Model name: model_name=EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.045259781181812
cohesive_energy=3.410925190644327
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010529798439634367
Energy: 0.011342954834469067
Energy: 0.45599371022059837
Energy: 0.011342954834969955
Energy: 0.011342954834469067
Energy: 0.4493064607773941
Energy: 0.011342954834469067
Energy: 0.4493064607773941
Energy: 0.4559937102210714
Energy: 0.011342954834469067
Energy: 0.010529798439634367
Energy: 0.011342954834969955
Energy: 0.011342954834969955
Energy: 0.4493064607773941
Energy: 0.011342954834969955
Energy: 0.4493064607773941

minimum gb energy = 0.010529798439634367 eV
minimum distance =  2.80378542987962 Angstroms
sigma value = 1


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

Energy: 0.5085473979535164
Energy: 0.5468588781644276
Energy: 0.5644387872252612
Energy: 0.5468588781656424
Energy: 0.529233363678801
Energy: 0.5374100505111052
Energy: 0.5171957894824735
Energy: 0.5374100505117128
Energy: 0.49572988986977967
Energy: 0.5419812451358201
Energy: 0.501976256378996
Energy: 0.5419812451346052
Energy: 0.4974768500839232
Energy: 0.5175027929119296
Energy: 0.501257082829746
Energy: 0.5175027929131445
Energy: 0.4970620938717361
Energy: 0.550386130537337
Energy: 0.5148610797911909
Energy: 0.5503861305367296
Energy: 0.5017957317400437
Energy: 0.528788851903124
Energy: 0.4761985013137174
Energy: 0.528788851903124
Energy: 0.5255503834188134
Energy: 0.5568450998395663
Energy: 0.5038919947374262
Energy: 0.5568450998395663
Energy: 0.48288939027519545
Energy: 0.5508675857921048
Energy: 0.4760120077949186
Energy: 0.5508675857933196
Energy: 0.502231946556235
Energy: 0.520602823988432
Energy: 0.5217727724613831
Energy: 0.5206028239878246
Energy: 0.4714593886670183
Energy: 0.5414270464060386
Energy: 0.4846631498351912
Energy: 0.5414270464060386
Energy: 0.524837232611157
Energy: 0.5410966359813314
Energy: 0.5021722167530118
Energy: 0.541096635980724
Energy: 0.5109326708078084
Energy: 0.5506940892885245
Energy: 0.47679963609264986
Energy: 0.5506940892885245
Energy: 0.5148428435175244
Energy: 0.5419012407887237
Energy: 0.5253154816351643
Energy: 0.5419012407856864
Energy: 0.5056513931705783
Energy: 0.5303690345941731
Energy: 0.48959129207929664
Energy: 0.5303690345947805
Energy: 0.5205552918321962
Energy: 0.5475494608971709
Energy: 0.5204800779645551
Energy: 0.5475494608989934
Energy: 0.5202589388119002
Energy: 0.5488470535816519
Energy: 0.5340971479999658
Energy: 0.5488470535816519
Energy: 0.502215972994293
Energy: 0.5419253285786662
Energy: 0.48706539131719634
Energy: 0.5419253285774512
Energy: 0.5166645244320324
Energy: 0.5552878426695389
Energy: 0.5268482837515178
Energy: 0.5552878426695389
Energy: 0.4898927235543637
Energy: 0.5492565740073843
Energy: 0.47635297296842555
Energy: 0.5492565740085992
Energy: 0.527629320985878
Energy: 0.5108756579470393
Energy: 0.5023349252037327
Energy: 0.5108756579458243
Energy: 0.47376427330888643
Energy: 0.5419532931423738
Energy: 0.4835819073012208
Energy: 0.5419532931423738
Energy: 0.501342405259544
Energy: 0.5176913554592826
Energy: 0.520549415138784
Energy: 0.5176913554562452
Energy: 0.5469181271228153
Energy: 0.5503100789878783
Energy: 0.4957861882691103
Energy: 0.5503100789866633
Energy: 0.5056949164533397
Energy: 0.542144497966914
Energy: 0.5013456865844172
Energy: 0.5421444979681289
Energy: 0.5038958978952591
Energy: 0.5294969652463839
Energy: 0.5237109410928362
Energy: 0.529496965243954
Energy: 0.5007392421057832
Energy: 0.5507218462213904
Energy: 0.4953139117897038
Energy: 0.550721846220783
Energy: 0.5131574676012235
Energy: 0.5278686140305205
Energy: 0.5018924566144323
Energy: 0.527868614028698
Energy: 0.4950501114628505
Energy: 0.5403092594326229
Energy: 0.5003860281375231
Energy: 0.5403092594338379
Energy: 0.5295696915826328
Energy: 0.5362447298805891
Energy: 0.5289423507782485
Energy: 0.5362447298799816
Energy: 0.5092563979994977
Energy: 0.5474618194495533
Energy: 0.5109703536641785
Energy: 0.5474618194495533
Energy: 0.5265047840542775
Energy: 0.5466779077634533
Energy: 0.5152774721377488
Energy: 0.5466779077640609
Energy: 0.5052285051730238
Energy: 0.5441161171639671
Energy: 0.5059016009731822
Energy: 0.5441161171633595
Energy: 0.4970602742285953
Energy: 0.5414296527432998
Energy: 0.5014794568443715
Energy: 0.5414296527439074

minimum gb energy = 0.4714593886670183 eV
minimum distance =  2.46636680514991 Angstroms
sigma value = 1


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

Energy: 0.5342681541581732
Energy: 0.5800832406808609
Energy: 0.5947449573281349
Energy: 0.5800832406877557
Energy: 0.5287782209804347
Energy: 0.5676701864132123
Energy: 0.5494810125470363
Energy: 0.5676701864145977
Energy: 0.529445158601519
Energy: 0.5791405555044735
Energy: 0.5316712086139327
Energy: 0.5791405555030883
Energy: 0.4896658260643887
Energy: 0.514121261324933
Energy: 0.5198525882112107
Energy: 0.5141212613235477
Energy: 0.4898524829964743
Energy: 0.5650563112486812
Energy: 0.526629841758235
Energy: 0.5650563112424476
Energy: 0.5268645136292529
Energy: 0.5690255783662393
Energy: 0.5368249267781927
Energy: 0.5690255783717802
Energy: 0.5291272279069488
Energy: 0.5145176902892226
Energy: 0.5198252752021334
Energy: 0.5145176902871446
Energy: 0.4985240469281088
Energy: 0.580024111535754
Energy: 0.4927465046597717
Energy: 0.5800241115371392
Energy: 0.4986797425362376
Energy: 0.5410290155779341
Energy: 0.5601016168008157
Energy: 0.5410290155779341
Energy: 0.4895506402122649
Energy: 0.5801285655198596
Energy: 0.511604343366612
Energy: 0.5801285655212448
Energy: 0.5297603923317353
Energy: 0.5297628265762535
Energy: 0.5494953667475074
Energy: 0.5297628265866428
Energy: 0.49689407646863426
Energy: 0.5743510480169176
Energy: 0.5242174899220219
Energy: 0.5743510480155324
Energy: 0.5344663468905522
Energy: 0.5672017602630817
Energy: 0.5305604514432873
Energy: 0.5672017602644669
Energy: 0.5344758180779539
Energy: 0.567076266055338
Energy: 0.5271493983193835
Energy: 0.5670762660546455
Energy: 0.49688124448164994
Energy: 0.5743771294170571
Energy: 0.5316142443053601
Energy: 0.5743771294163645
Energy: 0.5297264777057868
Energy: 0.5297471135429666
Energy: 0.5494281869496747
Energy: 0.5297471135401962
Energy: 0.48949244584969115
Energy: 0.5800901817949463
Energy: 0.5076715106886027
Energy: 0.5800901817977168
Energy: 0.4989683718626264
Energy: 0.5408569958105229
Energy: 0.5601787182412276
Energy: 0.5408569958063671
Energy: 0.4985316309227399
Energy: 0.580063261044357
Energy: 0.4927441851373345
Energy: 0.5800632610478201
Energy: 0.5295976667843598
Energy: 0.514580354527568
Energy: 0.51852094393685
Energy: 0.5145803545282607
Energy: 0.527015976292292
Energy: 0.5690551233456003
Energy: 0.49274901223700646
Energy: 0.5690551233421373
Energy: 0.48986784683114715
Energy: 0.5687082740735392
Energy: 0.5298738948534424
Energy: 0.5687082740756172
Energy: 0.4896397234364843
Energy: 0.5151223889347415
Energy: 0.5198522435237073
Energy: 0.5151223889402825
Energy: 0.529444696673309
Energy: 0.5364970848934033
Energy: 0.5316938901811111
Energy: 0.5364970848885549
Energy: 0.5303858378755035
Energy: 0.5673479232996729
Energy: 0.5494236463643664
Energy: 0.5673479232962096
Energy: 0.5342681541574806
Energy: 0.5800832406808609
Energy: 0.5730003959935791
Energy: 0.5800832406870631
Energy: 0.5287782209811275
Energy: 0.5676701864132123
Energy: 0.5494810125470363
Energy: 0.5676701864139051
Energy: 0.5294451586008264
Energy: 0.5791405555044735
Energy: 0.5316712086146251
Energy: 0.5791405555017031
Energy: 0.48966582606508136
Energy: 0.514121261324933
Energy: 0.5075640097485083
Energy: 0.5141212613235477

minimum gb energy = 0.48949244584969115 eV
minimum distance =  2.46121682182416 Angstroms
sigma value = 25


