
Energy: 0.6236585987601359
Energy: 0.6410800814706943
Energy: 0.6143047738831218
Energy: 0.6165679746540401
Energy: 0.6333913055421708
Energy: 0.6165679746540401
Energy: 0.6222796664039428
Energy: 0.6438290862215231
Energy: 0.6050954110556344
Energy: 0.6438290862215231
Energy: 0.6260039408361195
Energy: 0.6307160026734371
Energy: 0.6160002416252199
Energy: 0.6307160026734371
Energy: 0.5945452307686472
Energy: 0.7009269351411799
Energy: 0.5824633205924818
Energy: 0.7009269351411799
Energy: 0.6228292926046016
Energy: 0.6216304196333304
Energy: 0.595821463026516
Energy: 0.6216304196333304
Energy: 0.561462611362028
Energy: 0.6289965515399435
Energy: 0.5840515295932884
Energy: 0.6289965515399435
Energy: 0.6055267894237211
Energy: 0.789882812774892
Energy: 0.6188857349584154
Energy: 0.789882812774892
Energy: 0.5879928814726887
Energy: 0.6160991115713531
Energy: 0.5618991913370224
Energy: 0.6160991115713531
Energy: 0.6215163078287604
Energy: 0.6436922068887286
Energy: 0.6052260057914636
Energy: 0.6436922068887286
Energy: 0.632456519091444
Energy: 0.6289592117969285
Energy: 0.5922776685437149
Energy: 0.6289592117975344
Energy: 0.6221414811835148
Energy: 0.6149715187444856
Energy: 0.6228079585345265
Energy: 0.6149715187450918
Energy: 0.6305567603927723
Energy: 0.6458698740848575
Energy: 0.6021744183957604
Energy: 0.6458698740848575
Energy: 0.6446894718085343
Energy: 0.6329252331703371
Energy: 0.6220592645021616
Energy: 0.6329252331703371
Energy: 0.6447268243910539
Energy: 0.6269269456744815
Energy: 0.6305019402881682
Energy: 0.6269269456744815
Energy: 0.6335661188117592
Energy: 0.6163503645881315
Energy: 0.5853045824766852
Energy: 0.6163503645887377
Energy: 0.6237443856971205
Energy: 0.6157315619042752
Energy: 0.6221253401963244
Energy: 0.6157315619036692
Energy: 0.5743229134628575
Energy: 0.6276773551851232
Energy: 0.5971108359202733
Energy: 0.6276773551851232
Energy: 0.623623299476901
Energy: 0.7693639952646498
Energy: 0.6072868715603307
Energy: 0.7693639952652559
Energy: 0.5816199703773192
Energy: 0.616300400027713
Energy: 0.5609424547306598
Energy: 0.616300400027713
Energy: 0.6050133434179366
Energy: 0.6978803401112943
Energy: 0.6351630426421272
Energy: 0.6978803401112943
Energy: 0.6787626644278537
Energy: 0.630683906355449
Energy: 0.6031231946971886
Energy: 0.630683906355449
Energy: 0.672013632404234
Energy: 0.6171164358462502
Energy: 0.5945754814523001
Energy: 0.6171164358462502
Energy: 0.5954249476862731
Energy: 0.6983083275255821
Energy: 0.701133792271503
Energy: 0.6983083275261881
Energy: 0.6277227965764636
Energy: 0.6291894323329414
Energy: 0.6073555741122795
Energy: 0.6291894323329414
Energy: 0.6218920570423587
Energy: 0.7157435369430994
Energy: 0.6056595879248323
Energy: 0.7157435369430994
Energy: 0.6075680684746105
Energy: 0.6143642893689937
Energy: 0.6358278697493893
Energy: 0.6143642893689937
Energy: 0.622447054479575
Energy: 0.6488843228713265
Energy: 0.6212465832559485
Energy: 0.6488843228713265
Energy: 0.6469175024303948
Energy: 0.6257511925873688
Energy: 0.6336973826394549
Energy: 0.6257511925873688
Energy: 0.6228535863115297
Energy: 0.6498237142994993
Energy: 0.6219181853478566
Energy: 0.6498237142988933
Energy: 0.6253920932306547
Energy: 0.6188640895974543
Energy: 0.6306292358372724
Energy: 0.6188640895980604
Energy: 0.6256473772761924
Energy: 0.6412761292213135
Energy: 0.6064304973873053
Energy: 0.6412761292213135

minimum gb energy = 0.5609424547306598 eV
minimum distance =  2.53546971709715 Angstroms
sigma value = 1


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

Energy: 0.6803785748739641
Energy: 0.7139104787515895
Energy: 0.7118609064209855
Energy: 0.7139104787515895
Energy: 0.6487522863454591
Energy: 0.6944647293024291
Energy: 0.6469424019914298
Energy: 0.6944647293024291
Energy: 0.6337873258218553
Energy: 0.6704776372221695
Energy: 0.65458712612108
Energy: 0.6704776372221695
Energy: 0.6100786825230589
Energy: 0.6763578993712066
Energy: 0.6164234252876069
Energy: 0.6763578993712066
Energy: 0.6099661131930639
Energy: 0.6587305116381531
Energy: 0.6530889013575616
Energy: 0.6587305116381531
Energy: 0.6640663134760078
Energy: 0.6593618879051455
Energy: 0.6047178417292819
Energy: 0.6593618879051455
Energy: 0.6519454518515363
Energy: 0.7093128843319586
Energy: 0.6251079569166389
Energy: 0.7093128843319586
Energy: 0.5823831854835659
Energy: 0.670226126516424
Energy: 0.5955382233089008
Energy: 0.670226126516424
Energy: 0.6093187899934397
Energy: 0.799706619943929
Energy: 0.6469637559155131
Energy: 0.799706619943929
Energy: 0.6218318780355642
Energy: 0.6721392945874578
Energy: 0.6711089112875345
Energy: 0.6721392945874578
Energy: 0.6192778625893403
Energy: 0.6613729016909722
Energy: 0.647613281688719
Energy: 0.6613729016909722
Energy: 0.5967656647867658
Energy: 0.708432280522303
Energy: 0.6545143069043843
Energy: 0.708432280522303
Energy: 0.6569955565513578
Energy: 0.6541898533404369
Energy: 0.6272124985034864
Energy: 0.6541898533404369
Energy: 0.6570711454997215
Energy: 0.6540177502874265
Energy: 0.6764280796035662
Energy: 0.6540177502874265
Energy: 0.5966061342849015
Energy: 0.6876608248470192
Energy: 0.6395234498111114
Energy: 0.6876608248470192
Energy: 0.6192140303469709
Energy: 0.661330397842452
Energy: 0.6309336867534209
Energy: 0.6613303978417611
Energy: 0.6218175971276845
Energy: 0.6719674682567238
Energy: 0.6226429345992288
Energy: 0.6719674682567238
Energy: 0.609305048777601
Energy: 0.7995204050680144
Energy: 0.6469615668879909
Energy: 0.7995204050680144
Energy: 0.5823839185364595
Energy: 0.6699537664277684
Energy: 0.6105643042966087
Energy: 0.6699537664277684
Energy: 0.6486711623259258
Energy: 0.7093716902278779
Energy: 0.6173997514960361
Energy: 0.7093716902271869
Energy: 0.663968028679329
Energy: 0.6594858597394327
Energy: 0.6249367519050486
Energy: 0.6594858597387417
Energy: 0.6098827722647021
Energy: 0.6588074679428605
Energy: 0.6489409986894563
Energy: 0.6588074679428605
Energy: 0.6100809781725176
Energy: 0.6762291179596146
Energy: 0.6302946576446885
Energy: 0.6762291179589235
Energy: 0.6338141192967175
Energy: 0.6707035747638697
Energy: 0.6394378038716263
Energy: 0.6707035747638697
Energy: 0.6488217126955466
Energy: 0.6945236388578958
Energy: 0.6471372379568511
Energy: 0.6945236388578958
Energy: 0.6803785748746553
Energy: 0.7139104787515895
Energy: 0.7508458554497763
Energy: 0.7139104787515895
Energy: 0.6487522863454591
Energy: 0.6944647293024291
Energy: 0.6469424019914298
Energy: 0.6944647293024291
Energy: 0.6337873258218553
Energy: 0.6704776372228605
Energy: 0.6654553030098984
Energy: 0.6704776372228605
Energy: 0.6100786825230589
Energy: 0.6763578993712066
Energy: 0.6164234252882981
Energy: 0.6763578993712066

minimum gb energy = 0.5823831854835659 eV
minimum distance =  2.51540944007855 Angstroms
sigma value = 25


