model_name=EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000
a1=[1, 0, 0]
a2=[0, 1, 0]
a3=[0, 0, 1]
species=Al
theta_min=0.0
theta_max=90.0
max_denominator=15
short_name=fcc
cutoff_distance=0.5
x_repeat=1
z_repeat=1
min_cell_height=10.0
offset_top=[0.0, 0.0, 0.0]
offset_bottom=[0.0, 0.0, 0.0]
a=4.03203821182251
cohesive_energy=3.36023026856906
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.010418366436190329
Energy: 0.010418366439159383
Energy: 0.01041836643966356
Energy: 0.01041836643966356
Energy: 0.010418366437674855
Energy: 0.010418366439159383
Energy: 0.010418366439159383
Energy: 0.010418366438655204
Energy: 0.010418366438179035
Energy: 0.010418366437674855
Energy: 0.010418366443584954
Energy: 0.010418366438179035
Energy: 0.010418366438655204
Energy: 0.010418366438179035
Energy: 0.010418366439159383
Energy: 0.2979959883041641
Energy: 0.01041836643966356
Energy: 0.010418366441120076
Energy: 0.010418366438179035
Energy: 0.010418366439159383
Energy: 0.01041836643966356
Energy: 0.010418366440139732
Energy: 0.010418366438655204
Energy: 0.010418366439159383
Energy: 0.010418366438179035
Energy: 0.010418366438655204
Energy: 0.010418366439159383
Energy: 0.010418366438179035
Energy: 0.010418366438655204
Energy: 0.010418366436694507
   minimum gb energy = 0.010418366436190329 eV
   minimum distance = 2.85098292547826 Angstroms
   sigma value = 1

========================================
theta = 7.628149668580709
========================================

Energy: 0.4751832601766007
Energy: 0.43383847710775086
Energy: 0.43383794506847206
Energy: 0.4344713330070947
Energy: 0.43381663681319604
Energy: 0.43381640075347255
Energy: 0.4283342642444587
Energy: 0.47833918169404815
Energy: 0.4783401849484244
Energy: 0.44487854166017676
Energy: 0.42104780315101703
Energy: 0.421047453023774
Energy: 0.44834673906511685
Energy: 0.4341862864080373
Energy: 0.4341861522081287
Energy: 0.39861446414000906
Energy: 0.4448996007103762
Energy: 0.4449007051739401
Energy: 0.44363844281014636
Energy: 0.43418624240926995
Energy: 0.4341862336196165
Energy: 0.4450987402704425
Energy: 0.46628531172966925
Energy: 0.46628538940549846
Energy: 0.4386293277135828
Energy: 0.49643996875722046
Energy: 0.4964399196694303
Energy: 0.46509686268043543
Energy: 0.4528350119531145
Energy: 0.4528345242246357
   minimum gb energy = 0.39861446414000906 eV
   minimum distance = 2.58251710145076 Angstroms
   sigma value = 113

========================================
theta = 8.171233559949753
========================================

Energy: 0.48911939334341237
Energy: 0.452422992541798
Energy: 0.45242308042689117
Energy: 0.4115110268987622
Energy: 0.45411490556912465
Energy: 0.4541150249062702
Energy: 0.4260749275921687
Energy: 0.45285228150540857
Energy: 0.4528572807651892
Energy: 0.43390683385914863
Energy: 0.4545870535138152
Energy: 0.4545873958403035
Energy: 0.4119883559341511
Energy: 0.45239720714879383
Energy: 0.45239706660641593
Energy: 0.47777737793729824
Energy: 0.4545865840222832
Energy: 0.4545871728109524
Energy: 0.41405488924635864
Energy: 0.45285431981167173
Energy: 0.45285353337315826
Energy: 0.41903311224523393
Energy: 0.4545868716261258
Energy: 0.45458674989221776
Energy: 0.45251227621143847
Energy: 0.4528520774319481
Energy: 0.4528508959373399
Energy: 0.42207549340865874
Energy: 0.4672175609711311
Energy: 0.467209064410889
   minimum gb energy = 0.4115110268987622 eV
   minimum distance = 2.63187324333235 Angstroms
   sigma value = 197

========================================
theta = 8.797410709991064
========================================

Energy: 0.5116847535086245
Energy: 0.46539902090173313
Energy: 0.46539921664585887
Energy: 0.4407590769554466
Energy: 0.4642218556428755
Energy: 0.4642218314355431
Energy: 0.48713537040583804
Energy: 0.4508036876487025
Energy: 0.4508036373020776
Energy: 0.448388394951657
Energy: 0.5164302126509851
Energy: 0.5164300944593129
Energy: 0.4781244822979378
Energy: 0.4529062638313245
Energy: 0.45290327615979564
Energy: 0.4251095999951338
Energy: 0.47871172647067917
Energy: 0.4787082732743469
Energy: 0.4622170792182104
Energy: 0.4529019488683952
Energy: 0.4529001497982323
Energy: 0.4619612779612867
Energy: 0.5274206119234248
Energy: 0.5274206345015477
Energy: 0.5111193657322259
Energy: 0.45290365026525264
Energy: 0.4529024233606391
Energy: 0.439463880482136
Energy: 0.4787082853683889
Energy: 0.4787076797824082
   minimum gb energy = 0.4251095999951338 eV
   minimum distance = 2.63374474198111 Angstroms
   sigma value = 169

========================================
theta = 9.527283381452357
========================================

Energy: 0.5172403450594399
Energy: 0.48214863961028315
Energy: 0.4821485739219877
Energy: 0.46596644622279715
Energy: 0.5275176469029756
Energy: 0.527517751823222
Energy: 0.48315186145375427
Energy: 0.4769607881573711
Energy: 0.47696110702944405
Energy: 0.4793573419984963
Energy: 0.4833626623615842
Energy: 0.48336247541241906
Energy: 0.48001121851194767
Energy: 0.5348866749818697
Energy: 0.5348884065206196
Energy: 0.5017751785840215
Energy: 0.48420811452455076
Energy: 0.4842084289493083
Energy: 0.47999212395632507
Energy: 0.5692335711631276
Energy: 0.5692341716567312
Energy: 0.4453992611626243
Energy: 0.482786475979915
Energy: 0.48278633513905933
Energy: 0.49224319073388156
Energy: 0.47404858405837064
Energy: 0.4740488861454053
Energy: 0.47209676800802164
Energy: 0.5020428596810981
Energy: 0.5020439353451733
   minimum gb energy = 0.4453992611626243 eV
   minimum distance = 2.58420349463416 Angstroms
   sigma value = 145

========================================
theta = 10.388857815469612
========================================

Energy: 0.532907199487845
Energy: 0.507116369757875
Energy: 0.5071162527119408
Energy: 0.5010178385142994
Energy: 0.5301117039612879
Energy: 0.5301142988297086
Energy: 0.47865924898973994
Energy: 0.4923819187350786
Energy: 0.4923818613715762
Energy: 0.47063266187118225
Energy: 0.5556375129223361
Energy: 0.5556269665241829
Energy: 0.5386575995318956
Energy: 0.5107958341908595
Energy: 0.510794702307463
Energy: 0.4507789549942987
Energy: 0.5070248918277017
Energy: 0.507024848876557
Energy: 0.5181391795944598
Energy: 0.48654000390398733
Energy: 0.4865404757740515
Energy: 0.5181391348994265
Energy: 0.47321628853203723
Energy: 0.4732163423207914
Energy: 0.4651616543982356
Energy: 0.49138421981110103
Energy: 0.4913842811254561
Energy: 0.5001456691654619
Energy: 0.4912123913922924
Energy: 0.491212663214372
   minimum gb energy = 0.4507789549942987 eV
   minimum distance = 2.56721270703411 Angstroms
   sigma value = 61

========================================
theta = 11.421186274999284
========================================

Energy: 0.5463053114330496
Energy: 0.515679767109933
Energy: 0.5156801700590123
Energy: 0.5113661247672808
Energy: 0.5166473010545027
Energy: 0.5166474243833225
Energy: 0.5041984284178019
Energy: 0.5648742410746086
Energy: 0.5648741974462722
Energy: 0.4883217765313319
Energy: 0.5528367155504774
Energy: 0.5528367176490029
Energy: 0.528800345809916
Energy: 0.5192693815080094
Energy: 0.519269413485091
Energy: 0.52350424324009
Energy: 0.5391518233067899
Energy: 0.5390885103189996
Energy: 0.491965980704344
Energy: 0.5390664736702138
Energy: 0.5391282321069367
Energy: 0.502081888862808
Energy: 0.5192706927340652
Energy: 0.5192694702360893
Energy: 0.5041983654923214
Energy: 0.5903127772494114
Energy: 0.5903127065632804
Energy: 0.5261387832402732
Energy: 0.5156798141449449
Energy: 0.5156797304954847
   minimum gb energy = 0.4883217765313319 eV
   minimum distance = 2.60007346645051 Angstroms
   sigma value = 101

========================================
theta = 12.68038349181982
========================================

Energy: 0.5425449528896178
Energy: 0.5412152485169192
Energy: 0.5412149710207963
Energy: 0.5140345417373489
Energy: 0.541965966075227
Energy: 0.5419659692601637
Energy: 0.4913250343171568
Energy: 0.5419659866264187
Energy: 0.5419659486806632
Energy: 0.4898549298751703
Energy: 0.5419660024238618
Energy: 0.5419659881832536
Energy: 0.5062382362505742
Energy: 0.541136042934666
Energy: 0.5411362461592137
Energy: 0.4910918062565856
Energy: 0.5411363416160084
Energy: 0.5411363075141611
Energy: 0.5306950736976835
Energy: 0.5419660401645271
Energy: 0.5419659800361126
Energy: 0.4913250410804831
Energy: 0.5419659392525492
Energy: 0.5419659645036932
Energy: 0.5170184934061139
Energy: 0.541965951686047
Energy: 0.5419660015004608
Energy: 0.5523555385540876
Energy: 0.5412153336401146
Energy: 0.5412153707375469
   minimum gb energy = 0.4898549298751703 eV
   minimum distance = 2.60305440102936 Angstroms
   sigma value = 81

