Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614999085664749
cohesive_energy=3.5402517934376156
mass=63.546
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: -2.67105988788208e-05 eV

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

Energy: 0.013692998644856843
Energy: 0.014416792439477143
Energy: 0.01406296502326116
Energy: 0.014416792439477143
Energy: 0.014416792439477143
Energy: 0.773162307965502
Energy: 0.014416792439477143
Energy: 0.773162307965502
Energy: 0.01406296502326116
Energy: 0.014416792439477143
Energy: 0.013692998644856843
Energy: 0.014416792439477143
Energy: 0.014416792439477143
Energy: 0.773162307965502
Energy: 0.014416792439477143
Energy: 0.7731623079648748

minimum gb energy = 0.013692998644856843 eV
minimum distance =  2.46841863009038 Angstroms
sigma value = 1


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

Energy: 0.934390047350833
Energy: 0.9248407390117322
Energy: 0.8390699351387804
Energy: 0.9248407390117322
Energy: 0.8805591029484438
Energy: 0.9263061620758906
Energy: 0.8716611655484732
Energy: 0.9263061620758906
Energy: 0.8435077381698888
Energy: 0.9136318953790152
Energy: 0.8698650054813282
Energy: 0.9136318953790152
Energy: 0.8628184174202883
Energy: 0.9354517812410249
Energy: 0.8546483388763632
Energy: 0.9354517812402642
Energy: 0.8653302103955071
Energy: 0.9262959924971227
Energy: 0.8630949186438996
Energy: 0.9262959924971227
Energy: 0.8350109225602751
Energy: 0.9118699716573
Energy: 0.8281777642205718
Energy: 0.9118699716573
Energy: 0.8835828030432489
Energy: 0.9133059146877444
Energy: 0.8361347618957562
Energy: 0.9133059146877444
Energy: 0.7872488774230268
Energy: 0.9261040450728599
Energy: 0.8264667632331156
Energy: 0.9261040450728599
Energy: 0.8559164145700348
Energy: 0.8840021421003814
Energy: 0.8777200391810704
Energy: 0.884002142101142
Energy: 0.8235968466903819
Energy: 0.9131823325661848
Energy: 0.7814098566220106
Energy: 0.9131823325661848
Energy: 0.8670581920414572
Energy: 0.9161154004560478
Energy: 0.8560687999620096
Energy: 0.9161154004560478
Energy: 0.8628624195990521
Energy: 0.9258706453332899
Energy: 0.8332444221223668
Energy: 0.9258706453332899
Energy: 0.8694126001096352
Energy: 0.9130380196812192
Energy: 0.8838577478551516
Energy: 0.9130380196812192
Energy: 0.8749096466105919
Energy: 0.9210237050356442
Energy: 0.8475847088094962
Energy: 0.9210237050356442
Energy: 0.8704293454880901
Energy: 0.9262712095609413
Energy: 0.8695153551850536
Energy: 0.9262712095601807
Energy: 0.8766626961300739
Energy: 0.924737525366468
Energy: 0.8695932625227167
Energy: 0.9247375253672288
Energy: 0.8695725679287062
Energy: 0.913572847448871
Energy: 0.8195877133300944
Energy: 0.9135728474496315
Energy: 0.8717919925058591
Energy: 0.9144269710674604
Energy: 0.8812470093867352
Energy: 0.9144269710682211
Energy: 0.8121293111534422
Energy: 0.9254454649243817
Energy: 0.8328823166749189
Energy: 0.9254454649243817
Energy: 0.871237377017772
Energy: 0.8723057940834829
Energy: 0.8590146631684864
Energy: 0.8723057940834829
Energy: 0.8251633986767266
Energy: 0.9134247997953769
Energy: 0.8021863235872106
Energy: 0.9134247997946164
Energy: 0.855030584324563
Energy: 0.9248489631880296
Energy: 0.8708229581239436
Energy: 0.9248489631880296
Energy: 0.8635003326401857
Energy: 0.926340635951012
Energy: 0.8256930844365029
Energy: 0.9263406359502514
Energy: 0.8528441003001105
Energy: 0.9146628829963313
Energy: 0.8349463889459727
Energy: 0.9146628829963313
Energy: 0.836184579205191
Energy: 0.9084319334860137
Energy: 0.8834859736748689
Energy: 0.9084319334860137
Energy: 0.8677001676857544
Energy: 0.925947088945146
Energy: 0.8254580472408488
Energy: 0.9259470889459067
Energy: 0.8690440642444508
Energy: 0.9228773358566744
Energy: 0.8556882538076221
Energy: 0.9228773358566744
Energy: 0.823701220705346
Energy: 0.9131149196693319
Energy: 0.8696770076781125
Energy: 0.9131149196693319
Energy: 0.8798691209077472
Energy: 0.9240180723861066
Energy: 0.8759492633486069
Energy: 0.9240180723861066
Energy: 0.8830740385555437
Energy: 0.9252204484704204
Energy: 0.8659884636446732
Energy: 0.9252204484704204
Energy: 0.8782253045510288
Energy: 0.9197041765883103
Energy: 0.8693038014021734
Energy: 0.9197041765883103
Energy: 0.8542728597626055
Energy: 0.9140747465631842
Energy: 0.8747110109381913
Energy: 0.9140747465647054
Energy: 0.8650680657089854
Energy: 0.9345295968825863
Energy: 0.8552157015260043
Energy: 0.9345295968818255

minimum gb energy = 0.7814098566220106 eV
minimum distance =  2.2937734687046 Angstroms
sigma value = 1


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

Energy: 0.9989194542223329
Energy: 0.989125600635342
Energy: 0.8834628131314867
Energy: 0.989125600635342
Energy: 0.9075533672784051
Energy: 0.9657580674544657
Energy: 0.9110328402268159
Energy: 0.9657580674544657
Energy: 0.8645313132737213
Energy: 0.9886747201816207
Energy: 0.9056289267550852
Energy: 0.9886747201816207
Energy: 0.8825655460271158
Energy: 0.9367707355742191
Energy: 0.8682626303599614
Energy: 0.9367707355742191
Energy: 0.8826941060543652
Energy: 0.9714983376462878
Energy: 0.919038387305982
Energy: 0.9714983376462878
Energy: 0.9270300693809682
Energy: 0.9729721406460156
Energy: 0.8805447627391418
Energy: 0.9729721406460156
Energy: 0.9071273141854664
Energy: 0.9406763876087635
Energy: 0.8998263231895977
Energy: 0.9406763876087635
Energy: 0.8166149037556406
Energy: 0.9886924200226004
Energy: 0.8465487985318454
Energy: 0.9886924200217331
Energy: 0.8813141447848204
Energy: 0.9251101455744158
Energy: 0.911031861844869
Energy: 0.9251101455752831
Energy: 0.8729722227409745
Energy: 0.9896619381084589
Energy: 0.8839595834127928
Energy: 0.9896619381075916
Energy: 0.9069854957761327
Energy: 0.9502951435340489
Energy: 0.9068494655318146
Energy: 0.9502951435340489
Energy: 0.8510714928415922
Energy: 0.9799084349168834
Energy: 0.9058445158447781
Energy: 0.9799084349168834
Energy: 0.9258560761602028
Energy: 0.9708052809636123
Energy: 0.8965842915957748
Energy: 0.970805280962745
Energy: 0.9254454028434606
Energy: 0.9707977345749237
Energy: 0.9189931105167105
Energy: 0.9707977345749237
Energy: 0.8508988582412191
Energy: 0.9798012089128169
Energy: 0.9056490249352142
Energy: 0.9798012089128169
Energy: 0.9071032796991934
Energy: 0.9502558532206111
Energy: 0.8990425221652203
Energy: 0.9502558532206111
Energy: 0.8729194771162935
Energy: 0.9900074528361693
Energy: 0.8534034166553779
Energy: 0.990007452835302
Energy: 0.8838899836748095
Energy: 0.9252220676791851
Energy: 0.9110308573599419
Energy: 0.9252220676791851
Energy: 0.8166495997831839
Energy: 0.9893765641934377
Energy: 0.8467857470142747
Energy: 0.9893765641925703
Energy: 0.9070973839382962
Energy: 0.9406974188941489
Energy: 0.8747752068937673
Energy: 0.9406974188941489
Energy: 0.9266978388055521
Energy: 0.9727813765980848
Energy: 0.8923338352620759
Energy: 0.9727813765980848
Energy: 0.8826887661420003
Energy: 0.9715049126915792
Energy: 0.9009628258586837
Energy: 0.9715049126915792
Energy: 0.8827876387745848
Energy: 0.936888984814114
Energy: 0.8997160341921141
Energy: 0.936888984814114
Energy: 0.8643336329843836
Energy: 0.9886677691549401
Energy: 0.9055265431386358
Energy: 0.988667769154073
Energy: 0.9076186396248638
Energy: 0.9657574887104513
Energy: 0.9111579124239031
Energy: 0.9657574887104513
Energy: 0.9989194542223329
Energy: 0.989125600635342
Energy: 0.952717102057523
Energy: 0.989125600635342
Energy: 0.9075533672784051
Energy: 0.9657580674544657
Energy: 0.9110328402268159
Energy: 0.9657580674544657
Energy: 0.8645313132745887
Energy: 0.9886747201816207
Energy: 0.9104717760476623
Energy: 0.9886747201816207
Energy: 0.8825655460271158
Energy: 0.9367707355742191
Energy: 0.8708130849200748
Energy: 0.9367707355742191

minimum gb energy = 0.8166149037556406 eV
minimum distance =  2.28351296237969 Angstroms
sigma value = 25


