Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Au__MO_017524376569_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.056164935231209
cohesive_energy=3.8004338909439843
mass=196.9665
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=[9.864281100211199e-20, 1.6092101894232597e-19, 2.1452664476269797e-19, 2.62213830097074e-19, 3.04448808345948e-19, 3.42330672680244e-19, 3.76466648044248e-19, 4.07282913422604e-19, 4.3511111937855e-19, 4.60215625056696e-19, 4.82814326479266e-19, 5.03097882665706e-19, 5.212457373990239e-19, 5.374773888780779e-19, 5.51985098298948e-19, 5.64717596009346e-19, 5.756188058270819e-19, 5.84796073586634e-19, 5.923743690654539e-19, 5.98441811978412e-19, 6.030672959207699e-19, 6.063101014279859e-19, 6.082214981523479e-19, 6.08849551392876e-19, 6.0816702414679195e-19, 6.059432029788e-19, 6.018768786817079e-19, 5.95604357159598e-19, 5.86686642014754e-19, 5.74595014957956e-19, 5.58699820572042e-19, 5.38238422779228e-19, 5.122126655365319e-19, 4.79329592300316e-19, 4.38049511325306e-19, 3.86478649830114e-19, 3.2220252762730196e-19, 2.4210491116374e-19, 1.421677016590194e-19, 1.7168123721627e-20, -1.396634995800774e-19, -3.3778850192285397e-19, -5.902979481477899e-19, -9.14751533945862e-19, -1.336083934272012e-18, -1.89039218869026e-18, -2.6317032954757196e-18, -3.6420999679414794e-18, -5.0516148617029795e-18, -7.07948982735678e-18, -1.010561696659062e-17, -1.484286875093646e-17, -2.2754272773731395e-17, -3.7211353412966994e-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: -6.54468499397482e-28 eV

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

Energy: 0.011641786639152989
Energy: 0.070650657891182
Energy: 0.35445506085243184
Energy: 0.0706506578916525
Energy: 0.0706506578916525
Energy: 0.4247543474894626
Energy: 0.070650657891182
Energy: 0.4247543474899608
Energy: 0.35445506085243184
Energy: 0.0706506578921507
Energy: 0.011641786639152989
Energy: 0.070650657891182
Energy: 0.07065065789262123
Energy: 0.4247543474899608
Energy: 0.0706506578921507
Energy: 0.4247543474899608

minimum gb energy = 0.011641786639152989 eV
minimum distance =  2.79396573314474 Angstroms
sigma value = 1


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

Energy: 0.7721090457636217
Energy: 0.5780546465323736
Energy: 0.5784910976970464
Energy: 0.5780546465323736
Energy: 0.5499634760070115
Energy: 0.6060287282774767
Energy: 0.5512880736696697
Energy: 0.6060287282774767
Energy: 0.5768881482393529
Energy: 0.5785697280093122
Energy: 0.8395095108695559
Energy: 0.5785697280093122
Energy: 0.5518239280067269
Energy: 0.5501949738711426
Energy: 0.5511965437458433
Energy: 0.5501949738711426
Energy: 0.721471426359797
Energy: 0.550763576836041
Energy: 0.5509102500095713
Energy: 0.550763576836041
Energy: 0.57500731360115
Energy: 0.598585191058636
Energy: 0.5512173118819362
Energy: 0.598585191058636
Energy: 0.5745248527773126
Energy: 0.5747265135997259
Energy: 0.5726664011504338
Energy: 0.5747265135997259
Energy: 0.5754297393633554
Energy: 0.5748765637074862
Energy: 0.6095714667807229
Energy: 0.5748765637074862
Energy: 0.6322122317341551
Energy: 0.5873332267385362
Energy: 0.6072134352720943
Energy: 0.5873332267385362
Energy: 0.6213484393902536
Energy: 0.5882776339602402
Energy: 0.598709505919783
Energy: 0.5882776339602402
Energy: 0.596502980076569
Energy: 0.5875741642086855
Energy: 0.6332246505968312
Energy: 0.5875741642086855
Energy: 0.5758728039358776
Energy: 0.5861245716538848
Energy: 0.6110747349543216
Energy: 0.5861245716538848
Energy: 0.5723599773718571
Energy: 0.5732635139472344
Energy: 0.5519962123252663
Energy: 0.5732635139472344
Energy: 0.5742091545758334
Energy: 0.57489096650387
Energy: 0.5508555411531483
Energy: 0.57489096650387
Energy: 0.5495779717934932
Energy: 0.5501181860332831
Energy: 0.5501180428192978
Energy: 0.5501181860332831
Energy: 0.575744900803494
Energy: 0.5503877660476676
Energy: 0.5501416825951991
Energy: 0.5503877660476676
Energy: 0.5778713223476557
Energy: 0.5779835476618707
Energy: 0.5490502842848067
Energy: 0.5779835476618707
Energy: 0.5498400096729839
Energy: 0.5509892724881107
Energy: 0.548841455445786
Energy: 0.5509892724887149
Energy: 0.550082797817737
Energy: 0.5777307155831306
Energy: 0.5785767665742483
Energy: 0.5777307155831306
Energy: 0.5964893812276224
Energy: 0.5509591603785713
Energy: 0.5519370050930137
Energy: 0.550959160377967
Energy: 0.5515216298434578
Energy: 0.5521564489701445
Energy: 0.5713334373910359
Energy: 0.5521564489701445
Energy: 0.5515992096199335
Energy: 0.5510529377133926
Energy: 0.5747069855108259
Energy: 0.5510529377133926
Energy: 0.5741282606116886
Energy: 0.5745096759926102
Energy: 0.5728526806976361
Energy: 0.5745096759926102
Energy: 0.6102343301022018
Energy: 0.5758617897563274
Energy: 0.5795009332716549
Energy: 0.5758617897563274
Energy: 0.6063510371896217
Energy: 0.5871345024401516
Energy: 0.6319610363984622
Energy: 0.5871345024401516
Energy: 0.5993750218177302
Energy: 0.5860919854042071
Energy: 0.6220961536187424
Energy: 0.5860919854042071
Energy: 0.632319680293303
Energy: 0.5865600369157473
Energy: 0.5946747351860426
Energy: 0.5865600369157473
Energy: 0.6004938864081892
Energy: 0.5859909940002299
Energy: 0.5765924358398365
Energy: 0.5859909940002299
Energy: 0.5510842210694848
Energy: 0.5731633313523147
Energy: 0.5728138432250183
Energy: 0.5731633313517104
Energy: 0.5501032870922701
Energy: 0.5754395135518765
Energy: 0.574429218839511
Energy: 0.5754395135518765
Energy: 0.5506107168654448
Energy: 0.5504740875297773
Energy: 0.5509473990103365
Energy: 0.5504740875297773
Energy: 0.5502903803024874
Energy: 0.5505077298201817
Energy: 0.5744987486536678
Energy: 0.5505077298201817
Energy: 0.5483491541018
Energy: 0.5513502937058041
Energy: 0.578617703852631
Energy: 0.5513502937058041

minimum gb energy = 0.5483491541018 eV
minimum distance =  2.59733347819 Angstroms
sigma value = 1


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

Energy: 0.8821704679071645
Energy: 0.6007248293767407
Energy: 0.6002208675923274
Energy: 0.6007248293767407
Energy: 0.5733766838102444
Energy: 0.6305056489902456
Energy: 0.5747016501483423
Energy: 0.6305056489902456
Energy: 0.5995896725386545
Energy: 0.6021673973884879
Energy: 0.8113669326661566
Energy: 0.6021673973884879
Energy: 0.5778808604737409
Energy: 0.573534985766247
Energy: 0.5741485238423562
Energy: 0.573534985766247
Energy: 0.5719600818980733
Energy: 0.5732074161185903
Energy: 0.5726717990138147
Energy: 0.5732074161185903
Energy: 0.6083003805447015
Energy: 0.6242916695487757
Energy: 0.5728143418404816
Energy: 0.6242916695487757
Energy: 0.603668603657939
Energy: 0.60312024564897
Energy: 0.6055564898992968
Energy: 0.60312024564897
Energy: 0.6095878718887606
Energy: 0.6044512643810681
Energy: 0.6039873194272382
Energy: 0.6044512643810681
Energy: 0.6062232189861465
Energy: 0.6153302338776764
Energy: 0.6349057510837797
Energy: 0.6153302338776764
Energy: 0.6096377726272042
Energy: 0.6176067572371673
Energy: 0.6080685854445242
Energy: 0.6176067572371673
Energy: 0.5782846863084953
Energy: 0.601897354124498
Energy: 0.6067221447856083
Energy: 0.601897354124498
Energy: 0.575467568863114
Energy: 0.6024763208518927
Energy: 0.6117069126861173
Energy: 0.6024763208518927
Energy: 0.5729017257700619
Energy: 0.57343112010199
Energy: 0.5740433214362596
Energy: 0.57343112010199
Energy: 0.5727644580690878
Energy: 0.5734600522397214
Energy: 0.568871646729156
Energy: 0.5734600522397214
Energy: 0.5679257791460233
Energy: 0.6007220541120555
Energy: 0.599902969052677
Energy: 0.6007220541120555
Energy: 0.57439131218645
Energy: 0.5735888695133192
Energy: 0.5722287500612384
Energy: 0.5735888695133192
Energy: 0.6011572372788188
Energy: 0.6021941745400083
Energy: 0.5705922222591229
Energy: 0.6021941745400083
Energy: 0.5753005810022033
Energy: 0.574147388403835
Energy: 0.6279618988063566
Energy: 0.574147388403835
Energy: 0.5728137152216594
Energy: 0.5752186648739723
Energy: 0.5753783206618333
Energy: 0.5752186648732833
Energy: 0.6077783007278512
Energy: 0.5739118262871958
Energy: 0.5730662100802952
Energy: 0.5739118262871958
Energy: 0.6032361503925192
Energy: 0.6034577874426968
Energy: 0.6872152673343991
Energy: 0.6034577874426968
Energy: 0.6070196082432585
Energy: 0.6046899666939994
Energy: 0.6036227379344616
Energy: 0.6046899666939994
Energy: 0.6063497445037487
Energy: 0.6154834632373948
Energy: 0.6344010329926806
Energy: 0.6154834632373948
Energy: 0.6103410725261647
Energy: 0.6163663947189737
Energy: 0.606797791237232
Energy: 0.6163663947189737
Energy: 0.5770949918165108
Energy: 0.6017795101749104
Energy: 0.6067704800491639
Energy: 0.6017795101749104
Energy: 0.5751833705536707
Energy: 0.6024468018291862
Energy: 0.6112110929429914
Energy: 0.6024468018291862
Energy: 0.5729341432019929
Energy: 0.5734162283927872
Energy: 0.5741015407288595
Energy: 0.5734162283927872
Energy: 0.572906127329294
Energy: 0.5735115416133393
Energy: 0.568637339526074
Energy: 0.5735115416133393
Energy: 0.5677931511651839
Energy: 0.5749351710453384
Energy: 0.6010278946504769
Energy: 0.5749351710453384

minimum gb energy = 0.5677931511651839 eV
minimum distance =  2.59625994240484 Angstroms
sigma value = 25