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

Energy: 0.6530950898868209
Energy: 0.695374520731276
Energy: 0.7352543763456556
Energy: 0.695374520731276
Energy: 0.6359294023622596
Energy: 0.7105927166530774
Energy: 0.6349875337793464
Energy: 0.7105927166530774
Energy: 0.6632911468416842
Energy: 0.7435417147087263
Energy: 0.6347283635533223
Energy: 0.7435417147079232
Energy: 0.6382412389456452
Energy: 0.7300920877914564
Energy: 0.6329734169226177
Energy: 0.7300920877914564
Energy: 0.6341665899505613
Energy: 0.7008407808467513
Energy: 0.6321096844849718
Energy: 0.7008407808467513
Energy: 0.6970340013403669
Energy: 0.7430656546884192
Energy: 0.7422893723642479
Energy: 0.7430656546884192
Energy: 0.6476421588219452
Energy: 0.7273786647432184
Energy: 0.6378161251571284
Energy: 0.7273786647424154
Energy: 0.7664063779572883
Energy: 0.6966671975941168
Energy: 0.6057195276906321
Energy: 0.6966671975941168
Energy: 0.6483031741408358
Energy: 0.6708627845509899
Energy: 0.6476162551505553
Energy: 0.6708627845509899
Energy: 0.6367378667599847
Energy: 0.7216484948541783
Energy: 0.6189077599759668
Energy: 0.7216484948541783
Energy: 0.6375740713612402
Energy: 0.6943114985468043
Energy: 0.6351132950227402
Energy: 0.6943114985468043
Energy: 0.6326676359288592
Energy: 0.6953672958996393
Energy: 0.6346900956100759
Energy: 0.6953672958988361
Energy: 0.6346271466067555
Energy: 0.7050826960672242
Energy: 0.6197425744395986
Energy: 0.7050826960680274
Energy: 0.648296988741435
Energy: 0.7066463665064906
Energy: 0.6358793373132217
Energy: 0.7066463665064906
Energy: 0.629168297553414
Energy: 0.7019088471564021
Energy: 0.6042990090627174
Energy: 0.7019088471564021
Energy: 0.6358783305629212
Energy: 0.8387011674895986
Energy: 0.6242919860963988
Energy: 0.8387011674895986
Energy: 0.6069787134251536
Energy: 0.7463595160434545
Energy: 0.6034515430098595
Energy: 0.7463595160434545
Energy: 0.6332357252805846
Energy: 0.6963132740316561
Energy: 0.6385303902626059
Energy: 0.6963132740316561
Energy: 0.619453339519728
Energy: 0.7294102976990505
Energy: 0.6337374664631003
Energy: 0.7294102976998539
Energy: 0.635110670870857
Energy: 0.7440745816631749
Energy: 0.635602075076187
Energy: 0.7440745816631749
Energy: 0.6422578500724263
Energy: 0.7093565349444791
Energy: 0.6383985960607503
Energy: 0.7093565349444791
Energy: 0.6503536209080029
Energy: 0.7000290261153372
Energy: 0.7041042528597621
Energy: 0.7000290261153372
Energy: 0.6475013648450163
Energy: 0.6854191635045648
Energy: 0.6349927261695735
Energy: 0.6854191635045648
Energy: 0.6667714032564134
Energy: 0.7266362142080917
Energy: 0.6366685257281988
Energy: 0.7266362142088949
Energy: 0.6359431686002541
Energy: 0.8064114981638228
Energy: 0.6232874718658417
Energy: 0.8064114981638228

minimum gb energy = 0.6034515430098595 eV
minimum distance =  2.54529154990422 Angstroms
sigma value = 9


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

Energy: 0.6663712484313292
Energy: 0.7283331590020902
Energy: 0.7782460914514403
Energy: 0.7283331590020902
Energy: 0.6532720311045949
Energy: 0.7098919808499602
Energy: 0.6639441157758721
Energy: 0.7098919808499602
Energy: 0.6212686981883596
Energy: 0.7327877641692915
Energy: 0.659196338777003
Energy: 0.7327877641702497
Energy: 0.7868267651223922
Energy: 0.7990977573676534
Energy: 0.6311463727500711
Energy: 0.7990977573676534
Energy: 0.7369559077407398
Energy: 0.7012464453323207
Energy: 0.6594076866597449
Energy: 0.7012464453323207
Energy: 0.6212064032087231
Energy: 0.7589389461068083
Energy: 0.6254643397540781
Energy: 0.7589389461068083
Energy: 0.6616618330358303
Energy: 0.6298440446931762
Energy: 0.629162991014125
Energy: 0.6298440446931762
Energy: 0.7462350189980826
Energy: 0.7585344197010849
Energy: 0.6250012346128786
Energy: 0.7585344197010849
Energy: 0.6630566752065624
Energy: 0.7083947708532705
Energy: 0.7106134310502292
Energy: 0.7083947708532705
Energy: 0.6574215292806896
Energy: 0.7546406537217393
Energy: 0.630668480789509
Energy: 0.7546406537217393
Energy: 0.6383961298848749
Energy: 0.7205853203915935
Energy: 0.654049434355928
Energy: 0.7205853203915935
Energy: 0.6619492709606524
Energy: 0.7029753344599178
Energy: 0.6309039042369813
Energy: 0.7029753344599178
Energy: 0.6209386829462759
Energy: 0.7813956858326876
Energy: 0.6561931733179516
Energy: 0.7813956858317294
Energy: 0.6596105602975054
Energy: 0.6581323408298424
Energy: 0.662049422554095
Energy: 0.6581323408288843
Energy: 0.6209163419539464
Energy: 0.7816521569512543
Energy: 0.6877391803859185
Energy: 0.7816521569512543
Energy: 0.6618834751960365
Energy: 0.7395851084716463
Energy: 0.6317804973039157
Energy: 0.7395851084726045
Energy: 0.6384085535475127
Energy: 0.7208147381473393
Energy: 0.6594584541464505
Energy: 0.7208147381473393
Energy: 0.6573822888861277
Energy: 0.7546715230973977
Energy: 0.6306782755696922
Energy: 0.7546715230973977
Energy: 0.6631282504042747
Energy: 0.7083990959188367
Energy: 0.65946209230727
Energy: 0.7083990959178785
Energy: 0.7462280331076661
Energy: 0.7587798676192684
Energy: 0.6249864995379218
Energy: 0.7587798676192684
Energy: 0.6616700443158802
Energy: 0.6298209469591758
Energy: 0.6292441642390937
Energy: 0.6298209469591758

minimum gb energy = 0.6209163419539464 eV
minimum distance =  2.64085185018877 Angstroms
sigma value = 25


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

Energy: 0.6308028688676589
Energy: 0.733990447587587
Energy: 0.8650016034265832
Energy: 0.733990447587587
Energy: 0.6209597578374865
Energy: 0.6903624365296576
Energy: 0.6239345388310015
Energy: 0.6903624365296576
Energy: 0.6223246684528494
Energy: 0.7322257460299343
Energy: 0.6253403599181299
Energy: 0.7322257460299343
Energy: 0.6336732498988935
Energy: 0.717868829440778
Energy: 0.7720090472681665
Energy: 0.717868829440778
Energy: 0.7436398294794081
Energy: 0.6955073620476866
Energy: 0.6221613569968645
Energy: 0.6955073620476866
Energy: 0.6219537480714294
Energy: 0.757488192084951
Energy: 0.6228350634229161
Energy: 0.757488192084951
Energy: 0.6568586569431516
Energy: 0.7088913491997239
Energy: 0.6225498017797807
Energy: 0.7088913491997239
Energy: 0.7807605020645284
Energy: 0.7351794082423447
Energy: 0.6341310464125651
Energy: 0.7351794082423447
Energy: 0.6252124128246963
Energy: 0.6904913143672785
Energy: 0.6229057890900822
Energy: 0.6904913143672785
Energy: 0.771960816365974
Energy: 0.7088833547388768
Energy: 0.6219279112711413
Energy: 0.7088833547388768
Energy: 0.7558692330016256
Energy: 0.7336153707343422
Energy: 0.8624394775266746
Energy: 0.7336153707343422
Energy: 0.6225692450223499
Energy: 0.6385041449389037
Energy: 0.7468874103459638
Energy: 0.6385041448950566
Energy: 0.7769207640304598
Energy: 0.7338318373260211
Energy: 0.6231624056518165
Energy: 0.7338318373260211
Energy: 0.685342925379424
Energy: 0.6964214661488893
Energy: 0.633258441299328
Energy: 0.6964214661488893
Energy: 0.6219609566764489
Energy: 0.7478827576262131
Energy: 0.7400231450817121
Energy: 0.7478827576262131
Energy: 0.6254965320742699
Energy: 0.7053252498583839
Energy: 0.6219233597813764
Energy: 0.7053252498583839
Energy: 0.6238203138614926
Energy: 0.735364515257467
Energy: 0.7451210180066609
Energy: 0.735364515257467

minimum gb energy = 0.6209597578374865 eV
minimum distance =  2.58756880189118 Angstroms
sigma value = 17


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

Energy: 0.7150058186773224
Energy: 0.7713374243077324
Energy: 0.9279177591685592
Energy: 0.7713374243077324
Energy: 0.7444423419017318
Energy: 0.6797748199894267
Energy: 0.6703638796186213
Energy: 0.6797748199894267
Energy: 0.7489248793283532
Energy: 0.7615511496284589
Energy: 0.6461837505749136
Energy: 0.7615511496284589
Energy: 0.6423423736594541
Energy: 0.7828588357488757
Energy: 0.7356095312573934
Energy: 0.7828588357488757
Energy: 0.7621232136719467
Energy: 0.7536504330658397
Energy: 0.6711944038429899
Energy: 0.7536504330658397
Energy: 0.6438986427417099
Energy: 0.7543079557968941
Energy: 0.8890256375320152
Energy: 0.7543079557968941
Energy: 0.6418497359230525
Energy: 0.7167293049829896
Energy: 0.6689590714485963
Energy: 0.7167293049829896
Energy: 0.7511211830558226
Energy: 0.7683103193749182
Energy: 0.644784128324812
Energy: 0.7683103193749182
Energy: 0.6461864944041114
Energy: 0.7460029501688793
Energy: 0.7686925072465041
Energy: 0.7460029501688793
Energy: 0.8169364635582058
Energy: 0.7285459196288304
Energy: 0.643385960425825
Energy: 0.7285459196288304
Energy: 0.6411691842923336
Energy: 0.7631389354986338
Energy: 0.7423882151298195
Energy: 0.7631389354986338
Energy: 0.644966349659015
Energy: 0.7160137414528213
Energy: 0.6593908979090957
Energy: 0.7160137414534924
Energy: 0.8631721202589473
Energy: 0.7639217090575635
Energy: 0.6915867947377417
Energy: 0.7639217090575635
Energy: 0.6436943689698508
Energy: 0.7799858011526769
Energy: 0.7440983420262184
Energy: 0.779985801153348
Energy: 0.7156809636118353
Energy: 0.7032891453743289
Energy: 0.6467502816460822
Energy: 0.7032891453743289
Energy: 0.7441777149026091
Energy: 0.7486549672009162
Energy: 0.7509003139241263
Energy: 0.7486549672015873
Energy: 0.6665243847041474
Energy: 0.7203541229417667
Energy: 0.8046934680548075
Energy: 0.7203541229424378
Energy: 0.8555464234028688
Energy: 0.743370620433765
Energy: 0.6439824924964012
Energy: 0.743370620433765
Energy: 0.6669327214324601
Energy: 0.7206668565613334
Energy: 0.7088262038092387
Energy: 0.7206668565613334
Energy: 0.689585545765977
Energy: 0.7651658214296116
Energy: 0.6428741805005336
Energy: 0.7651658214296116
Energy: 0.702132834660897
Energy: 0.764025913646414
Energy: 0.7486447432499259
Energy: 0.7640259136470853
Energy: 0.6692275592333919
Energy: 0.7574132639367042
Energy: 0.8213124451263321
Energy: 0.7574132639360329
Energy: 0.7988242344971704
Energy: 0.7878615516310622
Energy: 0.6418106447632095
Energy: 0.7878615516310622
Energy: 0.6901196909286719
Energy: 0.7035664708612347
Energy: 0.75159465525253
Energy: 0.7035664708619059
Energy: 0.6884074163210188
Energy: 0.7793298087622983
Energy: 0.7306857271922085
Energy: 0.7793298087622983
Energy: 0.7978011549643496
Energy: 0.7829371067948284
Energy: 0.642887211115902
Energy: 0.7829371067948284
Energy: 0.6706693206436282
Energy: 0.7633249706248542
Energy: 0.8435157228976822
Energy: 0.7633249706248542
Energy: 0.751973743085238
Energy: 0.7672556365126311
Energy: 0.7463612424486882
Energy: 0.7672556365126311
Energy: 0.7831890934626575
Energy: 0.8077160237269124
Energy: 0.6417653450049833
Energy: 0.8077160237269124
Energy: 0.6446129845036452
Energy: 0.7594023732158484
Energy: 0.8577020811001518
Energy: 0.7594023732158484

minimum gb energy = 0.6411691842923336 eV
minimum distance =  2.51349121903175 Angstroms
sigma value = 53