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

Energy: 0.954896172131093
Energy: 1.0372099391566951
Energy: 0.9556382208824005
Energy: 1.0372099391566951
Energy: 0.9691677712769716
Energy: 1.0029833385712654
Energy: 0.9337852295074288
Energy: 1.0029833385712654
Energy: 0.9224620283290322
Energy: 1.0649804852050186
Energy: 0.9349520724352092
Energy: 1.0649804852050186
Energy: 0.932632494956679
Energy: 1.009512130044882
Energy: 0.9083241755707032
Energy: 1.009512130044882
Energy: 0.9098015167701008
Energy: 1.0374196466221532
Energy: 0.8758443351070391
Energy: 1.0374196466221532
Energy: 0.9866714449572113
Energy: 1.0653826641721165
Energy: 0.9078028960048041
Energy: 1.0653826641721165
Energy: 0.9349635068525385
Energy: 0.9369287088031848
Energy: 0.9311575523792339
Energy: 0.9369287088031848
Energy: 1.0202772706864986
Energy: 1.0377233974073325
Energy: 0.8709655062613468
Energy: 1.0377233974073325
Energy: 0.9315580888395575
Energy: 0.9987958823800701
Energy: 0.9351840661541301
Energy: 0.9987958823800701
Energy: 0.9335934287614226
Energy: 1.0654038726634456
Energy: 0.8984840849039059
Energy: 1.0654038726634456
Energy: 0.9341531425721877
Energy: 1.0370252622490879
Energy: 0.9344726664005778
Energy: 1.0370252622490879
Energy: 0.9095902556222201
Energy: 1.0370971764609036
Energy: 0.9347255849903836
Energy: 1.0370971764609036
Energy: 0.9347346586316843
Energy: 1.010284548015429
Energy: 0.8979994511697383
Energy: 1.010284548015429
Energy: 0.9320181562479392
Energy: 0.9338216008824162
Energy: 0.9687228416152366
Energy: 0.9338216008824162
Energy: 0.8951729264744795
Energy: 1.0376323217212147
Energy: 0.8690656260461717
Energy: 1.0376323217212147
Energy: 0.9344634055416592
Energy: 0.9392396525821015
Energy: 0.9083445638340201
Energy: 0.9392396525810932
Energy: 0.8558629544763694
Energy: 1.064891821225902
Energy: 0.855509707419874
Energy: 1.064891821225902
Energy: 0.9083214325461626
Energy: 1.0118476619412178
Energy: 0.9319857191917608
Energy: 1.0118476619412178
Energy: 0.8967567675781366
Energy: 1.0088693257059438
Energy: 0.9100977355454241
Energy: 1.0088693257059438
Energy: 0.9097536830865576
Energy: 1.0651405888966847
Energy: 0.9375366234993657
Energy: 1.0651405888966847
Energy: 0.9455372175834762
Energy: 0.9937284197172425
Energy: 0.93531926364146
Energy: 0.9937284197172425
Energy: 0.9548175467359287
Energy: 1.037284468525395
Energy: 0.9790165005226357
Energy: 1.037284468525395
Energy: 0.9364653959989256
Energy: 1.0043776028857283
Energy: 0.9342300594567516
Energy: 1.0043776028857283
Energy: 0.8998803373692436
Energy: 1.0654471171592659
Energy: 0.9337654339988812
Energy: 1.0654471171592659
Energy: 0.9348406297810637
Energy: 0.9442772185518395
Energy: 0.9073417074303255
Energy: 0.9442772185478067

minimum gb energy = 0.855509707419874 eV
minimum distance =  2.2882325230686 Angstroms
sigma value = 9


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

Energy: 1.0116139657440262
Energy: 1.0109326521413409
Energy: 0.9879367496314935
Energy: 1.010932652140138
Energy: 0.9731873885079254
Energy: 1.0678290689253804
Energy: 0.9959774289083495
Energy: 1.0678290689253804
Energy: 0.9034006802549753
Energy: 1.0061249329515378
Energy: 0.9539179324822831
Energy: 1.0061249329539435
Energy: 1.0048517494309503
Energy: 1.087737817900722
Energy: 0.9227203407393704
Energy: 1.087737817900722
Energy: 1.0603980459279354
Energy: 1.0670077477489615
Energy: 0.983888537626632
Energy: 1.0670077477489615
Energy: 0.8936088790853615
Energy: 1.0062731930069533
Energy: 0.9235312676495785
Energy: 1.0062731930069533
Energy: 1.0030434246861744
Energy: 0.9231868933388032
Energy: 0.9239439312963864
Energy: 0.9231868933376004
Energy: 0.9876589169415538
Energy: 1.0061196967185475
Energy: 0.91569408870578
Energy: 1.0061196967185475
Energy: 1.0021049546497027
Energy: 1.0676293645948436
Energy: 1.0273341445285589
Energy: 1.0676293645948436
Energy: 1.0082701299485248
Energy: 1.0108915010114214
Energy: 0.9227215290617601
Energy: 1.0108915010114214
Energy: 0.9478454012140604
Energy: 1.0660917690061278
Energy: 0.953633515805429
Energy: 1.0660917690061278
Energy: 1.0048336912630418
Energy: 1.0326749162996418
Energy: 0.9226294129130197
Energy: 1.0326749162996418
Energy: 0.8936710155545456
Energy: 1.0110283484230413
Energy: 0.9463008999181209
Energy: 1.0110283484230413
Energy: 0.9699366724870552
Energy: 1.00545529383633
Energy: 0.9960829166013329
Energy: 1.00545529383633
Energy: 0.8936645076082675
Energy: 1.0109832822621332
Energy: 0.9873604413926584
Energy: 1.0109832822621332
Energy: 1.0048344472402948
Energy: 1.0324333781627035
Energy: 0.9225813842479692
Energy: 1.0324333781627035
Energy: 0.9476907642622588
Energy: 1.0659629336173022
Energy: 1.0009627623526942
Energy: 1.0659629336173022
Energy: 1.0079551311976436
Energy: 1.011196742422708
Energy: 0.9229508227401668
Energy: 1.011196742422708
Energy: 1.0021062161574559
Energy: 1.0675418368869678
Energy: 0.9983539136462426
Energy: 1.0675418368869678
Energy: 0.9876572659472566
Energy: 1.0061769395516884
Energy: 0.9157128078648274
Energy: 1.0061769395516884
Energy: 1.0030382762705958
Energy: 0.9231141334860963
Energy: 0.9239471929738429
Energy: 0.9231141334860963

minimum gb energy = 0.8936088790853615 eV
minimum distance =  2.36683805745651 Angstroms
sigma value = 25


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

Energy: 0.9584703848817597
Energy: 1.1085278508772278
Energy: 1.0475706482964262
Energy: 1.1085278508757404
Energy: 0.9430108814105713
Energy: 1.0808359780247603
Energy: 0.931936026953034
Energy: 1.0808359780247603
Energy: 0.932603266585922
Energy: 1.094462022618196
Energy: 0.9316800211604989
Energy: 1.0944620226062967
Energy: 0.9585281239825308
Energy: 1.0761006274204514
Energy: 1.060217331505629
Energy: 1.0761006274204514
Energy: 1.057328789605527
Energy: 0.9436378503975345
Energy: 0.9820350095695773
Energy: 0.9436378503990219
Energy: 0.9355941565185186
Energy: 1.1605790645443177
Energy: 0.9343543328199335
Energy: 1.1605790645443177
Energy: 0.9670722599802838
Energy: 1.0763183384321502
Energy: 0.9320592318867007
Energy: 1.0763183384321502
Energy: 1.0483405343787275
Energy: 0.9332059406063405
Energy: 0.9572654863802205
Energy: 0.9332059406122901
Energy: 0.9318744057396504
Energy: 1.0781276097594172
Energy: 0.9452876174745664
Energy: 1.0781276097609045
Energy: 1.0920868591695925
Energy: 1.0939624368085719
Energy: 0.9341533147668286
Energy: 1.0939624368100593
Energy: 0.9991480625715455
Energy: 1.0768936064733268
Energy: 1.1712247417609907
Energy: 1.0768936064748142
Energy: 0.9324103719827114
Energy: 0.9690545413259244
Energy: 1.090323159657646
Energy: 0.9690545413259244
Energy: 1.0479110462045502
Energy: 1.0941847077223732
Energy: 0.9319999589044897
Energy: 1.0941847077253481
Energy: 0.9318765602833464
Energy: 1.0787040611512266
Energy: 0.9572866525866578
Energy: 1.0787040611512266
Energy: 0.9320098397328338
Energy: 1.0690577872949332
Energy: 1.0485381851213254
Energy: 1.0690577872964204
Energy: 0.9427245821557626
Energy: 1.0378121375157925
Energy: 0.9353573520099021
Energy: 1.0378121375128178
Energy: 0.9322198070707733
Energy: 1.0155512828457733
Energy: 1.0899008881034888
Energy: 1.0155512828457733

minimum gb energy = 0.9316800211604989 eV
minimum distance =  2.34969420317221 Angstroms
sigma value = 17