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

Energy: 0.5551567137123736
Energy: 0.555620396314335
Energy: 0.5556202719154203
Energy: 0.5329262181297924
Energy: 0.5202871870776526
Energy: 0.5202871708872697
Energy: 0.5861368934836283
Energy: 0.5261861772464907
Energy: 0.526186127547087
Energy: 0.5951144082366221
Energy: 0.52593574806097
Energy: 0.5259347619299086
Energy: 0.5431204945230498
Energy: 0.5404924204062749
Energy: 0.540493053643045
Energy: 0.543120261366762
Energy: 0.5404928676949887
Energy: 0.5404928910790621
Energy: 0.5951101155866695
Energy: 0.5321161801508074
Energy: 0.5321160009037992
Energy: 0.561258026617175
Energy: 0.526187613845053
Energy: 0.5261877037001893
Energy: 0.5329263225257308
Energy: 0.5202870791032267
Energy: 0.5202873520307773
Energy: 0.5610716476999228
Energy: 0.536833228751417
Energy: 0.53683314085451
   minimum gb energy = 0.5202870791032267 eV
   minimum distance = 2.52155259750254 Angstroms
   sigma value = 1

========================================
theta = 15.18928673718289
========================================

Energy: 0.5754878157087533
Energy: 0.5611104238097636
Energy: 0.5611102894869188
Energy: 0.5931601577945086
Energy: 0.5356563439647286
Energy: 0.5356562280858069
Energy: 0.5673262158039437
Energy: 0.5564304231021755
Energy: 0.5564397437493986
Energy: 0.5418100951666773
Energy: 0.5623195903363698
Energy: 0.562319671557972
Energy: 0.5500779983043402
Energy: 0.6099790094708073
Energy: 0.6099788946797996
Energy: 0.5480037933668859
Energy: 0.5428979959889068
Energy: 0.5428934519434592
Energy: 0.5522553744013063
Energy: 0.5768547170013953
Energy: 0.576854703558085
Energy: 0.5468766373884144
Energy: 0.6028348976320744
Energy: 0.6028348161248636
Energy: 0.5153307337486056
Energy: 0.570701133310194
Energy: 0.5707030556667133
Energy: 0.5828169687479264
Energy: 0.5751336987079162
Energy: 0.5751335821129585
   minimum gb energy = 0.5153307337486056 eV
   minimum distance = 2.52382028862267 Angstroms
   sigma value = 229

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

Energy: 0.5917815495520536
Energy: 0.5688899804908675
Energy: 0.5688900335743616
Energy: 0.6370617738131518
Energy: 0.5472335069539066
Energy: 0.5472335871683531
Energy: 0.5885401560614687
Energy: 0.5696280175707424
Energy: 0.5696279335820922
Energy: 0.5300076880193616
Energy: 0.5929012626265421
Energy: 0.5929013115051704
Energy: 0.5402222461974847
Energy: 0.5795133020724232
Energy: 0.5795134091160418
Energy: 0.5254004936530497
Energy: 0.5675298709536348
Energy: 0.5675298094798984
Energy: 0.5343061246571714
Energy: 0.6300757709144124
Energy: 0.6300756099266726
Energy: 0.5180027344370036
Energy: 0.5696279631430057
Energy: 0.5696279764990767
Energy: 0.5516430881478113
Energy: 0.558271180358905
Energy: 0.5582711804460198
Energy: 0.5734618279108457
Energy: 0.5688899858030323
Energy: 0.5688900241778468
   minimum gb energy = 0.5180027344370036 eV
   minimum distance = 2.52161239603185 Angstroms
   sigma value = 25

========================================
theta = 17.49232452511042
========================================

Energy: 0.5941190843938992
Energy: 0.5673192723940012
Energy: 0.567317529049967
Energy: 0.5304572960419104
Energy: 0.5972021375023194
Energy: 0.5972030644454257
Energy: 0.5528324262078913
Energy: 0.6032964296235727
Energy: 0.6032999259292632
Energy: 0.5375381791561643
Energy: 0.5674397245668105
Energy: 0.5674394861097701
Energy: 0.5698156170765367
Energy: 0.5676974473936807
Energy: 0.5676977387353779
Energy: 0.5733222679098883
Energy: 0.5950677966995428
Energy: 0.5948448516007488
Energy: 0.5764811835885149
Energy: 0.5622284659451221
Energy: 0.5622285148935068
Energy: 0.5618091008001158
Energy: 0.5627420488776822
Energy: 0.5627460397386653
Energy: 0.5579462851188802
Energy: 0.608594005532236
Energy: 0.6085941306840922
Energy: 0.5543721515273853
Energy: 0.593334586068386
Energy: 0.5934111510176462
   minimum gb energy = 0.5304572960419104 eV
   minimum distance = 2.53336890318977 Angstroms
   sigma value = 173

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

Energy: 0.5833090907286906
Energy: 0.6172320593404799
Energy: 0.6172319518218091
Energy: 0.5761783499890752
Energy: 0.5554441255382195
Energy: 0.555443894014806
Energy: 0.6062263545942771
Energy: 0.6203565730086658
Energy: 0.620356577278629
Energy: 0.6053706609044919
Energy: 0.6197841447062131
Energy: 0.6197838562515724
Energy: 0.5554459021323288
Energy: 0.5957410476167622
Energy: 0.5957403581557382
Energy: 0.5531974182137112
Energy: 0.554807606422647
Energy: 0.5548076505415536
Energy: 0.613998348859246
Energy: 0.5899103573284984
Energy: 0.5899103477986493
Energy: 0.5494092216803633
Energy: 0.5993618026760356
Energy: 0.5993618033962088
Energy: 0.5921399922763533
Energy: 0.5532038554525844
Energy: 0.5531998532652366
Energy: 0.5760833926473329
Energy: 0.5652945532556553
Energy: 0.5652945610009024
   minimum gb energy = 0.5494092216803633 eV
   minimum distance = 2.5223032197559 Angstroms
   sigma value = 9

========================================
theta = 20.609692937532067
========================================

Energy: 0.6290919219394926
Energy: 0.6134318681407239
Energy: 0.6134319278315948
Energy: 0.572004926352969
Energy: 0.7292728731147069
Energy: 0.7292729032362548
Energy: 0.5919524695025891
Energy: 0.5756667617148645
Energy: 0.5756667583220868
Energy: 0.610156727661278
Energy: 0.6077051780696322
Energy: 0.6077051786007326
Energy: 0.5774802260814104
Energy: 0.5756666508908569
Energy: 0.5756666555392839
Energy: 0.5974881214649502
Energy: 0.596673920590066
Energy: 0.5966738565469328
Energy: 0.568897852842827
Energy: 0.5806320207525686
Energy: 0.5806210892739524
Energy: 0.6076077932480108
Energy: 0.5638490154611001
Energy: 0.5638490110251013
Energy: 0.5939165590512359
Energy: 0.5745538215843733
Energy: 0.5745543564385858
Energy: 0.6222196071027094
Energy: 0.57588198922838
Energy: 0.5758819892301438
   minimum gb energy = 0.5638490110251013 eV
   minimum distance = 2.51654317731039 Angstroms
   sigma value = 31

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

Energy: 0.5894267762187343
Energy: 0.5676271735028037
Energy: 0.5676271735047371
Energy: 0.5739073439483799
Energy: 0.5656449911513683
Energy: 0.5656449911455675
Energy: 0.6427768319632066
Energy: 0.6517222263280659
Energy: 0.6517222263280659
Energy: 0.6044495291583183
Energy: 0.5569972862069715
Energy: 0.5569973489536395
Energy: 0.5877171026259692
Energy: 0.6019446744272863
Energy: 0.6019446816557685
Energy: 0.5588274762950516
Energy: 0.565644991148468
Energy: 0.5656449912634737
Energy: 0.5396716525578646
Energy: 0.56762717350087
Energy: 0.5676271735839712
Energy: 0.5396716670157959
Energy: 0.5588275008815459
Energy: 0.5588273777567684
Energy: 0.5840233060159273
Energy: 0.6076979246987131
Energy: 0.6076979378868356
Energy: 0.584023254528477
Energy: 0.6076979239120865
Energy: 0.6076979290464285
   minimum gb energy = 0.5396716525578646 eV
   minimum distance = 2.54108806166526 Angstroms
   sigma value = 25

========================================
theta = 24.189514154024202
========================================

Energy: 0.6248835104919844
Energy: 0.6045734244275529
Energy: 0.6045733363481052
Energy: 0.6073866520297156
Energy: 0.586385890319748
Energy: 0.5863855615738601
Energy: 0.6396882249776846
Energy: 0.5739095226892862
Energy: 0.5739098515859185
Energy: 0.5920772146415194
Energy: 0.6050948096412324
Energy: 0.6050948453900818
Energy: 0.5876409338774982
Energy: 0.5972858722486716
Energy: 0.5972861105806987
Energy: 0.6470793762019919
Energy: 0.5876594650701992
Energy: 0.5876522629267785
Energy: 0.5698755698062504
Energy: 0.6057631426949576
Energy: 0.6057631460604497
Energy: 0.6065795145163232
Energy: 0.6221106134007311
Energy: 0.6221106820628914
Energy: 0.6033734955020555
Energy: 0.5865372265891232
Energy: 0.5865780795373892
Energy: 0.555540445879963
Energy: 0.6057631292708008
Energy: 0.605763185542012
   minimum gb energy = 0.555540445879963 eV
   minimum distance = 2.5051092501041 Angstroms
   sigma value = 205

========================================
theta = 25.057615418303023
========================================