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

Energy: 0.602951024123455
Energy: 0.7481018870938091
Energy: 0.854697994900712
Energy: 0.7481018870922639
Energy: 0.748111809535876
Energy: 0.6682511994737813
Energy: 0.7022749286144159
Energy: 0.6682511994737813
Energy: 0.6034702502046603
Energy: 0.678534721164865
Energy: 0.7780485133289808
Energy: 0.6785347211664101
Energy: 0.6034262394573806
Energy: 0.6033315604232151
Energy: 0.6789882538660039
Energy: 0.6033315604232151
Energy: 0.7480912411377887
Energy: 0.6682681532359469
Energy: 0.6651905394175757
Energy: 0.6682681532359469
Energy: 0.602951024123455
Energy: 0.7481018870938091
Energy: 0.8542376102298141
Energy: 0.7481018870922639
Energy: 0.748111658497226
Energy: 0.6682511994737813
Energy: 0.7355222998343404
Energy: 0.6682511994737813
Energy: 0.6034702502108409
Energy: 0.6785347211664101
Energy: 0.7780485133088942
Energy: 0.678534721164865
Energy: 0.6034262394573806
Energy: 0.6033315604232151
Energy: 0.7355033934886527
Energy: 0.6033315604232151
Energy: 0.7480899314605265
Energy: 0.6682681532359469
Energy: 0.7325943130732046
Energy: 0.6682681532359469
Energy: 0.602951024123455
Energy: 0.7481018870938091
Energy: 0.9143948938170859
Energy: 0.7481018870938091
Energy: 0.7481111177433928
Energy: 0.6682511994737813
Energy: 0.7353589150302727
Energy: 0.6682511994737813
Energy: 0.6034702502108409
Energy: 0.678534721164865
Energy: 0.7780485133228003
Energy: 0.678534721164865

minimum gb energy = 0.602951024123455 eV
minimum distance =  2.55353619749927 Angstroms
sigma value = 9


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

Energy: 0.6899751004645114
Energy: 0.7597218629069032
Energy: 0.9382467246330294
Energy: 0.7597218629069032
Energy: 0.7946823040952049
Energy: 0.7119042428446417
Energy: 0.7056711176447771
Energy: 0.7119042428446417
Energy: 0.6545916396909336
Energy: 0.7138711985431883
Energy: 0.6801070473133332
Energy: 0.7138711985431883
Energy: 0.7556442591433098
Energy: 0.7646811775048595
Energy: 0.6627550276259904
Energy: 0.7646811775048595
Energy: 0.8536347233614263
Energy: 0.7310818788811584
Energy: 0.6717975292184253
Energy: 0.7310818788811584
Energy: 0.6850735947757092
Energy: 0.740385161525818
Energy: 0.8763928631903911
Energy: 0.740385161525818
Energy: 0.8805509959154176
Energy: 0.7404154119682045
Energy: 0.6916345219373538
Energy: 0.7404154119682045
Energy: 0.6544759381727795
Energy: 0.7743085781186761
Energy: 0.7641996743986899
Energy: 0.7743085781186761
Energy: 0.656424405310141
Energy: 0.7746087412548545
Energy: 0.6869438162818134
Energy: 0.7746087412542825
Energy: 0.6546433059990509
Energy: 0.730600119774592
Energy: 0.6700056972022488
Energy: 0.7306001197751639
Energy: 0.6562478973984808
Energy: 0.7627251746355355
Energy: 0.872401523763224
Energy: 0.7627251746349636
Energy: 0.7933435752199217
Energy: 0.7844300506603419
Energy: 0.6594201214543822
Energy: 0.7844300506603419
Energy: 0.6570138038768107
Energy: 0.7607289091721964
Energy: 0.808403766209746
Energy: 0.7607289091727684
Energy: 0.7425746347952467
Energy: 0.7743770708686967
Energy: 0.6897032450853199
Energy: 0.7743770708686967
Energy: 0.6558581341979578
Energy: 0.7576759306406613
Energy: 0.7455373969305411
Energy: 0.7576759306406613
Energy: 0.659468425405084
Energy: 0.775059198512277
Energy: 0.7647699718361937
Energy: 0.7750591985117051
Energy: 0.7038997977982286
Energy: 0.7227185624902157
Energy: 0.6562737277095678
Energy: 0.7227185624902157
Energy: 0.6584301496745988
Energy: 0.7579580317677489
Energy: 0.8746501516310314
Energy: 0.7579580317677489
Energy: 0.7646675518296807
Energy: 0.7474850895405518
Energy: 0.6855196465228397
Energy: 0.7474850895405518
Energy: 0.6591039269296569
Energy: 0.7287059520283569
Energy: 0.726898276322061
Energy: 0.7287059520283569
Energy: 0.7603825371509058
Energy: 0.7659454454989751
Energy: 0.7567694538357295
Energy: 0.7659454454984032
Energy: 0.7114000099374251
Energy: 0.749344042143344
Energy: 0.6554210906198534
Energy: 0.749344042143344
Energy: 0.6868127650533847
Energy: 0.7522247624895593
Energy: 0.6581879557215439
Energy: 0.7522247624895593
Energy: 0.8635847962501174
Energy: 0.7546056149774586
Energy: 0.6542830469069374
Energy: 0.7546056149774586
Energy: 0.6758741444208962
Energy: 0.8258856852037955
Energy: 0.8504151768251599
Energy: 0.8258856852037955
Energy: 0.7162596486059498
Energy: 0.7530495321133199
Energy: 0.6553979168026163
Energy: 0.753049532112748
Energy: 0.7259682047922797
Energy: 0.7513333901171807
Energy: 0.7448822476129374
Energy: 0.7513333901171807
Energy: 0.6873484009255452
Energy: 0.7702212910095624
Energy: 0.7456641524478641
Energy: 0.7702212910095624
Energy: 0.7201236124926634
Energy: 0.7356923887751077
Energy: 0.6546634741970583
Energy: 0.7356923887751077
Energy: 0.7055522855185452
Energy: 0.9028807302352287
Energy: 0.8505699402578342
Energy: 0.9028807302352287
Energy: 0.8717294826979698
Energy: 0.7531273682346111
Energy: 0.6535608868572206
Energy: 0.7531273682346111
Energy: 0.673565945191805
Energy: 0.7500685320273186
Energy: 0.6559954190172503
Energy: 0.7500685320267467
Energy: 0.6813403811910415
Energy: 0.765430867642682
Energy: 0.6547274447015592
Energy: 0.765430867642682
Energy: 0.7625634413970529
Energy: 0.7647422257882853
Energy: 0.7559276548938039
Energy: 0.7647422257882853
Energy: 0.6742628869946434
Energy: 0.7669395743959231
Energy: 0.8767704588544081
Energy: 0.7669395743959231

minimum gb energy = 0.6535608868572206 eV
minimum distance =  2.51577290785163 Angstroms
sigma value = 73


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

Energy: 0.7603344881686476
Energy: 0.7545714433974585
Energy: 0.8992082785354661
Energy: 0.7545714433974585
Energy: 0.6608039727386521
Energy: 0.8265878159636889
Energy: 0.6853725697336738
Energy: 0.8265878159636889
Energy: 0.6477982322454974
Energy: 0.712268445582309
Energy: 0.6657686310106667
Energy: 0.712268445582309
Energy: 0.6524277343251458
Energy: 0.7558939688571389
Energy: 0.6682320928713573
Energy: 0.7558939688571389
Energy: 0.7033949542086608
Energy: 0.7345787515151252
Energy: 0.6653403097466156
Energy: 0.7345787515151252
Energy: 0.66712670563441
Energy: 0.7567499272902191
Energy: 0.8462977851168184
Energy: 0.7567499272902191
Energy: 0.8495428758904311
Energy: 0.8083365534274768
Energy: 0.6479816284208015
Energy: 0.8083365534274768
Energy: 0.6652138367408074
Energy: 0.7259576108958834
Energy: 0.8223928480378411
Energy: 0.7259576108958834
Energy: 0.8515335125561293
Energy: 0.7288968775142735
Energy: 0.6955507815154311
Energy: 0.7288968775142735
Energy: 0.6490842831672395
Energy: 0.7292600678829635
Energy: 0.6475764184993315
Energy: 0.7292600678829635
Energy: 0.6681449399237276
Energy: 0.7458730496309797
Energy: 0.7955735619649453
Energy: 0.7458730496309797
Energy: 0.7529489017986836
Energy: 0.7616435125081412
Energy: 0.6527581774670467
Energy: 0.7616435125081412
Energy: 0.6670668558645342
Energy: 0.74888008763299
Energy: 0.9769212994835237
Energy: 0.74888008763299
Energy: 0.8619891402429003
Energy: 0.7704878753365784
Energy: 0.668181110837681
Energy: 0.7704878753365784
Energy: 0.6728835882181207
Energy: 0.7629848681273534
Energy: 0.8213796349340339
Energy: 0.7629848681264462
Energy: 0.8210219147032565
Energy: 0.7444936799623368
Energy: 0.6657245239349194
Energy: 0.7444936799623368
Energy: 0.7214211680026311
Energy: 0.7714601323178941
Energy: 0.647662502339322
Energy: 0.7714601323178941
Energy: 0.7335517391567207
Energy: 0.7477508595772265
Energy: 0.648913507729575
Energy: 0.7477508595772265
Energy: 0.6509377853297635
Energy: 0.7365154844970989
Energy: 0.6648010176108019
Energy: 0.7365154844970989
Energy: 0.712304191070375
Energy: 0.8406528813717341
Energy: 0.8431047342915517
Energy: 0.8406528813717341
Energy: 0.8379755488058022
Energy: 0.7580294462934717
Energy: 0.6666764314256366
Energy: 0.7580294462934717
Energy: 0.6717434929061564
Energy: 0.7338410585454131
Energy: 0.7464343240574608
Energy: 0.7338410585454131

minimum gb energy = 0.6475764184993315 eV
minimum distance =  2.52188137285246 Angstroms
sigma value = 7