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

Energy: 1.062222019756611
Energy: 1.0614325600771304
Energy: 1.198592307348036
Energy: 1.0614325600771304
Energy: 1.0957692308950842
Energy: 1.023373585059071
Energy: 0.9596206051975258
Energy: 1.0233735850582286
Energy: 1.076456235724585
Energy: 1.057658521205268
Energy: 0.9593340605039326
Energy: 1.0576585212044258
Energy: 0.9617628681893291
Energy: 1.0610368302965187
Energy: 1.0339239131660185
Energy: 1.0610368302956763
Energy: 1.1039236116383846
Energy: 1.1249471791967927
Energy: 0.9828388132344371
Energy: 1.1249471791967927
Energy: 0.9715733319225818
Energy: 0.9953210576663051
Energy: 1.0734381995760385
Energy: 0.9953210576654627
Energy: 0.9643893088206326
Energy: 1.0680260232759065
Energy: 0.9599703774657649
Energy: 1.0680260232759065
Energy: 1.07140395287032
Energy: 1.0608862663369456
Energy: 0.9688444490520504
Energy: 1.0608862663377878
Energy: 0.9744928855805579
Energy: 1.1063175017246234
Energy: 1.1057687752324754
Energy: 1.1063175017254658
Energy: 1.1740184438247383
Energy: 1.033071592323302
Energy: 0.9598710359616843
Energy: 1.033071592323302
Energy: 0.9645116899410433
Energy: 1.0575611209482418
Energy: 1.0800010153814867
Energy: 1.0575611209482418
Energy: 0.9692899180366
Energy: 1.0647746197283314
Energy: 0.9691243754802814
Energy: 1.0647746197283314
Energy: 1.0930156445090347
Energy: 1.058856808145119
Energy: 1.0585476115953545
Energy: 1.0588568081459615
Energy: 0.9594856237934626
Energy: 1.176850386851074
Energy: 1.086783684099349
Energy: 1.1768503868502316
Energy: 1.0456802245273935
Energy: 1.0692555455115365
Energy: 0.9739962559917272
Energy: 1.0692555455123787
Energy: 1.077785804124553
Energy: 1.0606775309101102
Energy: 1.0714526062864247
Energy: 1.0606775309109524
Energy: 0.960340553612127
Energy: 1.0562872831691916
Energy: 1.1820089361455441
Energy: 1.0562872831691916
Energy: 1.0685061227968893
Energy: 1.0568073598936067
Energy: 0.9715783133890484
Energy: 1.0568073598927643
Energy: 0.9947583088412436
Energy: 1.0728900564722104
Energy: 1.0239211290033041
Energy: 1.0728900564730144
Energy: 0.9596994685909788
Energy: 1.0611124621455839
Energy: 0.9619680753551534
Energy: 1.0611124621447414
Energy: 1.0166456614022787
Energy: 1.0578980424115503
Energy: 1.0762194717965998
Energy: 1.0578980424115503
Energy: 0.9599280765858834
Energy: 1.127383140416937
Energy: 1.176581055668597
Energy: 1.1273831404160946
Energy: 1.0942773199058278
Energy: 1.0615297541355238
Energy: 0.9598661165367358
Energy: 1.0615297541355238
Energy: 0.9686045312097463
Energy: 1.069512741303379
Energy: 1.088692899303152
Energy: 1.069512741303379
Energy: 0.9684095254916711
Energy: 1.0576205643204253
Energy: 1.087849603527348
Energy: 1.0576205643204253
Energy: 1.0981446149714067
Energy: 1.0609012197015033
Energy: 0.9610709712784163
Energy: 1.0609012197015033
Energy: 0.982197682693206
Energy: 1.1057245226824501
Energy: 1.200205406095786
Energy: 1.1057245226824501
Energy: 1.0741607287106711
Energy: 0.9950902203864638
Energy: 1.0772796014048938
Energy: 0.9950902203864638
Energy: 1.1438352766575781
Energy: 1.1023162478468216
Energy: 0.9642572150325145
Energy: 1.1023162478468216
Energy: 0.9686396707585179
Energy: 1.1052452945422946
Energy: 1.0698258861603234
Energy: 1.105245294541452

minimum gb energy = 0.9593340605039326 eV
minimum distance =  2.26803643216875 Angstroms
sigma value = 53


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

Energy: 0.9210096187013722
Energy: 0.9203321512539515
Energy: 1.1646048768646564
Energy: 0.9203321512539515
Energy: 1.1021210466020266
Energy: 0.9954563712053083
Energy: 0.9357411943973979
Energy: 0.9954563712053083
Energy: 0.9218974291481561
Energy: 0.9197873790021356
Energy: 1.0832899074090874
Energy: 0.9197873790021356
Energy: 0.9216379495029519
Energy: 0.9198952868906376
Energy: 1.0273839442145745
Energy: 0.9198952868906376
Energy: 1.1021279382579743
Energy: 0.9954577052550336
Energy: 0.9374498092703633
Energy: 0.9954577052550336
Energy: 0.9210096187013722
Energy: 0.9203321512539515
Energy: 1.2213905690204392
Energy: 0.9203321512539515
Energy: 1.1021210466020266
Energy: 0.9954563712053083
Energy: 1.027293963836325
Energy: 0.9954563712053083
Energy: 0.9218974291481561
Energy: 0.9197873790021356
Energy: 1.0832899074090874
Energy: 0.9197873790021356
Energy: 0.9216379495029519
Energy: 0.9198952868906376
Energy: 1.093221985956478
Energy: 0.9198952868906376
Energy: 1.1021279382579743
Energy: 0.9954577052550336
Energy: 1.0285070849197733
Energy: 0.9954577052550336
Energy: 0.9210096187013722
Energy: 0.9203321512539515
Energy: 1.2213986488020077
Energy: 0.9203321512539515
Energy: 1.1021210466020266
Energy: 0.9954563712053083
Energy: 1.0814804833736624
Energy: 0.9954563712053083
Energy: 0.9218974291481561
Energy: 0.9197873790021356
Energy: 1.0832899074090874
Energy: 0.9197873790021356

minimum gb energy = 0.9197873790021356 eV
minimum distance =  2.32760248783861 Angstroms
sigma value = 9


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

Energy: 1.0171042740797303
Energy: 1.151571455194219
Energy: 1.290090553502194
Energy: 1.151571455194219
Energy: 1.136375606499452
Energy: 1.0545217808268654
Energy: 1.0135951702768238
Energy: 1.0545217808268654
Energy: 0.9959082060747081
Energy: 1.0060916775871225
Energy: 1.0131086569607652
Energy: 1.0060916775864048
Energy: 1.1034043363774726
Energy: 1.1779764778962494
Energy: 1.0135203906315078
Energy: 1.1779764778984028
Energy: 1.1242349489007049
Energy: 1.0583910704948032
Energy: 1.0113067535175821
Energy: 1.0583910704948032
Energy: 1.0064641058204593
Energy: 1.0056870177392683
Energy: 1.1092497108392707
Energy: 1.0056870177385506
Energy: 1.2849455127209415
Energy: 1.054457082282856
Energy: 1.0115101867425667
Energy: 1.0544570822835737
Energy: 1.0021045491553766
Energy: 1.219048517464698
Energy: 1.1138540342949816
Energy: 1.219048517464698
Energy: 0.9984882247220536
Energy: 1.1836865466510407
Energy: 1.012379005720521
Energy: 1.1836865466582185
Energy: 0.9979462631453626
Energy: 1.0518996993819754
Energy: 1.010598238668811
Energy: 1.0518996993819754
Energy: 1.0031693955335896
Energy: 1.0702798074666746
Energy: 1.2690508721843226
Energy: 1.0702798074709816
Energy: 1.1296266972620115
Energy: 1.1434737935788097
Energy: 1.0028355742440616
Energy: 1.143473793578092
Energy: 0.9979828228155625
Energy: 1.0805402841143024
Energy: 1.1968204635623534
Energy: 1.0805402841143024
Energy: 1.107185329436271
Energy: 1.1134032081572878
Energy: 1.020359414613779
Energy: 1.1134032081558525
Energy: 1.005649242827006
Energy: 1.1273577479383468
Energy: 1.1120749469970528
Energy: 1.1273577479383468
Energy: 1.0014576969150222
Energy: 1.18365452652791
Energy: 1.1061447157383926
Energy: 1.1836545265271918
Energy: 1.0640709345136132
Energy: 1.127057587599094
Energy: 1.0054327973142156
Energy: 1.1270575875998117
Energy: 1.0061484136134802
Energy: 1.0548521960845043
Energy: 1.1228130955489388
Energy: 1.0548521960830688
Energy: 1.122537074141816
Energy: 1.0799951723481693
Energy: 1.0077726189337883
Energy: 1.0799951723481693
Energy: 1.004249108983644
Energy: 1.0622383210058315
Energy: 1.073092819546277
Energy: 1.0622383210051138
Energy: 1.1083188181797345
Energy: 1.172047708678391
Energy: 1.1049542269282322
Energy: 1.172047708678391
Energy: 1.0774936042609862
Energy: 1.1148074745117216
Energy: 0.9973821138044685
Energy: 1.1148074745117216
Energy: 1.0122535367017493
Energy: 1.1330623415485732
Energy: 0.9979072559424894
Energy: 1.1330623415478553
Energy: 1.2876541017613523
Energy: 1.0730402683866305
Energy: 1.0012532523517197
Energy: 1.0730402683866305
Energy: 1.0117945632897263
Energy: 1.1567671694319077
Energy: 1.2145201009363076
Energy: 1.1567671694326258
Energy: 1.0611977943115585
Energy: 1.0060618350179003
Energy: 0.9965216026558208
Energy: 1.0060618350179003
Energy: 1.1167093623876008
Energy: 1.1304578051286724
Energy: 1.1026475661439068
Energy: 1.1304578051286724
Energy: 1.024393883816222
Energy: 1.1773109989149162
Energy: 1.1031940075483353
Energy: 1.1773109989106094
Energy: 1.0588396688054813
Energy: 1.0055538195074252
Energy: 0.9958798090187229
Energy: 1.0055538195074252
Energy: 1.0134538116298404
Energy: 1.1557842799957434
Energy: 1.216364637759784
Energy: 1.1557842799957434
Energy: 1.2190082270725218
Energy: 1.072373748242126
Energy: 1.0007341781782888
Energy: 1.0723737482414084
Energy: 1.0140307356330054
Energy: 1.0559239462126253
Energy: 0.9968254872017837
Energy: 1.0559239462126253
Energy: 1.014104743093775
Energy: 1.1188108169375215
Energy: 0.9964326682337952
Energy: 1.1188108169375215
Energy: 1.1121892809337692
Energy: 1.1741332700949445
Energy: 1.1031794665670838
Energy: 1.1741332700863312
Energy: 1.0105269797030711
Energy: 1.1562385294398145
Energy: 1.2841688705708016
Energy: 1.1562385294405322

minimum gb energy = 0.9958798090187229 eV
minimum distance =  2.28414740590924 Angstroms
sigma value = 73