Energy: 0.6409803054817
Energy: 0.6064150088618304
Energy: 0.6064148505852681
Energy: 0.5803121594961753
Energy: 0.644622728442694
Energy: 0.644622735758499
Energy: 0.6200266660052212
Energy: 0.6251576219668
Energy: 0.6251587245695248
Energy: 0.6019869518982693
Energy: 0.58515024200466
Energy: 0.5851502795163596
Energy: 0.6094135647894934
Energy: 0.6097474973542015
Energy: 0.6097478558894146
Energy: 0.6614227672925382
Energy: 0.593425507012269
Energy: 0.5934255060106666
Energy: 0.6012029331467347
Energy: 0.6013246767109373
Energy: 0.6013246857257964
Energy: 0.5685422358028192
Energy: 0.5801993128988865
Energy: 0.5801986011223949
Energy: 0.646380795658242
Energy: 0.5884739138857067
Energy: 0.5884739138782209
Energy: 0.6055913564114711
Energy: 0.6184214118267115
Energy: 0.6184214150751992
   minimum gb energy = 0.5685422358028192 eV
   minimum distance = 2.49729147803207 Angstroms
   sigma value = 85

========================================
theta = 25.98923358383301
========================================

Energy: 0.6323362092682956
Energy: 0.5913269739884871
Energy: 0.5913269619957813
Energy: 0.5689656204469188
Energy: 0.5910102962885342
Energy: 0.5910102913911426
Energy: 0.6066109764404116
Energy: 0.5934024915874615
Energy: 0.5934024691768603
Energy: 0.6019684374219738
Energy: 0.608967723026027
Energy: 0.6089674252730137
Energy: 0.6120274280854623
Energy: 0.6260267927704077
Energy: 0.6260259514045053
Energy: 0.6045743962140514
Energy: 0.6188747697700692
Energy: 0.6188747743897308
Energy: 0.6339418983864689
Energy: 0.5951755717760381
Energy: 0.5951755793540877
Energy: 0.6236962432710366
Energy: 0.6206262538235479
Energy: 0.6206262521116525
Energy: 0.6181250130416805
Energy: 0.5886108016553513
Energy: 0.5886108520786161
Energy: 0.5524963778202588
Energy: 0.6124582586892049
Energy: 0.6124582585920599
   minimum gb energy = 0.5524963778202588 eV
   minimum distance = 2.50323013490987 Angstroms
   sigma value = 89

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

Energy: 0.5711937864452274
Energy: 0.6150868287931351
Energy: 0.6150868250237714
Energy: 0.7155374629492276
Energy: 0.5412337083787152
Energy: 0.5412337104546181
Energy: 0.7116082879796729
Energy: 0.6150868250249671
Energy: 0.6150868250285539
Energy: 0.5412337057148021
Energy: 0.5907596514396426
Energy: 0.5907594355563275
Energy: 0.6697298783555525
Energy: 0.6131801159213447
Energy: 0.6131801159440619
Energy: 0.5412337307774542
Energy: 0.6063015135833697
Energy: 0.6063018105644177
Energy: 0.6306051156315543
Energy: 0.6860001251112479
Energy: 0.6860001253765441
Energy: 0.5933523930337089
Energy: 0.6063262588537324
Energy: 0.6063039085259347
Energy: 0.5888624704020524
Energy: 0.615086826840329
Energy: 0.6150868250189888
Energy: 0.555792733579247
Energy: 0.5412337172535976
Energy: 0.5412337150259029
   minimum gb energy = 0.5412337057148021 eV
   minimum distance = 2.61509354034471 Angstroms
   sigma value = 17

========================================
theta = 29.86283435627511
========================================

Energy: 0.6309172878689621
Energy: 0.5987102893627595
Energy: 0.5987102400505724
Energy: 0.598725071129676
Energy: 0.6329850872044207
Energy: 0.6329867017040408
Energy: 0.618441227668558
Energy: 0.6107148921099099
Energy: 0.6107148280415494
Energy: 0.6069465657834985
Energy: 0.603177808645082
Energy: 0.6031778990113722
Energy: 0.617728923974019
Energy: 0.638189882681831
Energy: 0.6381905272404794
Energy: 0.6267051075250917
Energy: 0.6267096493809756
Energy: 0.6267102178197477
Energy: 0.5999972607357873
Energy: 0.5978798296063947
Energy: 0.5978797155583214
Energy: 0.5993917093139954
Energy: 0.6019712036618997
Energy: 0.6019674915616954
Energy: 0.642341846173213
Energy: 0.6214429113061649
Energy: 0.6214493792479263
Energy: 0.5803514216463842
Energy: 0.6034638267054869
Energy: 0.6034635996250483
   minimum gb energy = 0.5803514216463842 eV
   minimum distance = 2.50385888739028 Angstroms
   sigma value = 241

========================================
theta = 30.510237406115554
========================================

Energy: 0.6247216644690988
Energy: 0.6163888834703911
Energy: 0.6163891657256478
Energy: 0.5935621491016887
Energy: 0.6361518984986826
Energy: 0.6361525675684933
Energy: 0.6685967220506962
Energy: 0.6255820430775441
Energy: 0.6255821654161143
Energy: 0.5820738980195167
Energy: 0.6163889135606261
Energy: 0.6163888781835761
Energy: 0.6075960500172815
Energy: 0.6163890039760959
Energy: 0.6163888795540048
Energy: 0.6742514990582991
Energy: 0.6701571222282544
Energy: 0.6701586807152354
Energy: 0.6074497893295203
Energy: 0.6100590667919374
Energy: 0.6100590654271295
Energy: 0.5819587706876332
Energy: 0.6163888780889465
Energy: 0.61638888127925
Energy: 0.6075960481174383
Energy: 0.6274077795566856
Energy: 0.6274077642157302
Energy: 0.658378885650586
Energy: 0.6285585628504988
Energy: 0.6285586791515657
   minimum gb energy = 0.5819587706876332 eV
   minimum distance = 2.50448960908423 Angstroms
   sigma value = 65

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

Energy: 0.6037965957627579
Energy: 0.5972046895689943
Energy: 0.5972047072165924
Energy: 0.5960899466587573
Energy: 0.5828825276311013
Energy: 0.5828826460403623
Energy: 0.5816378264217201
Energy: 0.6063377863106137
Energy: 0.6063386108923547
Energy: 0.6003271017179537
Energy: 0.5753488010903194
Energy: 0.5753488010666191
Energy: 0.7240775562617452
Energy: 0.6037964752782684
Energy: 0.6037964746833276
Energy: 0.7048051984170359
Energy: 0.6147608942474994
Energy: 0.6147608928572422
Energy: 0.5816379000152259
Energy: 0.6063378193937966
Energy: 0.6063377279137808
Energy: 0.5884890298727435
Energy: 0.590399836083876
Energy: 0.5903998247432215
Energy: 0.6035433007858991
Energy: 0.5972047407661185
Energy: 0.5972047050310189
Energy: 0.5826179946444423
Energy: 0.658396483629486
Energy: 0.6583922056313913
   minimum gb energy = 0.5753488010666191 eV
   minimum distance = 2.58693202401607 Angstroms
   sigma value = 53

========================================
theta = 33.39848846798724
========================================

Energy: 0.6222905982190237
Energy: 0.5803266467053336
Energy: 0.5803266381852382
Energy: 0.6809840181625879
Energy: 0.6355938489087399
Energy: 0.6355940054566296
Energy: 0.5828449512524326
Energy: 0.6308823410395962
Energy: 0.6308823437317556
Energy: 0.574708080137675
Energy: 0.6640907599074949
Energy: 0.6640907608575727
Energy: 0.7348052249516865
Energy: 0.6431617502248208
Energy: 0.6431617472613056
Energy: 0.5760001815752861
Energy: 0.6692006471671189
Energy: 0.6692006471463644
Energy: 0.5827521225227552
Energy: 0.6212794706005489
Energy: 0.6212794287491279
Energy: 0.6547749607837507
Energy: 0.6077160634971795
Energy: 0.6077162526708011
Energy: 0.6220104944072773
Energy: 0.5803266376665436
Energy: 0.580326638961166
Energy: 0.694824905754872
Energy: 0.6173855793972308
Energy: 0.6173855794147016
   minimum gb energy = 0.574708080137675 eV
   minimum distance = 2.54235434582586 Angstroms
   sigma value = 109

========================================
theta = 34.20545793810475
========================================

Energy: 0.6259698086089844
Energy: 0.6219527806789692
Energy: 0.62195332830733
Energy: 0.5816920046559144
Energy: 0.6231530866108068
Energy: 0.6231537025948203
Energy: 0.6091590253255016
Energy: 0.6051457213033514
Energy: 0.6051481305181444
Energy: 0.5709707480539358
Energy: 0.6170841265428391
Energy: 0.6170844529320277
Energy: 0.7080074550321688
Energy: 0.6259697193026109
Energy: 0.6259693071048489
Energy: 0.5709708074894849
Energy: 0.6170842239085481
Energy: 0.6170841593322144
Energy: 0.6091582884568902
Energy: 0.6049691072035556
Energy: 0.6049690769954292
Energy: 0.5816920047040863
Energy: 0.6231533988681349
Energy: 0.6231531433114974
Energy: 0.6259696413269455
Energy: 0.6219528671142714
Energy: 0.6219527274942338
Energy: 0.5816920056101594
Energy: 0.6231531025204147
Energy: 0.6231534122602177
   minimum gb energy = 0.5709707480539358 eV
   minimum distance = 2.49930723557916 Angstroms
   sigma value = 185