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

Energy: 0.731595370014549
Energy: 0.7599225876918302
Energy: 0.8837402262013564
Energy: 0.7599225876918302
Energy: 0.7573222900950474
Energy: 0.820562605647797
Energy: 0.733577905082784
Energy: 0.820562605647797
Energy: 0.6867140588432754
Energy: 0.7722259304336263
Energy: 0.6936595681837454
Energy: 0.7722259304336263
Energy: 0.6805410984748448
Energy: 0.7563759663507044
Energy: 0.6988202533167263
Energy: 0.7563759663507044
Energy: 0.7167656150411411
Energy: 0.7485119224686595
Energy: 0.6921307389183599
Energy: 0.7485119224693011
Energy: 0.6781461912653365
Energy: 0.765579210081057
Energy: 0.8328467463767187
Energy: 0.7655792100816986
Energy: 0.7851100157618914
Energy: 0.8485225189988547
Energy: 0.7126561691517567
Energy: 0.8485225189982131
Energy: 0.6783167364431788
Energy: 0.7511009808982839
Energy: 0.8959999345918883
Energy: 0.7511009808982839
Energy: 0.9133481595052648
Energy: 0.7576612787202769
Energy: 0.6789914233719136
Energy: 0.7576612787209185
Energy: 0.715710896704109
Energy: 0.7630870429194175
Energy: 0.7639305246663758
Energy: 0.7630870429200591
Energy: 0.7088881454797779
Energy: 0.7626628465023589
Energy: 0.7107714009635803
Energy: 0.7626628465023589
Energy: 0.6885094256693288
Energy: 0.7414154528086858
Energy: 0.6698592040106491
Energy: 0.7414154528080443
Energy: 0.7160383217007851
Energy: 0.7667983505745142
Energy: 0.6709619750661845
Energy: 0.7667983505745142
Energy: 0.7015234372930482
Energy: 0.7646626432333996
Energy: 0.6700699628264517
Energy: 0.7646626432333996
Energy: 0.7095873769776456
Energy: 0.7535515212159279
Energy: 0.7605303084561142
Energy: 0.7535515212152863
Energy: 0.8934160311817342
Energy: 0.7477192001773153
Energy: 0.6759450649906493
Energy: 0.7477192001773153
Energy: 0.6980024073288622
Energy: 0.726446359381621
Energy: 0.7158432167702224
Energy: 0.726446359381621
Energy: 0.6838379579291435
Energy: 0.8134188211556875
Energy: 0.6701061686335803
Energy: 0.8134188211556875
Energy: 0.6977132529036018
Energy: 0.7713384681212034
Energy: 0.6729275167924843
Energy: 0.7713384681212034
Energy: 0.7140034159558102
Energy: 0.7355736641037683
Energy: 0.6703283572160254
Energy: 0.7355736641037683
Energy: 0.8617416009934317
Energy: 0.7592833616424942
Energy: 0.6792451446767838
Energy: 0.7592833616418527
Energy: 0.6857954039516542
Energy: 0.7696185777916734
Energy: 0.7818644559985213
Energy: 0.7696185777910318
Energy: 0.8225768258052957
Energy: 0.7626129081430353
Energy: 0.6752002163249334
Energy: 0.7626129081430353
Energy: 0.7328392908105914
Energy: 0.7495449276517514
Energy: 0.8568685836016371
Energy: 0.7495449276517514
Energy: 0.6913679952350873
Energy: 0.7350562558585174
Energy: 0.6723900391310887
Energy: 0.7350562558585174
Energy: 0.6805300452532702
Energy: 0.7727463218314025
Energy: 0.7038558940788898
Energy: 0.7727463218307609
Energy: 0.716203949319041
Energy: 0.7554528238906013
Energy: 0.7463845889267824
Energy: 0.7554528238906013
Energy: 0.6807996114160304
Energy: 0.7263721604911246
Energy: 0.6844588742317655
Energy: 0.7263721604911246
Energy: 0.675185672918912
Energy: 0.7568462637463854
Energy: 0.8252771181488966
Energy: 0.7568462637463854
Energy: 0.7116478806615173
Energy: 0.6900895134698162
Energy: 0.750555168660166
Energy: 0.6900895134698162
Energy: 0.6751905645368796
Energy: 0.7566744305099642
Energy: 0.8074347585477318
Energy: 0.7566744305099642

minimum gb energy = 0.6698592040106491 eV
minimum distance =  2.4903317776003 Angstroms
sigma value = 29


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

Energy: 0.6526005773324606
Energy: 0.7206524537348242
Energy: 0.7266666949468668
Energy: 0.7206524537348242
Energy: 0.6459122922312104
Energy: 0.6785249398170747
Energy: 0.6873565117983754
Energy: 0.6785249398172982
Energy: 0.675168443664442
Energy: 0.7089402931157976
Energy: 0.6725721041596021
Energy: 0.7089402931155744
Energy: 0.6542479002627709
Energy: 0.6878565109689158
Energy: 0.6534940733143384
Energy: 0.6878565109689158
Energy: 0.6534469319037948
Energy: 0.6836220165287609
Energy: 0.6724159370882528
Energy: 0.6836220165289844
Energy: 0.6602894519627559
Energy: 0.7150979323810098
Energy: 0.6603470068482251
Energy: 0.7150979323810098
Energy: 0.6731364313597548
Energy: 0.6836201370288105
Energy: 0.6534423716595685
Energy: 0.6836201370288105
Energy: 0.653507777040704
Energy: 0.6878801169096644
Energy: 0.6542422686650831
Energy: 0.6878801169096644
Energy: 0.6726757355721309
Energy: 0.7089076061853198
Energy: 0.6598560819697847
Energy: 0.7089076061853198

minimum gb energy = 0.6459122922312104 eV
minimum distance =  2.56740562801662 Angstroms
sigma value = 5


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

Energy: 0.6660926665303576
Energy: 0.7143167771380136
Energy: 0.763727582613735
Energy: 0.7143167771380136
Energy: 0.7555416690276612
Energy: 0.7866620254273586
Energy: 0.6412676534892636
Energy: 0.7866620254273586
Energy: 0.633040649735868
Energy: 0.7384738468047066
Energy: 0.8005724258677315
Energy: 0.7384738468041006
Energy: 0.6506988089627946
Energy: 0.7365674615899591
Energy: 0.6543692118221078
Energy: 0.7365674615899591
Energy: 0.6487570034153829
Energy: 0.7646822365165863
Energy: 0.7340010686519232
Energy: 0.7646822365165863
Energy: 0.70925019790526
Energy: 0.7616318142390542
Energy: 0.652966196398342
Energy: 0.7616318142390542
Energy: 0.6461932913155801
Energy: 0.7208646991989122
Energy: 0.649387804407702
Energy: 0.7208646991989122
Energy: 0.6500966388509215
Energy: 0.7798590303522259
Energy: 0.6553936300135738
Energy: 0.7798590303522259
Energy: 0.6491067597895219
Energy: 0.7821990144418927
Energy: 0.646727030765111
Energy: 0.7821990144418927
Energy: 0.647893037090105
Energy: 0.7226464869176631
Energy: 0.6562576212231378
Energy: 0.7226464869176631
Energy: 0.6721414773498262
Energy: 0.8186122108651541
Energy: 0.6353320312718056
Energy: 0.8186122108651541
Energy: 0.6449240289468365
Energy: 0.7710212692208042
Energy: 0.7080623299115469
Energy: 0.7710212692214101
Energy: 0.7000697070412841
Energy: 0.734363803425051
Energy: 0.7042443879148957
Energy: 0.734363803425051
Energy: 0.6418243147379568
Energy: 0.7787723183363584
Energy: 0.7471898797333546
Energy: 0.7787723183363584
Energy: 0.6707018772939419
Energy: 0.7667232758878543
Energy: 0.6395429827257664
Energy: 0.7667232758878543
Energy: 0.6569044049199965
Energy: 0.7323601133764206
Energy: 0.6980502355766577
Energy: 0.7323601133764206
Energy: 0.7601139676784434
Energy: 0.7599921288730911
Energy: 0.6393501465251046
Energy: 0.7599921288730911
Energy: 0.6366749923773879
Energy: 0.7399762510518196
Energy: 0.7438726867491481
Energy: 0.7399762510518196
Energy: 0.6382768259828243
Energy: 0.7304998873181288
Energy: 0.6542960262807193
Energy: 0.7304998873181288
Energy: 0.6483592497224854
Energy: 0.8376194628737749
Energy: 0.6796093214201462
Energy: 0.8376194628737749
Energy: 0.6468225772185137
Energy: 0.7870424142401047
Energy: 0.6562923254844282
Energy: 0.7870424142394986
Energy: 0.6507082439741466
Energy: 0.7193202331020534
Energy: 0.650590571064733
Energy: 0.7193202331020534
Energy: 0.6438492632325281
Energy: 0.7889573322904567
Energy: 0.6488743363788434
Energy: 0.7889573322910628
Energy: 0.7031392969349838
Energy: 0.7554240516978648
Energy: 0.6482483749496681
Energy: 0.7554240516978648
Energy: 0.7103984755526535
Energy: 0.7141890010064665
Energy: 0.6545489523475844
Energy: 0.7141890010064665
Energy: 0.6757931953086791
Energy: 0.7613422788851741
Energy: 0.650541434592647
Energy: 0.7613422788845682
Energy: 0.6438618999298679
Energy: 0.7387143851197356
Energy: 0.68477567665454
Energy: 0.7387143851197356
Energy: 0.7151005207198605
Energy: 0.8235486074488445
Energy: 0.6569060033537255
Energy: 0.8235486074488445
Energy: 0.639232740580186
Energy: 0.8430314782848937
Energy: 0.7596598353331657
Energy: 0.8430314782848937
Energy: 0.7664287872173209
Energy: 0.7641333245360699
Energy: 0.6367551254983043
Energy: 0.7641333245360699
Energy: 0.6515109327082682
Energy: 0.6992001102081937
Energy: 0.7406734831411741
Energy: 0.6992001102069817
Energy: 0.7706219987314192
Energy: 0.8021859218383551
Energy: 0.638376053234135
Energy: 0.8021859218389612
Energy: 0.6590286808281073
Energy: 0.8222776470670797
Energy: 0.8120638034884057
Energy: 0.8222776470664737