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

Energy: 0.525752162544915
Energy: 0.6012393323411889
Energy: 0.6298603993682153
Energy: 0.6012393323403836
Energy: 0.5539886617826544
Energy: 0.571417526755027
Energy: 0.5117764211069035
Energy: 0.5714175267542402
Energy: 0.5500595585684482
Energy: 0.6215509239851467
Energy: 0.5168346151611101
Energy: 0.6215509239843414
Energy: 0.5110185071551832
Energy: 0.5245419415677152
Energy: 0.5218386437179772
Energy: 0.5245419415677152
Energy: 0.5210155310930056
Energy: 0.6016523631007994
Energy: 0.5515956174723555
Energy: 0.6016523631016045
Energy: 0.5556432056398531
Energy: 0.6111569075554754
Energy: 0.5547613850980221
Energy: 0.6111569075554754
Energy: 0.5559370162144807
Energy: 0.5157802455822477
Energy: 0.5338899380589389
Energy: 0.5157802455814425
Energy: 0.593142461367811
Energy: 0.6031719491519798
Energy: 0.514296979713533
Energy: 0.6031719491511747
Energy: 0.5336962265687334
Energy: 0.5631846720273038
Energy: 0.5559191526185764
Energy: 0.5631846720289142
Energy: 0.5128580163829191
Energy: 0.6108603138712049
Energy: 0.5140976582800557
Energy: 0.6108603138712049
Energy: 0.5515656904259767
Energy: 0.6021969169317177
Energy: 0.5616138214924252
Energy: 0.6021969169325229
Energy: 0.5517022365970887
Energy: 0.6014258654179779
Energy: 0.5850398942971313
Energy: 0.6014258654195882
Energy: 0.5167317094025206
Energy: 0.5701935732213168
Energy: 0.5154865407806503
Energy: 0.5701935732213168
Energy: 0.5351950508353157
Energy: 0.5592245250733577
Energy: 0.5549812334924417
Energy: 0.559224525074968
Energy: 0.5223831022679006
Energy: 0.6041551557047102
Energy: 0.5130506914967725
Energy: 0.6041551557055155
Energy: 0.5547691417050334
Energy: 0.5166681332745507
Energy: 0.5196546886362021
Energy: 0.5166681332745507
Energy: 0.5120541456159643
Energy: 0.6219698430342355
Energy: 0.5120302743555069
Energy: 0.6219698430342355
Energy: 0.5225097750621975
Energy: 0.6013650709863995
Energy: 0.5517902356712259
Energy: 0.6013650709880097
Energy: 0.5110481918442915
Energy: 0.5622446951067049
Energy: 0.5194215520702032
Energy: 0.5622446951058998
Energy: 0.5543404850417989
Energy: 0.6113779406966109
Energy: 0.5118456524882535
Energy: 0.611377940698221
Energy: 0.524891985673033
Energy: 0.5617785206074969
Energy: 0.5120842701200803
Energy: 0.5617785206058866
Energy: 0.5277049485633146
Energy: 0.6023996144975551
Energy: 0.5573216804605096
Energy: 0.6023996144967498
Energy: 0.5558737476647405
Energy: 0.5809808131155255
Energy: 0.5118947639052578
Energy: 0.5809808131171358
Energy: 0.5495600790307357
Energy: 0.620814455933091
Energy: 0.5127575972112596
Energy: 0.620814455933091
Energy: 0.5611300918223844
Energy: 0.5266820198735742
Energy: 0.5210062947304066
Energy: 0.5266820198735742

minimum gb energy = 0.5110185071551832 eV
minimum distance =  2.50946446989744 Angstroms
sigma value = 9


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

Energy: 0.5770199888723828
Energy: 0.5774206070931116
Energy: 0.640066721908907
Energy: 0.5774206070950327
Energy: 0.5735737075694672
Energy: 0.587696740606546
Energy: 0.5549240632922533
Energy: 0.587696740606546
Energy: 0.5699065771397396
Energy: 0.5467318916464489
Energy: 0.5703891000864566
Energy: 0.546731891644528
Energy: 0.5734371744006701
Energy: 0.6040821276146074
Energy: 0.5552842900824316
Energy: 0.6040821276155679
Energy: 0.5636607999706458
Energy: 0.577466208775844
Energy: 0.5577876152945482
Energy: 0.5774662087777649
Energy: 0.5279575528208373
Energy: 0.5466552498050731
Energy: 0.5536858306314082
Energy: 0.5466552498041125
Energy: 0.5595308949720734
Energy: 0.5315351174943632
Energy: 0.5315649260709111
Energy: 0.5315351174943632
Energy: 0.5545324881427761
Energy: 0.5467331252871891
Energy: 0.5411917932550979
Energy: 0.5467331252852681
Energy: 0.542880735741374
Energy: 0.5782054731000579
Energy: 0.5864767092660399
Energy: 0.5782054730971764
Energy: 0.542590246356851
Energy: 0.5771713162254274
Energy: 0.5320381441861304
Energy: 0.5771713162273485
Energy: 0.5564538161378962
Energy: 0.5769589410475424
Energy: 0.5584474718612251
Energy: 0.5769589410485029
Energy: 0.5598923590832338
Energy: 0.5838266996505005
Energy: 0.5548584068337318
Energy: 0.5838266996505005
Energy: 0.5277378749792978
Energy: 0.5515730450327566
Energy: 0.5392458513288938
Energy: 0.5515730450337171
Energy: 0.5569240642629092
Energy: 0.5675386616122061
Energy: 0.5570178251810541
Energy: 0.5675386616112457
Energy: 0.5277342615806535
Energy: 0.5466014327322024
Energy: 0.5552224226178866
Energy: 0.5466014327322024
Energy: 0.5600559252097471
Energy: 0.5830790562933126
Energy: 0.531931318760041
Energy: 0.583079056294273
Energy: 0.5616214033253261
Energy: 0.577879480506772
Energy: 0.5704214959913704
Energy: 0.5778794805096533
Energy: 0.5815155149105687
Energy: 0.5774075966298295
Energy: 0.5777609719262805
Energy: 0.5774075966307901
Energy: 0.5993384113066056
Energy: 0.5929813006157928
Energy: 0.5556309084097286
Energy: 0.5929813006129112
Energy: 0.5748458145712904
Energy: 0.5469118779969077
Energy: 0.5412709431424552
Energy: 0.5469118779959473
Energy: 0.559585906651273
Energy: 0.5551803248858335
Energy: 0.5547765878097212
Energy: 0.5551803248839123

minimum gb energy = 0.5277342615806535 eV
minimum distance =  2.55685159537454 Angstroms
sigma value = 25


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

Energy: 0.5412337776877107
Energy: 0.6559677645779451
Energy: 0.7021747500923433
Energy: 0.6559677645779451
Energy: 0.5303463991140551
Energy: 0.5976455328216516
Energy: 0.5245436812167988
Energy: 0.5976455328216516
Energy: 0.5235491044820944
Energy: 0.6337059412334949
Energy: 0.522892693839162
Energy: 0.6337059412323071
Energy: 0.5425845446068311
Energy: 0.6328921018522515
Energy: 0.5896393663383838
Energy: 0.6328921018522515
Energy: 0.5870971470385725
Energy: 0.5304233942948157
Energy: 0.5702525770699595
Energy: 0.5304233942960035
Energy: 0.524576505473946
Energy: 0.6335169742598038
Energy: 0.5233951374844646
Energy: 0.6335169742598038
Energy: 0.5715688059869094
Energy: 0.5960671621458086
Energy: 0.5232694070386649
Energy: 0.5960671621458086
Energy: 0.5806062481865283
Energy: 0.6568467027535273
Energy: 0.5437611572951215
Energy: 0.6568467027535273
Energy: 0.5229284274918881
Energy: 0.562398645379338
Energy: 0.5312435888731923
Energy: 0.562398645379338
Energy: 0.6013026926278655
Energy: 0.607199051443403
Energy: 0.5238947482242545
Energy: 0.6071990514422152
Energy: 0.5555886709367294
Energy: 0.629919855686342
Energy: 0.6442659270924487
Energy: 0.629919855686342
Energy: 0.5232589808162383
Energy: 0.5723281287324135
Energy: 0.6020502211917432
Energy: 0.5723281287336014
Energy: 0.5870052364018156
Energy: 0.6061660126052072
Energy: 0.5226822750180276
Energy: 0.6061660126052072
Energy: 0.5228744072560686
Energy: 0.6112406236058534
Energy: 0.541276686914274
Energy: 0.6112406236070411
Energy: 0.5989591152393613
Energy: 0.5957535405535658
Energy: 0.581048251775655
Energy: 0.5957535405535658
Energy: 0.5309640158028104
Energy: 0.5718743382924508
Energy: 0.5246071812692601
Energy: 0.5718743382948265
Energy: 0.5233965330459206
Energy: 0.5674139046549582
Energy: 0.600484167449639
Energy: 0.5674139046549582

minimum gb energy = 0.5226822750180276 eV
minimum distance =  2.62038025151423 Angstroms
sigma value = 17


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

Energy: 0.5800026756929938
Energy: 0.5800802847177956
Energy: 0.7031559991965257
Energy: 0.5800802847184682
Energy: 0.6072151717520468
Energy: 0.5736219325481555
Energy: 0.5413627940720461
Energy: 0.5736219325488282
Energy: 0.5972971227941565
Energy: 0.5940221014111315
Energy: 0.5414342279884431
Energy: 0.5940221014111315
Energy: 0.540720537807207
Energy: 0.5987845753054669
Energy: 0.576287221007762
Energy: 0.5987845753061397
Energy: 0.6122062855653113
Energy: 0.5810404329764703
Energy: 0.5600041617189994
Energy: 0.5810404329784886
Energy: 0.5467159875452742
Energy: 0.5845443614962119
Energy: 0.6030677403944769
Energy: 0.5845443614948664
Energy: 0.5428405189483275
Energy: 0.5900837828709501
Energy: 0.5427543410454451
Energy: 0.5900837828722955
Energy: 0.6006659743324255
Energy: 0.5839621819169767
Energy: 0.5516167939532735
Energy: 0.5839621819176494
Energy: 0.5485250152792992
Energy: 0.6254017211247337
Energy: 0.6104480152081507
Energy: 0.625401721124061
Energy: 0.6428393912178305
Energy: 0.5756326538975975
Energy: 0.5437017764557157
Energy: 0.5756326538969248
Energy: 0.5432624585598734
Energy: 0.5979801898631469
Energy: 0.5989909836041181
Energy: 0.5979801898651652
Energy: 0.5477469036899514
Energy: 0.5893523596245072
Energy: 0.5478313968470369
Energy: 0.5893523596224889
Energy: 0.6056415932446055
Energy: 0.5801067623112672
Energy: 0.580558563899642
Energy: 0.5801067623099219
Energy: 0.5435155427387258
Energy: 0.6313649538438824
Energy: 0.6069183681151255
Energy: 0.6313649538452278
Energy: 0.5811202507282041
Energy: 0.5905771837273678
Energy: 0.5487137277577766
Energy: 0.5905771837287133
Energy: 0.6004045636469492
Energy: 0.5994015047544231
Energy: 0.6004643767477742
Energy: 0.5994015047537503
Energy: 0.5435398410418135
Energy: 0.6063202692755512
Energy: 0.6531479009059544
Energy: 0.6063202692742057
Energy: 0.5973705788473309
Energy: 0.5771682374331034
Energy: 0.5466921785915237
Energy: 0.5771682374350909
Energy: 0.568762224675774
Energy: 0.6061531862628095
Energy: 0.5778254842839874
Energy: 0.6061531862634822
Energy: 0.5667620426998627
Energy: 0.5985881171624184
Energy: 0.5408383964133862
Energy: 0.5985881171617456
Energy: 0.5700278569526099
Energy: 0.5938719923310619
Energy: 0.5969984266040472
Energy: 0.5938719923297163
Energy: 0.5433411377655463
Energy: 0.6436179625559121
Energy: 0.6435395662444726
Energy: 0.6436179625552394
Energy: 0.6130378094049048
Energy: 0.5982059926280137
Energy: 0.5408093189958395
Energy: 0.5982059926273409
Energy: 0.5705087274860883
Energy: 0.5925852458575972
Energy: 0.603954671363714
Energy: 0.5925852458562518
Energy: 0.571215503350076
Energy: 0.5941582939640025
Energy: 0.6035774383917515
Energy: 0.5941582939633299
Energy: 0.6119548930095551
Energy: 0.5981757700335725
Energy: 0.5414459975572835
Energy: 0.5981757700335725
Energy: 0.552894567571685
Energy: 0.6672654733950774
Energy: 0.6542136647168613
Energy: 0.667265473396423
Energy: 0.6029404318699574
Energy: 0.584301436558181
Energy: 0.5975726707850236
Energy: 0.5843014365568356
Energy: 0.6460611833178165
Energy: 0.6297576139836728
Energy: 0.5423067488903174
Energy: 0.6297576139850183
Energy: 0.5502109119927796
Energy: 0.6053023204524252
Energy: 0.5981243872174036
Energy: 0.605302320453098