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

Energy: 0.5130885442158217
Energy: 0.5130885075662316
Energy: 0.5130885149194981
Energy: 0.6175411506503539
Energy: 0.5147000984328309
Energy: 0.514700098629149
Energy: 0.5244633750341754
Energy: 0.5692903318059542
Energy: 0.5692904046704429
Energy: 0.6035030299318584
Energy: 0.5147000984156826
Energy: 0.514700098409447
Energy: 0.5130885152373769
Energy: 0.5130885062448312
Energy: 0.5130885102292277
Energy: 0.6175410718178442
Energy: 0.5147000993708778
Energy: 0.514700108779479
Energy: 0.5244634177484044
Energy: 0.5692904324926624
Energy: 0.569290632418441
Energy: 0.6404102336900998
Energy: 0.5438876035888873
Energy: 0.5438876212000143
Energy: 0.5130885061715971
Energy: 0.5130765301139509
Energy: 0.5130765410589778
Energy: 0.6175411028266813
Energy: 0.5438876051081649
Energy: 0.543887603618507
   minimum gb energy = 0.5130765301139509 eV
   minimum distance = 2.59139217614579 Angstroms
   sigma value = 9

========================================
theta = 39.30764811610662
========================================

Energy: 0.6104225533140896
Energy: 0.5850221207259619
Energy: 0.5850223447904201
Energy: 0.6966823151954358
Energy: 0.6350799162909107
Energy: 0.6350800116065756
Energy: 0.5875318521261192
Energy: 0.5982067578799922
Energy: 0.5982136777877499
Energy: 0.6099658983134753
Energy: 0.6022926421587125
Energy: 0.6022903493219555
Energy: 0.5917071941544823
Energy: 0.6517025050413365
Energy: 0.6517000398444656
Energy: 0.5900691176010283
Energy: 0.593600050653813
Energy: 0.5935997879364002
Energy: 0.73910621730218
Energy: 0.622239163011353
Energy: 0.6222391116474224
Energy: 0.6025467293142607
Energy: 0.6261570424343694
Energy: 0.6261580895714389
Energy: 0.7056704484605069
Energy: 0.5944707867416501
Energy: 0.5944755770336296
Energy: 0.6246175265810666
Energy: 0.5981144485061899
Energy: 0.5981123531336049
   minimum gb energy = 0.5850221207259619 eV
   minimum distance = 2.52109889827506 Angstroms
   sigma value = 221

========================================
theta = 39.96621304379996
========================================

Energy: 0.6047564722609127
Energy: 0.6074522017961913
Energy: 0.6074521880058238
Energy: 0.5517407373591076
Energy: 0.6083746141595782
Energy: 0.6083777033810347
Energy: 0.5418624127032526
Energy: 0.5998020850414632
Energy: 0.5998025505208038
Energy: 0.5624969731743116
Energy: 0.6387786372530843
Energy: 0.6387786651091542
Energy: 0.6059320620408752
Energy: 0.6043355116619146
Energy: 0.6044927994281232
Energy: 0.6764313214898932
Energy: 0.596721682860218
Energy: 0.596609458431623
Energy: 0.7409056842741146
Energy: 0.5418624101082857
Energy: 0.5418624104467588
Energy: 0.6624849613456175
Energy: 0.5367319079955776
Energy: 0.5367319214799026
Energy: 0.6978170634763328
Energy: 0.60892459448316
Energy: 0.6089243832880697
Energy: 0.6564957151363838
Energy: 0.5983075062616523
Energy: 0.5983075924403933
   minimum gb energy = 0.5367319079955776 eV
   minimum distance = 2.57468462865666 Angstroms
   sigma value = 137

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

Energy: 0.5568419730927776
Energy: 0.6340424091555401
Energy: 0.6340420104148496
Energy: 0.7292012258697733
Energy: 0.5845421014914317
Energy: 0.5845404557824381
Energy: 0.6527103763989461
Energy: 0.6461943179211291
Energy: 0.6461943484340408
Energy: 0.572350327165401
Energy: 0.6466579014854058
Energy: 0.6466576432118681
Energy: 0.64448360092518
Energy: 0.6268787077185727
Energy: 0.6268708678399781
Energy: 0.5723503273286087
Energy: 0.583927811029643
Energy: 0.583927185622392
Energy: 0.7358015851025165
Energy: 0.6566409677066789
Energy: 0.6566422987041703
Energy: 0.5726282202062642
Energy: 0.6182375142575242
Energy: 0.6182375144501581
Energy: 0.6846706737342969
Energy: 0.5764085732665791
Energy: 0.5764085766663762
Energy: 0.573951289841953
Energy: 0.5764045563433694
Energy: 0.5764045515691973
   minimum gb energy = 0.5568419730927776 eV
   minimum distance = 2.56877539145384 Angstroms
   sigma value = 73

========================================
theta = 42.075022050843636
========================================

Energy: 0.6003336498265994
Energy: 0.605610149242167
Energy: 0.6056109716160682
Energy: 0.6034877843094418
Energy: 0.6088837925235957
Energy: 0.6088834262233462
Energy: 0.6136589099789926
Energy: 0.6336446771057008
Energy: 0.6336445413528378
Energy: 0.5460930936866355
Energy: 0.6056102345710094
Energy: 0.6056107435808512
Energy: 0.6161592366143863
Energy: 0.5952234656080257
Energy: 0.5952242336376854
Energy: 0.5651377911943567
Energy: 0.6070119458191158
Energy: 0.6070112224108024
Energy: 0.5622962035620758
Energy: 0.6331704766340494
Energy: 0.6331703429058578
Energy: 0.6000198324561234
Energy: 0.6024042005700189
Energy: 0.6024041877636057
Energy: 0.5864488010644678
Energy: 0.591621933552263
Energy: 0.5916225049618524
Energy: 0.6000179463847918
Energy: 0.6266583844617434
Energy: 0.6266583845066932
   minimum gb energy = 0.5460930936866355 eV
   minimum distance = 2.54936860894231 Angstroms
   sigma value = 97

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

Energy: 0.5796410333563936
Energy: 0.5938707805965983
Energy: 0.5938706403058551
Energy: 0.579719421068717
Energy: 0.5689217107949829
Energy: 0.5689213789409854
Energy: 0.6041038442478521
Energy: 0.5983947524746726
Energy: 0.598394814072337
Energy: 0.5765279497644117
Energy: 0.5952358372851259
Energy: 0.5952358372887875
Energy: 0.7274181758345234
Energy: 0.53723837032036
Energy: 0.537238370257216
Energy: 0.642620502043321
Energy: 0.6072361950114051
Energy: 0.6072361940973051
Energy: 0.6301324820414682
Energy: 0.5553362519068504
Energy: 0.5553362519068504
Energy: 0.6153926310134464
Energy: 0.593434810029585
Energy: 0.593434876809029
Energy: 0.5796427488537915
Energy: 0.6254747507620586
Energy: 0.6254754504607665
Energy: 0.5906330288343642
Energy: 0.6078934178382196
Energy: 0.6078934165883018
   minimum gb energy = 0.537238370257216 eV
   minimum distance = 2.49684954723122 Angstroms
   sigma value = 7

========================================
theta = 45.23972989608085
========================================

Energy: 0.5540249280075501
Energy: 0.5596241961185274
Energy: 0.5596262132635077
Energy: 0.5668909678815329
Energy: 0.6206828110897034
Energy: 0.6206810422544006
Energy: 0.6792446508708596
Energy: 0.6104902621544904
Energy: 0.6104912187476454
Energy: 0.5921666832314266
Energy: 0.5951450139057706
Energy: 0.5951476755670165
Energy: 0.5786657443170861
Energy: 0.6846965524689906
Energy: 0.6847136874351789
Energy: 0.5774466830822171
Energy: 0.6103346050282681
Energy: 0.6103346049805219
Energy: 0.6160155367438729
Energy: 0.5462932941022064
Energy: 0.5462932941071362
Energy: 0.7388430633676859
Energy: 0.5636921845405916
Energy: 0.5636907933782236
Energy: 0.6157165980684226
Energy: 0.5932722994001136
Energy: 0.5932723115673915
Energy: 0.582742309458803
Energy: 0.6064469306632772
Energy: 0.6064471507004938
   minimum gb energy = 0.5462932941022064 eV
   minimum distance = 2.4950693423527 Angstroms
   sigma value = 169

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

Energy: 0.5455557789627637
Energy: 0.5570498907781252
Energy: 0.5570499151274643
Energy: 0.629924250523231
Energy: 0.5414260236890825
Energy: 0.5414260121830967
Energy: 0.6144219526427765
Energy: 0.6123602056400423
Energy: 0.6123595856773016
Energy: 0.5730860945319438
Energy: 0.6251774801687295
Energy: 0.6251591217400215
Energy: 0.5455550228268058
Energy: 0.6123595622551428
Energy: 0.6123605993934241
Energy: 0.6501475036253138
Energy: 0.5782420946463478
Energy: 0.5782420941966747
Energy: 0.567620233514517
Energy: 0.5983843656345942
Energy: 0.5983843753981449
Energy: 0.573087770280729
Energy: 0.5822223842353448
Energy: 0.5822223745701555
Energy: 0.7106813652793893
Energy: 0.5922346169332126
Energy: 0.5922348040929293
Energy: 0.5743972539104334
Energy: 0.5889885551343721
Energy: 0.5889892494042029
   minimum gb energy = 0.5414260121830967 eV
   minimum distance = 2.56538493937418 Angstroms
   sigma value = 29

========================================
theta = 47.92497794915637
========================================

Energy: 0.5476934273788132
Energy: 0.5574777511610459
Energy: 0.5574779930853544
Energy: 0.5841052432934194
Energy: 0.5885857396880907
Energy: 0.588584850671965
Energy: 0.6772930467072018
Energy: 0.5649430890847965
Energy: 0.5649430658920357
Energy: 0.5736958085158489
Energy: 0.5755510921475792
Energy: 0.5755509232512315
Energy: 0.5850545663435432
Energy: 0.6479415705047767
Energy: 0.6479480287081346
Energy: 0.6349238472840149
Energy: 0.6057283916052938
Energy: 0.6057283916713196
Energy: 0.5544649775684343
Energy: 0.6270436930064816
Energy: 0.6270436929724903
Energy: 0.5850537727025448
Energy: 0.6957175876639198
Energy: 0.6957784144823537
Energy: 0.6034420506474364
Energy: 0.608461703480984
Energy: 0.6084620024810351
Energy: 0.6988467276134961
Energy: 0.6290994263207448
Energy: 0.6290993626357322
   minimum gb energy = 0.5476934273788132 eV
   minimum distance = 2.5021479895625 Angstroms
   sigma value = 97