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

Energy: 0.8461375722154912
Energy: 0.6246104584496434
Energy: 0.6246507513181999
Energy: 0.6246104584496434
Energy: 0.5989520680526974
Energy: 0.6544140498527262
Energy: 0.597911327069306
Energy: 0.6544140498527262
Energy: 0.6244562620915726
Energy: 0.6249074649068966
Energy: 0.595498389563131
Energy: 0.6249074649068966
Energy: 0.6017299780780303
Energy: 0.5983742074469397
Energy: 0.6006785078878324
Energy: 0.5983742074469397
Energy: 0.5961720335518481
Energy: 0.5979962193459523
Energy: 0.5993809494497836
Energy: 0.5979962193459523
Energy: 0.6263340019107402
Energy: 0.6168129377417526
Energy: 0.5990358919885992
Energy: 0.6168129377417526
Energy: 0.6266476218575342
Energy: 0.6376749460053964
Energy: 0.6479207116178208
Energy: 0.6376749460053964
Energy: 0.6264416605151593
Energy: 0.6390458849903629
Energy: 0.6143445782731192
Energy: 0.6390458849903629
Energy: 0.6515446816091643
Energy: 0.6365412690555267
Energy: 0.6087180216398937
Energy: 0.6365412690555267
Energy: 0.6266519187801526
Energy: 0.6374190883843297
Energy: 0.5989401569845947
Energy: 0.6374190883843297
Energy: 0.5888919506706185
Energy: 0.5981785007810165
Energy: 0.5965400961469135
Energy: 0.5981785007810165
Energy: 0.5872405778127245
Energy: 0.5990922203209482
Energy: 0.5976144388906459
Energy: 0.5990922203209482
Energy: 0.6242772984893179
Energy: 0.6247016239619739
Energy: 0.5872373952097815
Energy: 0.6247016239619739
Energy: 0.5988288261094914
Energy: 0.599086990024488
Energy: 0.6068078307967146
Energy: 0.599086990024488
Energy: 0.5941199730718679
Energy: 0.6256468405142018
Energy: 0.6269197788358771
Energy: 0.6256468405142018
Energy: 0.6215306448225419
Energy: 0.5981593196736087
Energy: 0.6259999328246748
Energy: 0.5981593196736087
Energy: 0.5997030731504764
Energy: 0.60158384078852
Energy: 0.5960691937535262
Energy: 0.60158384078852
Energy: 0.5989594047085518
Energy: 0.5989724650296586
Energy: 0.6027799687773291
Energy: 0.5989724650296586
Energy: 0.6492714184161222
Energy: 0.6391084279769712
Energy: 0.6285432762346616
Energy: 0.6391084279769712
Energy: 0.5985249236257563
Energy: 0.6385256751565184
Energy: 0.6277478060264895
Energy: 0.6385256751565184
Energy: 0.606152925125239
Energy: 0.6366704169143753
Energy: 0.6257081571417609
Energy: 0.6366704169135744
Energy: 0.6069378740402787
Energy: 0.636428606295213
Energy: 0.6265375531900889
Energy: 0.636428606295213
Energy: 0.5966780053782156
Energy: 0.5980082224794101
Energy: 0.5880194428803698
Energy: 0.5980082224786093
Energy: 0.5973814357891135
Energy: 0.5991885947969976
Energy: 0.5871648376337255
Energy: 0.5991885947969976
Energy: 0.58619431610145
Energy: 0.601180757665359
Energy: 0.6260684925362565
Energy: 0.601180757665359

minimum gb energy = 0.58619431610145 eV
minimum distance =  2.5938573543852 Angstroms
sigma value = 9


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

Energy: 0.7901804605697846
Energy: 0.6497038550368885
Energy: 0.6497170141914821
Energy: 0.6497038550368885
Energy: 0.6503086531711951
Energy: 0.676298064156954
Energy: 0.6292425994167247
Energy: 0.676298064156954
Energy: 0.6490164794096206
Energy: 0.6499887700352894
Energy: 0.6275270114607706
Energy: 0.6499887700352894
Energy: 0.6303745189878526
Energy: 0.6314198401696726
Energy: 0.6288283310306804
Energy: 0.6314198401696726
Energy: 0.6469509870224642
Energy: 0.6311943227540089
Energy: 0.628531519356524
Energy: 0.6311943227540089
Energy: 0.6305243062209056
Energy: 0.6306446061360084
Energy: 0.6316283130363884
Energy: 0.6306446061360084
Energy: 0.6467625487512432
Energy: 0.6779547506570712
Energy: 0.6312698232382289
Energy: 0.6779547506570712
Energy: 0.6321517001755401
Energy: 0.6797495424322262
Energy: 0.6303317256287909
Energy: 0.6797495424322262
Energy: 0.6275172496311547
Energy: 0.6306760075534259
Energy: 0.6043623756785012
Energy: 0.6306760075601132
Energy: 0.6292571221878114
Energy: 0.6309613119420847
Energy: 0.6039479928109031
Energy: 0.6309613119420847
Energy: 0.6020313473509958
Energy: 0.6501793656295204
Energy: 0.6488536311029003
Energy: 0.6501793656295204
Energy: 0.6473697887220197
Energy: 0.6306376218225282
Energy: 0.6297527349209072
Energy: 0.6306376218225282
Energy: 0.6498692941396547
Energy: 0.6502867281989273
Energy: 0.6260349406006523
Energy: 0.6502867281989273
Energy: 0.651690271040519
Energy: 0.6311687990166994
Energy: 0.6448087855651805
Energy: 0.6311687990166994
Energy: 0.6252448691609481
Energy: 0.6359868918440402
Energy: 0.6312113962377486
Energy: 0.6359868918440402
Energy: 0.6317721301395068
Energy: 0.6308979968742261
Energy: 0.632992029095827
Energy: 0.6308979968742261
Energy: 0.6536352763570448
Energy: 0.680286414612702
Energy: 0.630538431758076
Energy: 0.6802864146117467
Energy: 0.654442863367575
Energy: 0.6757380045186632
Energy: 0.6303566498894422
Energy: 0.6757380045186632
Energy: 0.627355131543838
Energy: 0.6305520007056107
Energy: 0.6048544182881891
Energy: 0.6305520007056107
Energy: 0.6295570773917162
Energy: 0.6317897383922192
Energy: 0.6037056271112985
Energy: 0.6317897383922192
Energy: 0.6015689841856833
Energy: 0.6365625225664829
Energy: 0.6505178853047927
Energy: 0.6365625225664829

minimum gb energy = 0.6015689841856833 eV
minimum distance =  2.58110819242492 Angstroms
sigma value = 25


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

Energy: 0.7076042705302238
Energy: 0.671904740436075
Energy: 0.6715792719614317
Energy: 0.671904740436075
Energy: 0.6749094334173653
Energy: 0.6678580861946385
Energy: 0.6381380101204952
Energy: 0.6678580861946385
Energy: 0.6708403819224236
Energy: 0.6719992283092656
Energy: 0.6184303071684816
Energy: 0.6719992283092656
Energy: 0.6741629725130259
Energy: 0.6683704474901667
Energy: 0.6395368529649961
Energy: 0.6683704474889851
Energy: 0.6326258647592408
Energy: 0.672326492270122
Energy: 0.6414518917642897
Energy: 0.672326492270122
Energy: 0.6232777430199945
Energy: 0.6719768405681935
Energy: 0.6413044208536685
Energy: 0.6719768405681935
Energy: 0.6175825054459264
Energy: 0.6724358670012212
Energy: 0.638778194063168
Energy: 0.6724358670012212
Energy: 0.617834782239311
Energy: 0.669670041917998
Energy: 0.6424350390638414
Energy: 0.669670041917998
Energy: 0.670828734778703
Energy: 0.672607936230364
Energy: 0.6180108686789092
Energy: 0.672607936230364
Energy: 0.6727041910418621
Energy: 0.672420677306966
Energy: 0.6172728405694002
Energy: 0.672420677306966
Energy: 0.6175775564338677
Energy: 0.6725760433449626
Energy: 0.6726650871382491
Energy: 0.6725760433449626
Energy: 0.6655596423390299
Energy: 0.6709420267293913
Energy: 0.6737247827504407
Energy: 0.6709420267293913
Energy: 0.6383672485808982
Energy: 0.6746186977111163
Energy: 0.6628051084990698
Energy: 0.6746186977111163
Energy: 0.642794282362712
Energy: 0.6739954038175727
Energy: 0.6247957590579571
Energy: 0.6739954038175727
Energy: 0.6428623660909623
Energy: 0.673201083983995
Energy: 0.6174272472154065
Energy: 0.673201083983995
Energy: 0.6412919008414579
Energy: 0.6738909645392545
Energy: 0.6177492804426968
Energy: 0.673890964540436
Energy: 0.6171088430125301
Energy: 0.6713218300519381
Energy: 0.6731826160168524
Energy: 0.6713218300495751

minimum gb energy = 0.6171088430125301 eV
minimum distance =  2.58116472768102 Angstroms
sigma value = 17