minimum gb energy = 0.540720537807207 eV
minimum distance =  2.46772127415047 Angstroms
sigma value = 53


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

Energy: 0.5012361640157328
Energy: 0.5012564441230559
Energy: 0.7473046156382528
Energy: 0.5012564441230559
Energy: 0.596420054662401
Energy: 0.5510514992459588
Energy: 0.5714995223960929
Energy: 0.5510514992475076
Energy: 0.5021967410478837
Energy: 0.5011206781217641
Energy: 0.5197044336577484
Energy: 0.5011206781186666
Energy: 0.5022179566245645
Energy: 0.5010710868854078
Energy: 0.5197138068337919
Energy: 0.5010710868838589
Energy: 0.5962999609775578
Energy: 0.5510450190611773
Energy: 0.5827243662965607
Energy: 0.5510450190565311
Energy: 0.5012361640157328
Energy: 0.5012564441230559
Energy: 0.7095992696282548
Energy: 0.5012564441230559
Energy: 0.596420054662401
Energy: 0.5510514992459588
Energy: 0.5904951722677666
Energy: 0.5510514992475076
Energy: 0.5021967410494325
Energy: 0.5011206781202154
Energy: 0.5619656939253215
Energy: 0.5011206781171178
Energy: 0.5022179566261132
Energy: 0.5010710868854078
Energy: 0.5713794770588265
Energy: 0.5010710868838589
Energy: 0.5962999609791064
Energy: 0.5510450190596287
Energy: 0.6015874906007095
Energy: 0.5510450190565311
Energy: 0.5012361640157328
Energy: 0.5012564441230559
Energy: 0.7091604297809361
Energy: 0.5012564441230559
Energy: 0.5964200546639498
Energy: 0.5510514992444101
Energy: 0.5904951722677666
Energy: 0.5510514992475076
Energy: 0.5021967410478837
Energy: 0.5011206781202154
Energy: 0.5903860366405542
Energy: 0.5011206781186666

minimum gb energy = 0.5010710868838589 eV
minimum distance =  2.59570983129833 Angstroms
sigma value = 9


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

Energy: 0.5659910920391406
Energy: 0.6987318786135964
Energy: 0.732812501941289
Energy: 0.6987318786135964
Energy: 0.6651579453184641
Energy: 0.5896900977227905
Energy: 0.5679097656803191
Energy: 0.5896900977216439
Energy: 0.5623613141664808
Energy: 0.5994333940542851
Energy: 0.5734586055498464
Energy: 0.5994333940531387
Energy: 0.6230305233073101
Energy: 0.6038202903614326
Energy: 0.5681699737516657
Energy: 0.603820290359713
Energy: 0.6847358875495655
Energy: 0.5878002754021759
Energy: 0.5679648631919947
Energy: 0.5878002754050421
Energy: 0.56008999109033
Energy: 0.5602044788753491
Energy: 0.6256459193190879
Energy: 0.5602044788742025
Energy: 0.7093840071997461
Energy: 0.5860877243513962
Energy: 0.5681944132994082
Energy: 0.5860877243513962
Energy: 0.5645277883057096
Energy: 0.6634392034748484
Energy: 0.6304081035043532
Energy: 0.6634392034731288
Energy: 0.5636627515187065
Energy: 0.6108108115688246
Energy: 0.5650908888795109
Energy: 0.6108108115636657
Energy: 0.5632748711965297
Energy: 0.586622962869222
Energy: 0.568248022641602
Energy: 0.586622962869222
Energy: 0.5646833616903836
Energy: 0.6014513941006402
Energy: 0.7138967489877811
Energy: 0.6014513941023599
Energy: 0.6365460132409109
Energy: 0.6801989661167953
Energy: 0.5713966578965869
Energy: 0.6801989661173686
Energy: 0.5636487650722652
Energy: 0.6784170703631985
Energy: 0.6684551065492321
Energy: 0.6784170703620521
Energy: 0.6244076364963358
Energy: 0.6741919133657175
Energy: 0.570148728682578
Energy: 0.6741919133651442
Energy: 0.5728833110062256
Energy: 0.6268381954584511
Energy: 0.626783656340609
Energy: 0.6268381954601708
Energy: 0.5647292965159052
Energy: 0.6660891399524409
Energy: 0.6297744910032054
Energy: 0.6660891399524409
Energy: 0.6019813185144026
Energy: 0.6267396308847442
Energy: 0.5728904349207401
Energy: 0.626739630887037
Energy: 0.5665478550112085
Energy: 0.5858926953821073
Energy: 0.6508356546060672
Energy: 0.5858926953803877
Energy: 0.6609580449839554
Energy: 0.6382098001228679
Energy: 0.5614339002429121
Energy: 0.6382098001217215
Energy: 0.5706528960682803
Energy: 0.5929221664162686
Energy: 0.6103839404415058
Energy: 0.5929221664156955
Energy: 0.6271394342272729
Energy: 0.6614787621877066
Energy: 0.6246195951826757
Energy: 0.661478762183694
Energy: 0.6073841272570525
Energy: 0.6213952881527146
Energy: 0.5631724123707254
Energy: 0.6213952881521413
Energy: 0.565200212166981
Energy: 0.6379537977397162
Energy: 0.5633237442919584
Energy: 0.6379537977362769
Energy: 0.7234697372441231
Energy: 0.6383218406208943
Energy: 0.5636001086597974
Energy: 0.6383218406191745
Energy: 0.5705160530168724
Energy: 0.711102037854983
Energy: 0.6812941186832739
Energy: 0.7111020378532633
Energy: 0.5938852151678801
Energy: 0.6001041340791919
Energy: 0.5622214908669964
Energy: 0.6001041340791919
Energy: 0.6314141401360011
Energy: 0.6420703502628707
Energy: 0.6225022380215569
Energy: 0.6420703502628707
Energy: 0.5775894528382755
Energy: 0.6744067383168846
Energy: 0.6225881497743236
Energy: 0.6744067383191775
Energy: 0.59887369512006
Energy: 0.6002870349253203
Energy: 0.5618801292078154
Energy: 0.6002870349258936
Energy: 0.5682984812138829
Energy: 0.7055956762378771
Energy: 0.6799877149889564
Energy: 0.7055956762384503
Energy: 0.6896505270676312
Energy: 0.6389096635057224
Energy: 0.5633134347709297
Energy: 0.6389096635085886
Energy: 0.5657920415589296
Energy: 0.587430942171823
Energy: 0.5626806017496208
Energy: 0.5874309421712499
Energy: 0.575174402426335
Energy: 0.6265882682125741
Energy: 0.5624341248012782
Energy: 0.6265882682125741
Energy: 0.6225536730705299
Energy: 0.662353521421145
Energy: 0.6232251926714462
Energy: 0.662353521421145
Energy: 0.5680525129058914
Energy: 0.6514231636870685
Energy: 0.7083508761115735
Energy: 0.6514231636876417

minimum gb energy = 0.56008999109033 eV
minimum distance =  2.5100552946197 Angstroms
sigma value = 73