========================================
theta = 48.88790956083307
========================================

Energy: 0.5650993551587039
Energy: 0.5556085271923649
Energy: 0.5556086600834904
Energy: 0.5907036798306777
Energy: 0.5867720738520947
Energy: 0.5867728856140636
Energy: 0.5817532362928862
Energy: 0.5606837409262558
Energy: 0.5606837408357194
Energy: 0.5837747989469513
Energy: 0.5695260047029895
Energy: 0.5695259787880285
Energy: 0.6650153811415167
Energy: 0.5567198542154387
Energy: 0.5567197633713264
Energy: 0.6000570937941819
Energy: 0.6425392015253213
Energy: 0.6425392473955625
Energy: 0.5540255133118381
Energy: 0.5954433195247569
Energy: 0.59543510701031
Energy: 0.5885365791181908
Energy: 0.5489106923518153
Energy: 0.5489134310948838
Energy: 0.6005313802568768
Energy: 0.6257681944269425
Energy: 0.6257716989895247
Energy: 0.5540255136017884
Energy: 0.5915598898506749
Energy: 0.5915599165894029
   minimum gb energy = 0.5489106923518153 eV
   minimum distance = 2.56839771040521 Angstroms
   sigma value = 73

========================================
theta = 49.55028113766384
========================================

Energy: 0.5554862680727596
Energy: 0.5515276545650488
Energy: 0.5515244981748108
Energy: 0.6926347379459085
Energy: 0.5553402736978256
Energy: 0.5553394859919539
Energy: 0.5646863645294882
Energy: 0.5823286165550091
Energy: 0.5823297886481765
Energy: 0.6672194301898079
Energy: 0.55152531288694
Energy: 0.5515253582477293
Energy: 0.5706256597396382
Energy: 0.5815174166884054
Energy: 0.5815169609693362
Energy: 0.6274912503679178
Energy: 0.5449138771935519
Energy: 0.5449139110860142
Energy: 0.5825360627723741
Energy: 0.593978495413624
Energy: 0.5939784974613528
Energy: 0.5906917690272993
Energy: 0.5492352066493572
Energy: 0.5492354156014941
Energy: 0.5876690438587784
Energy: 0.5453709901609168
Energy: 0.5453759851016768
Energy: 0.6479442374429039
Energy: 0.5719998343646918
Energy: 0.5719991846429302
   minimum gb energy = 0.5449138771935519 eV
   minimum distance = 2.55906395889941 Angstroms
   sigma value = 205

========================================
theta = 50.033786956200046
========================================

Energy: 0.548089349289433
Energy: 0.550853107890159
Energy: 0.5508517502203384
Energy: 0.5602595767457578
Energy: 0.5761697592513899
Energy: 0.5761699557829422
Energy: 0.5700087162004545
Energy: 0.5796396069919242
Energy: 0.5796376098938489
Energy: 0.5822390930559436
Energy: 0.5950473967949876
Energy: 0.5950457589739684
Energy: 0.5884120172152951
Energy: 0.5889195028416254
Energy: 0.5889195026680792
Energy: 0.6177761845459077
Energy: 0.5707634233704474
Energy: 0.5707633789061399
Energy: 0.6607928487501809
Energy: 0.5544273132922054
Energy: 0.5544267772105677
Energy: 0.6880746801865932
Energy: 0.5423119133198069
Energy: 0.5423091993715671
Energy: 0.6006169380335201
Energy: 0.5431145107858509
Energy: 0.5431144931090263
Energy: 0.6547382840151003
Energy: 0.5550162200182537
Energy: 0.5550197271210237
   minimum gb energy = 0.5423091993715671 eV
   minimum distance = 2.56250548225664 Angstroms
   sigma value = 137

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

Energy: 0.49499393257620555
Energy: 0.5259980622384131
Energy: 0.525998070940948
Energy: 0.5850066837569381
Energy: 0.4949939327057789
Energy: 0.4949939466241929
Energy: 0.5762563801019693
Energy: 0.49511784682333976
Energy: 0.4951177813335245
Energy: 0.4949939362307907
Energy: 0.47083348629602584
Energy: 0.47083349464574137
Energy: 0.4949939479726127
Energy: 0.49499393259494506
Energy: 0.49499395042330796
Energy: 0.4949939326229291
Energy: 0.4951177739177043
Energy: 0.4951177650602676
Energy: 0.560210160572202
Energy: 0.5125554002812208
Energy: 0.5125554105571752
Energy: 0.4949939325678379
Energy: 0.4949939342426212
Energy: 0.4949939325275028
Energy: 0.49499393253962837
Energy: 0.49499396786009464
Energy: 0.49499393252399543
Energy: 0.4708334863356845
Energy: 0.5125553993880615
Energy: 0.5125554012413714
   minimum gb energy = 0.47083348629602584 eV
   minimum distance = 2.60256687681525 Angstroms
   sigma value = 5

========================================
theta = 56.144973871705915
========================================

Energy: 0.5213720081013197
Energy: 0.5431716408078291
Energy: 0.5431716385208734
Energy: 0.5188798284937879
Energy: 0.5774996869907462
Energy: 0.5774996887362468
Energy: 0.5195592023291706
Energy: 0.5831214141676863
Energy: 0.5831227722589349
Energy: 0.5166536706907957
Energy: 0.5718336496334008
Energy: 0.571833766210493
Energy: 0.6138779779331786
Energy: 0.5454033868374273
Energy: 0.5454041591743909
Energy: 0.557602965627373
Energy: 0.5176226416660484
Energy: 0.5176226608142518
Energy: 0.5173923680682972
Energy: 0.5218323830633012
Energy: 0.5218323748771746
Energy: 0.5369127841037503
Energy: 0.5194024080892474
Energy: 0.5194024086092436
Energy: 0.5437313669587448
Energy: 0.5606928375487162
Energy: 0.5606928545525837
Energy: 0.5310771746750914
Energy: 0.616983902812184
Energy: 0.6169966572305835
   minimum gb energy = 0.5166536706907957 eV
   minimum distance = 2.5601172006512 Angstroms
   sigma value = 289

========================================
theta = 56.60151153201276
========================================

Energy: 0.5258961363412348
Energy: 0.546071408689439
Energy: 0.5460716295786662
Energy: 0.51703256171821
Energy: 0.5179096250770622
Energy: 0.5179096250099817
Energy: 0.5742222524754631
Energy: 0.5163130602363066
Energy: 0.5163130491328767
Energy: 0.5472427333055374
Energy: 0.5711278873785042
Energy: 0.5711260083162111
Energy: 0.5219955593430419
Energy: 0.5778956872990021
Energy: 0.5778946976309253
Energy: 0.5179521879636424
Energy: 0.5485227071805797
Energy: 0.5485231621032285
Energy: 0.5194838358973772
Energy: 0.5832910792948973
Energy: 0.5832942195349808
Energy: 0.5296248479084327
Energy: 0.5920831065258588
Energy: 0.5920836328991862
Energy: 0.5476594609183733
Energy: 0.5202359467580221
Energy: 0.520236475623678
Energy: 0.5325299435892302
Energy: 0.5166671557110181
Energy: 0.5166669880988469
   minimum gb energy = 0.5163130491328767 eV
   minimum distance = 2.5760713137408 Angstroms
   sigma value = 109

========================================
theta = 57.22091933193044
========================================

Energy: 0.5228458084933514
Energy: 0.5504621295817635
Energy: 0.5504587651315955
Energy: 0.5310007813746833
Energy: 0.5454174153355554
Energy: 0.545417462277296
Energy: 0.5403647486822653
Energy: 0.547250529124797
Energy: 0.547241445620958
Energy: 0.515785331156543
Energy: 0.5538186010418131
Energy: 0.5538240356080739
Energy: 0.525923668207639
Energy: 0.578105281685488
Energy: 0.5781071072645024
Energy: 0.5989336721312787
Energy: 0.5126955417627899
Energy: 0.5126950790005464
Energy: 0.5184345399854554
Energy: 0.5922339241169726
Energy: 0.5922335363144335
Energy: 0.5211385216490626
Energy: 0.5912762569220066
Energy: 0.5912729875005075
Energy: 0.5534153097117849
Energy: 0.5157853279011032
Energy: 0.5157853278979916
Energy: 0.5154907177468723
Energy: 0.5906409010027683
Energy: 0.5906426690235055
   minimum gb energy = 0.5126950790005464 eV
   minimum distance = 2.55210342351357 Angstroms
   sigma value = 157

========================================
theta = 58.10920819815429
========================================

Energy: 0.5239276211112679
Energy: 0.5555797849290494
Energy: 0.5555797515107901
Energy: 0.5298301401842126
Energy: 0.5874561918904931
Energy: 0.5874560458564657
Energy: 0.5126401304699482
Energy: 0.5845771679514637
Energy: 0.584577166193064
Energy: 0.5438872695331469
Energy: 0.5231492369781442
Energy: 0.5231466595728866
Energy: 0.5865504304845452
Energy: 0.5947496995451841
Energy: 0.594748876372145
Energy: 0.6374096178678924
Energy: 0.5143614356302332
Energy: 0.5143618148373036
Energy: 0.5569452749670166
Energy: 0.5126400582983992
Energy: 0.5126401597214753
Energy: 0.5128476942850662
Energy: 0.5947507113008823
Energy: 0.5947492220417734
Energy: 0.5438871962775503
Energy: 0.5170403710192998
Energy: 0.5170403741436415
Energy: 0.5175706461825912
Energy: 0.5885163324638806
Energy: 0.5885185960771231
   minimum gb energy = 0.5126400582983992 eV
   minimum distance = 2.57704219532715 Angstroms
   sigma value = 53