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

Energy: 0.9998507279848818
Energy: 0.7176781943698507
Energy: 0.7153776215708402
Energy: 0.7176781943698507
Energy: 0.662076386567705
Energy: 0.6778022874242664
Energy: 0.7105546078153482
Energy: 0.6778022874235974
Energy: 0.6600763862118113
Energy: 0.6603397066949002
Energy: 0.7116070766747413
Energy: 0.6603397066949002
Energy: 0.6622176771511257
Energy: 0.6959800774666356
Energy: 0.675002298082127
Energy: 0.6959800774673047
Energy: 0.6760866566497766
Energy: 0.7090387148643008
Energy: 0.662611971993361
Energy: 0.7090387148643008
Energy: 0.6780262302705904
Energy: 0.7027310070769972
Energy: 0.6773733111366815
Energy: 0.7027310070763282
Energy: 0.7088418654768742
Energy: 0.6604546232448697
Energy: 0.6594749757032983
Energy: 0.6604546232448697
Energy: 0.7183841008687863
Energy: 0.6761439963358612
Energy: 0.6603937269174222
Energy: 0.6761439963364999
Energy: 0.7193821038173231
Energy: 0.7182592769440249
Energy: 0.7111439742414684
Energy: 0.7182592769433559
Energy: 0.7181328211719066
Energy: 0.6997431510638129
Energy: 0.7057176137102732
Energy: 0.6997431510638129
Energy: 0.6730834511029545
Energy: 0.6597763226404744
Energy: 0.6456523659304995
Energy: 0.6597763226404744
Energy: 0.7165369440272119
Energy: 0.6587563356283378
Energy: 0.6512680439144647
Energy: 0.6587563356276687
Energy: 0.7121063997695398
Energy: 0.6646404232049615
Energy: 0.6586957169339623
Energy: 0.6646404232056307
Energy: 0.7126353687150916
Energy: 0.6752484162864525
Energy: 0.6455221471491938
Energy: 0.6752484162864525
Energy: 0.7180489759782577
Energy: 0.7143250847578341
Energy: 0.7170055781773579
Energy: 0.7143250847578341
Energy: 0.7182202650037854
Energy: 0.7042821149687559
Energy: 0.7174656439109648
Energy: 0.7042821149687559
Energy: 0.7133410372296008
Energy: 0.6755167444637759
Energy: 0.6614879949143712
Energy: 0.6755167444631067
Energy: 0.7236597331345046
Energy: 0.6755595368467696
Energy: 0.6586750457261221
Energy: 0.6755595368467696
Energy: 0.6816538643555724
Energy: 0.7138262256712188
Energy: 0.6763080315906616
Energy: 0.7138262256712188
Energy: 0.6823038548871323
Energy: 0.7108568980331653
Energy: 0.6768030122577295
Energy: 0.7108568980331653
Energy: 0.6618400909090391
Energy: 0.6766957373913081
Energy: 0.7188171449448922
Energy: 0.6766957373913081
Energy: 0.6602323808446705
Energy: 0.6608015469703546
Energy: 0.7108246352119012
Energy: 0.6608015469703546
Energy: 0.6795293723279259
Energy: 0.6981975606008402
Energy: 0.717951338733527
Energy: 0.6981975606008402
Energy: 0.7235033185022258
Energy: 0.7180620764688218
Energy: 0.7173054528990204
Energy: 0.7180620764688218
Energy: 0.6485243244415295
Energy: 0.6760835661750311
Energy: 0.7161579937470107
Energy: 0.6760835661743619
Energy: 0.6496997216777041
Energy: 0.6644828312828056
Energy: 0.698637018734792
Energy: 0.6644828312821365
Energy: 0.6482705170497054
Energy: 0.6492553245367311
Energy: 0.7152423933623663
Energy: 0.6492553245367311
Energy: 0.6571050018930038
Energy: 0.6642364396697245
Energy: 0.7129692644967192
Energy: 0.664236439667717
Energy: 0.6516835121632926
Energy: 0.6760704004266231
Energy: 0.6820271254750544
Energy: 0.6760704004266231
Energy: 0.7153115892074767
Energy: 0.7179011433643907
Energy: 0.7150462113764283
Energy: 0.7179011433643907

minimum gb energy = 0.6455221471491938 eV
minimum distance =  2.627496334709 Angstroms
sigma value = 53


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

Energy: 0.9051125315665018
Energy: 0.6732961092680927
Energy: 0.666123796447242
Energy: 0.6732961092696331
Energy: 0.6688705668159624
Energy: 0.6305062982002095
Energy: 0.6697253392858705
Energy: 0.6305062982002095
Energy: 0.6655498742182943
Energy: 0.6696460185236105
Energy: 0.6883604457566201
Energy: 0.6696460185236105
Energy: 0.6800069597135036
Energy: 0.6303711395938146
Energy: 0.7240662410219344
Energy: 0.6303711395938146
Energy: 0.6784726625206603
Energy: 0.6410090939717666
Energy: 0.5899579475967099
Energy: 0.6410090939717666
Energy: 0.7204508980297566
Energy: 0.6321446605948982
Energy: 0.5881922387307132
Energy: 0.6321446605948982
Energy: 0.732117990162084
Energy: 0.6730034624942983
Energy: 0.6750274639171028
Energy: 0.6730034624942983
Energy: 0.7323639711444958
Energy: 0.6311632461553316
Energy: 0.6727709085255972
Energy: 0.6311632461553316
Energy: 0.6664905342222565
Energy: 0.6697562036003348
Energy: 0.6655408294218741
Energy: 0.6697562036003348
Energy: 0.6774358368476948
Energy: 0.6308901502965752
Energy: 0.6693102129244077
Energy: 0.6308901502965752
Energy: 0.6778187083899698
Energy: 0.6332097733247957
Energy: 0.5883866248291316
Energy: 0.6332097733247957
Energy: 0.721334209821489
Energy: 0.630921417581968
Energy: 0.6009182258959452
Energy: 0.630921417581968
Energy: 0.7321134609070542
Energy: 0.6311227349478409
Energy: 0.6748827644925632
Energy: 0.6311227349478409

minimum gb energy = 0.5881922387307132 eV
minimum distance =  2.64685267419062 Angstroms
sigma value = 9


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

Energy: 0.9223292492943778
Energy: 0.7441448504431084
Energy: 0.7477117622708613
Energy: 0.7441448504431084
Energy: 0.6590247777574831
Energy: 0.6552065800435225
Energy: 0.7478475968283365
Energy: 0.6552065800440926
Energy: 0.6543571174270726
Energy: 0.6570532025270597
Energy: 0.8007543873046807
Energy: 0.6570532025270597
Energy: 0.6510640666161243
Energy: 0.6529570528239119
Energy: 0.85822088473738
Energy: 0.652957052824482
Energy: 0.6560959230665333
Energy: 0.6568817990440039
Energy: 0.8063105997096948
Energy: 0.6568817990440039
Energy: 0.6622480286281582
Energy: 0.6561623635566711
Energy: 0.7702206629330609
Energy: 0.6561623635891173
Energy: 0.7670222142503444
Energy: 0.7441712338827425
Energy: 0.7485960822794948
Energy: 0.7441712338827425
Energy: 0.751770353294746
Energy: 0.6537483764584306
Energy: 0.7479570731214876
Energy: 0.6537483764584306
Energy: 0.6968276053639016
Energy: 0.6889434008214036
Energy: 0.7321519948143248
Energy: 0.6889434008214036
Energy: 0.6821927969581262
Energy: 0.6554962355427782
Energy: 0.7806886317457696
Energy: 0.6554962355427782
Energy: 0.6896917212822814
Energy: 0.6891655191379461
Energy: 0.7420176743999647
Energy: 0.6891655191385162
Energy: 0.6878460420908974
Energy: 0.6918578027163093
Energy: 0.8203851606951027
Energy: 0.6918578027168795
Energy: 0.7583443178460837
Energy: 0.6911902118375169
Energy: 0.6920600041567206
Energy: 0.6911902118375169
Energy: 0.7243207954733035
Energy: 0.6937157898278615
Energy: 0.6923393279423419
Energy: 0.6937157898278615
Energy: 0.7370571567675581
Energy: 0.6922062670744936
Energy: 0.7160954937273815
Energy: 0.6922062670722131
Energy: 0.7445295935737443
Energy: 0.7280079842280013
Energy: 0.716953142775909
Energy: 0.7280079842280013
Energy: 0.7137179026886202
Energy: 0.6509508533460715
Energy: 0.7026331554028658
Energy: 0.6509508533460715
Energy: 0.7110015941908184
Energy: 0.7123439917461747
Energy: 0.8361635663773508
Energy: 0.7123439917461747
Energy: 0.7124535259238798
Energy: 0.6511103431784568
Energy: 0.6772779706011228
Energy: 0.6511103431784568
Energy: 0.8582216583753
Energy: 0.6719621949892645
Energy: 0.6705061172014014
Energy: 0.6719621949892645
Energy: 0.7609978637510822
Energy: 0.6815014287600437
Energy: 0.6723840319103087
Energy: 0.6815014287600437
Energy: 0.7995781046174975
Energy: 0.6728112860645374
Energy: 0.6693359857412581
Energy: 0.6728112860645374
Energy: 0.7770108433361506
Energy: 0.673343638354098
Energy: 0.673220349307717
Energy: 0.673343638354098
Energy: 0.7534562578361512
Energy: 0.7450242935403576
Energy: 0.7527077337718973
Energy: 0.7450242935403576
Energy: 0.7530124643533115
Energy: 0.6728050324306574
Energy: 0.7519358619629942
Energy: 0.6728050324306574
Energy: 0.7304347400112347
Energy: 0.7033941064128283
Energy: 0.6936731179773578
Energy: 0.7033941064128283
Energy: 0.7892944390679311
Energy: 0.6723938036554288
Energy: 0.6841065393344389
Energy: 0.6723938036554288
Energy: 0.7516443032240354
Energy: 0.6828389758900776
Energy: 0.6878176297331077
Energy: 0.6828389758900776
Energy: 0.8268926566531685
Energy: 0.6803112977605674
Energy: 0.6849867649031504
Energy: 0.6803112977605674
Energy: 0.6841513324944957
Energy: 0.682220566470086
Energy: 0.7582841199938466
Energy: 0.682220566470086
Energy: 0.6796510485921712
Energy: 0.6812701232872002
Energy: 0.8096287911000237
Energy: 0.6812701232872002
Energy: 0.695234810073969
Energy: 0.6837712350461997
Energy: 0.7849963992016971
Energy: 0.6837712350461997
Energy: 0.7010335313515003
Energy: 0.7142208288913261
Energy: 0.7430675680701655
Energy: 0.7142208288913261
Energy: 0.6875142004363717
Energy: 0.656232997471124
Energy: 0.7296352169009748
Energy: 0.656232997471124
Energy: 0.8123531284015298
Energy: 0.7432876571491186
Energy: 0.7418647951725527
Energy: 0.7432876571491186

minimum gb energy = 0.6509508533460715 eV
minimum distance =  2.61883966908994 Angstroms
sigma value = 73