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

Energy: 0.6003004619349901
Energy: 0.6019181107998708
Energy: 0.7248906166503173
Energy: 0.6019181108007802
Energy: 0.606960043587635
Energy: 0.6482967312132436
Energy: 0.5735674323646444
Energy: 0.6482967312150626
Energy: 0.5712852407424323
Energy: 0.5969466218197905
Energy: 0.5640618485870729
Energy: 0.5969466218216095
Energy: 0.5679392046597052
Energy: 0.6427685528998058
Energy: 0.5798149096065458
Energy: 0.6427685528988962
Energy: 0.5990059909129423
Energy: 0.6081010956400148
Energy: 0.6041104677423447
Energy: 0.6081010956409242
Energy: 0.5759463003167573
Energy: 0.5741438001434466
Energy: 0.6860476536540671
Energy: 0.5741438001470845
Energy: 0.7019574825439375
Energy: 0.6390738977399266
Energy: 0.5743435451105835
Energy: 0.6390738977399266
Energy: 0.5679548654497375
Energy: 0.5612921748905001
Energy: 0.6811601360060686
Energy: 0.5612921748895905
Energy: 0.6916172013439998
Energy: 0.5622758251680807
Energy: 0.5667073111762012
Energy: 0.5622758251662618
Energy: 0.5744069196622654
Energy: 0.6062012067742398
Energy: 0.5741269706773848
Energy: 0.6062012067751492
Energy: 0.5672615826300531
Energy: 0.5960599592579053
Energy: 0.6636727329499188
Energy: 0.5960599592588147
Energy: 0.6414112226382725
Energy: 0.6435515466940336
Energy: 0.5684628528810292
Energy: 0.6435515466958526
Energy: 0.5781062434889548
Energy: 0.6001457944803793
Energy: 0.6804644274496428
Energy: 0.6001457944776509
Energy: 0.697424166831245
Energy: 0.6364291940701576
Energy: 0.5766761239347732
Energy: 0.6364291940710671
Energy: 0.5722325881703864
Energy: 0.65298895264863
Energy: 0.6587415596133733
Energy: 0.65298895264863
Energy: 0.6638735424324391
Energy: 0.6206832010346864
Energy: 0.5682062763676413
Energy: 0.6206832010383242
Energy: 0.6080379307497314
Energy: 0.6055022136264879
Energy: 0.5713250811997727
Energy: 0.6055022136273973
Energy: 0.6070219808341831
Energy: 0.6011500516249654
Energy: 0.570633633249294
Energy: 0.6011500516267843
Energy: 0.5723122432664206
Energy: 0.5967769828370604
Energy: 0.5675279134124502
Energy: 0.596776982836151
Energy: 0.5739043426409871
Energy: 0.6162703840440711
Energy: 0.6892955089759112
Energy: 0.6162703840467995
Energy: 0.7017217180107574
Energy: 0.5963670391293907
Energy: 0.575005467901509
Energy: 0.5963670391284813
Energy: 0.5798960974966018
Energy: 0.6095754956446595
Energy: 0.6342675606195961
Energy: 0.6095754956464784

minimum gb energy = 0.5612921748895905 eV
minimum distance =  2.52125892895397 Angstroms
sigma value = 7


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

Energy: 0.5831813990753342
Energy: 0.5837505415405151
Energy: 0.7432383805362338
Energy: 0.5837505415379428
Energy: 0.7049927410984758
Energy: 0.5931368955169729
Energy: 0.5798144289664612
Energy: 0.5931368955214743
Energy: 0.5711748030025813
Energy: 0.6599411012298733
Energy: 0.5843807009415842
Energy: 0.6599411012324455
Energy: 0.5994946717749994
Energy: 0.6176151116090498
Energy: 0.5778205267514244
Energy: 0.6176151116058346
Energy: 0.5727065845698598
Energy: 0.6051541359853593
Energy: 0.5922430022662095
Energy: 0.6051541359840731
Energy: 0.5719966841504304
Energy: 0.6287184081195579
Energy: 0.707176032251573
Energy: 0.6287184081150564
Energy: 0.6559524646265649
Energy: 0.638372819590892
Energy: 0.5950279618621838
Energy: 0.6383728195986089
Energy: 0.571871596397786
Energy: 0.6290372691360397
Energy: 0.7297021193739851
Energy: 0.6290372691379691
Energy: 0.654479279068295
Energy: 0.6108314787723167
Energy: 0.5752938649241162
Energy: 0.6108314787639566
Energy: 0.5734883038344579
Energy: 0.6214540665976891
Energy: 0.6313993326392231
Energy: 0.6214540665976891
Energy: 0.5985941545581506
Energy: 0.629843898093782
Energy: 0.5948743341635295
Energy: 0.6298438981008561
Energy: 0.5953343934581227
Energy: 0.6050444468483065
Energy: 0.5933832387570918
Energy: 0.605044446850879
Energy: 0.5901853602664207
Energy: 0.5861130891322552
Energy: 0.5958381015386893
Energy: 0.586113089130969
Energy: 0.5984409714791568
Energy: 0.6266446051522387
Energy: 0.5939090810824472
Energy: 0.6266446051663866
Energy: 0.575806324292487
Energy: 0.6646558444180348
Energy: 0.6463547312734058
Energy: 0.6646558444218933
Energy: 0.7529261206178751
Energy: 0.5807384384618439
Energy: 0.5738388168769876
Energy: 0.5807384384605578
Energy: 0.574447075968907
Energy: 0.6055167771651465
Energy: 0.644390024816184
Energy: 0.6055167771651465
Energy: 0.5832107982601782
Energy: 0.666426185486829
Energy: 0.5936851257173918
Energy: 0.6664261854887582
Energy: 0.5745595269310301
Energy: 0.6293554861685997
Energy: 0.5944705755010087
Energy: 0.6293554861595966
Energy: 0.5792289507310963
Energy: 0.6055748775033143
Energy: 0.5938031433540732
Energy: 0.605574877508459
Energy: 0.5973094224437902
Energy: 0.6646624331978087
Energy: 0.5753564378517043
Energy: 0.6646624331939502
Energy: 0.5715710196081952
Energy: 0.6613550005530108
Energy: 0.6490945778074804
Energy: 0.6613550005497955
Energy: 0.7055505766237774
Energy: 0.6599558106200956
Energy: 0.5948947282146279
Energy: 0.6599558106162372
Energy: 0.5857367366866159
Energy: 0.5846657535034357
Energy: 0.6919342076525081
Energy: 0.5846657535027928
Energy: 0.5904758899075662
Energy: 0.6055983034741851
Energy: 0.5934587646610976
Energy: 0.6055983034741851
Energy: 0.5987486123936863
Energy: 0.6280565767283536
Energy: 0.5930603445389858
Energy: 0.628056576723852
Energy: 0.5728903722356176
Energy: 0.619347078309171
Energy: 0.6381501944093324
Energy: 0.6193470783162158
Energy: 0.6001651201439523
Energy: 0.6052324359687418
Energy: 0.5778925718248182
Energy: 0.6052324359648832
Energy: 0.5700007611033552
Energy: 0.6289568223225632
Energy: 0.6779185354193654
Energy: 0.6289568223277079
Energy: 0.628068054247582
Energy: 0.5875267989522899
Energy: 0.5819259402365656
Energy: 0.5875267989465021
Energy: 0.5700116926852705
Energy: 0.6289816252508452
Energy: 0.6768783212016587
Energy: 0.6289816252450575

minimum gb energy = 0.5700007611033552 eV
minimum distance =  2.4891157917406 Angstroms
sigma value = 29


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

Energy: 0.5568165061770266
Energy: 0.5597790588203204
Energy: 0.7936597385918075
Energy: 0.5597790588200966
Energy: 0.5655557799111852
Energy: 0.558710465008939
Energy: 0.5588162877848806
Energy: 0.5587104650082669
Energy: 0.5739138054288091
Energy: 0.5573715018412447
Energy: 0.599575690617625
Energy: 0.5573715018414438
Energy: 0.5581087554966941
Energy: 0.5407330972850234
Energy: 0.5590878591009653
Energy: 0.5407330972852474
Energy: 0.5571163373510866
Energy: 0.5404108926082319
Energy: 0.5598673460492365
Energy: 0.5404108926086799
Energy: 0.5764240662058504
Energy: 0.5849432056109417
Energy: 0.5764399038695476
Energy: 0.5849432056107178
Energy: 0.5597243160802227
Energy: 0.5404401837982429
Energy: 0.5571401159753235
Energy: 0.5404401837971478
Energy: 0.5592425640428527
Energy: 0.5405981788374078
Energy: 0.5593329751129562
Energy: 0.5405981788367606
Energy: 0.5995557894358136
Energy: 0.5572864542238868
Energy: 0.5926704760295975
Energy: 0.557286454224086

minimum gb energy = 0.5404108926082319 eV
minimum distance =  2.61187896516334 Angstroms
sigma value = 5


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

Energy: 0.5439301963755471
Energy: 0.5620516181060395
Energy: 0.7430874750446151
Energy: 0.5620516181060395
Energy: 0.5481808453228794
Energy: 0.5727441206847812
Energy: 0.5423295445168979
Energy: 0.5727441206853886
Energy: 0.5335517903237864
Energy: 0.5600809613937526
Energy: 0.635976284275603
Energy: 0.5600809613949675
Energy: 0.5412406811048034
Energy: 0.5760145999336055
Energy: 0.5379955673365531
Energy: 0.5760145999366428
Energy: 0.5422717491171846
Energy: 0.5786399297977098
Energy: 0.6363588455247243
Energy: 0.5786399297995322
Energy: 0.5855594652762086
Energy: 0.6098354575589229
Energy: 0.5335208274754645
Energy: 0.6098354575607452
Energy: 0.5335761310975443
Energy: 0.577504400304002
Energy: 0.5296353918259056
Energy: 0.577504400304002
Energy: 0.5314204282926708
Energy: 0.6101286979934273
Energy: 0.5358716234427687
Energy: 0.6101286979934273
Energy: 0.5354273571358711
Energy: 0.5777878310822826
Energy: 0.5438852662208952
Energy: 0.5777878310810677
Energy: 0.5397541466283059
Energy: 0.5776337911657978
Energy: 0.5336992781514137
Energy: 0.5776337911633679
Energy: 0.550784798828143
Energy: 0.6118398500277323
Energy: 0.5341902169220846
Energy: 0.6118398500265174
Energy: 0.5379744217051339
Energy: 0.5893744865168407
Energy: 0.5624250292762287
Energy: 0.5893744865168407
Energy: 0.587334548434733
Energy: 0.5625731807305413
Energy: 0.5608602959613629
Energy: 0.5625731807281115
Energy: 0.5414398555007656
Energy: 0.5628993070657254
Energy: 0.5656289314708478
Energy: 0.5628993070645105
Energy: 0.5484982869321906
Energy: 0.5769873953970629
Energy: 0.5341422929404037
Energy: 0.5769873953964554
Energy: 0.5345356462617907
Energy: 0.5600025396473961
Energy: 0.5770838569654272
Energy: 0.5600025396467887
Energy: 0.6303051030791668
Energy: 0.5909020507403936
Energy: 0.541142034299225
Energy: 0.5909020507410011
Energy: 0.5380858724815423
Energy: 0.6099761526172935
Energy: 0.6880741773291432
Energy: 0.6099761526172935
Energy: 0.5388551385939434
Energy: 0.5786944901055537
Energy: 0.5346000505397818
Energy: 0.5786944901043389
Energy: 0.5335044706112093
Energy: 0.6323406449009157
Energy: 0.5460020471933943
Energy: 0.632340644902738
Energy: 0.5391501468298165
Energy: 0.5630662848450618
Energy: 0.5375329095854067
Energy: 0.5630662848456692
Energy: 0.5427476311207259
Energy: 0.5777424483870199
Energy: 0.5379973099758067
Energy: 0.577742448385805
Energy: 0.5361656431389734
Energy: 0.56343632810487
Energy: 0.543328432104704
Energy: 0.5634363281018328
Energy: 0.5623753815580409
Energy: 0.5587841173988142
Energy: 0.5404335238136689
Energy: 0.5587841173975993
Energy: 0.5690141487641064
Energy: 0.5527705691145135
Energy: 0.5383006241874523
Energy: 0.552770569115121
Energy: 0.5490332691350492
Energy: 0.5629848608836787
Energy: 0.5355870828487024
Energy: 0.5629848608782115
Energy: 0.5365670348920131
Energy: 0.5733192226550308
Energy: 0.5456253263184218
Energy: 0.5733192226544233
Energy: 0.6513916154822141
Energy: 0.5790890675571575
Energy: 0.5345432563486014
Energy: 0.5790890675553352
Energy: 0.538175076070733
Energy: 0.5731121003266579
Energy: 0.6285503927004649
Energy: 0.5731121003272653
Energy: 0.685853969195867
Energy: 0.6101066200690408
Energy: 0.5381305867278593
Energy: 0.6101066200672184
Energy: 0.5325808786474712
Energy: 0.5460831699859918
Energy: 0.611963018413675
Energy: 0.5460831699890292
Energy: 0.6280669891355478
Energy: 0.5794051840579362
Energy: 0.5384194946847827
Energy: 0.5794051840555062
Energy: 0.5357512373299735
Energy: 0.578178049009957
Energy: 0.5411090223362569
Energy: 0.578178049009957