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

Energy: 0.5246874615569942
Energy: 0.5377558211250887
Energy: 0.5377551667326287
Energy: 0.5597103552480566
Energy: 0.5159608541914404
Energy: 0.5159670054437883
Energy: 0.5203400154532313
Energy: 0.6777519803035057
Energy: 0.6777524744575607
Energy: 0.5237564939072475
Energy: 0.5190679488827287
Energy: 0.519067922362031
Energy: 0.5454078266066398
Energy: 0.6006397148640052
Energy: 0.6006378898721055
Energy: 0.7413102164356555
Energy: 0.5276954510355446
Energy: 0.5276954466594072
Energy: 0.5254084357923829
Energy: 0.6006430655382737
Energy: 0.6006416011611848
Energy: 0.6033721596303573
Energy: 0.5656615081905023
Energy: 0.5656588338528339
Energy: 0.5190697271174599
Energy: 0.677834853103398
Energy: 0.6778283091702094
Energy: 0.6032672697767003
Energy: 0.514614571633837
Energy: 0.5146125121196476
   minimum gb energy = 0.5146125121196476 eV
   minimum distance = 2.57667125883317 Angstroms
   sigma value = 1

========================================
theta = 60.512874327058526
========================================

Energy: 0.5319609935631293
Energy: 0.537674760715516
Energy: 0.5376751753885233
Energy: 0.5235400229260189
Energy: 0.5217576771705492
Energy: 0.5217576760018309
Energy: 0.530258533782974
Energy: 0.5221213258287905
Energy: 0.5221213623597502
Energy: 0.5186959884159752
Energy: 0.5852912337145134
Energy: 0.5852916137974679
Energy: 0.58753919000634
Energy: 0.5464135052590123
Energy: 0.5464135478935411
Energy: 0.5332182955183331
Energy: 0.6243409695161567
Energy: 0.6243462303138512
Energy: 0.5830801508419684
Energy: 0.5591594200016804
Energy: 0.5591581523586034
Energy: 0.5130642107197707
Energy: 0.6077765908504563
Energy: 0.6077790280365215
Energy: 0.5223179949077266
Energy: 0.6147117998208169
Energy: 0.6147118757631923
Energy: 0.5248897725710211
Energy: 0.5382572185758457
Energy: 0.5382549142484441
   minimum gb energy = 0.5130642107197707 eV
   minimum distance = 2.56032192534276 Angstroms
   sigma value = 3

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

Energy: 0.5157937935588212
Energy: 0.5157937912458562
Energy: 0.5157957218263858
Energy: 0.5008375965923771
Energy: 0.5365727194297741
Energy: 0.5365723710962312
Energy: 0.5106967895065437
Energy: 0.5157940315549714
Energy: 0.5157938419584995
Energy: 0.5008375964284183
Energy: 0.6068414657053344
Energy: 0.6068427471370412
Energy: 0.5157944052718711
Energy: 0.5199062604517771
Energy: 0.5198984896015887
Energy: 0.5562383413335643
Energy: 0.49908987671322813
Energy: 0.49908667271648444
Energy: 0.546419967805193
Energy: 0.4990900015858021
Energy: 0.49908669518605286
Energy: 0.5157938578660878
Energy: 0.5428538831533609
Energy: 0.5428525634695658
Energy: 0.5008375964943438
Energy: 0.566496890405835
Energy: 0.5664961526666589
Energy: 0.5106976542926632
Energy: 0.5157937914740304
Energy: 0.5157938489151103
   minimum gb energy = 0.49908667271648444 eV
   minimum distance = 2.56591274663163 Angstroms
   sigma value = 17

========================================
theta = 63.2150044924978
========================================

Energy: 0.5276657397425546
Energy: 0.529597571663879
Energy: 0.5295975716764744
Energy: 0.5159389729986392
Energy: 0.6356912027070697
Energy: 0.6356915332663529
Energy: 0.51782639384191
Energy: 0.5822157131698188
Energy: 0.5822158988815865
Energy: 0.556858593877712
Energy: 0.6304063203757373
Energy: 0.6304127443295835
Energy: 0.5833282672341495
Energy: 0.506677321651459
Energy: 0.5066755438186634
Energy: 0.5479557703932888
Energy: 0.5223452357670438
Energy: 0.5223448917725044
Energy: 0.5223491050854435
Energy: 0.5615496005791432
Energy: 0.5615497575251597
Energy: 0.5032447675723276
Energy: 0.6054366124766946
Energy: 0.6054364868328
Energy: 0.5125410451363455
Energy: 0.6695049426580073
Energy: 0.669504585741481
Energy: 0.5042928625940912
Energy: 0.6549070493708108
Energy: 0.65490592826405
   minimum gb energy = 0.5032447675723276 eV
   minimum distance = 2.55374434569841 Angstroms
   sigma value = 233

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

Energy: 0.5228625734263529
Energy: 0.6538952680085672
Energy: 0.6538953228072649
Energy: 0.5110947056309562
Energy: 0.567339921560443
Energy: 0.5673398903606415
Energy: 0.5130295069539591
Energy: 0.5116835175699836
Energy: 0.511683531746784
Energy: 0.510382969792397
Energy: 0.5783139535688578
Energy: 0.578315247616174
Energy: 0.5114863844455199
Energy: 0.5627759034159255
Energy: 0.5627750091746281
Energy: 0.5098143177391955
Energy: 0.6180146946373011
Energy: 0.6180281657783893
Energy: 0.5114921875306965
Energy: 0.5179083173025636
Energy: 0.5179082554331613
Energy: 0.5863895624634365
Energy: 0.525343314954843
Energy: 0.5253442252518021
Energy: 0.5045438205711414
Energy: 0.5130288768082939
Energy: 0.5130337975746344
Energy: 0.5068976652944011
Energy: 0.6778396787063249
Energy: 0.6778400731157068
   minimum gb energy = 0.5045438205711414 eV
   minimum distance = 2.49071549486066 Angstroms
   sigma value = 89

========================================
theta = 64.94238458169698
========================================

Energy: 0.5416242002936001
Energy: 0.5231012988352589
Energy: 0.5230917959625815
Energy: 0.6167333052567383
Energy: 0.5336795958899097
Energy: 0.5336770203172198
Energy: 0.5045666530837896
Energy: 0.6795803386224792
Energy: 0.6795837874647088
Energy: 0.5614484821969354
Energy: 0.4992625058598948
Energy: 0.4992673340272765
Energy: 0.4973401571891635
Energy: 0.6760441440828314
Energy: 0.6760405547667515
Energy: 0.6177358222616037
Energy: 0.5391776372985463
Energy: 0.5391773633099856
Energy: 0.5070146424383744
Energy: 0.6481931285972004
Energy: 0.6481871864073986
Energy: 0.6421702386865094
Energy: 0.5552701190662843
Energy: 0.5552702587789615
Energy: 0.5039877443721537
Energy: 0.6415238076287774
Energy: 0.6415228969781283
Energy: 0.624054920852812
Energy: 0.5550137396619771
Energy: 0.5550138506525979
   minimum gb energy = 0.4973401571891635 eV
   minimum distance = 2.49432167577712 Angstroms
   sigma value = 85

========================================
theta = 65.4704525442152
========================================

Energy: 0.5360643496737422
Energy: 0.6486530629814906
Energy: 0.6486489797959293
Energy: 0.5001135373035683
Energy: 0.6294234232543757
Energy: 0.6294222506029873
Energy: 0.49711300668688024
Energy: 0.5613665787276301
Energy: 0.5613642259568443
Energy: 0.5520395822148512
Energy: 0.5110976696112074
Energy: 0.5110994114322935
Energy: 0.4997721124334387
Energy: 0.5355244726485406
Energy: 0.5355274533385105
Energy: 0.5053958067692159
Energy: 0.5703572086434664
Energy: 0.570330305318911
Energy: 0.5026596453552568
Energy: 0.5518609894929308
Energy: 0.5518644224567699
Energy: 0.49767485092547165
Energy: 0.5759770913837137
Energy: 0.5759599696989885
Energy: 0.5278258454919286
Energy: 0.5301832028008374
Energy: 0.5301844665140049
Energy: 0.5836497253151577
Energy: 0.5490329528081505
Energy: 0.5490269776651716
   minimum gb energy = 0.49711300668688024 eV
   minimum distance = 2.51588457599121 Angstroms
   sigma value = 69

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

Energy: 0.4668354292466318
Energy: 0.466835272770921
Energy: 0.4668353210440717
Energy: 0.47574460343116143
Energy: 0.6086688194751161
Energy: 0.6086689450151143
Energy: 0.47048120284079914
Energy: 0.48087019255091884
Energy: 0.4808702858104045
Energy: 0.4757436403242902
Energy: 0.48087019236503276
Energy: 0.4808702861342913
Energy: 0.4757436357705776
Energy: 0.4808705656585608
Energy: 0.4808707546170153
Energy: 0.644349009739288
Energy: 0.47574364904356703
Energy: 0.4757438135579666
Energy: 0.4757436358006575
Energy: 0.5043421238541917
Energy: 0.5043418773593551
Energy: 0.4668352927446667
Energy: 0.5477584944620955
Energy: 0.5477584817658283
Energy: 0.46683538590574014
Energy: 0.4808708739892426
Energy: 0.48087055829225644
Energy: 0.4757437201180639
Energy: 0.4808703868598295
Energy: 0.4808706243470204
   minimum gb energy = 0.466835272770921 eV
   minimum distance = 2.58520200915847 Angstroms
   sigma value = 13