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

Energy: 0.8955191680852777
Energy: 0.7206628001067829
Energy: 0.7196939725501116
Energy: 0.7206628001067829
Energy: 0.6612071769974073
Energy: 0.6636091958146321
Energy: 0.7205245457921272
Energy: 0.6636091958146321
Energy: 0.6682800767545083
Energy: 0.6623574354171686
Energy: 0.7724066806046304
Energy: 0.6623574354171686
Energy: 0.6597977709196052
Energy: 0.664167936912092
Energy: 0.8255935085213122
Energy: 0.664167936912092
Energy: 0.6745651555641837
Energy: 0.6647209235419108
Energy: 0.7439992284351075
Energy: 0.6647209235419108
Energy: 0.6700371663191825
Energy: 0.6656636524676842
Energy: 0.7439552420821363
Energy: 0.6656636524676842
Energy: 0.7046330310451907
Energy: 0.7400216981836929
Energy: 0.7429284435121409
Energy: 0.7400216981836929
Energy: 0.7036939241279302
Energy: 0.6799090893424105
Energy: 0.7464561705590419
Energy: 0.6799090893424105
Energy: 0.6811111531576444
Energy: 0.650779698165581
Energy: 0.768165945357464
Energy: 0.650779698170104
Energy: 0.6886577029538891
Energy: 0.7194926552536617
Energy: 0.7786235659423385
Energy: 0.7194926552536617
Energy: 0.6772033042239202
Energy: 0.6749310348996317
Energy: 0.6454503322833605
Energy: 0.6749310348996317
Energy: 0.6712233256270279
Energy: 0.6453709993052238
Energy: 0.8124609820412553
Energy: 0.6453709993052238
Energy: 0.7703242005815046
Energy: 0.6764971755524729
Energy: 0.6912489156400706
Energy: 0.6764971755533774
Energy: 0.752908885024836
Energy: 0.6472464268556496
Energy: 0.6880509231328638
Energy: 0.6472464268556496
Energy: 0.7570525455109642
Energy: 0.6915524795270377
Energy: 0.6864979476389113
Energy: 0.6915524795270377
Energy: 0.7688495064762697
Energy: 0.6809131447467921
Energy: 0.6786005805862494
Energy: 0.6809131447467921
Energy: 0.7710112336182748
Energy: 0.6978553613722264
Energy: 0.6921674387034654
Energy: 0.6978553613722264
Energy: 0.7239824522974538
Energy: 0.721963088789431
Energy: 0.7709420338750853
Energy: 0.7219630887903357
Energy: 0.730879340015081
Energy: 0.6983377787914652
Energy: 0.7039001223316084
Energy: 0.6983377787914652
Energy: 0.7653022072667047
Energy: 0.6999187451867026
Energy: 0.7407654320515425
Energy: 0.6999187451867026
Energy: 0.7492107290503212
Energy: 0.7096251603083754
Energy: 0.6908486824220806
Energy: 0.7096251603074709
Energy: 0.7771341938601726
Energy: 0.6973949418252798
Energy: 0.7205803203602127
Energy: 0.6973949418252798

minimum gb energy = 0.6453709993052238 eV
minimum distance =  2.59924304555018 Angstroms
sigma value = 7


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

Energy: 0.965825659963898
Energy: 0.7255735896438343
Energy: 0.726299928925938
Energy: 0.7255735896438343
Energy: 0.6702024710727476
Energy: 0.6655633901659439
Energy: 0.7292483306529326
Energy: 0.6655633901659439
Energy: 0.6633661060185454
Energy: 0.6790467352760691
Energy: 0.7397099870195909
Energy: 0.6790467352767088
Energy: 0.6579039043328829
Energy: 0.680361664070364
Energy: 0.7911322066948494
Energy: 0.680361664070364
Energy: 0.6621757445350652
Energy: 0.6655694331909825
Energy: 0.7902975521355651
Energy: 0.6655694331909825
Energy: 0.6654169875955555
Energy: 0.6841037860280491
Energy: 0.789756516747576
Energy: 0.6841037860280491
Energy: 0.7475037778443268
Energy: 0.6635213661515502
Energy: 0.665644478462863
Energy: 0.6635213661515502
Energy: 0.7253438361107212
Energy: 0.6806116835656841
Energy: 0.664056764418795
Energy: 0.6806116835656841
Energy: 0.7284425657263508
Energy: 0.665021700668622
Energy: 0.6624069115715157
Energy: 0.665021700668622
Energy: 0.8105236584283967
Energy: 0.6824202763495126
Energy: 0.6646329610427147
Energy: 0.6824202763495126
Energy: 0.732098114916707
Energy: 0.6636394541461786
Energy: 0.6614136759408964
Energy: 0.6636394541461786
Energy: 0.723160964169422
Energy: 0.7226510472145165
Energy: 0.7441984581467997
Energy: 0.7226510472151562
Energy: 0.7281837154915681
Energy: 0.6645300231885097
Energy: 0.737549300043669
Energy: 0.6645300231885097
Energy: 0.7338895703914935
Energy: 0.6946346836877815
Energy: 0.6685264881904126
Energy: 0.6946346836871419
Energy: 0.7370704687399855
Energy: 0.6647269378618785
Energy: 0.6670705566300923
Energy: 0.6647269378612388
Energy: 0.6676123716147476
Energy: 0.725533288363528
Energy: 0.7221983740414707
Energy: 0.725533288363528
Energy: 0.667692622088068
Energy: 0.6642857844871747
Energy: 0.730810082487622
Energy: 0.6642857844865351
Energy: 0.6658374416268729
Energy: 0.6829380010241092
Energy: 0.7385156672925215
Energy: 0.6829380010241092
Energy: 0.6623394693172525
Energy: 0.6644328913172471
Energy: 0.7286419203060064
Energy: 0.6644328913172471
Energy: 0.6639143903823539
Energy: 0.6874242818365556
Energy: 0.6705043559312222
Energy: 0.6874242818371952
Energy: 0.6649461328967878
Energy: 0.6645422206529217
Energy: 0.7918668097407936
Energy: 0.6645422206529217
Energy: 0.7233873906591674
Energy: 0.6831505896958188
Energy: 0.6646825836328824
Energy: 0.6831505896951792
Energy: 0.7231970191291706
Energy: 0.6618556345546339
Energy: 0.6634511424413831
Energy: 0.6618556345546339
Energy: 0.751816986628127
Energy: 0.6680074513911904
Energy: 0.658791915553013
Energy: 0.6680074513911904
Energy: 0.7997008521018826
Energy: 0.6784547967053692
Energy: 0.6615716926736885
Energy: 0.6784547967053692
Energy: 0.7893858748665921
Energy: 0.6651799886928872
Energy: 0.6703945140430067
Energy: 0.6651799886928872
Energy: 0.7265870721201783
Energy: 0.7253063266926661
Energy: 0.8871279452646956
Energy: 0.7253063266926661
Energy: 0.727993000139726
Energy: 0.6713885716442225
Energy: 0.7375953859463505
Energy: 0.6713885716442225
Energy: 0.7372942001268402
Energy: 0.6974443441307461
Energy: 0.7273788950615737
Energy: 0.6974443441307461
Energy: 0.7360059990330867
Energy: 0.7269297503693549
Energy: 0.6684665371826638
Energy: 0.7269297503693549
Energy: 0.6735202831690141
Energy: 0.7276238503664672
Energy: 0.7214538030724493
Energy: 0.7276238503664672

minimum gb energy = 0.6579039043328829 eV
minimum distance =  2.58805535926655 Angstroms
sigma value = 29


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

Energy: 0.6198429119921656
Energy: 0.6296662053979392
Energy: 0.6647150714735149
Energy: 0.6296662053962063
Energy: 0.6290627704320605
Energy: 0.6358724723741976
Energy: 0.6488309740050352
Energy: 0.6358724723739747
Energy: 0.6344770192448114
Energy: 0.6279848219648531
Energy: 0.6212728114543646
Energy: 0.627984821965076
Energy: 0.6247103737922824
Energy: 0.6312886930349736
Energy: 0.6327650542995468
Energy: 0.6312886929996968
Energy: 0.6217443438654939
Energy: 0.6376290399750721
Energy: 0.6163524901674461
Energy: 0.6376290399807412
Energy: 0.6324718329431431
Energy: 0.6282246587326265
Energy: 0.6173244326367088
Energy: 0.6282246587326265
Energy: 0.615476072058748
Energy: 0.6257344797566056
Energy: 0.632900394003829
Energy: 0.6257344772554873
Energy: 0.6492210631426912
Energy: 0.6335497485245762
Energy: 0.6229960819867266
Energy: 0.6335497485297997
Energy: 0.6182447784680374
Energy: 0.6301287763361711
Energy: 0.6292405541394914
Energy: 0.6301287763361711

minimum gb energy = 0.615476072058748 eV
minimum distance =  2.62411623723186 Angstroms
sigma value = 5