minimum gb energy = 0.633040649735868 eV
minimum distance =  2.50072163106221 Angstroms
sigma value = 1


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

Energy: 0.7527601851147527
Energy: 0.7475960444760263
Energy: 0.7845839806096746
Energy: 0.7475960444760263
Energy: 0.6817025159582398
Energy: 0.8423140123713853
Energy: 0.6186489191383657
Energy: 0.8423140123713853
Energy: 0.6289372508059502
Energy: 0.7247846184088598
Energy: 0.7450132003193319
Energy: 0.7247846184088598
Energy: 0.6238895190373634
Energy: 0.7734024608566932
Energy: 0.63328289342214
Energy: 0.7734024608566932
Energy: 0.6208772363294002
Energy: 0.7562449904872526
Energy: 0.7422428468323657
Energy: 0.7562449904872526
Energy: 0.6194192912948204
Energy: 0.7858562628790043
Energy: 0.6333819704260975
Energy: 0.7858562628790043
Energy: 0.6349060449015468
Energy: 0.7173473220224561
Energy: 0.687615371440417
Energy: 0.7173473220224561
Energy: 0.6281571633820537
Energy: 0.7018779561587403
Energy: 0.6463690805245843
Energy: 0.7018779561587403
Energy: 0.6873539637487994
Energy: 0.7049196570319702
Energy: 0.6672785154929114
Energy: 0.7049196570319702
Energy: 0.686977082487953
Energy: 0.7187428199036717
Energy: 0.6663027334680467
Energy: 0.7187428199036717
Energy: 0.627877634489128
Energy: 0.7179279201627239
Energy: 0.6453050161267145
Energy: 0.7179279201627239
Energy: 0.627431487591023
Energy: 0.7446287000067983
Energy: 0.7265564141229495
Energy: 0.7446287000067983
Energy: 0.6143432981517939
Energy: 0.7984821468515035
Energy: 0.6350094341987047
Energy: 0.7984821468515035
Energy: 0.612355298272746
Energy: 0.7430714687311183
Energy: 0.7472790314942814
Energy: 0.7430714687311183
Energy: 0.6738493928388359
Energy: 0.7395606385854169
Energy: 0.6415494052709655
Energy: 0.7395606385854169
Energy: 0.6289621280458747
Energy: 0.7010941011806492
Energy: 0.6832542418607953
Energy: 0.7010941011806492
Energy: 0.7235015488965173
Energy: 0.8470051078904465
Energy: 0.6158450788371453
Energy: 0.8470051078904465
Energy: 0.7527601851147527
Energy: 0.7475960444760263
Energy: 0.7845822472543078
Energy: 0.7475960444760263
Energy: 0.6817025159582398
Energy: 0.8423140123713853
Energy: 0.6186489191383657
Energy: 0.8423140123713853
Energy: 0.6289372508067881
Energy: 0.7247846184088598
Energy: 0.7450132003193319
Energy: 0.7247846184080218
Energy: 0.6238895190373634
Energy: 0.7734024608566932
Energy: 0.63328289342214
Energy: 0.7734024608566932
Energy: 0.6208772363294002
Energy: 0.7562449904872526
Energy: 0.7422428468323657
Energy: 0.7562449904872526
Energy: 0.6194192912956584
Energy: 0.7858562628790043
Energy: 0.6333819704260975
Energy: 0.7858562628790043
Energy: 0.6349060449015468
Energy: 0.7173473220224561
Energy: 0.7340899945714479
Energy: 0.7173473220224561

minimum gb energy = 0.612355298272746 eV
minimum distance =  2.54558152518713 Angstroms
sigma value = 17


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

Energy: 0.6657065214008112
Energy: 0.6663486718665693
Energy: 0.7704296903819426
Energy: 0.6663486718665693
Energy: 0.8046547123636055
Energy: 0.7744863828390175
Energy: 0.6282087257444493
Energy: 0.7744863828390175
Energy: 0.6303922600233013
Energy: 0.693519687532126
Energy: 0.7951712953250722
Energy: 0.693519687532126
Energy: 0.6937841904922126
Energy: 0.7341568243003852
Energy: 0.6238139491078281
Energy: 0.7341568242998673
Energy: 0.6294500885086424
Energy: 0.7537973880347408
Energy: 0.7568031308102565
Energy: 0.7537973880347408
Energy: 0.6361701768847513
Energy: 0.8268403853475235
Energy: 0.6294026322673736
Energy: 0.8268403853475235
Energy: 0.633886766718098
Energy: 0.7262883454162044
Energy: 0.6812128709012958
Energy: 0.7262883454167224
Energy: 0.6257008973769909
Energy: 0.7304320858099886
Energy: 0.6307506539959697
Energy: 0.7304320858099886
Energy: 0.6732943264389557
Energy: 0.7419442441721427
Energy: 0.6721606900648223
Energy: 0.7419442441716247
Energy: 0.6737909944016278
Energy: 0.805152553944541
Energy: 0.6352895474218875
Energy: 0.8051525539440232
Energy: 0.6320007660123604
Energy: 0.7869660830859295
Energy: 0.6351895692701991
Energy: 0.7869660830864474
Energy: 0.6338729938650717
Energy: 0.6740311586443648
Energy: 0.634143153595604
Energy: 0.6740311586443648
Energy: 0.6332621594586266
Energy: 0.7786040284350735
Energy: 0.6285395890041378
Energy: 0.7786040284350735
Energy: 0.6358857250630618
Energy: 0.7483716224218105
Energy: 0.6857429048782618
Energy: 0.7483716224223285
Energy: 0.6351276170010955
Energy: 0.7716162019741153
Energy: 0.6725221015265695
Energy: 0.7716162019746332
Energy: 0.6324329588268002
Energy: 0.7280145328910735
Energy: 0.7455930760383466
Energy: 0.7280145328915915
Energy: 0.6619396937404471
Energy: 0.7292416686492913
Energy: 0.6284322842456712
Energy: 0.7292416686492913
Energy: 0.6184047301433279
Energy: 0.697404380291343
Energy: 0.6539982676921744
Energy: 0.697404380291343
Energy: 0.7505553401477802
Energy: 0.7935833491591882
Energy: 0.6286333804295309
Energy: 0.7935833491597061
Energy: 0.6233426793564255
Energy: 0.6614833274052181
Energy: 0.7998914188382296
Energy: 0.6614833274047002
Energy: 0.8472504142375813
Energy: 0.7174515901065752
Energy: 0.623883327432423
Energy: 0.7174515901070931
Energy: 0.6237361404629758
Energy: 0.747871617717663
Energy: 0.7153851475685035
Energy: 0.747871617717663
Energy: 0.8483273963880051
Energy: 0.7270047977328746
Energy: 0.6247271968313237
Energy: 0.7270047977323567
Energy: 0.6294874725631734
Energy: 0.7315247825015888
Energy: 0.7698010917024429
Energy: 0.7315247825015888
Energy: 0.6889726803060418
Energy: 0.697301464687961
Energy: 0.6192212086290233
Energy: 0.697301464688479
Energy: 0.6295559834469514
Energy: 0.7011058722615996
Energy: 0.6603814950958244
Energy: 0.7011058722615996
Energy: 0.7237922067188106
Energy: 0.8104218622967188
Energy: 0.6306840789998783
Energy: 0.8104218622962007
Energy: 0.6752381588336939
Energy: 0.7603930969830822
Energy: 0.6338034157127103
Energy: 0.7603930969830822
Energy: 0.6823384045644301
Energy: 0.7344307406015967
Energy: 0.6364482638908986
Energy: 0.7344307406021148
Energy: 0.6238824634710461
Energy: 0.7778003754383345
Energy: 0.680252960445533
Energy: 0.7778003754383345
Energy: 0.6331201501111898
Energy: 0.706671319962722
Energy: 0.6355116598155064
Energy: 0.706671319962204
Energy: 0.6300955347145326
Energy: 0.788928664191782
Energy: 0.6270533157334773
Energy: 0.788928664191782
Energy: 0.6329534372695516
Energy: 0.7949995524174046
Energy: 0.7459879256585811
Energy: 0.7949995524174046
Energy: 0.6763920292020036
Energy: 0.7431116122788091
Energy: 0.63460283251596
Energy: 0.7431116122788091
Energy: 0.6299995915337396
Energy: 0.7331277518970049
Energy: 0.6563624847087002
Energy: 0.7331277518964868
Energy: 0.6909187140867676
Energy: 0.7473222975676084
Energy: 0.630145186117896
Energy: 0.7473222975676084
Energy: 0.6247369009201147
Energy: 0.8236524600957144
Energy: 0.7947696716357098
Energy: 0.8236524600951963
Energy: 0.7803349461643312
Energy: 0.7476753080274937
Energy: 0.6297066712850548
Energy: 0.7476753080274937

minimum gb energy = 0.6184047301433279 eV
minimum distance =  2.53649970442582 Angstroms
sigma value = 89