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

Energy: 1.0872713039621338
Energy: 1.0830268035088146
Energy: 1.2777147742887898
Energy: 1.0830268035088146
Energy: 1.0785920884771756
Energy: 1.0951029695245327
Energy: 1.015131271906647
Energy: 1.0951029695245327
Energy: 1.010172429500783
Energy: 1.0135000665982006
Energy: 1.0122460393976336
Energy: 1.0135000665982006
Energy: 0.9977533849296332
Energy: 1.0200711788606405
Energy: 1.023630704154837
Energy: 1.0200711788595016
Energy: 1.055181495738827
Energy: 1.0913735418268857
Energy: 1.0235245230288104
Energy: 1.0913735418280246
Energy: 1.0208126329133034
Energy: 1.0148200199635284
Energy: 1.1777044704663364
Energy: 1.0148200199635284
Energy: 1.272092778296653
Energy: 1.1485911819197823
Energy: 1.0132501922512305
Energy: 1.1485911819197823
Energy: 1.0039821085972345
Energy: 1.0109408451932993
Energy: 1.1907266497706377
Energy: 1.0109408451932993
Energy: 1.2335530868142663
Energy: 1.0120024745400908
Energy: 1.0142383011948437
Energy: 1.0120024745412297
Energy: 1.010999767414136
Energy: 1.0812384971184812
Energy: 1.0112579536101038
Energy: 1.08123849711962
Energy: 1.0069779622950301
Energy: 1.0118494602664678
Energy: 1.1794225777991816
Energy: 1.011849460265329
Energy: 1.1304931347006955
Energy: 1.0202206473776507
Energy: 0.9981046105347974
Energy: 1.0202206473776507
Energy: 1.0221527450603607
Energy: 1.077136532962338
Energy: 1.1888169589936992
Energy: 1.077136532962338
Energy: 1.2132459847240644
Energy: 1.1410561743745873
Energy: 1.0208051575036905
Energy: 1.1410561743745873
Energy: 1.0064097142934212
Energy: 1.1632370840124007
Energy: 1.1815998656123532
Energy: 1.1632370840124007
Energy: 1.1801045383106865
Energy: 1.011376325853947
Energy: 1.0041067243575048
Energy: 1.0113763258550859
Energy: 1.0772243725203972
Energy: 1.0772749905440324
Energy: 1.010119603715767
Energy: 1.0772749905440324
Energy: 1.0783275884058627
Energy: 1.020531698394016
Energy: 1.010206198071681
Energy: 1.020531698394016
Energy: 1.0085820395232998
Energy: 1.0116526222125262
Energy: 1.002913200485169
Energy: 1.0116526222125262
Energy: 1.0150684763217976
Energy: 1.1000863454546386
Energy: 1.2225156334945264
Energy: 1.1000863454546386
Energy: 1.2035909490243195
Energy: 1.0110119854882846
Energy: 1.0217736328962927
Energy: 1.0110119854882846
Energy: 1.0234461762552234
Energy: 1.0914478440287882
Energy: 1.133679914852582
Energy: 1.0914478440276494

minimum gb energy = 0.9977533849296332 eV
minimum distance =  2.28854359522382 Angstroms
sigma value = 7


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

Energy: 1.040799464253158
Energy: 1.0390668558939578
Energy: 1.298460076561713
Energy: 1.0390668558947629
Energy: 1.2458517616934757
Energy: 1.0758367609197204
Energy: 1.017715377947959
Energy: 1.0758367609205257
Energy: 1.011266268300953
Energy: 1.0390147048468967
Energy: 1.0348360548116267
Energy: 1.0390147048468967
Energy: 1.034581692547409
Energy: 1.097812966101015
Energy: 1.0173462197788528
Energy: 1.097812966101015
Energy: 1.0117757086861674
Energy: 1.0791755961251446
Energy: 1.0318578730431511
Energy: 1.0791755961259497
Energy: 1.0095125942715784
Energy: 1.039923603098122
Energy: 1.2129663503084487
Energy: 1.039923603098122
Energy: 1.135893487562402
Energy: 1.1230931070992232
Energy: 1.0266911964923688
Energy: 1.1230931070992232
Energy: 1.0095343257310099
Energy: 1.0394912651332793
Energy: 1.244892199543164
Energy: 1.0394912651340846
Energy: 1.1417999330381368
Energy: 1.0865923859842375
Energy: 1.0189829568370568
Energy: 1.086592385983432
Energy: 1.0101462467909617
Energy: 1.1018891723525137
Energy: 1.1218215679886339
Energy: 1.1018891723525137
Energy: 1.036061811440393
Energy: 1.0423675689037513
Energy: 1.0354606980861059
Energy: 1.0423675689037513
Energy: 1.045086507168785
Energy: 1.0794064654382478
Energy: 1.036093619846562
Energy: 1.0794064654382478
Energy: 1.0417512999486636
Energy: 1.039543069501119
Energy: 1.036707222077219
Energy: 1.039543069501119
Energy: 1.034651684654881
Energy: 1.0344415511337521
Energy: 1.0353935915195658
Energy: 1.0344415511337521
Energy: 1.0086986241747182
Energy: 1.182911606367838
Energy: 1.14351988666779
Energy: 1.182911606367838
Energy: 1.2980545071025416
Energy: 1.0341982002255317
Energy: 1.0207335849779817
Energy: 1.0341982002255317
Energy: 1.0084994672493035
Energy: 1.0790832612481263
Energy: 1.0685181189063235
Energy: 1.0790832612481263
Energy: 1.0270363309909174
Energy: 1.175484087715158
Energy: 1.0358755193413711
Energy: 1.175484087715158
Energy: 1.008868011661396
Energy: 1.0394200861085081
Energy: 1.0362218117189945
Energy: 1.0394200861085081
Energy: 1.0098908249915253
Energy: 1.0808120464454452
Energy: 1.0362098632918302
Energy: 1.0808120464454452
Energy: 1.036248088670978
Energy: 1.1786568126207517
Energy: 1.0188102209058414
Energy: 1.1786568126207517
Energy: 1.0096775099092017
Energy: 1.0391314688865296
Energy: 1.1246386263595343
Energy: 1.039131468884919
Energy: 1.226762657693033
Energy: 1.0868465361738926
Energy: 1.026632774037575
Energy: 1.0868465361738926
Energy: 1.0405109030807533
Energy: 1.039735496052071
Energy: 1.2123940554329475
Energy: 1.039735496052071
Energy: 1.0434503343221473
Energy: 1.0810250852433494
Energy: 1.0267674920151373
Energy: 1.0810250852433494
Energy: 1.0347115391635702
Energy: 1.0386636837438965
Energy: 1.034922931824699
Energy: 1.0386636837438965
Energy: 1.0119506585399338
Energy: 1.0997009525571104
Energy: 1.026958340133329
Energy: 1.0997009525571104
Energy: 1.0344488813096067
Energy: 1.0786960465439952
Energy: 1.0174128354806171
Energy: 1.0786960465439952
Energy: 1.010833557926109
Energy: 1.0399754944025965
Energy: 1.1197451789726693
Energy: 1.0399754944034019
Energy: 1.0489237682782666
Energy: 1.0339158851421237
Energy: 1.0176804616433461
Energy: 1.033915885142929
Energy: 1.0106789711822428
Energy: 1.040132794530274
Energy: 1.1899307122339504
Energy: 1.040132794529469

minimum gb energy = 1.0084994672493035 eV
minimum distance =  2.28347145916609 Angstroms
sigma value = 29


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

Energy: 0.9980709595259016
Energy: 0.9868757324500463
Energy: 0.9698535225458752
Energy: 0.9868757324497659
Energy: 0.9663928455931704
Energy: 1.0003787807251048
Energy: 0.98392990012634
Energy: 1.0003787807253541
Energy: 0.9703701190811104
Energy: 1.0538916599649677
Energy: 1.083213610920147
Energy: 1.053891659965217
Energy: 0.9992294154660685
Energy: 0.9668838376203256
Energy: 0.9858944161642248
Energy: 0.9668838376197645
Energy: 0.9984831616017803
Energy: 1.027696757308625
Energy: 0.9686655190296646
Energy: 1.0276967573083449
Energy: 0.9860084870249712
Energy: 1.0485264803628003
Energy: 0.985570883904409
Energy: 1.0485264803628003
Energy: 0.9698642704163626
Energy: 1.0277068882588558
Energy: 0.9985624032994544
Energy: 1.0277068882588558
Energy: 0.9833894275047863
Energy: 0.9668823526514205
Energy: 0.9990752443748999
Energy: 0.9668823526511712
Energy: 1.0829714406147328
Energy: 1.0540326593738003
Energy: 0.9731267156471161
Energy: 1.0540326593738003

minimum gb energy = 0.9663928455931704 eV
minimum distance =  2.32442130184725 Angstroms
sigma value = 5


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

Energy: 0.9592273305366981
Energy: 0.979494284538349
Energy: 1.0975963782214473
Energy: 0.979494284538349
Energy: 1.0962736501800716
Energy: 0.9962184331233467
Energy: 0.9257125862515735
Energy: 0.9962184331233467
Energy: 0.9325502600875506
Energy: 0.9715885254060095
Energy: 1.1033979477610267
Energy: 0.9715885254060095
Energy: 0.924823750222623
Energy: 1.0115176036712121
Energy: 0.9360533506429384
Energy: 1.0115176036704514
Energy: 0.9422266573878814
Energy: 1.0198408708404971
Energy: 1.106791022624308
Energy: 1.0198408708397364
Energy: 0.9731179160880193
Energy: 0.9820969811377055
Energy: 0.9248070997105353
Energy: 0.9820969811377055
Energy: 0.9314291896415418
Energy: 1.0174543315388116
Energy: 0.9425991909516528
Energy: 1.0174543315388116
Energy: 0.9287124488163191
Energy: 0.9839437699993372
Energy: 0.9366480242864018
Energy: 0.9839437699993372
Energy: 0.9428229315333242
Energy: 1.0176766458764497
Energy: 0.9309999279296773
Energy: 1.0176766458764497
Energy: 0.9388822137678567
Energy: 1.0173022991015988
Energy: 0.9260299438594773
Energy: 1.0173022991023593
Energy: 0.9507170047970332
Energy: 0.9829871724123872
Energy: 0.9356262782364074
Energy: 0.9829871724123872
Energy: 0.9354988999883715
Energy: 1.03156140788652
Energy: 0.9841126273411201
Energy: 1.031561407887281
Energy: 0.973681544477058
Energy: 0.9802062151064461
Energy: 0.9683618924785413
Energy: 0.9802062151064461
Energy: 0.9431746065728013
Energy: 0.98100156005663
Energy: 0.9606042381670663
Energy: 0.98100156005663
Energy: 1.1196182272067712
Energy: 1.013007899110809
Energy: 0.9355020028019867
Energy: 1.0130078991123304
Energy: 0.9396313484459812
Energy: 0.9713018813364296
Energy: 0.9529490656646101
Energy: 0.9713018813364296
Energy: 1.1140656626886536
Energy: 1.0336602163605393
Energy: 0.935286371006534
Energy: 1.0336602163613
Energy: 0.9444024169798787
Energy: 0.9803795564511705
Energy: 1.0357589179303315
Energy: 0.9803795564511705
Energy: 0.9309622904258057
Energy: 1.0184858190999309
Energy: 0.925783995756235
Energy: 1.0184858191006914
Energy: 0.9325384548862451
Energy: 1.0144906399825697
Energy: 0.9628866980360566
Energy: 1.014490639981809
Energy: 0.9240571716001945
Energy: 0.9818666921291683
Energy: 0.9369177555263545
Energy: 0.9818666921284076
Energy: 0.9433077366379597
Energy: 1.0180803721626723
Energy: 0.9466201150224597
Energy: 1.0180803721626723
Energy: 0.9252444976193203
Energy: 0.9831850340206892
Energy: 0.9237933572860428
Energy: 0.9831850340199285
Energy: 0.9954955792218405
Energy: 0.978059990293395
Energy: 0.9324933895146942
Energy: 0.978059990293395
Energy: 0.9889452674467187
Energy: 0.9676388739529781
Energy: 0.925661437716316
Energy: 0.9676388739529781
Energy: 0.9674518881218518
Energy: 0.9810329804456437
Energy: 0.9427800543485985
Energy: 0.9810329804464044
Energy: 0.9307410586278432
Energy: 1.0043728062366695
Energy: 0.9544661202631635
Energy: 1.0043728062359085
Energy: 0.9825413209846913
Energy: 1.0004634366404017
Energy: 0.9398093833389817
Energy: 1.0004634366404017
Energy: 0.9355273166635741
Energy: 0.9965753907045197
Energy: 1.1172426407777478
Energy: 0.9965753907045197
Energy: 1.0464826958053068
Energy: 0.9800719476902016
Energy: 0.9443463899100327
Energy: 0.9800719476909621
Energy: 0.9310286064741725
Energy: 0.9527259370301416
Energy: 1.046191587005853
Energy: 0.952725937029381
Energy: 1.1106084723398617
Energy: 0.9974731563125406
Energy: 0.9322611748003486
Energy: 0.9974731563117799
Energy: 0.9363368806831491
Energy: 0.9823656890989826
Energy: 0.9263841247668098
Energy: 0.9823656890989826