minimum gb energy = 0.5296353918259056 eV
minimum distance =  2.4965814063124 Angstroms
sigma value = 1


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

Energy: 0.5954362975179823
Energy: 0.5339812792704394
Energy: 0.7477860166096941
Energy: 0.5339812792679196
Energy: 0.541643154001102
Energy: 0.5580504068098314
Energy: 0.511787851852288
Energy: 0.5580504068115113
Energy: 0.5123220535535852
Energy: 0.5352848734384028
Energy: 0.6099361816508362
Energy: 0.5352848734400828
Energy: 0.5235871117778047
Energy: 0.5578488170995901
Energy: 0.5184571756835643
Energy: 0.5578488170970703
Energy: 0.5050903465092752
Energy: 0.5781535410825216
Energy: 0.6745579024453102
Energy: 0.5781535410833616
Energy: 0.5043989826885512
Energy: 0.5729645109465888
Energy: 0.5184418285834197
Energy: 0.5729645109465888
Energy: 0.5126171420977406
Energy: 0.5783102924295482
Energy: 0.5940762121740121
Energy: 0.5783102924270285
Energy: 0.514685800540092
Energy: 0.5741439119162958
Energy: 0.5383240644468543
Energy: 0.5741439119171357
Energy: 0.5348842130062164
Energy: 0.5341538159629943
Energy: 0.5368537416171482
Energy: 0.5341538159646742
Energy: 0.5349835157702251
Energy: 0.5266698522122318
Energy: 0.5535616223699544
Energy: 0.5266698522130717
Energy: 0.5129655817876001
Energy: 0.6046891415707851
Energy: 0.5218070788495268
Energy: 0.6046891415691052
Energy: 0.5140588070134822
Energy: 0.577884776261785
Energy: 0.5973780251286644
Energy: 0.577884776261785
Energy: 0.5033794340464676
Energy: 0.6046175960648923
Energy: 0.5189265117758494
Energy: 0.6046175960665722
Energy: 0.5031340729777717
Energy: 0.5328502216829006
Energy: 0.6230960514666692
Energy: 0.5328502216820606
Energy: 0.5651411145248487
Energy: 0.5580360311391754
Energy: 0.5190069754746482
Energy: 0.5580360311391754
Energy: 0.5123076051581756
Energy: 0.5353631919245545
Energy: 0.6024879838701843
Energy: 0.5353631919220347
Energy: 0.5921359297116875
Energy: 0.6418844002696398
Energy: 0.5118225223869848
Energy: 0.64188440026796
Energy: 0.5954362975171426
Energy: 0.5339812792687596
Energy: 0.5573660824825706
Energy: 0.5339812792670797
Energy: 0.5416431539985821
Energy: 0.5580504068098314
Energy: 0.5117878518497684
Energy: 0.5580504068123512
Energy: 0.5123220535544251
Energy: 0.5352848734384028
Energy: 0.6129742635007159
Energy: 0.5352848734392427
Energy: 0.5235871117786446
Energy: 0.5578488170995901
Energy: 0.5184571756852442
Energy: 0.5578488170987503
Energy: 0.5050903465067746
Energy: 0.5781535410825216
Energy: 0.6330580508952325
Energy: 0.5781535410833616
Energy: 0.504398982692751
Energy: 0.5729645109507885
Energy: 0.5184418285850996
Energy: 0.5729645109499485
Energy: 0.5126171420977406
Energy: 0.5783102924295482
Energy: 0.528123539160399
Energy: 0.5783102924278682

minimum gb energy = 0.5031340729777717 eV
minimum distance =  2.5088014212792 Angstroms
sigma value = 17


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

Energy: 0.5321355820740037
Energy: 0.5322150370000895
Energy: 0.6619353644145296
Energy: 0.5322150370016469
Energy: 0.5531928108677371
Energy: 0.5233852726458214
Energy: 0.512371843463165
Energy: 0.5233852726453021
Energy: 0.5102845082372672
Energy: 0.528134602916627
Energy: 0.6441016491837079
Energy: 0.5281346029202609
Energy: 0.5791560619982133
Energy: 0.6081566215542801
Energy: 0.5093932049938592
Energy: 0.6081566215537609
Energy: 0.5118924115774387
Energy: 0.5274252332101722
Energy: 0.5393336660516741
Energy: 0.5274252332106913
Energy: 0.5132517600625915
Energy: 0.6961636688198508
Energy: 0.5148572174844441
Energy: 0.6961636688198508
Energy: 0.5182219224561629
Energy: 0.5526699003463132
Energy: 0.528240342173422
Energy: 0.5526699003421601
Energy: 0.5188276728985042
Energy: 0.6255639529060236
Energy: 0.5104056487332903
Energy: 0.6255639529065428
Energy: 0.5342620548255831
Energy: 0.6180052140469449
Energy: 0.54559412321748
Energy: 0.618005214044349
Energy: 0.5357568729551904
Energy: 0.6202395405049307
Energy: 0.5099450630160711
Energy: 0.620239540505969
Energy: 0.5132249292631235
Energy: 0.6120032123389922
Energy: 0.5123353566804305
Energy: 0.6120032123374348
Energy: 0.5146040792497152
Energy: 0.5450028798250596
Energy: 0.5051080262114613
Energy: 0.5450028798240213
Energy: 0.5206675423652962
Energy: 0.6173731963666514
Energy: 0.5125002880905783
Energy: 0.6173731963676896
Energy: 0.5134234801595916
Energy: 0.5593098693052103
Energy: 0.5324294988159102
Energy: 0.5593098693036528
Energy: 0.5114259028118356
Energy: 0.6102607792472539
Energy: 0.5373541504154791
Energy: 0.6102607792488112
Energy: 0.5137259003877612
Energy: 0.5282440668313844
Energy: 0.5365642499998138
Energy: 0.5282440668329418
Energy: 0.5307702383487886
Energy: 0.6103543412308505
Energy: 0.5126071682406518
Energy: 0.6103543412292931
Energy: 0.5069292825110063
Energy: 0.5787165836160135
Energy: 0.5344231321125295
Energy: 0.57871658361809
Energy: 0.5899657582831427
Energy: 0.6039006107564682
Energy: 0.5126147437782624
Energy: 0.6039006324511375
Energy: 0.5123895130064496
Energy: 0.5279902971440352
Energy: 0.5760999517042181
Energy: 0.5279902971445544
Energy: 0.5358672624776937
Energy: 0.5192729163634141
Energy: 0.516613736555954
Energy: 0.5192729163660098
Energy: 0.5168016285965796
Energy: 0.5334602118464297
Energy: 0.5472756540510106
Energy: 0.5334602118469488
Energy: 0.5838958156761869
Energy: 0.613378145152037
Energy: 0.5132036811643016
Energy: 0.6133781451515178
Energy: 0.5128106543000439
Energy: 0.5541370953052778
Energy: 0.5992436130525138
Energy: 0.5541370953052778
Energy: 0.5514684833161398
Energy: 0.5786883256840214
Energy: 0.5078226687978579
Energy: 0.5786883256845405
Energy: 0.5140268812444879
Energy: 0.5603364399279096
Energy: 0.5306302077164538
Energy: 0.5603364399273905
Energy: 0.5892254103856348
Energy: 0.6186897668797736
Energy: 0.5142999014692645
Energy: 0.6186897668797736
Energy: 0.5397726109284261
Energy: 0.6104240025893302
Energy: 0.5143476500286421
Energy: 0.6104240025903684
Energy: 0.5426928267962808
Energy: 0.5592072119159751
Energy: 0.515306657459484
Energy: 0.5592072119170134
Energy: 0.5130255904779433
Energy: 0.6155401457332992
Energy: 0.546306262546434
Energy: 0.6155401457332992
Energy: 0.512799399925755
Energy: 0.5587707651096234
Energy: 0.5075129798797583
Energy: 0.558770765112691
Energy: 0.5148425978165342
Energy: 0.6117387335068734
Energy: 0.5116768290152098
Energy: 0.6117387335053158
Energy: 0.5144180295002909
Energy: 0.6208991606341173
Energy: 0.6022395092063305
Energy: 0.6208991606356747
Energy: 0.5449058598135179
Energy: 0.6173834307732005
Energy: 0.5191749779708692
Energy: 0.6173834307737197
Energy: 0.5099925377748032
Energy: 0.5793646924381394
Energy: 0.5425901079339549
Energy: 0.5793646924391775
Energy: 0.5284435409793535
Energy: 0.553602925621705
Energy: 0.5191294754001735
Energy: 0.5536029256222242
Energy: 0.5134107944398923
Energy: 0.6195197000352146
Energy: 0.5214761486530356
Energy: 0.6195197000346955
Energy: 0.5287923313298679
Energy: 0.560988952275338
Energy: 0.513419328192476
Energy: 0.5609889522774145

minimum gb energy = 0.5051080262114613 eV
minimum distance =  2.50172299605221 Angstroms
sigma value = 89