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

Energy: 0.8076508058751997
Energy: 0.6419315371186055
Energy: 0.6423560971980977
Energy: 0.6419315371186055
Energy: 0.6950364759865044
Energy: 0.6391594441323001
Energy: 0.7164495682121443
Energy: 0.6391594441323001
Energy: 0.7168757729191001
Energy: 0.6862749111663052
Energy: 0.7284857816416015
Energy: 0.6862749111663052
Energy: 0.6552718301926802
Energy: 0.6868377581344425
Energy: 0.6855761638500593
Energy: 0.6868377581350467
Energy: 0.6753199034763943
Energy: 0.6488277605845836
Energy: 0.7132555733206347
Energy: 0.6488277605839795
Energy: 0.6506601814774701
Energy: 0.640512276591254
Energy: 0.7124184165933464
Energy: 0.640512276591254
Energy: 0.6381762704793775
Energy: 0.6390827901793761
Energy: 0.6842052110301713
Energy: 0.6390827901793761
Energy: 0.6416301508308901
Energy: 0.6387125642597111
Energy: 0.8014585710608576
Energy: 0.6387125642597111
Energy: 0.6440302087956047
Energy: 0.6544532466485193
Energy: 0.7736693989340065
Energy: 0.6544532466485193
Energy: 0.7304181452445473
Energy: 0.6259177069091042
Energy: 0.6234293567431348
Energy: 0.6259177069091042
Energy: 0.6448711009936611
Energy: 0.6188835999196078
Energy: 0.6188147585748941
Energy: 0.6188835999196078
Energy: 0.6181718727346683
Energy: 0.6210781543689312
Energy: 0.6182135783184939
Energy: 0.6210781543689312
Energy: 0.6164775671029137
Energy: 0.6192435993628977
Energy: 0.6232606840860863
Energy: 0.6192435993628977
Energy: 0.6380288620530391
Energy: 0.6396677986462861
Energy: 0.7245306724825417
Energy: 0.6396677986468904
Energy: 0.6366255789855477
Energy: 0.6406415064006517
Energy: 0.7156090682893387
Energy: 0.6406415064006517
Energy: 0.6381472138736439
Energy: 0.6382722998791311
Energy: 0.6955553777182328
Energy: 0.6382722998797353
Energy: 0.6386678493767108
Energy: 0.6562657829361364
Energy: 0.6545618643590201
Energy: 0.6562657829361364
Energy: 0.7153168323506054
Energy: 0.6392105801318418
Energy: 0.6258067441057567
Energy: 0.6392105801318418
Energy: 0.7299991420406822
Energy: 0.6873784639674471
Energy: 0.7162733294919005
Energy: 0.6873784639674471
Energy: 0.657660875695882
Energy: 0.6917982932731093
Energy: 0.655012318789115
Energy: 0.6917982932725051
Energy: 0.7119940747032903
Energy: 0.6404293743112752
Energy: 0.6813758947505213
Energy: 0.6404293743112752
Energy: 0.712521620910666
Energy: 0.6501178281162829
Energy: 0.6527384098810171
Energy: 0.6501178281162829
Energy: 0.6740732517055469
Energy: 0.6384948330552869
Energy: 0.6373567978615565
Energy: 0.6384948330552869
Energy: 0.7823377762653175
Energy: 0.6382246032436928
Energy: 0.6398227131567774
Energy: 0.6382246032436928
Energy: 0.7770711885790714
Energy: 0.6537864557866265
Energy: 0.6955232255923319
Energy: 0.6537864557866265
Energy: 0.6235210456021023
Energy: 0.6314609308049033
Energy: 0.7306002286102243
Energy: 0.6314609308049033
Energy: 0.6215650049389416
Energy: 0.6195445065695792
Energy: 0.6460310679113197
Energy: 0.6195445065695792
Energy: 0.6264445578450586
Energy: 0.6204101702301104
Energy: 0.6616195598563755
Energy: 0.6204101702301104
Energy: 0.6229763304220327
Energy: 0.6672239103865345
Energy: 0.6229527592256588
Energy: 0.6672239103895555
Energy: 0.7172097611422477
Energy: 0.6548302349956863
Energy: 0.6428835850148106
Energy: 0.6548302349956863
Energy: 0.7164722652291279
Energy: 0.6391114922134377
Energy: 0.6378572402115302
Energy: 0.6391114922134377
Energy: 0.7371179814774562
Energy: 0.6383018592976955
Energy: 0.6388565991308512
Energy: 0.6383018592976955
Energy: 0.654744121020922
Energy: 0.6460502121006614
Energy: 0.6410041264327462
Energy: 0.6460502121006614

minimum gb energy = 0.6164775671029137 eV
minimum distance =  2.61237560573751 Angstroms
sigma value = 1


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

Energy: 0.891016667939502
Energy: 0.6233103421525398
Energy: 0.6920743637552673
Energy: 0.6233103421341984
Energy: 0.6249891106993043
Energy: 0.6202267231874155
Energy: 0.6462885044522405
Energy: 0.6202267231874155
Energy: 0.6509167858699721
Energy: 0.6811158806206066
Energy: 0.6321472783193819
Energy: 0.6811158806206066
Energy: 0.6802753125959448
Energy: 0.7019116787847779
Energy: 0.6448904779708792
Energy: 0.7019116787847779
Energy: 0.6508263400739488
Energy: 0.6296161958336224
Energy: 0.6875874649854591
Energy: 0.6296161958336224
Energy: 0.6349381333658829
Energy: 0.6286920139992954
Energy: 0.6867401070020839
Energy: 0.6286920139992954
Energy: 0.6235683570248043
Energy: 0.6250344554339008
Energy: 0.6446317753368266
Energy: 0.6250344554339008
Energy: 0.6259251626138443
Energy: 0.6265098596592045
Energy: 0.6778693204039192
Energy: 0.6265098596592045
Energy: 0.6314749259160285
Energy: 0.6518817795395027
Energy: 0.6733027832458255
Energy: 0.6518817795395027
Energy: 0.7867660501037932
Energy: 0.5889917607558809
Energy: 0.6499235411791222
Energy: 0.5889917607558809
Energy: 0.6306577863626246
Energy: 0.5922158761100569
Energy: 0.6502450526318313
Energy: 0.5922158761100569
Energy: 0.5860247396089086
Energy: 0.5910622364967961
Energy: 0.6395373722886057
Energy: 0.5910622364967961
Energy: 0.5867365235474287
Energy: 0.5883863699632326
Energy: 0.65021515630348
Energy: 0.5883863699632326
Energy: 0.6308309813088725
Energy: 0.6522416401852482
Energy: 0.6432445576175095
Energy: 0.6522416401852482
Energy: 0.680144227480302
Energy: 0.6533179548670321
Energy: 0.6521552728930756
Energy: 0.6533179548670321
Energy: 0.6803678489741767
Energy: 0.6271859781271117
Energy: 0.6197872528037381
Energy: 0.6271859781271117
Energy: 0.6506732137859077
Energy: 0.6414519644347736
Energy: 0.6847893874476131
Energy: 0.6414519644347736
Energy: 0.632754901637155
Energy: 0.6264542921179613
Energy: 0.6864699056671961
Energy: 0.6264542921179613
Energy: 0.6269844472044718
Energy: 0.6260414371442352
Energy: 0.6732912852848854
Energy: 0.6260414371442352
Energy: 0.6273974487004924
Energy: 0.6786434254090852
Energy: 0.6777647665129922
Energy: 0.6786434254090852
Energy: 0.6723024201798932
Energy: 0.6226707524120959
Energy: 0.6250022727007514
Energy: 0.6226707524129313
Energy: 0.6726911994590298
Energy: 0.6206333010459715
Energy: 0.6211953821556219
Energy: 0.6206333010459715
Energy: 0.6325612989687278
Energy: 0.6193600138114866
Energy: 0.6182327812749848
Energy: 0.6193600138114866
Energy: 0.6875491440872872
Energy: 0.625710550591499
Energy: 0.6244163398676348
Energy: 0.625710550591499

minimum gb energy = 0.5860247396089086 eV
minimum distance =  2.58737587067931 Angstroms
sigma value = 17


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

Energy: 0.885170638642887
Energy: 0.6152769150028038
Energy: 0.7040827354905949
Energy: 0.6152769176752669
Energy: 0.6204267725889858
Energy: 0.6113356767648107
Energy: 0.6855345847770842
Energy: 0.6113356767648107
Energy: 0.7410041751932447
Energy: 0.6885104413508154
Energy: 0.6842502515811115
Energy: 0.6885104413513318
Energy: 0.7446167615430282
Energy: 0.6930493766697002
Energy: 0.6954254731897754
Energy: 0.6930493766697002
Energy: 0.6814640537956538
Energy: 0.5994597227391089
Energy: 0.6822438204441427
Energy: 0.5994597227391089
Energy: 0.6047065461860288
Energy: 0.5995886596715428
Energy: 0.6864749108436254
Energy: 0.5995886596715428
Energy: 0.5967978565067791
Energy: 0.5965486508522679
Energy: 0.6435717891475422
Energy: 0.5965486508522679
Energy: 0.6012311064832917
Energy: 0.5970122438532298
Energy: 0.6042179897524439
Energy: 0.5970122438429026
Energy: 0.6869968625800954
Energy: 0.5987488347508385
Energy: 0.7405510913629725
Energy: 0.5987488347508385
Energy: 0.6839469874609461
Energy: 0.6871824108571452
Energy: 0.6866825912833655
Energy: 0.6871824108571452
Energy: 0.6833439813189595
Energy: 0.689359907298372
Energy: 0.620573446308191
Energy: 0.689359907298372
Energy: 0.6821756081969833
Energy: 0.6133033330684151
Energy: 0.6924550486142886
Energy: 0.6133033330684151
Energy: 0.682561670835082
Energy: 0.6179206831710896
Energy: 0.625965275628302
Energy: 0.6179206831710896
Energy: 0.6300315754207387
Energy: 0.6097750554802531
Energy: 0.6104002503842347
Energy: 0.6097750554802531
Energy: 0.7417412101563541
Energy: 0.6105398109148917
Energy: 0.6140688814494834
Energy: 0.6105398109148917
Energy: 0.6192402647318925
Energy: 0.6126467324857828
Energy: 0.6108130838045086
Energy: 0.6126467324852665
Energy: 0.6287730884341491
Energy: 0.6132392212333836
Energy: 0.6938834163655111
Energy: 0.6132392212328672
Energy: 0.6130780996251859
Energy: 0.610905625151679
Energy: 0.6877706286859833
Energy: 0.610905625151679
Energy: 0.6159845302950909
Energy: 0.6110171566410284
Energy: 0.6982206464377723
Energy: 0.6110171566410284
Energy: 0.6267711896871982
Energy: 0.6834736099061597
Energy: 0.6076025520681286
Energy: 0.6834736099066762
Energy: 0.6857295827699131
Energy: 0.6114483821066555
Energy: 0.6235583253558146
Energy: 0.6114483821066555
Energy: 0.6844489049524838
Energy: 0.6883910621803506
Energy: 0.7422861207211119
Energy: 0.6883910621803506
Energy: 0.6438705746309425
Energy: 0.6391501764784887
Energy: 0.7431478297079118
Energy: 0.6391501764779723
Energy: 0.6828096375149395
Energy: 0.5970270929548671
Energy: 0.6819264657735523
Energy: 0.5970270929543507
Energy: 0.6832774469434937
Energy: 0.5980864488146467
Energy: 0.601901682616319
Energy: 0.5980864488146467
Energy: 0.6932438162573561
Energy: 0.5974326201063013
Energy: 0.5988310874759325
Energy: 0.5974326201063013
Energy: 0.6177879409673344
Energy: 0.5982146519521554
Energy: 0.602674187060768
Energy: 0.5982146519526718
Energy: 0.6980442949290382
Energy: 0.5980641995573583
Energy: 0.6891472851203349
Energy: 0.5980641995578747
Energy: 0.6849540671770156
Energy: 0.6870308349717831
Energy: 0.6831235063663925
Energy: 0.6870308349717831
Energy: 0.6212167056176027
Energy: 0.6898353279568836
Energy: 0.6817772495905838
Energy: 0.6898353279568836
Energy: 0.6934542225869179
Energy: 0.613143500430894
Energy: 0.6822818705550239
Energy: 0.6131435004314104
Energy: 0.622593088492559
Energy: 0.619138471038216
Energy: 0.6837791445656121
Energy: 0.619138471038216
Energy: 0.6094738272235843
Energy: 0.609500651509895
Energy: 0.6105024048767113
Energy: 0.609500651509895
Energy: 0.6168912309453244
Energy: 0.6115985866178779
Energy: 0.7430901287162466
Energy: 0.6115985866189106
Energy: 0.6120168645849368
Energy: 0.6273174300621885
Energy: 0.6129704925520121
Energy: 0.6273174300616722
Energy: 0.8170090640207538
Energy: 0.613235413780136
Energy: 0.6197503902023879
Energy: 0.613235413780136
Energy: 0.6860975766588202
Energy: 0.610166421765517
Energy: 0.6104949488463884
Energy: 0.6101664217660334
Energy: 0.7415944794203947
Energy: 0.6119821557186784
Energy: 0.6256852217862249
Energy: 0.6119821557186784

minimum gb energy = 0.5965486508522679 eV
minimum distance =  2.58737017582823 Angstroms
sigma value = 89