minimum gb energy = 0.9237933572860428 eV
minimum distance =  2.28523461653979 Angstroms
sigma value = 1


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

Energy: 1.0577698448594668
Energy: 0.9334926552518444
Energy: 1.0793070192740328
Energy: 0.9334926552518444
Energy: 0.9653109323135994
Energy: 0.9851042570135499
Energy: 0.8868038214463524
Energy: 0.9851042570146017
Energy: 0.8935774433723525
Energy: 0.9351951699417167
Energy: 1.0573047485834794
Energy: 0.9351951699417167
Energy: 0.8974264794066283
Energy: 0.9837850545854101
Energy: 0.9099972429876925
Energy: 0.9837850545843583
Energy: 0.8781453703206175
Energy: 1.0199858696984023
Energy: 1.1067674285064784
Energy: 1.0199858696984023
Energy: 0.8760559903931959
Energy: 0.9382483813150813
Energy: 0.9100141973969932
Energy: 0.9382483813150813
Energy: 0.8928476237528035
Energy: 1.0228686120879444
Energy: 0.9218216429692943
Energy: 1.0228686120889963
Energy: 0.8938485043311215
Energy: 0.9381127719658221
Energy: 0.9241245318977955
Energy: 0.9381127719647704
Energy: 0.9340870417823254
Energy: 0.9363298635423779
Energy: 0.9098718095103
Energy: 0.9363298635423779
Energy: 0.9341346330466211
Energy: 0.9284433493861592
Energy: 0.9242388127732073
Energy: 0.9284433493861592
Energy: 0.8899409231393257
Energy: 0.9381364601969274
Energy: 0.9108608457549199
Energy: 0.9381364601969274
Energy: 0.8938574911299573
Energy: 1.0195230568449087
Energy: 0.9344937127839679
Energy: 1.0195230568449087
Energy: 0.874990081047164
Energy: 0.9386144875966405
Energy: 0.910153763277677
Energy: 0.9386144875966405
Energy: 0.8768763412171303
Energy: 0.9340620067473557
Energy: 1.0780338569033654
Energy: 0.9340620067484076
Energy: 0.9225856911835911
Energy: 0.9865000519193032
Energy: 0.90976982531517
Energy: 0.9865000519193032
Energy: 0.8936023884428186
Energy: 0.9352829645072638
Energy: 1.12004064246489
Energy: 0.9352829645083155
Energy: 1.0413150253826546
Energy: 0.948072522149746
Energy: 0.8872773053723042
Energy: 0.948072522149746
Energy: 1.0577698448594668
Energy: 0.9334926552507926
Energy: 1.0793070193108207
Energy: 0.9334926552518444
Energy: 0.9653109323230654
Energy: 0.9851042570146017
Energy: 0.8868038214474041
Energy: 0.9851042570135499
Energy: 0.8935774433713007
Energy: 0.9351951699417167
Energy: 1.0573047485834794
Energy: 0.9351951699417167
Energy: 0.8974264794076801
Energy: 0.9837850545843583
Energy: 0.9099972429887442
Energy: 0.9837850545843583
Energy: 0.8781453703206175
Energy: 1.0199858696994544
Energy: 1.1067674285064784
Energy: 1.0199858696984023
Energy: 0.8760559903921441
Energy: 0.9382483813150813
Energy: 0.9100141973959414
Energy: 0.9382483813150813
Energy: 0.8928476237528035
Energy: 1.0228686120879444
Energy: 0.9218216429671908
Energy: 1.0228686120879444

minimum gb energy = 0.874990081047164 eV
minimum distance =  2.29411273383041 Angstroms
sigma value = 17


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

Energy: 0.9232450043954358
Energy: 0.9216091637256669
Energy: 1.095047533857187
Energy: 0.9216091637256669
Energy: 1.0426934617135384
Energy: 0.9077496360033641
Energy: 0.8886425639877487
Energy: 0.907749636002714
Energy: 0.8845917245111844
Energy: 0.9109028243478947
Energy: 1.107905383187546
Energy: 0.9109028243459444
Energy: 0.9205664334645647
Energy: 0.8822124890070313
Energy: 0.8796915245861407
Energy: 0.8822124890070313
Energy: 0.877690994956729
Energy: 0.9770662355523204
Energy: 0.8981274690028266
Energy: 0.9770662355516703
Energy: 0.8742816533393836
Energy: 0.8920809593930296
Energy: 0.8965015054315039
Energy: 0.8920809594261834
Energy: 0.8898761099086977
Energy: 0.961540193524297
Energy: 0.913676283442092
Energy: 0.961540193524297
Energy: 0.8754529829188291
Energy: 0.9514131155389542
Energy: 0.8796327616797337
Energy: 0.9514131155383042
Energy: 0.924881790650462
Energy: 1.0732843345043592
Energy: 0.9164615380804044
Energy: 1.0732843345050094
Energy: 0.921934974363674
Energy: 0.9466204412646061
Energy: 0.8875061205110472
Energy: 0.9466204412652561
Energy: 0.8847141293226334
Energy: 0.9257742626526831
Energy: 0.8845341605438986
Energy: 0.9257742626520331
Energy: 0.887313692832912
Energy: 0.9530141387339932
Energy: 0.8787558488295947
Energy: 0.9530141387346432
Energy: 0.8725669291542455
Energy: 0.940084950683499
Energy: 0.8876880734042107
Energy: 0.940084950683499
Energy: 0.884321172192235
Energy: 0.9758127821916539
Energy: 0.9406574564602801
Energy: 0.9758127821916539
Energy: 0.8732753228029937
Energy: 0.885678178430427
Energy: 0.92964486688838
Energy: 0.8856781784317271
Energy: 0.884498725530329
Energy: 0.9123381138775732
Energy: 0.8977511919048757
Energy: 0.9123381138769231
Energy: 0.9026168043776615
Energy: 0.8853886232314402
Energy: 0.8875358356531041
Energy: 0.8853886232437915
Energy: 0.8804808992613463
Energy: 0.9223262410455992
Energy: 0.8900057549395884
Energy: 0.9223262410468994
Energy: 1.0285214513149008
Energy: 0.9553638174929969
Energy: 0.8863722670697284
Energy: 0.955363817493647
Energy: 0.8934580480909471
Energy: 0.9107419983102498
Energy: 0.9311606327091724
Energy: 0.9107419983109
Energy: 0.8838833441173853
Energy: 0.9004750657221486
Energy: 0.8828731829955521
Energy: 0.9004750657234488
Energy: 0.8811195337048449
Energy: 0.9235384333509244
Energy: 1.0372655457072595
Energy: 0.9235384333535247
Energy: 0.9082554840313366
Energy: 0.8899290547344934
Energy: 0.894731331107438
Energy: 0.8899290547351435
Energy: 0.8849210406534997
Energy: 0.9632444119635082
Energy: 1.0435487566907355
Energy: 0.9632444119635082
Energy: 0.9072045672784066
Energy: 0.9227792978950067
Energy: 0.8817936868873633
Energy: 0.9227792978963067
Energy: 0.8798753719922046
Energy: 0.9778993982299292
Energy: 0.9017676934519232
Energy: 0.9778993982292793
Energy: 1.0352651798016976
Energy: 0.9393431324402035
Energy: 0.885498379119241
Energy: 0.9393431324402035
Energy: 0.9332827727739923
Energy: 1.0564846617707324
Energy: 0.87308961561831
Energy: 1.0564846617700823
Energy: 0.9366373208970405
Energy: 0.9756869718791998
Energy: 0.8788194590496761
Energy: 0.9756869718798499
Energy: 0.8796999731909287
Energy: 0.9389016797183825
Energy: 0.9241099335635495
Energy: 0.9389016797242331
Energy: 0.8877693084941758
Energy: 0.9756269254692709
Energy: 0.8907768515304246
Energy: 0.9756269254692709
Energy: 0.8729386279677966
Energy: 1.0534375315103062
Energy: 0.8816954272390392
Energy: 1.0534375315103062
Energy: 0.8858458335130628
Energy: 0.9472569559776064
Energy: 1.0613322700114407
Energy: 0.9472569559763062
Energy: 0.9243965123927391
Energy: 1.0723690297807555
Energy: 0.8947006294443741
Energy: 1.0723690297814055
Energy: 0.881633588386453
Energy: 0.9235181249975831
Energy: 0.9129612002136874
Energy: 0.9235181249982332
Energy: 0.9433772710203141
Energy: 0.9628507856984305
Energy: 0.8880775359201036
Energy: 0.9628507856984305
Energy: 0.8947732261070631
Energy: 0.8920816835651586
Energy: 0.8766488012016218
Energy: 0.8920816835619082
Energy: 0.8976581112973631
Energy: 0.9784585031706813
Energy: 0.8812163883294861
Energy: 0.9784585031719816

minimum gb energy = 0.8725669291542455 eV
minimum distance =  2.28908011160957 Angstroms
sigma value = 89