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

Energy: 0.4646064762367946
Energy: 0.4649359862838866
Energy: 0.7713827641039174
Energy: 0.4649359862838866
Energy: 0.4652236461782314
Energy: 0.47766972383253237
Energy: 0.4736417616967225
Energy: 0.47766972383253237
Energy: 0.4722266346966839
Energy: 0.6712515918571266
Energy: 0.6736043561951007
Energy: 0.6712515918571266
Energy: 0.5160922424800313
Energy: 0.4775748376359143
Energy: 0.4735912603875661
Energy: 0.4775748376359143
Energy: 0.4720819843924764
Energy: 0.5067710737593688
Energy: 0.5330020570279854
Energy: 0.5067710737580103
Energy: 0.47229665062262904
Energy: 0.4652802276629479
Energy: 0.46659920850485526
Energy: 0.4652802276629479
Energy: 0.47227137625169474
Energy: 0.5409611396517695
Energy: 0.4649725263131942
Energy: 0.5409611396517695
Energy: 0.49131940613008934
Energy: 0.5003344701234184
Energy: 0.47349843164043787
Energy: 0.5003344701234184
Energy: 0.4721145592747902
Energy: 0.5068168557767573
Energy: 0.48591369705453974
Energy: 0.5068168557767573
Energy: 0.47772929312313767
Energy: 0.46579075222970856
Energy: 0.472132094472758
Energy: 0.46579075222970856
Energy: 0.46474304896888097
Energy: 0.47789419346429496
Energy: 0.47221202857420896
Energy: 0.47789419346429496
Energy: 0.4648683177719407
Energy: 0.5391739562826451
Energy: 0.47352839886792025
Energy: 0.5391739562812868
Energy: 0.472260421859407
Energy: 0.4654591147103876
Energy: 0.4845122293777035
Energy: 0.46545911471174595
Energy: 0.4722557499935288
Energy: 0.5052956557345243
Energy: 0.4722843435188386
Energy: 0.505295655733166
Energy: 0.4912173436988055
Energy: 0.46546744605373513
Energy: 0.4722542390102
Energy: 0.46546744605373513

minimum gb energy = 0.4646064762367946 eV
minimum distance =  2.55996973490663 Angstroms
sigma value = 13


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

Energy: 0.4709683398543605
Energy: 0.5992509612695559
Energy: 0.6068944619370147
Energy: 0.5992509612809426
Energy: 0.5366358120877504
Energy: 0.6073077259507774
Energy: 0.45526413641063124
Energy: 0.6073077259502081
Energy: 0.4554332587847371
Energy: 0.5266419196275163
Energy: 0.5459419023718618
Energy: 0.526641919635487
Energy: 0.4561298710281822
Energy: 0.5346741742636092
Energy: 0.45292453333625693
Energy: 0.5346741742664559
Energy: 0.45915744150742405
Energy: 0.5570353851935304
Energy: 0.4924955754856647
Energy: 0.5570353851855598
Energy: 0.45730801249729425
Energy: 0.4649992546212168
Energy: 0.4629951500612854
Energy: 0.4649992546160928
Energy: 0.4594645021344758
Energy: 0.5552270388000072
Energy: 0.6316866787409389
Energy: 0.5552270388022845
Energy: 0.4532624348678903
Energy: 0.5348951755745451
Energy: 0.4629579997717234
Energy: 0.5348951755654358
Energy: 0.458691508611899
Energy: 0.5544772284754418
Energy: 0.5678122678282984
Energy: 0.5544772284788578
Energy: 0.5463569447264549
Energy: 0.5636372045798295
Energy: 0.45293929679024836
Energy: 0.5636372045826761
Energy: 0.45856181469558427
Energy: 0.4939682076796902
Energy: 0.45851296190602553
Energy: 0.4939682076779822
Energy: 0.598499844054326
Energy: 0.6251179485768126
Energy: 0.45710852036777705
Energy: 0.6251179485802285
Energy: 0.477024006814757
Energy: 0.46268730853717477
Energy: 0.4668737705051521
Energy: 0.46268730853717477
Energy: 0.6122651068432932
Energy: 0.4937906850458597
Energy: 0.4571513394042494
Energy: 0.4937906850441518
Energy: 0.45950903670989546
Energy: 0.4547649266737904
Energy: 0.4655870269036025
Energy: 0.4547649266766371
Energy: 0.4579876408160311
Energy: 0.4938256389195189
Energy: 0.45194185169859447
Energy: 0.4938256389269202
Energy: 0.4647578210658253
Energy: 0.4830350689684066
Energy: 0.4521897626522873
Energy: 0.4830350689695453
Energy: 0.4695327832021639
Energy: 0.48283394870876145
Energy: 0.4691740646572259
Energy: 0.4828339486968314
Energy: 0.4647707688035929
Energy: 0.462726681259811
Energy: 0.4690105265594808
Energy: 0.4627266812655043
Energy: 0.46477737966546745
Energy: 0.48517223111619323
Energy: 0.46897934686774834
Energy: 0.4851722311179013
Energy: 0.4695542748598591
Energy: 0.4828186731092298
Energy: 0.46932378920264367
Energy: 0.4828186731115071
Energy: 0.46469642415269785
Energy: 0.4831513346461714
Energy: 0.45218219748121435
Energy: 0.48315133465186466
Energy: 0.4578854504481811
Energy: 0.49396126795442946
Energy: 0.4520701838473574
Energy: 0.4939612679527215
Energy: 0.45965500931412806
Energy: 0.45487995651381535
Energy: 0.46558883468059725
Energy: 0.4548799565103993
Energy: 0.6122710593648883
Energy: 0.4936969760100455
Energy: 0.457170207519188
Energy: 0.4936969760123228
Energy: 0.4770108678277349
Energy: 0.46273557376340835
Energy: 0.4624653274398804
Energy: 0.4627355737605616
Energy: 0.5985048532914976
Energy: 0.6253378759006747
Energy: 0.45722810421416626
Energy: 0.6253378759006747
Energy: 0.45897122799296863
Energy: 0.49422849482853887
Energy: 0.45862485480294635
Energy: 0.4942284948245535
Energy: 0.5463463932816547
Energy: 0.5635991596547065
Energy: 0.4530820900361803
Energy: 0.5635991596416119
Energy: 0.45907924309399234
Energy: 0.5544998125492755
Energy: 0.5682579415753213
Energy: 0.5544998125481369
Energy: 0.45338931817548916
Energy: 0.5347162121098685
Energy: 0.4628983949011218
Energy: 0.5347162121252405
Energy: 0.4588410000107508
Energy: 0.5554159571348003
Energy: 0.6142908804785676
Energy: 0.5554159571330923
Energy: 0.4574891430930481
Energy: 0.46478236727794053
Energy: 0.46287665404141787
Energy: 0.46478236727224725
Energy: 0.4592975069985718
Energy: 0.5570812642985051
Energy: 0.6073003543807395
Energy: 0.5570812642956585
Energy: 0.45646624703935657
Energy: 0.5345825771126957
Energy: 0.4529183047805866
Energy: 0.5345825771121264

minimum gb energy = 0.45194185169859447 eV
minimum distance =  2.44515976596101 Angstroms
sigma value = 37


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

Energy: 0.4951333794289329
Energy: 0.49546997557927225
Energy: 0.7385281783710537
Energy: 0.49546997557927225
Energy: 0.528582453765214
Energy: 0.5661126678925134
Energy: 0.423549233892879
Energy: 0.5661126678934929
Energy: 0.47677918698100236
Energy: 0.5799490444680354
Energy: 0.5717287991491923
Energy: 0.5799490444699944
Energy: 0.4770013091270347
Energy: 0.48762819531219337
Energy: 0.42399557257808584
Energy: 0.4876281953112139
Energy: 0.42348816080675045
Energy: 0.5471695873741005
Energy: 0.509924274613047
Energy: 0.547169587373121
Energy: 0.43433177008636265
Energy: 0.6235716450221249
Energy: 0.4785100038269341
Energy: 0.623571645024084
Energy: 0.41980543819310406
Energy: 0.6946053564790199
Energy: 0.6039390443739339
Energy: 0.6946053564799995
Energy: 0.4188736032260521
Energy: 0.43020979208022164
Energy: 0.43135846225073154
Energy: 0.4302097920792421
Energy: 0.42404710550126523
Energy: 0.5661718885194053
Energy: 0.6084917484969082
Energy: 0.5661718885194053
Energy: 0.5717569608858762
Energy: 0.5809369548368163
Energy: 0.4785106777203146
Energy: 0.5809369548348795
Energy: 0.42324087097032304
Energy: 0.655807843810506
Energy: 0.47697044717791004
Energy: 0.6558078438114857
Energy: 0.5692953202163908
Energy: 0.42989624790432845
Energy: 0.42497457413330936
Energy: 0.42989624790628755
Energy: 0.47691187308203276
Energy: 0.6236180337748005
Energy: 0.4339832791105421
Energy: 0.6236180337748005
Energy: 0.6037112827223098
Energy: 0.7049852335148087
Energy: 0.41867928012509464
Energy: 0.7049852335148087
Energy: 0.4949537885830911
Energy: 0.5041017408237963
Energy: 0.4187758334726347
Energy: 0.5041017408237963
Energy: 0.4951784137987677
Energy: 0.5664233726022927
Energy: 0.4237493951656833
Energy: 0.566423372601313
Energy: 0.4768871248885141
Energy: 0.4733047493007508
Energy: 0.4305618105041312
Energy: 0.47330474929977134
Energy: 0.4770649743356412
Energy: 0.656030536484471
Energy: 0.42317668430334976
Energy: 0.6560305364834915
Energy: 0.42338682165713465
Energy: 0.4302024164041683
Energy: 0.42339023758341665
Energy: 0.4302024164051477
Energy: 0.4234382654159938
Energy: 0.5665228274661412
Energy: 0.47680477411738353
Energy: 0.5665228274681003

minimum gb energy = 0.41867928012509464 eV
minimum distance =  2.51539140350345 Angstroms
sigma value = 25