========================================
theta = 69.39030706246794
========================================

Energy: 0.5550961826980833
Energy: 0.572893111995706
Energy: 0.5728948710011806
Energy: 0.48045770833421675
Energy: 0.6082804162360479
Energy: 0.6082903142907631
Energy: 0.4842799217545344
Energy: 0.5799177329716019
Energy: 0.5799218965775716
Energy: 0.48329925648581845
Energy: 0.5796388824632246
Energy: 0.5796451563577706
Energy: 0.4777809867313272
Energy: 0.521513474596669
Energy: 0.521513215197529
Energy: 0.4762577453089072
Energy: 0.610930448278078
Energy: 0.6109348523354042
Energy: 0.4754426018317074
Energy: 0.5155899533650052
Energy: 0.5155898348331402
Energy: 0.6202821028102677
Energy: 0.5175621922594504
Energy: 0.5175630580469319
Energy: 0.540139446853081
Energy: 0.5502800829024818
Energy: 0.5502795174064974
Energy: 0.5830212945862394
Energy: 0.5135237216207205
Energy: 0.5135244559196395
   minimum gb energy = 0.4754426018317074 eV
   minimum distance = 2.50780191420849 Angstroms
   sigma value = 125

========================================
theta = 69.98404039711733
========================================

Energy: 0.4941879520480834
Energy: 0.5928390376678322
Energy: 0.5922455018866534
Energy: 0.48680548354472997
Energy: 0.4823722947744265
Energy: 0.48237194021969826
Energy: 0.4745525893815564
Energy: 0.5248821521037422
Energy: 0.5248804505270795
Energy: 0.4677587926140865
Energy: 0.6087107510571788
Energy: 0.6087115573977504
Energy: 0.5902233684914657
Energy: 0.47171653611737635
Energy: 0.47171653611495323
Energy: 0.4745513600182579
Energy: 0.5941689190962677
Energy: 0.5941516180224915
Energy: 0.47361040294285534
Energy: 0.5600136403660676
Energy: 0.5600139933912279
Energy: 0.6099682852411509
Energy: 0.47582635869207657
Energy: 0.47582672666800035
Energy: 0.47774804240294866
Energy: 0.6084519551660741
Energy: 0.6084543122057223
Energy: 0.46974613852155117
Energy: 0.5636431456899312
Energy: 0.5634958066414165
   minimum gb energy = 0.4677587926140865 eV
   minimum distance = 2.51504082026989 Angstroms
   sigma value = 37

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

Energy: 0.48293853213523613
Energy: 0.46903171258164406
Energy: 0.469031776028037
Energy: 0.4661248385797359
Energy: 0.528635596221991
Energy: 0.5286347281470657
Energy: 0.4692587505116092
Energy: 0.4727923969283647
Energy: 0.4727923965445889
Energy: 0.46903153270152037
Energy: 0.5299477457525875
Energy: 0.5299477443176679
Energy: 0.5314986837257201
Energy: 0.5371959447508359
Energy: 0.5371968594003735
Energy: 0.46612456686670733
Energy: 0.47279239633606895
Energy: 0.4727923961682371
Energy: 0.47240111490307574
Energy: 0.5666124739311197
Energy: 0.5666088062033361
Energy: 0.5943098209810121
Energy: 0.5371985626178202
Energy: 0.5371957812223518
Energy: 0.46850974032308335
Energy: 0.4676622122967351
Energy: 0.46766221751280845
Energy: 0.47240007580782084
Energy: 0.6140582303962291
Energy: 0.6140624493667951
   minimum gb energy = 0.46612456686670733 eV
   minimum distance = 2.52788385401623 Angstroms
   sigma value = 37

========================================
theta = 72.05474677020722
========================================

Energy: 0.5466627129032963
Energy: 0.538273729338166
Energy: 0.538273742723
Energy: 0.4591176202404418
Energy: 0.465059292312017
Energy: 0.46505938170824324
Energy: 0.45707560311421186
Energy: 0.6147975294067989
Energy: 0.6147976200594153
Energy: 0.4586690460433575
Energy: 0.5733168734648078
Energy: 0.573317081668705
Energy: 0.45563958788136855
Energy: 0.5008449166728437
Energy: 0.5008438271256778
Energy: 0.5399201576279784
Energy: 0.5435177564764347
Energy: 0.5435152507788423
Energy: 0.46142919485003425
Energy: 0.6466410230793422
Energy: 0.6466405760203521
Energy: 0.616533092870973
Energy: 0.460261475303021
Energy: 0.4602638550197454
Energy: 0.4640768266037098
Energy: 0.6341152491655233
Energy: 0.6340224487558057
Energy: 0.45707560078584875
Energy: 0.5369277957899032
Energy: 0.5369307403375603
   minimum gb energy = 0.45563958788136855 eV
   minimum distance = 2.56180302675806 Angstroms
   sigma value = 185

========================================
theta = 72.50767547488958
========================================

Energy: 0.5294158183620893
Energy: 0.6470157296880884
Energy: 0.6470179379773764
Energy: 0.46233463629749033
Energy: 0.5243395286455487
Energy: 0.5243320844331446
Energy: 0.5204791222870307
Energy: 0.5505531866133683
Energy: 0.5505555283722333
Energy: 0.46461973441072607
Energy: 0.5795376940840785
Energy: 0.5795375155913322
Energy: 0.524600176884169
Energy: 0.48743208203563215
Energy: 0.4874323645791688
Energy: 0.46050967316757985
Energy: 0.6303436115400516
Energy: 0.6303421232787273
Energy: 0.46082647636013535
Energy: 0.5766037396720775
Energy: 0.5766037388444767
Energy: 0.6291171270235466
Energy: 0.4927345200330002
Energy: 0.4927540587536911
Energy: 0.4631422763503417
Energy: 0.6630201520126074
Energy: 0.6630205089230742
Energy: 0.5204764485643576
Energy: 0.5505547441010534
Energy: 0.5505533383056787
   minimum gb energy = 0.46050967316757985 eV
   minimum distance = 2.50688710575155 Angstroms
   sigma value = 173

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

Energy: 0.44617721142751954
Energy: 0.6628365109534221
Energy: 0.6628365061658059
Energy: 0.4294692838168666
Energy: 0.6587746420168822
Energy: 0.6587746986729971
Energy: 0.4342662146511285
Energy: 0.6727806725064304
Energy: 0.6727792818313665
Energy: 0.43426630851329845
Energy: 0.6458760206049271
Energy: 0.6458760238541701
Energy: 0.4342662197511565
Energy: 0.6472158872678835
Energy: 0.6472166315030672
Energy: 0.43426625131121394
Energy: 0.5452965093160359
Energy: 0.5452965093061765
Energy: 0.4294584429978236
Energy: 0.587097855630594
Energy: 0.5870978628524088
Energy: 0.44617721175568403
Energy: 0.5452965095358131
Energy: 0.5452965096461947
Energy: 0.4294584172917097
Energy: 0.6734086585449937
Energy: 0.6734087374066515
Energy: 0.43426622362815837
Energy: 0.5452965095269395
Energy: 0.5452965092904236
   minimum gb energy = 0.4294584172917097 eV
   minimum distance = 2.52064431547904 Angstroms
   sigma value = 25

========================================
theta = 75.13718405765499
========================================

Energy: 0.5100464655270305
Energy: 0.6269739861375775
Energy: 0.6269723672079482
Energy: 0.4337896848588385
Energy: 0.6000554324088416
Energy: 0.6000552900753824
Energy: 0.5781041809206886
Energy: 0.4708876963742755
Energy: 0.4708920570775319
Energy: 0.4296946899371826
Energy: 0.5297159907405391
Energy: 0.5297181016448743
Energy: 0.43851481639635864
Energy: 0.5646391838867632
Energy: 0.5646348476458177
Energy: 0.44540598456510677
Energy: 0.6196114956638049
Energy: 0.6195753258273843
Energy: 0.43208142974092567
Energy: 0.503084097809059
Energy: 0.503084253167731
Energy: 0.6253181753283797
Energy: 0.4665797279203345
Energy: 0.4665819337467784
Energy: 0.43335952504527975
Energy: 0.5961789415382021
Energy: 0.5961790041628484
Energy: 0.4338173606856839
Energy: 0.5686859271687235
Energy: 0.5686848809602972
   minimum gb energy = 0.4296946899371826 eV
   minimum distance = 2.50559140874662 Angstroms
   sigma value = 269

========================================
theta = 75.74996730219641
========================================

Energy: 0.5224000614371522
Energy: 0.6053775004463788
Energy: 0.6053780010082789
Energy: 0.42047595472403826
Energy: 0.5255198011630424
Energy: 0.5255354910822763
Energy: 0.5050128506724072
Energy: 0.5127197011219912
Energy: 0.5127196597571598
Energy: 0.42888391007700294
Energy: 0.5616807384338504
Energy: 0.5616793771979147
Energy: 0.4288839108618289
Energy: 0.5335268085535168
Energy: 0.6260857900962985
Energy: 0.423294086073502
Energy: 0.570365026475588
Energy: 0.5703649775705789
Energy: 0.551119799498655
Energy: 0.42081465035036963
Energy: 0.42081525556749355
Energy: 0.5220857099825481
Energy: 0.5616798035198092
Energy: 0.5616826972067236
Energy: 0.42047231359051207
Energy: 0.5656184716524204
Energy: 0.5656188449688289
Energy: 0.42329933840216355
Energy: 0.6103981883976887
Energy: 0.6103982070944657
   minimum gb energy = 0.42047231359051207 eV
   minimum distance = 2.51025582501964 Angstroms
   sigma value = 65

========================================
theta = 76.31445317473812
========================================