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

Energy: 0.58125914364972
Energy: 0.5813790305483523
Energy: 0.6590203639427961
Energy: 0.5813790305483523
Energy: 0.5826668832276358
Energy: 0.5960644769186931
Energy: 0.5929383023982105
Energy: 0.5960644769186931
Energy: 0.5907024955068685
Energy: 0.7060771443655697
Energy: 0.6548204058314033
Energy: 0.7060771443655697
Energy: 0.6117137707585406
Energy: 0.5958752081452278
Energy: 0.5928564524250859
Energy: 0.5958752081452278
Energy: 0.5914010363730544
Energy: 0.6700723881163407
Energy: 0.837081001941243
Energy: 0.6700723881163407
Energy: 0.5908676602024795
Energy: 0.5816407048415985
Energy: 0.5847074571609301
Energy: 0.5816407048415985
Energy: 0.5906235179740088
Energy: 0.7069533962260391
Energy: 0.5824903714215589
Energy: 0.7069533962273943
Energy: 0.6312273651104986
Energy: 0.7062049334722285
Energy: 0.5927779818814519
Energy: 0.7062049334722285
Energy: 0.5910799703488543
Energy: 0.6324654251126255
Energy: 0.6104367808203222
Energy: 0.6324654251126255
Energy: 0.6161886095109379
Energy: 0.6699594346531306
Energy: 0.5839174339887192
Energy: 0.6699594346531306
Energy: 0.5814962992206025
Energy: 0.5962581483166964
Energy: 0.5904961135136608
Energy: 0.5962581483166964
Energy: 0.582151784318118
Energy: 0.6680787810993443
Energy: 0.5922989556902236
Energy: 0.6680787810993443
Energy: 0.591044297603825
Energy: 0.6702826548907004
Energy: 0.5874028914779298
Energy: 0.6702826548907004
Energy: 0.5912442748347954
Energy: 0.6309203872129434
Energy: 0.5912338402879342
Energy: 0.6309203872129434
Energy: 0.6318337492639688
Energy: 0.6702552582501803
Energy: 0.5910452029327194
Energy: 0.6702552582488251

minimum gb energy = 0.58125914364972 eV
minimum distance =  2.55228571724623 Angstroms
sigma value = 13


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

Energy: 0.5814913112956843
Energy: 0.7042725606778076
Energy: 0.746023973454071
Energy: 0.7042725606761037
Energy: 0.7438813096177072
Energy: 0.7123676207718782
Energy: 0.5691888335452014
Energy: 0.7123676207713102
Energy: 0.5692521613281472
Energy: 0.7357709252617028
Energy: 0.8182512620485862
Energy: 0.7357709252611349
Energy: 0.5727158878780876
Energy: 0.7120523145233213
Energy: 0.57060346655426
Energy: 0.7120523145233213
Energy: 0.5786709907083349
Energy: 0.7580846327758489
Energy: 0.6007967056442303
Energy: 0.7580846327752809
Energy: 0.8304078700500557
Energy: 0.6465339395055331
Energy: 0.5721700505350855
Energy: 0.6465339395055331
Energy: 0.5785014759183782
Energy: 0.748289878994115
Energy: 0.7077473202841376
Energy: 0.748289878994115
Energy: 0.572619529138514
Energy: 0.7413671748105409
Energy: 0.572080285625965
Energy: 0.7413671748105409
Energy: 0.5776826780638687
Energy: 0.7482298721045251
Energy: 0.6392887577140636
Energy: 0.7482298720897571
Energy: 0.6724544547121707
Energy: 0.7660584336116206
Energy: 0.5707678409676853
Energy: 0.7660584336116206
Energy: 0.5785838004048566
Energy: 0.7044621187113611
Energy: 0.5841303774776457
Energy: 0.7044621187113611
Energy: 0.7047272284158357
Energy: 0.7450316470710046
Energy: 0.5761864760252986
Energy: 0.7450316470715725
Energy: 0.5894292874425767
Energy: 0.7589307801244118
Energy: 0.5836324248272476
Energy: 0.7589307801244118
Energy: 0.7149498685125801
Energy: 0.7541660119753836
Energy: 0.5764775367232805
Energy: 0.7541660119759517
Energy: 0.5786141531790666
Energy: 0.7267731980290447
Energy: 0.5742436236268055
Energy: 0.7267731980290447
Energy: 0.5662802726117107
Energy: 0.6741017652777793
Energy: 0.5765083322319462
Energy: 0.6741017652777793
Energy: 0.5767376101244831
Energy: 0.7267233488433777
Energy: 0.5765653252776343
Energy: 0.7267233488433777
Energy: 0.5904828301610641
Energy: 0.7801981452858895
Energy: 0.5809838672720736
Energy: 0.7801981452853214
Energy: 0.5751184462431688
Energy: 0.770845514670193
Energy: 0.5812857620731121
Energy: 0.770845514670193
Energy: 0.5750452806759937
Energy: 0.7707114206323276
Energy: 0.5812626621358837
Energy: 0.7707114206323276
Energy: 0.5904942568267064
Energy: 0.7802227602116272
Energy: 0.5809759299586078
Energy: 0.7802227602116272
Energy: 0.5748095414888574
Energy: 0.7267579323845784
Energy: 0.5766095532603605
Energy: 0.7267579323845784
Energy: 0.566263469669623
Energy: 0.6741835240453622
Energy: 0.5765044369138007
Energy: 0.6741835240453622
Energy: 0.5786080729910028
Energy: 0.7269911059182981
Energy: 0.5930764953653659
Energy: 0.7269911059188661
Energy: 0.7148765857906098
Energy: 0.7542285088915107
Energy: 0.5764549776461341
Energy: 0.7542285088909427
Energy: 0.58893283503628
Energy: 0.7591148974439095
Energy: 0.5933752927988195
Energy: 0.7591148974433415
Energy: 0.7045861912378915
Energy: 0.7455423025637362
Energy: 0.5760506236530177
Energy: 0.7455423025626002
Energy: 0.577267542276049
Energy: 0.7046875343530727
Energy: 0.6159613451502939
Energy: 0.7046875343530727
Energy: 0.6724877462115566
Energy: 0.7658587973480117
Energy: 0.5707595218618235
Energy: 0.7658587973480117
Energy: 0.5775343537711367
Energy: 0.7480941804935005
Energy: 0.7117511000122697
Energy: 0.7480941804940685
Energy: 0.5727748166026266
Energy: 0.7432080716836097
Energy: 0.5720808652484474
Energy: 0.7432080716830417
Energy: 0.5785485127465245
Energy: 0.7481101748266843
Energy: 0.7781994451436618
Energy: 0.7481101748266843
Energy: 0.8300061513122763
Energy: 0.6466027646889047
Energy: 0.5720601050940308
Energy: 0.6466027646889047
Energy: 0.5784917027887871
Energy: 0.7576332093056496
Energy: 0.6146757806630052
Energy: 0.7576332093050816
Energy: 0.5729976620758362
Energy: 0.7121567279166339
Energy: 0.5706094679990593
Energy: 0.7121567279160659

minimum gb energy = 0.566263469669623 eV
minimum distance =  2.41270380903046 Angstroms
sigma value = 37


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

Energy: 0.6068994877512869
Energy: 0.597438547428234
Energy: 0.6970219744165979
Energy: 0.597438547428234
Energy: 0.7850307703074061
Energy: 0.6432168713131998
Energy: 0.5252209874267003
Energy: 0.6432168713131998
Energy: 0.5317215761532731
Energy: 0.7853625173308426
Energy: 0.7382813087269031
Energy: 0.7853625173308426
Energy: 0.5734400343596993
Energy: 0.5927131641895417
Energy: 0.5275180812515182
Energy: 0.5927131641905189
Energy: 0.5253503680023243
Energy: 0.6390508711357894
Energy: 0.6868581981887016
Energy: 0.6390508711357894
Energy: 0.5504749678037135
Energy: 0.7018268273708375
Energy: 0.5876756997190062
Energy: 0.7018268273718146
Energy: 0.5322683901109809
Energy: 0.7818066770715526
Energy: 0.7047587283075325
Energy: 0.7818066770715526
Energy: 0.5145935438476431
Energy: 0.5330020439806961
Energy: 0.5347762750628572
Energy: 0.5330020439806961
Energy: 0.526935096346278
Energy: 0.6434425427466144
Energy: 0.6379028391030598
Energy: 0.6434425427466144
Energy: 0.6962923894751754
Energy: 0.7635044303006984
Energy: 0.5876599321649197
Energy: 0.7635044303006984
Energy: 0.5251285280674005
Energy: 0.7292563013838556
Energy: 0.5876014983576318
Energy: 0.7292563013838556
Energy: 0.6705425930780169
Energy: 0.6390683249021182
Energy: 0.5274325175339489
Energy: 0.6390683249021182
Energy: 0.5856613821781671
Energy: 0.697039075507571
Energy: 0.5295040739882971
Energy: 0.697039075507571
Energy: 0.7058407128771909
Energy: 0.7779057696918922
Energy: 0.5197541409911555
Energy: 0.7779057696918922
Energy: 0.6069072495350079
Energy: 0.609656160404822
Energy: 0.524532614565113
Energy: 0.609656160404822
Energy: 0.608107343779829
Energy: 0.632793554534534
Energy: 0.5250746230814375
Energy: 0.632793554534534
Energy: 0.5856019298986413
Energy: 0.7500377642920866
Energy: 0.5198836328392047
Energy: 0.7500377642920866
Energy: 0.5878347067976467
Energy: 0.7374589154754055
Energy: 0.5256078013000456
Energy: 0.7374589154754055
Energy: 0.5256844511962299
Energy: 0.6391668076480632
Energy: 0.5253658627221868
Energy: 0.6391668076490404
Energy: 0.5252091676943373
Energy: 0.7093114785787745
Energy: 0.585651222441755
Energy: 0.7093114785777973

minimum gb energy = 0.5145935438476431 eV
minimum distance =  2.52858828296734 Angstroms
sigma value = 25