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

Energy: 0.9037961020842461
Energy: 0.5614103205370894
Energy: 0.5631147295477322
Energy: 0.5614103205370894
Energy: 0.5728416384894373
Energy: 0.6094245764903318
Energy: 0.5707684990686409
Energy: 0.6094245764903318
Energy: 0.5542895110346662
Energy: 0.6093927510709187
Energy: 0.5730221753613262
Energy: 0.6093927510709187
Energy: 0.5551463473624147
Energy: 0.6103596280425193
Energy: 0.5604614900991958
Energy: 0.6103596280425193
Energy: 0.5731782612227111
Energy: 0.5638811755648558
Energy: 0.587908321583123
Energy: 0.5638811755648558
Energy: 0.5612945531166863
Energy: 0.5627902546026876
Energy: 0.5880003431371073
Energy: 0.5627902546026876
Energy: 0.5586108453575083
Energy: 0.5581469495626101
Energy: 0.560740408948807
Energy: 0.5581469495626101
Energy: 0.5615887637662358
Energy: 0.5613000982834052
Energy: 0.5541119813591016
Energy: 0.5613000982834052
Energy: 0.5603563678742558
Energy: 0.5604772076513594
Energy: 0.5563387308037229
Energy: 0.5604772076513594
Energy: 0.5753322279037685
Energy: 0.6105692513867903
Energy: 0.5726552854507069
Energy: 0.6105692513867903
Energy: 0.560618088192905
Energy: 0.6114355122993029
Energy: 0.5529761680489043
Energy: 0.6114355122993029
Energy: 0.587918269425267
Energy: 0.5617801895141371
Energy: 0.571714937991079
Energy: 0.5617801895141371
Energy: 0.5653702085765812
Energy: 0.5597099444136503
Energy: 0.5614638866724818
Energy: 0.5597099444136503
Energy: 0.5604922186482362
Energy: 0.5580637654961242
Energy: 0.5578554787918859
Energy: 0.5580637654961242
Energy: 0.5631179104121735
Energy: 0.5596490551715562
Energy: 0.5620650578875024
Energy: 0.5596490551715562

minimum gb energy = 0.5529761680489043 eV
minimum distance =  2.61325896018173 Angstroms
sigma value = 13


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

Energy: 0.8110330657241431
Energy: 0.5425979667525379
Energy: 0.654278284279533
Energy: 0.5425979667344172
Energy: 0.6140639922299415
Energy: 0.5396601320425286
Energy: 0.6085084868688707
Energy: 0.5396601320425286
Energy: 0.5521321343817606
Energy: 0.5384778970524503
Energy: 0.6069098454177075
Energy: 0.5384778970524503
Energy: 0.6650549921769842
Energy: 0.5467327826329921
Energy: 0.6151071327461344
Energy: 0.5467327826329921
Energy: 0.6146786698786472
Energy: 0.5404692201070475
Energy: 0.6166785613418391
Energy: 0.5404692201076138
Energy: 0.6078686235104176
Energy: 0.5395478171340836
Energy: 0.6146706540229624
Energy: 0.5395478171340836
Energy: 0.6052879635393266
Energy: 0.5381788690381878
Energy: 0.6086905223147292
Energy: 0.538178869038754
Energy: 0.5436019955625899
Energy: 0.5401189324033915
Energy: 0.6160349057373453
Energy: 0.5401189323875357
Energy: 0.5433732924394965
Energy: 0.5403203480146676
Energy: 0.6160012723738226
Energy: 0.5403203480146676
Energy: 0.541291458708717
Energy: 0.5390413084895145
Energy: 0.6195929015461669
Energy: 0.5390413084895145
Energy: 0.5392380751087927
Energy: 0.5428388016650255
Energy: 0.8121058376602521
Energy: 0.5428388016650255
Energy: 0.6156869015944166
Energy: 0.5378786546454971
Energy: 0.6194666102222954
Energy: 0.5378786546454971
Energy: 0.6172355068991149
Energy: 0.5667988374703515
Energy: 0.6146308785474219
Energy: 0.5667988374703515
Energy: 0.6145442538361415
Energy: 0.5681999089092327
Energy: 0.6662057876834585
Energy: 0.5681999089092327
Energy: 0.6118968394304882
Energy: 0.5401683836961793
Energy: 0.613872395884033
Energy: 0.5401683836961793
Energy: 0.6115563088122606
Energy: 0.5386169289819731
Energy: 0.5411222331032526
Energy: 0.5386169289819731
Energy: 0.6137968514896892
Energy: 0.5392971445995615
Energy: 0.5402578531042241
Energy: 0.5392971445995615
Energy: 0.8050456460185268
Energy: 0.5403540115854919
Energy: 0.5439089660643505
Energy: 0.5403540116058779
Energy: 0.6704978336683842
Energy: 0.5406276279024192
Energy: 0.6168267947248912
Energy: 0.5406276279024192
Energy: 0.6187545950229546
Energy: 0.5380846313589345
Energy: 0.6045725297924657
Energy: 0.5380846313589345
Energy: 0.665302988361854
Energy: 0.5411610144567242
Energy: 0.6107522966574178
Energy: 0.5411610144567242
Energy: 0.6180633816089527
Energy: 0.575462565084963
Energy: 0.614499465060203
Energy: 0.575462565084963
Energy: 0.6119102409058526
Energy: 0.5410583672132826
Energy: 0.6172412805641913
Energy: 0.5410583672132826
Energy: 0.5422972010386877
Energy: 0.538403025110658
Energy: 0.6156812766595672
Energy: 0.538403025110658
Energy: 0.6112588882351185
Energy: 0.5385333647655514
Energy: 0.6158911596269598
Energy: 0.5385333647649849
Energy: 0.5482961918309127
Energy: 0.5415821959953809
Energy: 0.6148377890626352
Energy: 0.5415821959953809
Energy: 0.5381922980412426
Energy: 0.5382849488506752
Energy: 0.6148941359751509
Energy: 0.5382849488506752
Energy: 0.5495630251035154
Energy: 0.5419194948526465
Energy: 0.5515212613233673
Energy: 0.5419194948520801
Energy: 0.614806495445247
Energy: 0.5397627147242287
Energy: 0.6712570113644736
Energy: 0.5397627147242287
Energy: 0.6036800802992535
Energy: 0.5689365560959511
Energy: 0.6135702116065999
Energy: 0.5689365560959511
Energy: 0.6136923051484067
Energy: 0.5715278171213161
Energy: 0.6659289051595991
Energy: 0.5715278171213161
Energy: 0.6110537672879316
Energy: 0.5411282630016738
Energy: 0.6135503897223723
Energy: 0.5411282630016738
Energy: 0.6118402257796669
Energy: 0.5399789311778451
Energy: 0.5459728110721387
Energy: 0.5399789311778451
Energy: 0.7382587615588635
Energy: 0.5381679319166583
Energy: 0.5383989386308479
Energy: 0.5381679319166583
Energy: 0.6691627088614811
Energy: 0.5386492654428746
Energy: 0.540321151418379
Energy: 0.5386492654428746

minimum gb energy = 0.5378786546454971 eV
minimum distance =  2.60841630974456 Angstroms
sigma value = 37


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

Energy: 0.779959126444738
Energy: 0.5083401870471188
Energy: 0.5085218797933978
Energy: 0.5083401870373764
Energy: 0.6168006711265076
Energy: 0.5079597606895042
Energy: 0.6216301247600624
Energy: 0.5079597606895042
Energy: 0.6647607915239618
Energy: 0.5617386861282344
Energy: 0.6178568579689615
Energy: 0.5617386861282344
Energy: 0.6648047712344102
Energy: 0.5525615315980783
Energy: 0.6184237555772664
Energy: 0.5525615315980783
Energy: 0.6173389184419903
Energy: 0.4981363841972865
Energy: 0.6541403392255085
Energy: 0.4981363841972865
Energy: 0.5463519101918065
Energy: 0.4951644838696089
Energy: 0.6142206469950607
Energy: 0.49516448386863454
Energy: 0.549386245588642
Energy: 0.497742418563186
Energy: 0.712526495657468
Energy: 0.497742418563186
Energy: 0.5616701092538533
Energy: 0.4916740902192615
Energy: 0.5640369036839079
Energy: 0.4916740902192615
Energy: 0.5512819025993267
Energy: 0.4945164862510648
Energy: 0.5557550628818227
Energy: 0.4945164862510648
Energy: 0.5475442688064424
Energy: 0.4913088333882152
Energy: 0.49762177464589347
Energy: 0.49130883338724096
Energy: 0.5845887978614733
Energy: 0.5842669581008838
Energy: 0.7080748581229943
Energy: 0.5842669581008838
Energy: 0.6558205544205366
Energy: 0.4909849429284651
Energy: 0.49667262811350077
Energy: 0.4909849429284651
Energy: 0.6555578850045454
Energy: 0.5452524616332879
Energy: 0.6647187289168437
Energy: 0.5452524616332879
Energy: 0.662253493702422
Energy: 0.4919070609195528
Energy: 0.5503176134418238
Energy: 0.4919070609195528
Energy: 0.6541403392255085
Energy: 0.5540113929248729
Energy: 0.6073465135222647
Energy: 0.5540113929248729
Energy: 0.5504167340854611
Energy: 0.5462751408192635
Energy: 0.5515879568089936
Energy: 0.5462751408192635
Energy: 0.7178613806147521
Energy: 0.6109597837284373
Energy: 0.5490796661275958
Energy: 0.6109597837284373
Energy: 0.5640369036829337
Energy: 0.5540362317722383
Energy: 0.5147013980966922
Energy: 0.5540362317722383
Energy: 0.5557550630532032
Energy: 0.5099615184555082
Energy: 0.5074113143917661
Energy: 0.5099615184555082
Energy: 0.5762624551505015
Energy: 0.5085399498999205
Energy: 0.5132461764003302
Energy: 0.5085399498999205

minimum gb energy = 0.4909849429284651 eV
minimum distance =  2.60205663434568 Angstroms
sigma value = 25