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

Energy: 0.812809731913491
Energy: 0.8123351627238747
Energy: 1.1687653726873932
Energy: 0.8123351627238747
Energy: 0.8210177118720445
Energy: 0.839763488756834
Energy: 0.8222519609196518
Energy: 0.839763488756834
Energy: 0.820909607293543
Energy: 0.9569535883712826
Energy: 1.3624950640713018
Energy: 0.9569535883712826
Energy: 0.8060261287640411
Energy: 0.8398699926729799
Energy: 0.8223066289930856
Energy: 0.8398699926729799
Energy: 0.821849121867706
Energy: 0.8915891029015869
Energy: 0.8151231220230384
Energy: 0.891589102899886
Energy: 0.8134607002055557
Energy: 0.8137133193335876
Energy: 0.8167730816060043
Energy: 0.8137133193335876
Energy: 0.8212205461787099
Energy: 0.9569741246109587
Energy: 0.8129095432920173
Energy: 0.9569741246109587
Energy: 0.814511160161275
Energy: 0.9561770838833547
Energy: 0.8223276880701018
Energy: 0.9561770838833547
Energy: 0.8237437094417852
Energy: 0.8919045272525997
Energy: 0.8074692642158415
Energy: 0.8919045272525997
Energy: 0.840834625036233
Energy: 0.8883033026091636
Energy: 0.8150828909306826
Energy: 0.8883033026091636
Energy: 0.8120258183549123
Energy: 0.8405405190421432
Energy: 0.8207747526267467
Energy: 0.8405405190404422
Energy: 0.8121850889264746
Energy: 0.9584066825555875
Energy: 0.822117551336183
Energy: 0.9584066825538865
Energy: 0.823111210435761
Energy: 0.8151065884339086
Energy: 0.8075102923444831
Energy: 0.8151065884356095
Energy: 0.8155130091530294
Energy: 0.8898345387615958
Energy: 0.8153191359101952
Energy: 0.8898345387615958
Energy: 0.808278677352768
Energy: 0.8151902149901147
Energy: 0.8229101657215272
Energy: 0.8151902149901147

minimum gb energy = 0.8060261287640411 eV
minimum distance =  2.31450528360022 Angstroms
sigma value = 13


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

Energy: 0.8048522842974387
Energy: 0.7732870980565228
Energy: 1.100002267162541
Energy: 0.7732870980558098
Energy: 0.9472263258455654
Energy: 0.7925422609636993
Energy: 0.7679945566385417
Energy: 0.7925422609636993
Energy: 0.7747642775767384
Energy: 0.7736217669577109
Energy: 1.1453558093281395
Energy: 0.7736217669577109
Energy: 0.7786462563161036
Energy: 0.7925698798639064
Energy: 0.763793226493432
Energy: 0.7925698798639064
Energy: 0.7834930392638999
Energy: 0.8328092734151118
Energy: 0.7789910235110946
Energy: 0.8328092734158247
Energy: 0.7756370085278882
Energy: 0.7934353165550792
Energy: 0.7857909942089679
Energy: 0.7934353165565049
Energy: 0.7832458287670004
Energy: 0.8336854252266828
Energy: 0.8025870066679818
Energy: 0.8336854252273957
Energy: 0.7679305393331528
Energy: 0.7928191339803252
Energy: 0.78582422181191
Energy: 0.7928191339810383
Energy: 0.7835293024195107
Energy: 0.8337721158842643
Energy: 0.9193955503099439
Energy: 0.8337721158842643
Energy: 0.9314217454708211
Energy: 0.8496994722903605
Energy: 0.7641251874672615
Energy: 0.8496994722910733
Energy: 0.7835530372379356
Energy: 0.8510859420283239
Energy: 0.7670397605845376
Energy: 0.8510859420283239
Energy: 1.0415366864297804
Energy: 0.8499416312142855
Energy: 0.7631902646338347
Energy: 0.8499416312142855
Energy: 0.8132687396954594
Energy: 0.788445859157714
Energy: 0.7657403717967224
Energy: 0.788445859157714
Energy: 1.0817877650801053
Energy: 0.8502245099118648
Energy: 0.7634272101228787
Energy: 0.8502245099111517
Energy: 0.7793735164068084
Energy: 0.7735958768701775
Energy: 0.7663988843125072
Energy: 0.7735958768716035
Energy: 0.7954635619907141
Energy: 0.8507928301507669
Energy: 0.7671168451743846
Energy: 0.8507928301507669
Energy: 0.7866970365593755
Energy: 0.8288136086359731
Energy: 0.7676977555340304
Energy: 0.8288136086352603
Energy: 0.7806762712166424
Energy: 0.8314001283178861
Energy: 0.7941370893666786
Energy: 0.8314001283185991
Energy: 0.7867105522368093
Energy: 0.7888511535574062
Energy: 0.794582935861778
Energy: 0.7888511535574062
Energy: 0.7866534162084077
Energy: 0.7888126947144248
Energy: 0.7939789276003761
Energy: 0.7888126947129991
Energy: 0.7808547014823939
Energy: 0.8314612596978666
Energy: 0.7937036138347668
Energy: 0.8314612596985794
Energy: 0.7869830915882923
Energy: 0.8287973425035778
Energy: 0.767727180188937
Energy: 0.8287973425035778
Energy: 0.7948851111021809
Energy: 0.8506795723378728
Energy: 0.7673423872643607
Energy: 0.8506795723371597
Energy: 0.7812832662520817
Energy: 0.7737896968250152
Energy: 0.7689509351992679
Energy: 0.7737896968591704
Energy: 1.0819238135763147
Energy: 0.8502404021701537
Energy: 0.763423275272311
Energy: 0.8502404021701537
Energy: 0.813124775111725
Energy: 0.7883653419526607
Energy: 0.7685726685841953
Energy: 0.7883653419519477
Energy: 1.0417844256527264
Energy: 0.849737738638674
Energy: 0.7632387257983105
Energy: 0.849737738638674
Energy: 0.7834240037126888
Energy: 0.8510723462668233
Energy: 0.7685311921719339
Energy: 0.8510723462661103
Energy: 0.931333691904206
Energy: 0.8498093710641108
Energy: 0.7641294666045769
Energy: 0.8498093710633979
Energy: 0.7833508660410375
Energy: 0.8338227206731779
Energy: 1.030587985811435
Energy: 0.8338227206731779
Energy: 0.770651239681887
Energy: 0.792719859688876
Energy: 0.7858476082903672
Energy: 0.7927198596895891
Energy: 0.7833453467403231
Energy: 0.8339421928619993
Energy: 0.9117847071250089
Energy: 0.8339421928619993
Energy: 0.7755613496707207
Energy: 0.7935101634299052
Energy: 0.7857441441289454
Energy: 0.7935101634299052
Energy: 0.7834871198367042
Energy: 0.83285990862803
Energy: 0.777619786328862
Energy: 0.8328599086287429
Energy: 0.7780777884282347
Energy: 0.7925699976447531
Energy: 0.7639317975341164
Energy: 0.792569997646179

minimum gb energy = 0.7631902646338347 eV
minimum distance =  2.32735764066673 Angstroms
sigma value = 37


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

Energy: 0.8733583851262782
Energy: 0.758828429320704
Energy: 0.7120932254195993
Energy: 0.758828429320704
Energy: 0.851479230649185
Energy: 0.7357449908135351
Energy: 0.7065895914980734
Energy: 0.7357449908135351
Energy: 0.7300701861701072
Energy: 0.8316517886131127
Energy: 1.0000036159422254
Energy: 0.8316517886131127
Energy: 0.8204222973176974
Energy: 0.7359358743672271
Energy: 0.7142044610016017
Energy: 0.7359358743672271
Energy: 0.7118218181621382
Energy: 0.7355374043171528
Energy: 0.7353494262346093
Energy: 0.7355374043171528
Energy: 0.7095097720544665
Energy: 0.7355701946584059
Energy: 0.8318219641491549
Energy: 0.7355701946596325
Energy: 0.7222158395922269
Energy: 0.7797695745460201
Energy: 1.0645826666661202
Energy: 0.7797695745460201
Energy: 0.6959341663549848
Energy: 0.736474547651905
Energy: 0.7392082918649696
Energy: 0.736474547651905
Energy: 0.7069910673251589
Energy: 0.7367620309831827
Energy: 0.9456454357867653
Energy: 0.7367620309819561
Energy: 1.0013448936007416
Energy: 0.8203047478354287
Energy: 0.8318120928439715
Energy: 0.8203047478354287
Energy: 0.7255397628097782
Energy: 0.7978999989197891
Energy: 0.8230448670494016
Energy: 0.7978999989197891
Energy: 1.0032743001621771
Energy: 0.7359494026594888
Energy: 0.7142523335422801
Energy: 0.7359494026594888
Energy: 0.8340083142956569
Energy: 0.7355640627185257
Energy: 0.8137299498217307
Energy: 0.7355640627185257
Energy: 1.065079478859941
Energy: 0.771222878311553
Energy: 0.7009986277146547
Energy: 0.771222878311553
Energy: 0.872770106512388
Energy: 0.7716642699141257
Energy: 0.6972259801072738
Energy: 0.7716642699141257
Energy: 0.8731310231562724
Energy: 0.736109514470992
Energy: 0.7063484181752723
Energy: 0.736109514470992
Energy: 0.8341276533256137
Energy: 0.821196140761641
Energy: 0.6974379663205007
Energy: 0.821196140761641
Energy: 0.8208282902924583
Energy: 0.8813608770594746
Energy: 0.7114936103958753
Energy: 0.8813608770594746
Energy: 0.7117702446659047
Energy: 0.7374273128743415
Energy: 0.7083400553561465
Energy: 0.7374273128743415
Energy: 0.7082941020658304
Energy: 0.7362468270940755
Energy: 0.8312711155285935
Energy: 0.7362468270940755

minimum gb energy = 0.6959341663549848 eV
minimum distance =  2.33109220509804 Angstroms
sigma value = 25