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

Energy: 0.5494704512662734
Energy: 0.7309994528526123
Energy: 0.48579147399922235
Energy: 0.7309994528526123
Energy: 0.7066786975944018
Energy: 0.6458698093848555
Energy: 0.4754879329404553
Energy: 0.6458698093848555
Energy: 0.5246445486730448
Energy: 0.5183674041414079
Energy: 0.6764445094534003
Energy: 0.5183674041414079
Energy: 0.6049232367524394
Energy: 0.6135065646267357
Energy: 0.47632902652680903
Energy: 0.6135065646267357
Energy: 0.48100722030394466
Energy: 0.6462791689579102
Energy: 0.560092042263556
Energy: 0.6462791689571471
Energy: 0.5087821719773687
Energy: 0.6457879205203281
Energy: 0.4827601688777609
Energy: 0.6457879205203281
Energy: 0.47561878454454115
Energy: 0.557777603748362
Energy: 0.6595405579664826
Energy: 0.557777603748362
Energy: 0.4790395346440667
Energy: 0.6165141238684567
Energy: 0.5256794153467754
Energy: 0.6165141238684567
Energy: 0.4748030934578917
Energy: 0.6473177277462827
Energy: 0.7257090282375744
Energy: 0.6473177277455197
Energy: 0.46306305497110556
Energy: 0.6404008235644215
Energy: 0.49487069972361925
Energy: 0.6404008235644215
Energy: 0.4756934638115925
Energy: 0.5571411956572723
Energy: 0.6453110054074919
Energy: 0.5571411956572723
Energy: 0.5999398021409714
Energy: 0.6994548514186877
Energy: 0.525814417827879
Energy: 0.6994548514186877
Energy: 0.47732103865453224
Energy: 0.614552186304419
Energy: 0.605273300481359
Energy: 0.614552186304419
Energy: 0.6210848897445174
Energy: 0.686698628258075
Energy: 0.4829263340245618
Energy: 0.686698628258075
Energy: 0.4829970026247526
Energy: 0.6011331543781401
Energy: 0.5148891833808493
Energy: 0.6011331543781401
Energy: 0.6411065868895804
Energy: 0.7001549508921497
Energy: 0.4746688033160852
Energy: 0.7001549508913866
Energy: 0.5288665660495857
Energy: 0.6176017625885968
Energy: 0.4706323003785733
Energy: 0.6176017625885968
Energy: 0.6235421932785279
Energy: 0.6668916920340071
Energy: 0.4756879794749216
Energy: 0.6668916920340071
Energy: 0.5535052743615753
Energy: 0.6749655100761757
Energy: 0.46870672613166503
Energy: 0.6749655100761757
Energy: 0.7348223811154206
Energy: 0.6842481294697074
Energy: 0.4749952233827447
Energy: 0.6842481294697074
Energy: 0.528883494499421
Energy: 0.6996492131905926
Energy: 0.4740437004091864
Energy: 0.6996492131905926
Energy: 0.5261226279805978
Energy: 0.6337235209876183
Energy: 0.4802602894230404
Energy: 0.6337235209868551
Energy: 0.48294222604764253
Energy: 0.6964223294208062
Energy: 0.6225670135329586
Energy: 0.6964223294200432
Energy: 0.5148398939084287
Energy: 0.6946373846241012
Energy: 0.4804963057359764
Energy: 0.6946373846233382
Energy: 0.47493160592865863
Energy: 0.700223339670084
Energy: 0.6704656227500413
Energy: 0.700223339670084
Energy: 0.46936637996018205
Energy: 0.6369716014298814
Energy: 0.5249470035832936
Energy: 0.6369716014298814

minimum gb energy = 0.46306305497110556 eV
minimum distance =  2.50952663630163 Angstroms
sigma value = 41


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

Energy: 0.596631710778252
Energy: 0.5722415009769147
Energy: 0.662467415408573
Energy: 0.5722415009756635
Energy: 0.6799405384056413
Energy: 0.5670949504605346
Energy: 0.42833050229095593
Energy: 0.5670949504611603
Energy: 0.4378788258037754
Energy: 0.5645030119182566
Energy: 0.835580058943046
Energy: 0.5645030119182566
Energy: 0.5239928226645721
Energy: 0.5674466668984155
Energy: 0.42850009077518475
Energy: 0.5674466668977899
Energy: 0.42513115603378265
Energy: 0.5783674478307006
Energy: 0.461460719115411
Energy: 0.5783674478313262
Energy: 0.5964012496409243
Energy: 0.5677982212568013
Energy: 0.4283209831074095
Energy: 0.5677982212568013
Energy: 0.42776929712297773
Energy: 0.5674851588166164
Energy: 0.6351788312673169
Energy: 0.5674851588166164
Energy: 0.42406127913762426
Energy: 0.5065626393301595
Energy: 0.42569320634689684
Energy: 0.5065626393301595
Energy: 0.4301372152558103
Energy: 0.6135302236411202
Energy: 0.6121713625329509
Energy: 0.6135302236411202
Energy: 0.427330018066097
Energy: 0.5651268530475044
Energy: 0.43859398200329486
Energy: 0.5651268530443762
Energy: 0.42772453968073476
Energy: 0.5674384652351645
Energy: 0.6771363632716383
Energy: 0.5674384652351645
Energy: 0.4217721568337174
Energy: 0.571264852209406
Energy: 0.597301636883397
Energy: 0.5712648521968939
Energy: 0.43008671997159525
Energy: 0.6141526467576697
Energy: 0.6769578594069124
Energy: 0.6141526467582952
Energy: 0.48883361901175637
Energy: 0.7012525232966212
Energy: 0.43856494446736605
Energy: 0.7012525232959956
Energy: 0.42787053377355283
Energy: 0.5914652570443715
Energy: 0.578308441675467
Energy: 0.5914652570456227
Energy: 0.5396989688925927
Energy: 0.6213678010287113
Energy: 0.4257252294124818
Energy: 0.6213678010287113
Energy: 0.43016826223417914
Energy: 0.6131195689130043
Energy: 0.5396337134449798
Energy: 0.61311956891363
Energy: 0.5292275483974568
Energy: 0.7041118415789749
Energy: 0.4283663697684572
Energy: 0.7041118415789749
Energy: 0.42778690876967684
Energy: 0.5299077822169753
Energy: 0.4246245999821813
Energy: 0.5299077822163498
Energy: 0.5106147425149494
Energy: 0.6210843040010594
Energy: 0.43299623626248235
Energy: 0.6210843040004339
Energy: 0.44041527309648226
Energy: 0.6431950165222149
Energy: 0.4333477010956997
Energy: 0.6431950165222149
Energy: 0.6748987170516375
Energy: 0.6869257713641694
Energy: 0.42823317400442773
Energy: 0.6869257713641694
Energy: 0.5990793059615046
Energy: 0.5959150096148235
Energy: 0.4251969615525777
Energy: 0.5959150096148235
Energy: 0.6026454253895019
Energy: 0.6132059428937321
Energy: 0.4325824869547285
Energy: 0.6132059428937321
Energy: 0.4405985772761123
Energy: 0.6716661279254668
Energy: 0.4291014289170643
Energy: 0.6716661279254668
Energy: 0.5835422655782704
Energy: 0.6787400054155458
Energy: 0.4283660752048255
Energy: 0.6787400054149201
Energy: 0.42778449304036087
Energy: 0.6221678625504968
Energy: 0.5312345595490241
Energy: 0.6221678625504968
Energy: 0.42552955498046685
Energy: 0.6132685091030111
Energy: 0.4327860826969268
Energy: 0.6132685091023854
Energy: 0.43016172865092533
Energy: 0.6503308432057123
Energy: 0.5290633371496077
Energy: 0.6503308432057123
Energy: 0.42446993079979617
Energy: 0.6330564495249337
Energy: 0.43071338745619503
Energy: 0.6330564495249337
Energy: 0.43333807790951534
Energy: 0.622084665381655
Energy: 0.5099688523965492
Energy: 0.6220846653822807
Energy: 0.4248634573421302
Energy: 0.6336835352996438
Energy: 0.44350951765163854
Energy: 0.6336835352996438

minimum gb energy = 0.4217721568337174 eV
minimum distance =  2.49815272436722 Angstroms
sigma value = 15