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

Energy: 0.8642433952545083
Energy: 0.4561651731823813
Energy: 0.45546109316449884
Energy: 0.45616517305540255
Energy: 0.6277621728713155
Energy: 0.45200164417376226
Energy: 0.5396617849926336
Energy: 0.45200164417376226
Energy: 0.6546844409946752
Energy: 0.45178144377218193
Energy: 0.5361061822809867
Energy: 0.45178144377218193
Energy: 0.6539051942997481
Energy: 0.49127769992540665
Energy: 0.5416872257053282
Energy: 0.49127769992540665
Energy: 0.6277459557697799
Energy: 0.5313215229204395
Energy: 0.6459840763005306
Energy: 0.5313215229204395
Energy: 0.6553218734145186
Energy: 0.4951580361109274
Energy: 0.6464392621973474
Energy: 0.4951580361109274
Energy: 0.6552186275843104
Energy: 0.49757060947709825
Energy: 0.6088129528426311
Energy: 0.49757060947709825
Energy: 0.5372794109958962
Energy: 0.4436701448463475
Energy: 0.6662935837994884
Energy: 0.4436701448463475
Energy: 0.5390462496967445
Energy: 0.4476683230456681
Energy: 0.6199224597009845
Energy: 0.4476683230456681
Energy: 0.5411747782218993
Energy: 0.4448555118837703
Energy: 0.6095457470628942
Energy: 0.4448555118837703
Energy: 0.48556466494188877
Energy: 0.44709706897278184
Energy: 0.7551133700486234
Energy: 0.44709706897278184
Energy: 0.4912523792194598
Energy: 0.44481665145093224
Energy: 0.6090426825347577
Energy: 0.44481665145093224
Energy: 0.48988364404049844
Energy: 0.4451234757513089
Energy: 0.6223855759937559
Energy: 0.4451234757513089
Energy: 0.5005518615339348
Energy: 0.448316545392293
Energy: 0.606124287218884
Energy: 0.448316545392293
Energy: 0.5683725745064139
Energy: 0.4435653894758422
Energy: 0.6076248452496489
Energy: 0.4435653894750814
Energy: 0.570340364498638
Energy: 0.443933695465112
Energy: 0.5758914762718668
Energy: 0.443933695465112
Energy: 0.6319433501026422
Energy: 0.44454948000502154
Energy: 0.5889940575605376
Energy: 0.44454948000502154
Energy: 0.5649577676993379
Energy: 0.49391829509790913
Energy: 0.6094452913963019
Energy: 0.49391829509790913
Energy: 0.6299746993286158
Energy: 0.4875573842963839
Energy: 0.6551938440402146
Energy: 0.4875573842963839
Energy: 0.6288981823162098
Energy: 0.493941659696026
Energy: 0.6558415591653446
Energy: 0.493941659696026
Energy: 0.7566155598714429
Energy: 0.45381908025085094
Energy: 0.5378192147623602
Energy: 0.45381908025085094
Energy: 0.6299844474399473
Energy: 0.45114473813304573
Energy: 0.48581722134686184
Energy: 0.45114473813304573
Energy: 0.666319738057836
Energy: 0.45346290747475654
Energy: 0.542831137009009
Energy: 0.45346290747475654
Energy: 0.6640106558492289
Energy: 0.45738700835412593
Energy: 0.4542480903722674
Energy: 0.45738700835412593
Energy: 0.6310212346129449
Energy: 0.45159996992171564
Energy: 0.4523902797807209
Energy: 0.45159996992171564
Energy: 0.6520986784388976
Energy: 0.4519469639166927
Energy: 0.4514948269351145
Energy: 0.4519469639174534

minimum gb energy = 0.4435653894750814 eV
minimum distance =  2.6089755353946 Angstroms
sigma value = 41


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

Energy: 0.8672091606715739
Energy: 0.41498221780476746
Energy: 0.5597332108932296
Energy: 0.41498221785029776
Energy: 0.6914236555687341
Energy: 0.4084273697466555
Energy: 0.4790215579412269
Energy: 0.4084273697466555
Energy: 0.6811244258146826
Energy: 0.4072401792616051
Energy: 0.4764149667661629
Energy: 0.4072401792622288
Energy: 0.6884143335040267
Energy: 0.4094831922448569
Energy: 0.5627101850295338
Energy: 0.4094831922448569
Energy: 0.6911608009781508
Energy: 0.4064628975361848
Energy: 0.6127271895338834
Energy: 0.4064628975361848
Energy: 0.6811375200436954
Energy: 0.5157341532497339
Energy: 0.6157092663578294
Energy: 0.5157341532497339
Energy: 0.6847524158989893
Energy: 0.4457794127000147
Energy: 0.6911894633610255
Energy: 0.4457794127000147
Energy: 0.6259000215222298
Energy: 0.4457259307931021
Energy: 0.6125035909436055
Energy: 0.44572593079497325
Energy: 0.5412857581057803
Energy: 0.5143345506298419
Energy: 0.6936914488843231
Energy: 0.5143345506298419
Energy: 0.540822859588851
Energy: 0.406638504779653
Energy: 0.6892664092587337
Energy: 0.4066385047790293
Energy: 0.4869321726938993
Energy: 0.41127437124778865
Energy: 0.7798230977854794
Energy: 0.41127437124778865
Energy: 0.47218656943872933
Energy: 0.40678546420476736
Energy: 0.68887235405072
Energy: 0.40678546420476736
Energy: 0.48077980088361977
Energy: 0.41002603924909337
Energy: 0.6867870555119236
Energy: 0.41002603924909337
Energy: 0.4147083125706507
Energy: 0.41044276897856125
Energy: 0.6892848359945453
Energy: 0.41044276897856125
Energy: 0.4072918119194028
Energy: 0.4072765567505142
Energy: 0.6908880109278799
Energy: 0.4072765567505142
Energy: 0.4133768647319749
Energy: 0.4088429380022381
Energy: 0.6785030860280031
Energy: 0.4088429380022381
Energy: 0.48279060980394006
Energy: 0.4108416498571919
Energy: 0.6780071476986824
Energy: 0.4108416498571919
Energy: 0.4719171649808968
Energy: 0.47135616675347297
Energy: 0.6881969008930371
Energy: 0.47135616675347297
Energy: 0.4773741765735175
Energy: 0.4098388679255415
Energy: 0.6818859513386484
Energy: 0.4098388679255415
Energy: 0.6183708756839608
Energy: 0.4079542720195513
Energy: 0.6798378608744968
Energy: 0.4079542720195513
Energy: 0.6151796852131369
Energy: 0.4437284329482066
Energy: 0.6897352041206173
Energy: 0.4437284329930848
Energy: 0.6192528519704774
Energy: 0.41085129998708025
Energy: 0.6848381144585678
Energy: 0.4108512999864566
Energy: 0.693665472885637
Energy: 0.4428635156213052
Energy: 0.6808563650227746
Energy: 0.44286351562192894
Energy: 0.6127657874328059
Energy: 0.4075017994498674
Energy: 0.6203473008784964
Energy: 0.4075017994498674
Energy: 0.6902881471348983
Energy: 0.4436061564406858
Energy: 0.5355339743911504
Energy: 0.4436061564406858
Energy: 0.6920256502882233
Energy: 0.40782740739681633
Energy: 0.616335779540371
Energy: 0.4078274073980637
Energy: 0.6916363049948399
Energy: 0.41018684212827866
Energy: 0.4782502551697238
Energy: 0.41018684213014983
Energy: 0.6872707571711218
Energy: 0.4088538278510361
Energy: 0.4706818549829139
Energy: 0.4088538278510361
Energy: 0.6894340490436879
Energy: 0.4092020361678362
Energy: 0.48344804162490207
Energy: 0.4092020361678362
Energy: 0.6893422212102419
Energy: 0.411026377048812
Energy: 0.40872267309405524
Energy: 0.411026377048812
Energy: 0.6892687283313508
Energy: 0.4072824150452582
Energy: 0.40731593417156287
Energy: 0.4072824150452582
Energy: 0.6918399729743603
Energy: 0.40881896924014205
Energy: 0.41302917762391866
Energy: 0.40881896924014205

minimum gb energy = 0.4064628975361848 eV
minimum distance =  2.62347862224428 Angstroms
sigma value = 15