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

Energy: 0.6770081216836878
Energy: 0.6385232294501855
Energy: 1.1093050744983959
Energy: 0.6385232294511433
Energy: 0.8348765012518135
Energy: 0.6545965175226219
Energy: 0.6421453202376648
Energy: 0.6545965175226219
Energy: 0.6362858991304716
Energy: 0.6358264939203923
Energy: 0.87282432667621
Energy: 0.6358264939203923
Energy: 0.6394776907638894
Energy: 0.6550596599621987
Energy: 0.6416863030569981
Energy: 0.6550596599574098
Energy: 0.6412664998512058
Energy: 0.6548246967662293
Energy: 0.619179989074599
Energy: 0.6548246967671871
Energy: 0.6156516438274886
Energy: 0.655369565995991
Energy: 0.6419070671258111
Energy: 0.6553695659988644
Energy: 0.6414423191301946
Energy: 0.6360786779965741
Energy: 0.6396821197337017
Energy: 0.6360786779965741
Energy: 0.6129823578538666
Energy: 0.6763917474212616
Energy: 0.6373947785423725
Energy: 0.676391747420304
Energy: 0.6412675257642816
Energy: 0.6547622655392666
Energy: 0.8355523536237641
Energy: 0.6547622655392666
Energy: 0.6157912737260447
Energy: 0.6383119142116606
Energy: 0.678229261877362
Energy: 0.6383119142116606
Energy: 0.6414618140396069
Energy: 0.6362517014112677
Energy: 1.0159386645601471
Energy: 0.6362517014112677
Energy: 0.8667977922110036
Energy: 0.74899886765624
Energy: 0.6374776700592436
Energy: 0.7489988676571978
Energy: 0.6409668431037139
Energy: 0.6548397435124546
Energy: 0.816133422643747
Energy: 0.6548397435124546
Energy: 0.8561811662656318
Energy: 0.7029896675408634
Energy: 0.6411611031868225
Energy: 0.7029896675351603
Energy: 0.641631614785906
Energy: 0.6361036150573889
Energy: 0.6161270619100518
Energy: 0.6361036150583467
Energy: 0.8482964801667795
Energy: 0.7481795012156427
Energy: 0.6448863700490927
Energy: 0.7481795012156427
Energy: 0.6413835672471928
Energy: 0.6763571131931633
Energy: 0.6129415165880027
Energy: 0.6763571131931633
Energy: 0.8440639120271066
Energy: 0.6546522551370977
Energy: 0.6417958848388552
Energy: 0.6546522551370977
Energy: 0.6812546903040727
Energy: 0.6359000407901702
Energy: 0.6168962960064693
Energy: 0.6359000407901702
Energy: 1.0120554398213173
Energy: 0.7456127882764527
Energy: 0.6446359500545484
Energy: 0.745612788275495
Energy: 0.6409607990067822
Energy: 0.7442202071193319
Energy: 0.6233579913534543
Energy: 0.7442202071174162
Energy: 0.6359318862259614
Energy: 0.6549284526630025
Energy: 0.6396453664985279
Energy: 0.6549284526630025
Energy: 0.6414708953413756
Energy: 0.7026827599572042
Energy: 0.861495215247375
Energy: 0.7026827599476263
Energy: 0.6185999934635135
Energy: 0.746044383868696
Energy: 0.6443948972691338
Energy: 0.746044383868696
Energy: 0.6397509534956057
Energy: 0.7444949618462237
Energy: 0.8494752168090567
Energy: 0.7444949618471816
Energy: 0.6154881924049102
Energy: 0.6765126591440742
Energy: 0.6422466091101756
Energy: 0.6765126591440742

minimum gb energy = 0.6129415165880027 eV
minimum distance =  2.33442866999715 Angstroms
sigma value = 41


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

Energy: 0.8973026203340049
Energy: 0.5926325906941639
Energy: 0.5583188437060133
Energy: 0.5926325906941639
Energy: 0.904078278918165
Energy: 0.5790737174913544
Energy: 0.5713970506387299
Energy: 0.579073717489784
Energy: 0.5913201416855342
Energy: 0.5690241299378969
Energy: 0.5556654310151063
Energy: 0.569024129938682
Energy: 0.7422109966259786
Energy: 0.5794878758856008
Energy: 0.5713539245081511
Energy: 0.5794878758863861
Energy: 0.567733529788829
Energy: 0.6083665994817163
Energy: 0.5611003450552384
Energy: 0.6083665994817163
Energy: 0.5778297516710693
Energy: 0.5797716554301792
Energy: 0.5713295566571102
Energy: 0.579771655429394
Energy: 0.5706579131480459
Energy: 0.579355806515977
Energy: 0.5769375011944063
Energy: 0.5793558065167622
Energy: 0.5567292455454569
Energy: 0.5919276228105553
Energy: 0.5687240258435974
Energy: 0.5919276228113405
Energy: 0.573546634357656
Energy: 0.5925092122537686
Energy: 0.7414724390450235
Energy: 0.5925092122553391
Energy: 0.5550790272003482
Energy: 0.5695169416602728
Energy: 0.5921948896223926
Energy: 0.5695169416594876
Energy: 0.5706897301624416
Energy: 0.5792154234182836
Energy: 1.028628171209447
Energy: 0.5792154234182836
Energy: 0.556637470664258
Energy: 0.5929767834149524
Energy: 0.897495637424609
Energy: 0.5929767834157376
Energy: 0.5734397716991999
Energy: 0.5951205073978703
Energy: 1.0273963128447663
Energy: 0.5951205073947293
Energy: 0.7691819279537254
Energy: 0.6488899411582426
Energy: 0.5924059515246984
Energy: 0.6488899411574572
Energy: 0.5706656991762391
Energy: 0.5791952596912999
Energy: 0.8931387151886987
Energy: 0.5791952596920852
Energy: 0.7716212478607888
Energy: 0.5936724719563191
Energy: 0.5686052225490013
Energy: 0.5936724719563191
Energy: 0.5734417284657365
Energy: 0.5925918077259895
Energy: 0.7305641026657947
Energy: 0.5925918077047884
Energy: 0.7568642343210608
Energy: 0.6489067313408368
Energy: 0.5712880486959926
Energy: 0.6489067313424071
Energy: 0.5707715139602315
Energy: 0.592069272063248
Energy: 0.5568303615494375
Energy: 0.592069272063248
Energy: 0.7589897949291401
Energy: 0.5938963047926804
Energy: 0.5763343575879024
Energy: 0.5938963047926804
Energy: 0.5944703156193263
Energy: 0.592860826031542
Energy: 0.5701632951332944
Energy: 0.5928608260307567
Energy: 1.0259773377050159
Energy: 0.661763522993776
Energy: 0.5714783779772971
Energy: 0.661763522993776
Energy: 0.8982252360410885
Energy: 0.5918933044886819
Energy: 0.5566013936278683
Energy: 0.5918933044917872
Energy: 0.9103731725427612
Energy: 0.5928973621926286
Energy: 0.5766383931637894
Energy: 0.5928973621957695
Energy: 0.59448362877581
Energy: 0.6500108666948763
Energy: 0.5551941627758139
Energy: 0.6500108666964468
Energy: 0.8925787911438575
Energy: 0.6071841935433798
Energy: 0.5714901516251852
Energy: 0.6071841935433798
Energy: 0.5706853520819947
Energy: 0.5922849424057606
Energy: 0.7694828078866748
Energy: 0.5922849424065458
Energy: 0.5721517601575675
Energy: 0.5920947745377336
Energy: 0.576650875008278
Energy: 0.5920947745369484
Energy: 0.5734981787520207
Energy: 0.6503837702428064
Energy: 0.7616546631955113
Energy: 0.6503837702412361
Energy: 0.5653141301658936
Energy: 0.6266966155434419
Energy: 0.5739042706715611
Energy: 0.6266966155434419
Energy: 0.5754832900285115
Energy: 0.5922073806051966
Energy: 0.766277803582395
Energy: 0.5922073806059819
Energy: 0.5564225374323527
Energy: 0.5923409595742105
Energy: 0.5978292985856754
Energy: 0.5923409595726401

minimum gb energy = 0.5550790272003482 eV
minimum distance =  2.33113354636044 Angstroms
sigma value = 15