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

Energy: 0.5431364811754888
Energy: 0.6634209086446848
Energy: 0.6587683013551918
Energy: 0.6634209086446848
Energy: 0.6188478448208627
Energy: 0.6021847498017617
Energy: 0.40025026199444586
Energy: 0.6021847498017617
Energy: 0.4113952042799667
Energy: 0.513288415749091
Energy: 0.3994318372382724
Energy: 0.5132884157485612
Energy: 0.6181559442658651
Energy: 0.600283091622935
Energy: 0.40032946113001494
Energy: 0.600283091622935
Energy: 0.3984265506219509
Energy: 0.7111432687325574
Energy: 0.623480245859062
Energy: 0.7111432687325574
Energy: 0.5257000240304632
Energy: 0.6007846336488286
Energy: 0.40043667711146197
Energy: 0.6007846336488286
Energy: 0.399894619938983
Energy: 0.5177925117710708
Energy: 0.4242821254983401
Energy: 0.5177925117737207
Energy: 0.4514206376698158
Energy: 0.5170198525357018
Energy: 0.4004167885274067
Energy: 0.5170198525362317
Energy: 0.40165285867833506
Energy: 0.6665772544137691
Energy: 0.6052648570378654
Energy: 0.6665772544137691
Energy: 0.3906534139543995
Energy: 0.6333186682686561
Energy: 0.3987715018428622
Energy: 0.6333186682686561
Energy: 0.39994995403508254
Energy: 0.5641802548628787
Energy: 0.6181968416457484
Energy: 0.5641802548623488
Energy: 0.39319845723409064
Energy: 0.5130135197245704
Energy: 0.41170846364074226
Energy: 0.5130135197298701
Energy: 0.4015101717356654
Energy: 0.6355018225426954
Energy: 0.7260183731111579
Energy: 0.6355018225426954
Energy: 0.38919050289837265
Energy: 0.6632189302460093
Energy: 0.5435082027651628
Energy: 0.6632189302460093
Energy: 0.3999916156181642
Energy: 0.5627728904634008
Energy: 0.7016012973147496
Energy: 0.5627728904639309
Energy: 0.4654247542490004
Energy: 0.513105843235659
Energy: 0.41182414533582135
Energy: 0.513105843237249
Energy: 0.40151641802198923
Energy: 0.6302959908277012
Energy: 0.6141725751205714
Energy: 0.6302959908271711
Energy: 0.5017227904904312
Energy: 0.6460282484864609
Energy: 0.39883601820473324
Energy: 0.6460282484864609
Energy: 0.4000920235970257
Energy: 0.5653165525756788
Energy: 0.5264495938142304
Energy: 0.5653165525756788
Energy: 0.48296709952623174
Energy: 0.566439281593256
Energy: 0.40028493229634954
Energy: 0.5664392815937859
Energy: 0.40163830228821223
Energy: 0.5683655513166888
Energy: 0.45441339384184626
Energy: 0.5683655513188086
Energy: 0.4795751404360599
Energy: 0.6427164068709343
Energy: 0.4034581211928427
Energy: 0.6427164068709343
Energy: 0.3999355248792884
Energy: 0.57365591637528
Energy: 0.39099365430554794
Energy: 0.57365591637528
Energy: 0.5927543504226457
Energy: 0.5650595926000301
Energy: 0.40020841803594454
Energy: 0.5650595926000301
Energy: 0.4130040677882481
Energy: 0.5896246803938515
Energy: 0.3972035059451752
Energy: 0.5896246803938515
Energy: 0.631260864977377
Energy: 0.6214465455299161
Energy: 0.40336573865238545
Energy: 0.6214465455299161
Energy: 0.5445452013903315
Energy: 0.5915097618333884
Energy: 0.4042634522676872
Energy: 0.5915097618333884
Energy: 0.6996299887502219
Energy: 0.5544465037072527
Energy: 0.4003163636005899
Energy: 0.5544465037072527
Energy: 0.41300621229822937
Energy: 0.6574606012118527
Energy: 0.40732577406242
Energy: 0.6574606012113227
Energy: 0.5275982790836111
Energy: 0.6365157107582315
Energy: 0.40338584815198486
Energy: 0.6365157107582315
Energy: 0.39988940549596896
Energy: 0.61337118179711
Energy: 0.4830607890612448
Energy: 0.61337118179711
Energy: 0.5216529328543374
Energy: 0.5571575324101561
Energy: 0.40047178741517486
Energy: 0.5571575324096262
Energy: 0.4015237481476048
Energy: 0.6574300309645974
Energy: 0.48172876408791243
Energy: 0.6574300309645974
Energy: 0.3913767354261874
Energy: 0.573152038801072
Energy: 0.4034215509620272
Energy: 0.573152038801072
Energy: 0.3984438114332721
Energy: 0.612019226242045
Energy: 0.4796602286320275
Energy: 0.612019226242045
Energy: 0.39123147416766396
Energy: 0.5782449181842264
Energy: 0.4019289610735315
Energy: 0.5782449181847565
Energy: 0.40136795512976914
Energy: 0.6573463396498805
Energy: 0.604806865608468
Energy: 0.6573463396498805

minimum gb energy = 0.38919050289837265 eV
minimum distance =  2.51297172612883 Angstroms
sigma value = 85


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

Energy: 0.5066249333620938
Energy: 0.5997539751435323
Energy: 0.5015278271928879
Energy: 0.5997539751435323
Energy: 0.6411069779762238
Energy: 0.5379731715719936
Energy: 0.3641909202828103
Energy: 0.537973171571534
Energy: 0.4882750988286929
Energy: 0.47009379787267896
Energy: 0.41056221475342863
Energy: 0.47009379787221933
Energy: 0.5636679236870915
Energy: 0.5381391199411472
Energy: 0.3642157898846236
Energy: 0.5381391199406876
Energy: 0.37770218819232076
Energy: 0.4587194072916727
Energy: 0.4018082418566738
Energy: 0.4587194072916727
Energy: 0.5898283413574498
Energy: 0.538011075104894
Energy: 0.364331706252214
Energy: 0.5380110751044342
Energy: 0.3620976118500317
Energy: 0.4781385929673847
Energy: 0.41002598145506763
Energy: 0.478138592966925
Energy: 0.46526401614378954
Energy: 0.5379788211781567
Energy: 0.3642057757932341
Energy: 0.5379788211776969
Energy: 0.3638165701091537
Energy: 0.4636709744722723
Energy: 0.4466733107859593
Energy: 0.46367097447273187
Energy: 0.40445011525575736
Energy: 0.47808571267000766
Energy: 0.362530961490647
Energy: 0.47808571267000766
Energy: 0.3655632674416658
Energy: 0.5381835879198665
Energy: 0.59968209935705
Energy: 0.5381835879184875
Energy: 0.35209113079142795
Energy: 0.5547323762709392
Energy: 0.3781241875897438
Energy: 0.5547323762713988
Energy: 0.3637833930865465
Energy: 0.4637793560623054
Energy: 0.609204748837329
Energy: 0.4637793560623054
Energy: 0.3551516225607532
Energy: 0.4698524285146958
Energy: 0.48868120729549247
Energy: 0.46985242851423603
Energy: 0.36541486387631333
Energy: 0.5380349977312593
Energy: 0.6898525573414028
Energy: 0.5380349977307994
Energy: 0.35084385084514175
Energy: 0.5995961780173761
Energy: 0.5069981826632153
Energy: 0.5995961780169164
Energy: 0.36385352167842494
Energy: 0.4827131549382673
Energy: 0.7188555711291643
Energy: 0.4827131549378077
Energy: 0.3980411672435182
Energy: 0.46999699811580575
Energy: 0.48874231499649057
Energy: 0.4699969981135075
Energy: 0.36551929536714806
Energy: 0.5122788656456385
Energy: 0.6240455318102296
Energy: 0.5122788656456385
Energy: 0.4337234065280857
Energy: 0.6196130175182809
Energy: 0.3780867847590155
Energy: 0.6196130175178213
Energy: 0.3638736065786234
Energy: 0.48281688812066376
Energy: 0.5406957205172137
Energy: 0.48281688812066376
Energy: 0.43218945986973206
Energy: 0.5199324120391157
Energy: 0.36254234686751663
Energy: 0.5199324120391157
Energy: 0.36550238829873605
Energy: 0.512197722910164
Energy: 0.45619300575190896
Energy: 0.512197722910164
Energy: 0.43187922650823724
Energy: 0.5819069387251019
Energy: 0.3643039631430748
Energy: 0.5819069387251019
Energy: 0.3637645246889162
Energy: 0.443934486975772
Energy: 0.40445539103740347
Energy: 0.443934486975772
Energy: 0.6109471440580413
Energy: 0.5115913335631794
Energy: 0.36567566279369873
Energy: 0.5115913335631794
Energy: 0.3793090196819328
Energy: 0.5280923440177808
Energy: 0.3521794040193162
Energy: 0.5280923440177808
Energy: 0.5228569619352271
Energy: 0.582545791741295
Energy: 0.3642096154008227
Energy: 0.5825457917417546
Energy: 0.48995357648386717
Energy: 0.48941301610777166
Energy: 0.35520020796300905
Energy: 0.48941301610777166
Energy: 0.6885526452685178
Energy: 0.5104354738423731
Energy: 0.36728188155909003
Energy: 0.5104354738423731
Energy: 0.5082505152026218
Energy: 0.5747160331334695
Energy: 0.35082290074034955
Energy: 0.5747160331334695
Energy: 0.6349548557242766
Energy: 0.5591156672089996
Energy: 0.36423134281308533
Energy: 0.5591156672089996
Energy: 0.48990668050196107
Energy: 0.4892440965912246
Energy: 0.3553343664412663
Energy: 0.4892440965912246
Energy: 0.6266291262513612
Energy: 0.5122518691696905
Energy: 0.3669946561878656
Energy: 0.5122518691701502
Energy: 0.37934366337369774
Energy: 0.5977670371591031
Energy: 0.43347771562078125
Energy: 0.5977670371591031
Energy: 0.4708836579098049
Energy: 0.5840163598578259
Energy: 0.364216146802544
Energy: 0.5840163598578259
Energy: 0.36386223550101926
Energy: 0.5102120314786938
Energy: 0.4319217283956413
Energy: 0.5102120314786938
Energy: 0.45624572326012514
Energy: 0.5300957073829703
Energy: 0.36734042384466287
Energy: 0.5300957073829703
Energy: 0.36545571328947773
Energy: 0.5977555144765706
Energy: 0.43143266880736253
Energy: 0.5977555144765706
Energy: 0.35455338742402204
Energy: 0.5307844328680654
Energy: 0.36570967059382625
Energy: 0.5307844328685251
Energy: 0.36398770476033093
Energy: 0.5102237231032528
Energy: 0.5330148968950675
Energy: 0.5102237231032528
Energy: 0.3523319098552694
Energy: 0.528050085064033
Energy: 0.3813340020040355
Energy: 0.528050085064033
Energy: 0.3653448173475207
Energy: 0.570883144375405
Energy: 0.5314230025447234
Energy: 0.5708831443758647

minimum gb energy = 0.35082290074034955 eV
minimum distance =  2.5527873794761 Angstroms
sigma value = 113


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

Energy: 0.01172185129463193
Energy: 0.012546965799127188
Energy: 0.6397674067598066
Energy: 0.012546965799127188
Energy: 0.6392221288422373
Energy: 0.19393728640341207
Energy: 0.19388728883726156
Energy: 0.1939372864030587
Energy: 0.01172185129463193
Energy: 0.012546965799460911
Energy: 0.6397672454482549
Energy: 0.012546965799127188
Energy: 0.6392221288422373
Energy: 0.19393728640341207
Energy: 0.193888097440464
Energy: 0.19393728640341207
Energy: 0.01172185129463193
Energy: 0.012546965799460911
Energy: 0.6397670446103043
Energy: 0.012546965799127188
Energy: 0.6392221288422373
Energy: 0.19393728640341207
Energy: 0.1938884121060499
Energy: 0.19393728640341207

minimum gb energy = 0.01172185129463193 eV
minimum distance =  2.85511365073401 Angstroms
sigma value = 1