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

Energy: 0.7541118214414427
Energy: 0.3859093179931714
Energy: 0.5393889081572517
Energy: 0.38590931800743733
Energy: 0.7216221964815068
Energy: 0.37868285815644487
Energy: 0.4390871519423493
Energy: 0.37868285815644487
Energy: 0.7307982433395698
Energy: 0.3787570565514604
Energy: 0.4377272855083508
Energy: 0.3787570565519888
Energy: 0.7247087950377651
Energy: 0.38137226002783425
Energy: 0.5654977448174857
Energy: 0.38137226002730584
Energy: 0.7206323313093441
Energy: 0.3778923161492779
Energy: 0.5514101134900616
Energy: 0.37789231572625015
Energy: 0.716953079963064
Energy: 0.37734008344039077
Energy: 0.5552876138378481
Energy: 0.3773400827791668
Energy: 0.6111606125673485
Energy: 0.3789216757035557
Energy: 0.6677971487330009
Energy: 0.37892167570461244
Energy: 0.6749750773625585
Energy: 0.4111921448858639
Energy: 0.5486319652782344
Energy: 0.41119214488850575
Energy: 0.612509277706055
Energy: 0.40829929336524606
Energy: 0.6670557933283225
Energy: 0.4082992933615475
Energy: 0.6127131462667359
Energy: 0.4827728101426604
Energy: 0.7217534213285784
Energy: 0.4827728101426604
Energy: 0.56614522028022
Energy: 0.37914446844354643
Energy: 0.6844221834502371
Energy: 0.37914446844301813
Energy: 0.48625445284997193
Energy: 0.37676792818208776
Energy: 0.7211705522584716
Energy: 0.37676792818050264
Energy: 0.552913200492268
Energy: 0.37789511368534257
Energy: 0.7223103803453388
Energy: 0.37789511368534257
Energy: 0.44465879316481616
Energy: 0.38053414216379605
Energy: 0.6675481125505591
Energy: 0.3805341421632677
Energy: 0.4307389520215441
Energy: 0.37727208909596965
Energy: 0.7213271640434719
Energy: 0.37727208909596965
Energy: 0.4413961412786826
Energy: 0.38127407131077456
Energy: 0.7237928916739595
Energy: 0.38127407131077456
Energy: 0.38264801090704864
Energy: 0.3781000811852849
Energy: 0.7233498677522043
Energy: 0.3781000811852849
Energy: 0.3785128022904081
Energy: 0.37754825839648215
Energy: 0.7216002930478044
Energy: 0.37754825839648215
Energy: 0.3820190393146964
Energy: 0.38050479005568494
Energy: 0.7175605556449934
Energy: 0.38050479005568494
Energy: 0.44094437950135584
Energy: 0.37980459105693004
Energy: 0.7162796516937588
Energy: 0.37980459105693004
Energy: 0.4309565136733025
Energy: 0.3791455092853548
Energy: 0.721431745669289
Energy: 0.3791455092848265
Energy: 0.4436878528458679
Energy: 0.3806904646245086
Energy: 0.722324045306155
Energy: 0.38069046462926387
Energy: 0.557567023956539
Energy: 0.3782659272725652
Energy: 0.714311802445818
Energy: 0.3782659272725652
Energy: 0.5495724669965848
Energy: 0.3767755337443424
Energy: 0.7212665450775101
Energy: 0.3767755337242646
Energy: 0.5645147176813861
Energy: 0.37994303162464116
Energy: 0.613198756124659
Energy: 0.3799430316278113
Energy: 0.6661644478569212
Energy: 0.48318407843305133
Energy: 0.7233225339258151
Energy: 0.48318407843305133
Energy: 0.550384889420703
Energy: 0.408430420434415
Energy: 0.6658392304238019
Energy: 0.408430420434415
Energy: 0.6739025146724429
Energy: 0.41084703079539064
Energy: 0.6137439922221374
Energy: 0.41084703079539064
Energy: 0.666863379058811
Energy: 0.37788586681044095
Energy: 0.6667145863211461
Energy: 0.3778858668109693
Energy: 0.6651288196266545
Energy: 0.37734900987577336
Energy: 0.5529062537988003
Energy: 0.3773490098747166
Energy: 0.7203155334855175
Energy: 0.4316162404946317
Energy: 0.4864632187224897
Energy: 0.4316162404941033
Energy: 0.6676551717112242
Energy: 0.3798861306324559
Energy: 0.563272658872007
Energy: 0.37988613063298415
Energy: 0.7229415284195718
Energy: 0.37852182093141906
Energy: 0.435711236709791
Energy: 0.37852182093247577
Energy: 0.721809205831785
Energy: 0.37811575764122346
Energy: 0.4344129438769348
Energy: 0.37811575764122346
Energy: 0.7216580417737124
Energy: 0.3812450608714292
Energy: 0.39156037091678453
Energy: 0.38124506087090076
Energy: 0.7215287325729183
Energy: 0.3797262429462704
Energy: 0.3813127114372298
Energy: 0.3797262429462704
Energy: 0.7269712794148485
Energy: 0.3803566538638292
Energy: 0.3795208406296683
Energy: 0.3803566538633009

minimum gb energy = 0.37676792818050264 eV
minimum distance =  2.62666536892631 Angstroms
sigma value = 85


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

Energy: 0.82203153696289
Energy: 0.34480852924403477
Energy: 0.34473713069018236
Energy: 0.34480852920327126
Energy: 0.735987855157732
Energy: 0.34232353621414674
Energy: 0.3934760825625233
Energy: 0.34232353621414674
Energy: 0.7313953863674391
Energy: 0.3420964133595191
Energy: 0.39320714670196183
Energy: 0.3420964133595191
Energy: 0.6610286418757079
Energy: 0.34453174853303653
Energy: 0.4987740971360821
Energy: 0.34453174853303653
Energy: 0.7338934906816424
Energy: 0.3640650446368612
Energy: 0.4934107810064777
Energy: 0.36406504463640293
Energy: 0.6637330528840305
Energy: 0.34151148507438606
Energy: 0.49915154768771247
Energy: 0.34151148507438606
Energy: 0.6630718663810219
Energy: 0.3417804914161476
Energy: 0.6040853077328132
Energy: 0.34178049141477285
Energy: 0.688817524951195
Energy: 0.34105225616608886
Energy: 0.5154771075943814
Energy: 0.3410522560895817
Energy: 0.6681359053486361
Energy: 0.3417833205992485
Energy: 0.6000922563928176
Energy: 0.3417833205745237
Energy: 0.666940534023328
Energy: 0.3955124205105418
Energy: 0.6874516269958415
Energy: 0.3955124205114584
Energy: 0.5987791256634635
Energy: 0.3407193470870369
Energy: 0.6334886298849407
Energy: 0.34071934709391066
Energy: 0.5724286885652384
Energy: 0.3410978182481155
Energy: 0.6884089444671967
Energy: 0.34109781821239266
Energy: 0.5988651014760912
Energy: 0.34051816028293647
Energy: 0.7074119037002878
Energy: 0.34051816028293647
Energy: 0.4983002898023851
Energy: 0.34257198472217304
Energy: 0.6210686032718056
Energy: 0.34257198472263134
Energy: 0.4605142818340233
Energy: 0.3404088001596344
Energy: 0.7198405396107933
Energy: 0.3404088001596344
Energy: 0.4933511461367148
Energy: 0.34215122095063033
Energy: 0.7083281684392646
Energy: 0.34215122095063033
Energy: 0.39462660037700786
Energy: 0.3416620489578113
Energy: 0.7053207108289821
Energy: 0.3416620489578113
Energy: 0.391575252425254
Energy: 0.3411486552305682
Energy: 0.7332858781703275
Energy: 0.3411486552310264
Energy: 0.39588787597095887
Energy: 0.34049189309447786
Energy: 0.7097393085105059
Energy: 0.34049189309447786
Energy: 0.36489734122946516
Energy: 0.3403397000524607
Energy: 0.7095170035807454
Energy: 0.3403397000524607
Energy: 0.36308064443881893
Energy: 0.3632200320699106
Energy: 0.7321318922055626
Energy: 0.3632200320699106
Energy: 0.3696187107220802
Energy: 0.3399396009350589
Energy: 0.7251815349939013
Energy: 0.3399396009350589
Energy: 0.4106363480887078
Energy: 0.3420704951760654
Energy: 0.727077180938221
Energy: 0.3420704951760654
Energy: 0.4127372250020406
Energy: 0.3406014272489709
Energy: 0.7322469753609113
Energy: 0.3406014272489709
Energy: 0.420286590867173
Energy: 0.3431031928731601
Energy: 0.661412317221971
Energy: 0.3431031928731601
Energy: 0.5005655756944786
Energy: 0.33925899579043917
Energy: 0.7363657640263688
Energy: 0.33925899579043917
Energy: 0.4983158032844383
Energy: 0.3404584410004456
Energy: 0.7349336868481579
Energy: 0.3404584410004456
Energy: 0.5643061139388607
Energy: 0.3403587163086401
Energy: 0.6630107427562507
Energy: 0.3403587162811659
Energy: 0.596965091599497
Energy: 0.3402546598635519
Energy: 0.7301565753881563
Energy: 0.3402546598347028
Energy: 0.5965792395268151
Energy: 0.3403006936125918
Energy: 0.6647721151836772
Energy: 0.34030069425478937
Energy: 0.652760789632901
Energy: 0.3963282441046704
Energy: 0.5700818321379975
Energy: 0.3963282441046704
Energy: 0.6220845015405885
Energy: 0.42664798871850884
Energy: 0.6756610074146843
Energy: 0.4266479887198836
Energy: 0.688805030638141
Energy: 0.42989557165753894
Energy: 0.5721567950762276
Energy: 0.42989557165753894
Energy: 0.7363735893760659
Energy: 0.3417533933398323
Energy: 0.5718926473275557
Energy: 0.3417533933361662
Energy: 0.6314414973288777
Energy: 0.3420282801836284
Energy: 0.4995530993496023
Energy: 0.34202828018317016
Energy: 0.7365358312698701
Energy: 0.3411218994676427
Energy: 0.49414304403596454
Energy: 0.3411218994676427
Energy: 0.711543043722714
Energy: 0.3415809615695602
Energy: 0.4980110150668856
Energy: 0.34158096157001855
Energy: 0.7049064130985476
Energy: 0.34448377107523437
Energy: 0.3891201235875262
Energy: 0.34448377107523437
Energy: 0.7351663838382893
Energy: 0.3411074435526326
Energy: 0.38930560308798645
Energy: 0.3411074435526326
Energy: 0.7103131916846921
Energy: 0.34421056373085507
Energy: 0.3893312503741247
Energy: 0.34421056373085507
Energy: 0.7037155755940921
Energy: 0.342437501716163
Energy: 0.3445814245876505
Energy: 0.342437501716163
Energy: 0.7329680886759822
Energy: 0.34178904207667754
Energy: 0.34149602210583524
Energy: 0.34178904207667754
Energy: 0.7302051153129109
Energy: 0.3439707731004433
Energy: 0.3416148049963563
Energy: 0.3439707731004433

minimum gb energy = 0.33925899579043917 eV
minimum distance =  2.61856553886863 Angstroms
sigma value = 113


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

Energy: 0.013171178044189128
Energy: 0.26650767308881146
Energy: 0.581214992128263
Energy: 0.26650767308881146
Energy: 0.38722056040158415
Energy: 0.07618143049639677
Energy: 0.3874562482660051
Energy: 0.07618143049639677
Energy: 0.01366369633885411
Energy: 0.07610161446872313
Energy: 0.3868194073033156
Energy: 0.07610161446872313
Energy: 0.014650924754643118
Energy: 0.077124628791237
Energy: 0.3880158150175643
Energy: 0.077124628791237
Energy: 0.38898379396483035
Energy: 0.07727029069046719
Energy: 0.38950796120207765
Energy: 0.07727029069079988
Energy: 0.013647744066375235
Energy: 0.07574064249822386
Energy: 0.38641343561432034
Energy: 0.07574064249822386

minimum gb energy = 0.013171178044189128 eV
minimum distance =  2.83341281663177 Angstroms
sigma value = 1