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

Energy: 0.8090547835849585
Energy: 0.5361562147039213
Energy: 0.9608841576021101
Energy: 0.5361562147045865
Energy: 0.9262314103322984
Energy: 0.5331568284761948
Energy: 0.5346409880385106
Energy: 0.5331568284722037
Energy: 0.553995334723788
Energy: 0.5330942973806143
Energy: 1.047944256370849
Energy: 0.5330942973799492
Energy: 0.8101402795017935
Energy: 0.5343056443292328
Energy: 0.5345721753001718
Energy: 0.5343056443312284
Energy: 0.5323335918438962
Energy: 0.5370705217822788
Energy: 0.792689269698286
Energy: 0.5370705217809484
Energy: 0.8055810140022758
Energy: 0.5334659521537279
Energy: 0.5346203050342644
Energy: 0.5334659521543932
Energy: 0.5341929329560897
Energy: 0.5450939998131218
Energy: 0.5290275386098926
Energy: 0.5450939996914517
Energy: 0.6666433266865185
Energy: 0.543435344793129
Energy: 0.5346362749974014
Energy: 0.543435344793129
Energy: 0.5360203835161547
Energy: 0.5449446677222284
Energy: 0.6689493258056222
Energy: 0.5449446677142461
Energy: 0.5265794917889246
Energy: 0.5332433409108346
Energy: 0.5328801892269823
Energy: 0.5332433408776354
Energy: 0.5341200615978239
Energy: 0.5337503294969701
Energy: 0.8100642327230804
Energy: 0.533750329496305
Energy: 0.5103173564646837
Energy: 0.5333445640058443
Energy: 0.5543252353777051
Energy: 0.5333445639799622
Energy: 0.5360655315873267
Energy: 0.5450731919575253
Energy: 1.0336222728579825
Energy: 0.5450731919628469
Energy: 0.5265800299240364
Energy: 0.5363813568291088
Energy: 0.8092882515539309
Energy: 0.536381356819796
Energy: 0.5342306177424705
Energy: 0.533727761974359
Energy: 1.03641460663267
Energy: 0.5337277619763545
Energy: 0.6951500651062178
Energy: 0.5332442298351553
Energy: 0.5544024468793022
Energy: 0.5332442298364857
Energy: 0.5360726094316233
Energy: 0.5440966020967578
Energy: 0.9182604824887185
Energy: 0.5440966021014142
Energy: 0.699063551094856
Energy: 0.581178201986031
Energy: 0.5328719425898425
Energy: 0.5811782019847005
Energy: 0.5342523390318838
Energy: 0.5328427353027703
Energy: 0.8029398226388096
Energy: 0.5328427353027703
Energy: 0.6896236639490457
Energy: 0.5338380828087451
Energy: 0.5346259235237784
Energy: 0.5338380828094103
Energy: 0.5360244449446515
Energy: 0.5544686621105439
Energy: 0.6652606670244563
Energy: 0.5544686621191914
Energy: 0.6977416043163657
Energy: 0.543814712753111
Energy: 0.5380958369548368
Energy: 0.5438147127557719
Energy: 0.5342670097657377
Energy: 0.5329079708875708
Energy: 0.5245892893744176
Energy: 0.5329079708869056
Energy: 0.953940878504929
Energy: 0.5342279563220222
Energy: 0.5347216671250071
Energy: 0.5342279563286741
Energy: 0.5558699409493375
Energy: 0.554014141590751
Energy: 0.526989354193805
Energy: 0.5540141415920814
Energy: 0.9316226364918183
Energy: 0.5431261880827273
Energy: 0.5378305827050722
Energy: 0.543126188082062
Energy: 0.8104639318013158
Energy: 0.533170745153751
Energy: 0.5239797239676081
Energy: 0.533170745153751
Energy: 1.0339439804011066
Energy: 0.5349706329757081
Energy: 0.5347676085851563
Energy: 0.534970632978369
Energy: 0.5558080594990276
Energy: 0.6025902784114342
Energy: 0.5252784926407664
Energy: 0.602590278398856
Energy: 0.8145346848528892
Energy: 0.5437135362362551
Energy: 0.5382345793276757
Energy: 0.5437135362355899
Energy: 0.5341379430868068
Energy: 0.5808414893122803
Energy: 0.6969146365607344
Energy: 0.5808414893109499
Energy: 0.8031287993201985
Energy: 0.5325561495737464
Energy: 0.5346635350303321
Energy: 0.5325561495744117
Energy: 0.5360408438750711
Energy: 0.6077121281419154
Energy: 0.6847753358715558
Energy: 0.6077121281432458
Energy: 0.5313652368429483
Energy: 0.554021700264543
Energy: 0.5380171717666357
Energy: 0.5540217002638779
Energy: 0.5296282097116716
Energy: 0.5811051838054804
Energy: 0.6961543780572421
Energy: 0.5811051838121323
Energy: 0.5249087052332648
Energy: 0.5322795338406536
Energy: 0.5365862680697726
Energy: 0.5322795339184813
Energy: 0.5358979936958049
Energy: 0.6078596837160067
Energy: 0.9510940797065829
Energy: 0.6078596837180023

minimum gb energy = 0.5103173564646837 eV
minimum distance =  2.33067861520414 Angstroms
sigma value = 85


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

Energy: 0.8205814883065085
Energy: 0.5316614021410686
Energy: 0.6123186136755037
Energy: 0.5316614021422225
Energy: 0.9926630965230558
Energy: 0.5217867526285364
Energy: 0.4894395803561541
Energy: 0.5217867526279595
Energy: 0.7907078002002006
Energy: 0.5273598704674163
Energy: 0.4868120249521097
Energy: 0.5273598704668393
Energy: 0.968324600248456
Energy: 0.5181748428018209
Energy: 0.4893808544359226
Energy: 0.5181748428018209
Energy: 0.5768481833129063
Energy: 0.49618432441405824
Energy: 0.48980710514683473
Energy: 0.49618432441405824
Energy: 0.8633947927525064
Energy: 0.5264877838889558
Energy: 0.48926388419840366
Energy: 0.5264877838883788
Energy: 0.5472095946264373
Energy: 0.5346474446144404
Energy: 0.5512383602457326
Energy: 0.5346474446144404
Energy: 0.7573389801415746
Energy: 0.5165717438227515
Energy: 0.49706738486606505
Energy: 0.5165717438244822
Energy: 0.49614191308687655
Energy: 0.5021120454709043
Energy: 0.6738548107124713
Energy: 0.5021120454703273
Energy: 0.6422594371872337
Energy: 0.5286886231299723
Energy: 0.5476207739851366
Energy: 0.5286886231293955
Energy: 0.4905819347323062
Energy: 0.5172045102037799
Energy: 0.7878240730199458
Energy: 0.5172045102037799
Energy: 0.5179879908804869
Energy: 0.5229368798402511
Energy: 0.5772279864456495
Energy: 0.5229368798402511
Energy: 0.4889608804589802
Energy: 0.5010290774241755
Energy: 0.8904557084716185
Energy: 0.5010290774241755
Energy: 0.46256250835433566
Energy: 0.5275566411034642
Energy: 0.7909931223912945
Energy: 0.5275566411069257
Energy: 0.49073218212983555
Energy: 0.5173455389004095
Energy: 1.0713944268563282
Energy: 0.5173455389004095
Energy: 0.45578346430171957
Energy: 0.5205348548255285
Energy: 0.7572386795985656
Energy: 0.5205348548255285
Energy: 0.4889749322473617
Energy: 0.5023361206989133
Energy: 1.019255377702813
Energy: 0.5023361206989133
Energy: 0.6051761355713791
Energy: 0.5275055210780636
Energy: 0.7909188948787105
Energy: 0.5275055210763329
Energy: 0.4904613245705146
Energy: 0.5180984748978646
Energy: 0.9679079193260866
Energy: 0.5180984748978646
Energy: 0.6111193264765701
Energy: 0.5205584675613557
Energy: 0.5771266177745057
Energy: 0.5205584675573435
Energy: 0.48985093126255874
Energy: 0.5093314199072266
Energy: 0.8631927095902839
Energy: 0.5093314199072266
Energy: 0.6654969496569634
Energy: 0.5173299998603959
Energy: 0.5476956709069782
Energy: 0.5173299998609727
Energy: 0.49740850628391875
Energy: 0.5163980289883195
Energy: 0.7573752435475589
Energy: 0.5163980289883195
Energy: 0.6745594323726322
Energy: 0.5361698208465315
Energy: 0.4971610104248204
Energy: 0.5361698208465315
Energy: 0.5490661642545457
Energy: 0.5182933609766048
Energy: 0.641804358488522
Energy: 0.5182933609766048
Energy: 0.8975255136649972
Energy: 0.5174465861467171
Energy: 0.4912616812549787
Energy: 0.5174465861461403
Energy: 0.5787358971428982
Energy: 0.516407126754501
Energy: 0.5179901515561379
Energy: 0.516407126753924
Energy: 0.9084172392104863
Energy: 0.5394766822560481
Energy: 0.4893870415393817
Energy: 0.5394766822554712
Energy: 0.7912588892218285
Energy: 0.5288048389112526
Energy: 0.5173356869753938
Energy: 0.528804838900291
Energy: 1.071391542100428
Energy: 0.5173616789885729
Energy: 0.49055449423531566
Energy: 0.5173616789891498
Energy: 0.8214960089640119
Energy: 0.5261459415596602
Energy: 0.4559077605223986
Energy: 0.5261459415567756
Energy: 0.9876365555574406
Energy: 0.5339297798590922
Energy: 0.4894292382025782
Energy: 0.5339297798585152
Energy: 0.7913760162633943
Energy: 0.5286389945382204
Energy: 0.45752151161183835
Energy: 0.5286389945341821
Energy: 0.9679888775674659
Energy: 0.5180111027668726
Energy: 0.4911427852191898
Energy: 0.5180111027668726
Energy: 0.5785091017307662
Energy: 0.5162457583466308
Energy: 0.6106303388494421
Energy: 0.5162457583460538
Energy: 0.7727481045552533
Energy: 0.5434898376864467
Energy: 0.4912246285430093
Energy: 0.5434898376858697
Energy: 0.5491387266255886
Energy: 0.5175752267190824
Energy: 0.6655160572499885
Energy: 0.5175752267185055
Energy: 0.7573235600940912
Energy: 0.5164040502288721
Energy: 0.4987216522016304
Energy: 0.5164040502282952
Energy: 0.4973822481197015
Energy: 0.5164711245948755
Energy: 0.6743763091666574
Energy: 0.5164711245954524
Energy: 0.5292408489478455
Energy: 0.5521324607699516
Energy: 0.5512647854206991
Energy: 0.5521324607687977
Energy: 0.49164233848638317
Energy: 0.5175691599396678
Energy: 0.89761102747477
Energy: 0.5175691599408216
Energy: 0.5179740370350934
Energy: 0.5162329193073707
Energy: 0.5808065141720659
Energy: 0.5162329193096784
Energy: 0.4905279296275085
Energy: 0.5165312679316951
Energy: 0.9085307067585191
Energy: 0.5165312679322721

minimum gb energy = 0.45578346430171957 eV
minimum distance =  2.33933224150653 Angstroms
sigma value = 113


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

Energy: 0.015486332620399739
Energy: 0.016394195509076396
Energy: 0.6448273061017553
Energy: 0.016394195509495262
Energy: 0.644330800234164
Energy: 0.2514994579114614
Energy: 0.25149796558143395
Energy: 0.2514994579114614
Energy: 0.015486332620399739
Energy: 0.016394195509076396
Energy: 0.6448273061008685
Energy: 0.016394195509076396
Energy: 0.644330800234164
Energy: 0.2514994579118802
Energy: 0.2514979665064217
Energy: 0.2514994579114614
Energy: 0.015486332620399739
Energy: 0.016394195509076396
Energy: 0.6448273061021744
Energy: 0.016394195509495262
Energy: 0.644330800234164
Energy: 0.2514994579114614
Energy: 0.25149796540457237
Energy: 0.2514994579114614

minimum gb energy = 0.015486332620399739 eV
minimum distance =  2.54314107412732 Angstroms
sigma value = 1