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

Energy: 0.40474598598003897
Energy: 0.5579275506951232
Energy: 0.7230351286155237
Energy: 0.5579275506935936
Energy: 0.5074450847667862
Energy: 0.47787964695475565
Energy: 0.38775234558160787
Energy: 0.4778796469555205
Energy: 0.38470151274225073
Energy: 0.3848322842672605
Energy: 0.5201500219329933
Energy: 0.3848322842680254
Energy: 0.4227728788878062
Energy: 0.562011139303217
Energy: 0.3877198615770132
Energy: 0.5620111393039819
Energy: 0.3879770339309721
Energy: 0.5625021658310755
Energy: 0.4326710144216158
Energy: 0.5625021658303105
Energy: 0.3795739754734414
Energy: 0.4781734845357964
Energy: 0.3877919840957174
Energy: 0.47817348453426667
Energy: 0.3889832172985784
Energy: 0.4713050340643894
Energy: 0.4233039913264261
Energy: 0.4713050340643894
Energy: 0.3829788675233957
Energy: 0.48726714993880904
Energy: 0.38562901032290453
Energy: 0.4872671499372794
Energy: 0.3879166016119305
Energy: 0.5625851752540175
Energy: 0.6021835228113628
Energy: 0.5625851752555472
Energy: 0.3822499019938865
Energy: 0.4714847552911752
Energy: 0.40560707274144364
Energy: 0.4714847552904103
Energy: 0.38895591315329775
Energy: 0.3850043054760031
Energy: 0.5576134830662652
Energy: 0.3850043054760031
Energy: 0.5056714533192126
Energy: 0.5850781157829851
Energy: 0.3855637728477972
Energy: 0.5850781157822202
Energy: 0.3881215618947098
Energy: 0.5624153976056788
Energy: 0.5170309032280517
Energy: 0.5624153976056788
Energy: 0.4954171555237873
Energy: 0.4710776866879807
Energy: 0.3876458449409748
Energy: 0.4710776866879807
Energy: 0.38906074484088876
Energy: 0.38502580503945955
Energy: 0.37942321681507424
Energy: 0.38502580503869466
Energy: 0.49091660941670984
Energy: 0.6245396460924646
Energy: 0.388362255863285
Energy: 0.6245396460924646
Energy: 0.3875792047616176
Energy: 0.40599646558502384
Energy: 0.3885544670904873
Energy: 0.40599646558425895
Energy: 0.4773574075977513
Energy: 0.47669481154602866
Energy: 0.3873992309918709
Energy: 0.4766948115467936
Energy: 0.4081343874252049
Energy: 0.471043632918675
Energy: 0.38222942906293456
Energy: 0.4710436329202048
Energy: 0.5577788619333751
Energy: 0.5191471523409753
Energy: 0.387879670986943
Energy: 0.5191471523417401
Energy: 0.38772728761833386
Energy: 0.5850700896226197
Energy: 0.38750722367678697
Energy: 0.5850700896241496
Energy: 0.3849237579810598
Energy: 0.39406744783036823
Energy: 0.3888124853724392
Energy: 0.39406744782960335
Energy: 0.3888052350714296
Energy: 0.609007085147458
Energy: 0.4959795658956144
Energy: 0.6090070851466931
Energy: 0.37944581502620506
Energy: 0.5188805598985208
Energy: 0.3884453341967072
Energy: 0.5188805598992857
Energy: 0.3879688802899663
Energy: 0.6243963399573076
Energy: 0.49054905125834497
Energy: 0.6243963399580724
Energy: 0.38228225785806796
Energy: 0.40509171315962467
Energy: 0.3848299690624416
Energy: 0.4050917131588599

minimum gb energy = 0.37942321681507424 eV
minimum distance =  2.58722214781536 Angstroms
sigma value = 41


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

Energy: 0.49581130188098677
Energy: 0.4962677442074924
Energy: 0.7036961424605018
Energy: 0.4962677442081195
Energy: 0.5257362483223831
Energy: 0.49339971138352234
Energy: 0.35518572301353113
Energy: 0.49339971138352234
Energy: 0.3626739488788364
Energy: 0.4908131033893853
Energy: 0.6210471683439367
Energy: 0.4908131033925206
Energy: 0.45654101003331354
Energy: 0.49279327399114803
Energy: 0.3551173947736501
Energy: 0.4927932739880127
Energy: 0.3523947528548422
Energy: 0.5032259534526976
Energy: 0.393657655750947
Energy: 0.5032259534526976
Energy: 0.38707599516986063
Energy: 0.49334824542551703
Energy: 0.35494679035451693
Energy: 0.49334824542112754
Energy: 0.35446861986390243
Energy: 0.49301579445708066
Energy: 0.3866596393545034
Energy: 0.49301579445519944
Energy: 0.35064418687566906
Energy: 0.4300925205231678
Energy: 0.35290936388555244
Energy: 0.430092520524422
Energy: 0.35641694051749495
Energy: 0.5505340940554381
Energy: 0.4919221558793962
Energy: 0.5505340940573193
Energy: 0.35376050682664395
Energy: 0.4911839963518322
Energy: 0.3631372956112512
Energy: 0.4911839963524593
Energy: 0.35449806707070325
Energy: 0.49304084583879215
Energy: 0.5697721667080133
Energy: 0.49304084583565677
Energy: 0.3530722749979105
Energy: 0.49665200312613716
Energy: 0.49636086094494086
Energy: 0.4966520031267642
Energy: 0.35656589272718314
Energy: 0.5496158427878693
Energy: 0.6107262293815339
Energy: 0.5496158427891235
Energy: 0.4518661754501883
Energy: 0.4922686608449562
Energy: 0.3631439406806397
Energy: 0.4922686608449562
Energy: 0.35461396925719246
Energy: 0.4927505493813735
Energy: 0.49098181476327624
Energy: 0.4927505493813735
Energy: 0.4486515153605198
Energy: 0.5099573868539287
Energy: 0.35288922050902655
Energy: 0.5099573868520474
Energy: 0.35653833989002603
Energy: 0.5495414652157069
Energy: 0.45868183690615977
Energy: 0.5495414652163341
Energy: 0.44395545416573307
Energy: 0.5968318631086565
Energy: 0.35505307096786
Energy: 0.5968318631080294
Energy: 0.35453858064481397
Energy: 0.4304737476775751
Energy: 0.35095271477854506
Energy: 0.43047374767945634
Energy: 0.43927374540734326
Energy: 0.5497437692600003
Energy: 0.357205094232752
Energy: 0.5497437692606274
Energy: 0.364809301586285
Energy: 0.5496135833099209
Energy: 0.35676254664939294
Energy: 0.549613583310548
Energy: 0.5700433618697424
Energy: 0.5989091290731878
Energy: 0.35499000544674836
Energy: 0.5989091290738148
Energy: 0.49799501507079885
Energy: 0.49724929002543233
Energy: 0.35314202056720506
Energy: 0.49724929002605933
Energy: 0.4962471389196119
Energy: 0.5499715800906191
Energy: 0.35714362943473976
Energy: 0.549971580089992
Energy: 0.36471003180877404
Energy: 0.5923096790374203
Energy: 0.3563115815597622
Energy: 0.5923096790355392
Energy: 0.49070194307616644
Energy: 0.5956148714477696
Energy: 0.3551179527233422
Energy: 0.5956148714490237
Energy: 0.3546076496395956
Energy: 0.5095607138457022
Energy: 0.4485478323951621
Energy: 0.5095607138482104
Energy: 0.35278488448076784
Energy: 0.5495710960506609
Energy: 0.3570494874671523
Energy: 0.5495710960494067
Energy: 0.35665997277648287
Energy: 0.5924195963302265
Energy: 0.4438589653604024
Energy: 0.5924195963295994
Energy: 0.3507635366071045
Energy: 0.5647279165635051
Energy: 0.35678525780476583
Energy: 0.5647279165653863
Energy: 0.3578935374779289
Energy: 0.5484250932319341
Energy: 0.43926404213873077
Energy: 0.5484250932331881
Energy: 0.3527415016237009
Energy: 0.5506492182386644
Energy: 0.36715604123030493
Energy: 0.5506492182355289

minimum gb energy = 0.35064418687566906 eV
minimum distance =  2.46062023495098 Angstroms
sigma value = 15


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

Energy: 0.4531114725372883
Energy: 0.5389659558655339
Energy: 0.6893953046506106
Energy: 0.5389659558639401
Energy: 0.5313183090974822
Energy: 0.49459465292696514
Energy: 0.33488049979945345
Energy: 0.49459465292962124
Energy: 0.34378054385964446
Energy: 0.4456080021255824
Energy: 0.5907612314735265
Energy: 0.44560800212398866
Energy: 0.47350242286916333
Energy: 0.4971759960687703
Energy: 0.3348875014179685
Energy: 0.4971759960677079
Energy: 0.3330441959448728
Energy: 0.540123374143722
Energy: 0.3608168568188294
Energy: 0.5401233741453156
Energy: 0.44368979668610165
Energy: 0.4951878331886618
Energy: 0.3348395033140207
Energy: 0.4951878331902554
Energy: 0.3344981955720247
Energy: 0.44996239056992726
Energy: 0.3577184380364947
Energy: 0.4499623905704585
Energy: 0.38578086132798145
Energy: 0.45026191834170537
Energy: 0.3347277052330874
Energy: 0.45026191834064294
Energy: 0.33580042804601573
Energy: 0.5417725111744888
Energy: 0.4740893739059008
Energy: 0.5417725111728952
Energy: 0.32733234513267406
Energy: 0.49479585502559614
Energy: 0.33338118554465196
Energy: 0.49479585502453377
Energy: 0.3344210944567451
Energy: 0.49513712854268843
Energy: 0.5282386668208858
Energy: 0.49513712854321973
Energy: 0.3313923976432047
Energy: 0.44565537031394553
Energy: 0.34403069844537276
Energy: 0.4456553703134143
Energy: 0.3357070939233283
Energy: 0.5422936648876227
Energy: 0.6340378063842301
Energy: 0.5422936648886851
Energy: 0.3290291445885401
Energy: 0.538686076447717
Energy: 0.4535222630464262
Energy: 0.5386860764461233
Energy: 0.3344485720570673
Energy: 0.4950028350347558
Energy: 0.5840502802573903
Energy: 0.4950028350347558
Energy: 0.4087463274134965
Energy: 0.4457263836630734
Energy: 0.3440485293345372
Energy: 0.4457263836641358
Energy: 0.33570603125132675
Energy: 0.5424668240710528
Energy: 0.580547452783266
Energy: 0.5424668240726466
Energy: 0.41147227533343106
Energy: 0.5401832490048102
Energy: 0.33342871598490714
Energy: 0.5401832490042788
Energy: 0.33447821529491817
Energy: 0.49502160596213707
Energy: 0.4427354994815763
Energy: 0.4950216059616059
Energy: 0.40790877450641155
Energy: 0.4588440018205956
Energy: 0.33481675673511374
Energy: 0.45884400182112683
Energy: 0.3357179427368193
Energy: 0.503404789623879
Energy: 0.4451776849710814
Energy: 0.5034047896254727
Energy: 0.4028627251510707
Energy: 0.5426635192211537
Energy: 0.3374132534014837
Energy: 0.5426635192185458
Energy: 0.3344801116602484
Energy: 0.49474789852245005
Energy: 0.32720790116798026
Energy: 0.49474789852245005
Energy: 0.5192571013877141
Energy: 0.4955358646448448
Energy: 0.33474455513484325
Energy: 0.49553586464590726
Energy: 0.3451265250637108
Energy: 0.5035450930402088
Energy: 0.331952806280624
Energy: 0.5035450930402088
Energy: 0.5171229524568624
Energy: 0.5425907533717707
Energy: 0.33713069787954814
Energy: 0.5425907533733643
Energy: 0.4544480013926527
Energy: 0.5363472239465008
Energy: 0.3289691347106151
Energy: 0.536347223944376
Energy: 0.5839515268397129
Energy: 0.49466151983616496
Energy: 0.3347768765454679
Energy: 0.4946615198377586
Energy: 0.34509573311000297
Energy: 0.5473450861364085
Energy: 0.3318123878397568
Energy: 0.5473450861395958
Energy: 0.4455588650806029
Energy: 0.5420006588766799
Energy: 0.33731522333131414
Energy: 0.5420006588766799
Energy: 0.3345672691550163
Energy: 0.5446899469207187
Energy: 0.4113509477405347
Energy: 0.5446899469196563
Energy: 0.44252858646200527
Energy: 0.49477759663611603
Energy: 0.33480785173384503
Energy: 0.4947775966350536
Energy: 0.33581157660520317
Energy: 0.5474222526807546
Energy: 0.40781691572567325
Energy: 0.5474222526802234
Energy: 0.3280467992165278
Energy: 0.50396837387421
Energy: 0.33733783590496597
Energy: 0.50396837387421
Energy: 0.3300926138707798
Energy: 0.5374139793847474
Energy: 0.4027850221560468
Energy: 0.5374139793874035
Energy: 0.32723514935528725
Energy: 0.49858054741430047
Energy: 0.33610729724609345
Energy: 0.49858054741217567
Energy: 0.33581855357926294
Energy: 0.5473502690125985
Energy: 0.5191687281083012
Energy: 0.5473502690115363

minimum gb energy = 0.32720790116798026 eV
minimum distance =  2.55405192573472 Angstroms
sigma value = 85


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

Energy: 0.42306259208952846
Energy: 0.49797498937282236
Energy: 0.6804298964121923
Energy: 0.4979749893723617
Energy: 0.536247708878081
Energy: 0.45505830774216033
Energy: 0.30423662444840505
Energy: 0.4550583077412389
Energy: 0.4067649420299041
Energy: 0.4073720127721253
Energy: 0.3710199382145824
Energy: 0.4073720127721253
Energy: 0.48924261444523204
Energy: 0.45509951421679523
Energy: 0.3042428255415614
Energy: 0.4550995142149523
Energy: 0.3162650969594237
Energy: 0.3974286180132636
Energy: 0.3523604198521549
Energy: 0.39742861801280294
Energy: 0.4541705298802577
Energy: 0.456914535667828
Energy: 0.3043264550596928
Energy: 0.45691453566644585
Energy: 0.30249979212070477
Energy: 0.41486802091236336
Energy: 0.34669153381704026
Energy: 0.4148680209142062
Energy: 0.3941173870956973
Energy: 0.4551551446847478
Energy: 0.3041804265957738
Energy: 0.45515514468520857
Energy: 0.3038409744729869
Energy: 0.4018482092536815
Energy: 0.44432513727970585
Energy: 0.4018482092536815
Energy: 0.34503708089380397
Energy: 0.4148833906850996
Energy: 0.30289777725251565
Energy: 0.4148833906846389
Energy: 0.30516186711581783
Energy: 0.45586501403151497
Energy: 0.44307453910790945
Energy: 0.4558650140333579
Energy: 0.2954483137569119
Energy: 0.45510098822277645
Energy: 0.31657345521066776
Energy: 0.45510098822277645
Energy: 0.3039680551763136
Energy: 0.4017160979933144
Energy: 0.531571021847178
Energy: 0.40171609799239294
Energy: 0.2984801788880008
Energy: 0.40730606758036453
Energy: 0.40717733780913845
Energy: 0.4073060675812859
Energy: 0.3050920963689702
Energy: 0.45501660671837374
Energy: 0.5658987932029861
Energy: 0.4550166067188345
Energy: 0.2964955482967904
Energy: 0.4982356814871744
Energy: 0.4234153721767233
Energy: 0.49823568148625297
Energy: 0.304017454870994
Energy: 0.40172893091075684
Energy: 0.6115297906733198
Energy: 0.4017289309098354
Energy: 0.3715561299703375
Energy: 0.40739982339560205
Energy: 0.4072107386767025
Energy: 0.40739982339606273
Energy: 0.30516315829274243
Energy: 0.45510049083036297
Energy: 0.5133771308501076
Energy: 0.45510049083128434
Energy: 0.3685958541091582
Energy: 0.5071949719957101
Energy: 0.31668679728338106
Energy: 0.5071949719938881
Energy: 0.3040385092360983
Energy: 0.4017468318776032
Energy: 0.5119697282621791
Energy: 0.40174683187852456
Energy: 0.3661528215563887
Energy: 0.41599742356830904
Energy: 0.3028567260995813
Energy: 0.41599742356830904
Energy: 0.30515438274550133
Energy: 0.45514199004932343
Energy: 0.3944289328955659
Energy: 0.4551419900497841
Energy: 0.3620606806058999
Energy: 0.5050217367122489
Energy: 0.3042099605871133
Energy: 0.5050217367122489
Energy: 0.30395226923830054
Energy: 0.36206691968209226
Energy: 0.3720630777204226
Energy: 0.3620669196816315
Energy: 0.460110695744426
Energy: 0.45496074523753416
Energy: 0.30494356391528654
Energy: 0.45496074523845564
Energy: 0.31750128372682485
Energy: 0.4550595217615772
Energy: 0.29544459412668905
Energy: 0.45505952176065584
Energy: 0.4620773509257923
Energy: 0.5054253909661499
Energy: 0.3042551241328144
Energy: 0.5054253909656892
Energy: 0.4083255036600204
Energy: 0.40761590683288756
Energy: 0.3016048087099842
Energy: 0.4076159068319661
Energy: 0.5656833335286918
Energy: 0.4550485723410949
Energy: 0.3047120357223597
Energy: 0.4550485723410949
Energy: 0.42443129870010216
Energy: 0.49431162124003464
Energy: 0.2965360915574433
Energy: 0.4943116212404953
Energy: 0.5207965468182885
Energy: 0.505326723013105
Energy: 0.3043581525487594
Energy: 0.505326723013105
Energy: 0.40808993584443093
Energy: 0.40755489457188826
Energy: 0.30238129634547184
Energy: 0.40755489457188826
Energy: 0.5133139288665798
Energy: 0.45510854906717746
Energy: 0.30486219665680714
Energy: 0.45510854906671677
Energy: 0.31762130116329185
Energy: 0.5032657651333678
Energy: 0.36855245750349896
Energy: 0.5032657651338285
Energy: 0.3973541517207501
Energy: 0.5028861796346805
Energy: 0.3043359025657136
Energy: 0.502886179635602
Energy: 0.3039474844188458
Energy: 0.4160970192303702
Energy: 0.3658838147034168
Energy: 0.4160970192294697
Energy: 0.3942572206830063
Energy: 0.4552063414545732
Energy: 0.3040992488835172
Energy: 0.4552063414545732
Energy: 0.3051232282422503
Energy: 0.503108463893378
Energy: 0.36197823853790806
Energy: 0.5031084638929174
Energy: 0.29558024538021144
Energy: 0.4724285250459174
Energy: 0.30559235885609387
Energy: 0.47242852504545674
Energy: 0.3042438926612954
Energy: 0.45514249438821874
Energy: 0.46007019793717757
Energy: 0.45514249438821874
Energy: 0.29530392218842366
Energy: 0.4549491049128686
Energy: 0.31895757992043133
Energy: 0.45494910491148643
Energy: 0.3052217234589931
Energy: 0.5031585661185206
Energy: 0.4619704816281871
Energy: 0.5031585661189812

minimum gb energy = 0.29530392218842366 eV
minimum distance =  2.54199067366435 Angstroms
sigma value = 113


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

Energy: 0.011906675557390818
Energy: 0.01235205258662212
Energy: 0.6961793928113433
Energy: 0.01235205258626794
Energy: 0.4664453138702111
Energy: 0.17415777634194587
Energy: 0.17401635079091354
Energy: 0.17415777634298873
Energy: 0.011906675557056313
Energy: 0.01235205258626794
Energy: 0.6961793928127404
Energy: 0.01235205258662212
Energy: 0.4664453138705653
Energy: 0.17415777634194587
Energy: 0.17401635079193675
Energy: 0.17415777634263457
Energy: 0.011906675557056313
Energy: 0.01235205258662212
Energy: 0.6961793928120518
Energy: 0.01235205258662212
Energy: 0.4664453138702111
Energy: 0.17415777634194587
Energy: 0.1740163507895165
Energy: 0.17415777634263457

minimum gb energy = 0.011906675557056313 eV
minimum distance =  2.84228714630661 Angstroms
sigma value = 1