Energy: 0.5443342674879201
Energy: 0.6658068584073075
Energy: 0.6658063092181298
Energy: 0.47149673042089707
Energy: 0.48409373775801023
Energy: 0.4840935983714624
Energy: 0.4256501485980914
Energy: 0.7070606646426795
Energy: 0.7070608543227904
Energy: 0.5619391012851076
Energy: 0.4215105441436909
Energy: 0.42151052215762197
Energy: 0.4247803323213627
Energy: 0.6695633830440381
Energy: 0.6695547926873269
Energy: 0.5988141346395355
Energy: 0.45132703133825436
Energy: 0.4513275690992392
Energy: 0.42348998599062654
Energy: 0.6652350840633454
Energy: 0.6652361431433368
Energy: 0.5981058532486857
Energy: 0.45132953368174944
Energy: 0.45132752541440463
Energy: 0.4234903138090997
Energy: 0.6274911974407534
Energy: 0.6274924073167079
Energy: 0.4773286079255501
Energy: 0.45075152564660237
Energy: 0.4507382242042545
   minimum gb energy = 0.42151052215762197 eV
   minimum distance = 2.51129165323078 Angstroms
   sigma value = 79

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

Energy: 0.42609108596790923
Energy: 0.5591025840038387
Energy: 0.5591025685234728
Energy: 0.404517923563151
Energy: 0.5635286227268583
Energy: 0.5635284324280505
Energy: 0.5046905463222914
Energy: 0.4072614686102882
Energy: 0.40726120908683827
Energy: 0.4072606054387964
Energy: 0.5738937677157117
Energy: 0.5738943352422933
Energy: 0.40726040496414717
Energy: 0.6203917536053568
Energy: 0.6203910517581717
Energy: 0.399478109801492
Energy: 0.5614576424924032
Energy: 0.5614576485387939
Energy: 0.40451791842558943
Energy: 0.40726047418952427
Energy: 0.4072605005521827
Energy: 0.4260910862865068
Energy: 0.6061465203088248
Energy: 0.6061433918383173
Energy: 0.40451885830946754
Energy: 0.5918511024285515
Energy: 0.5918495911618499
Energy: 0.39711481229872975
Energy: 0.4807345143515676
Energy: 0.48073450350850483
   minimum gb energy = 0.39711481229872975 eV
   minimum distance = 2.51297594751237 Angstroms
   sigma value = 41

========================================
theta = 78.57881372500071
========================================

Energy: 0.4800883156655808
Energy: 0.46874920541799137
Energy: 0.4687484875708143
Energy: 0.3859799106186964
Energy: 0.6143028005946988
Energy: 0.6142995565966624
Energy: 0.3892583029933395
Energy: 0.46973428267056716
Energy: 0.4697345325334864
Energy: 0.5510615303833619
Energy: 0.4335836342195585
Energy: 0.43358369310479633
Energy: 0.4620758334085759
Energy: 0.5735931746438807
Energy: 0.5735960446149572
Energy: 0.396159358396842
Energy: 0.6167863668239485
Energy: 0.6167856795780785
Energy: 0.3949574602480611
Energy: 0.5932033672960183
Energy: 0.593210426602921
Energy: 0.537456701920427
Energy: 0.5441374928672579
Energy: 0.5441367763042678
Energy: 0.43459223796595037
Energy: 0.3901289054882937
Energy: 0.3901287058517308
Energy: 0.3865661811408031
Energy: 0.5312967826653991
Energy: 0.5312971598660914
   minimum gb energy = 0.3859799106186964 eV
   minimum distance = 2.50892975413891 Angstroms
   sigma value = 101

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

Energy: 0.504648315862016
Energy: 0.5983766678282161
Energy: 0.5983772572706076
Energy: 0.455555710723391
Energy: 0.3779579504402539
Energy: 0.3779579217698343
Energy: 0.37397849924209303
Energy: 0.5598718271495291
Energy: 0.5598721579802326
Energy: 0.37266923771823546
Energy: 0.3846466810816227
Energy: 0.3846465998015331
Energy: 0.3739784599730212
Energy: 0.6394295101910827
Energy: 0.6394300264889909
Energy: 0.3739782978936079
Energy: 0.4440991021117532
Energy: 0.44409963882652825
Energy: 0.3725070186695287
Energy: 0.5674446988564967
Energy: 0.5674435070588616
Energy: 0.5041358983314475
Energy: 0.5598718284012646
Energy: 0.5598728406332051
Energy: 0.4969504215240905
Energy: 0.44409914416755664
Energy: 0.4440996193585403
Energy: 0.3739783770784342
Energy: 0.651670925522921
Energy: 0.6516707707223313
   minimum gb energy = 0.3725070186695287 eV
   minimum distance = 2.53744012968644 Angstroms
   sigma value = 15

========================================
theta = 80.47271661854764
========================================

Energy: 0.50894298977952
Energy: 0.5891335156839856
Energy: 0.5891352003239533
Energy: 0.4298128856903366
Energy: 0.44464462290986356
Energy: 0.4446446717488583
Energy: 0.36267686635566515
Energy: 0.5717210340991974
Energy: 0.5717163256563454
Energy: 0.38487961581855895
Energy: 0.6196799352349748
Energy: 0.6197262301952932
Energy: 0.5638740372661452
Energy: 0.39292517287843476
Energy: 0.39292410143090195
Energy: 0.36530720203583206
Energy: 0.5949004761001573
Energy: 0.5949004617666026
Energy: 0.35864645851151256
Energy: 0.4884388001067981
Energy: 0.48844266298035643
Energy: 0.5626827060205803
Energy: 0.4881237212386505
Energy: 0.48812345292661175
Energy: 0.365768885882122
Energy: 0.5721619248833276
Energy: 0.5721342192366438
Energy: 0.3581536709718328
Energy: 0.5017497885392234
Energy: 0.5017447930762666
   minimum gb energy = 0.3581536709718328 eV
   minimum distance = 2.51191410988195 Angstroms
   sigma value = 145

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

Energy: 0.4651985628681879
Energy: 0.5598501796800818
Energy: 0.5598499958478564
Energy: 0.35418910253911967
Energy: 0.5873042083531361
Energy: 0.5873043902623627
Energy: 0.3476496723852696
Energy: 0.45955085121204664
Energy: 0.45955063421975734
Energy: 0.40527409710189904
Energy: 0.4560418831071301
Energy: 0.45604188948656704
Energy: 0.34764985460127185
Energy: 0.45576205090373056
Energy: 0.45576150265233384
Energy: 0.34764974178180674
Energy: 0.58259838680655
Energy: 0.5825978651043496
Energy: 0.3541890909443504
Energy: 0.5598553367293613
Energy: 0.5598552967222352
Energy: 0.4649593864183031
Energy: 0.527679645940581
Energy: 0.5276790192788088
Energy: 0.4226699151181615
Energy: 0.45998198789770195
Energy: 0.4599805906923792
Energy: 0.39798473848681304
Energy: 0.34676628653072544
Energy: 0.34676633839452947
   minimum gb energy = 0.34676628653072544 eV
   minimum distance = 2.58734240990881 Angstroms
   sigma value = 85

========================================
theta = 81.82876644005026
========================================

Energy: 0.5021814050928706
Energy: 0.5498836128965586
Energy: 0.5498837452643158
Energy: 0.3391566639336446
Energy: 0.5842834192918189
Energy: 0.5842797034818135
Energy: 0.33971983728911126
Energy: 0.5458835646204901
Energy: 0.5458835233221173
Energy: 0.3929525363145624
Energy: 0.5611395833932354
Energy: 0.5611397148524117
Energy: 0.3929507747865183
Energy: 0.5345472483433381
Energy: 0.5345514062389384
Energy: 0.33810545670477027
Energy: 0.499327723514981
Energy: 0.4993288091783332
Energy: 0.3366950569650519
Energy: 0.45113788379970116
Energy: 0.4511380851006739
Energy: 0.5495795306430845
Energy: 0.469328276179105
Energy: 0.46932649757663786
Energy: 0.40890856405983295
Energy: 0.4438982650457154
Energy: 0.4438986028502703
Energy: 0.3366064244343721
Energy: 0.49703219636543566
Energy: 0.497032157976545
   minimum gb energy = 0.3366064244343721 eV
   minimum distance = 2.51522451346361 Angstroms
   sigma value = 197

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

Energy: 0.46760096797689266
Energy: 0.5364086189932922
Energy: 0.5364065224198276
Energy: 0.3662940829499974
Energy: 0.5320309335730316
Energy: 0.5320306522488399
Energy: 0.33925480705654554
Energy: 0.4878279517822975
Energy: 0.48782986106927656
Energy: 0.31668754152761985
Energy: 0.44922028780496337
Energy: 0.4492160889851682
Energy: 0.38492180066171366
Energy: 0.44969528357967836
Energy: 0.4496803215404343
Energy: 0.33925519418138256
Energy: 0.3814907867147233
Energy: 0.38149476929033355
Energy: 0.43688719910976925
Energy: 0.5229320411657528
Energy: 0.5229320168564913
Energy: 0.46760027543363597
Energy: 0.4932466862770314
Energy: 0.49324654184353683
Energy: 0.36629472932730406
Energy: 0.5286414477719404
Energy: 0.5286418346349053
Energy: 0.33040784005044166
Energy: 0.5274686492076044
Energy: 0.5274698621827105
   minimum gb energy = 0.31668754152761985 eV
   minimum distance = 2.60151569992393 Angstroms
   sigma value = 113

========================================
theta = 83.2670786731404
========================================

Energy: 0.4471527003932081
Energy: 0.5034969954049006
Energy: 0.5034962382990238
Energy: 0.467786161463369
Energy: 0.3503735540767981
Energy: 0.35037355407966386
Energy: 0.30394172893470833
Energy: 0.48530193129814087
Energy: 0.48530201146065344
Energy: 0.3039412718906713
Energy: 0.5017793364227678
Energy: 0.501778924014303
Energy: 0.2970363650766238
Energy: 0.3992852897982738
Energy: 0.3992852898486106
Energy: 0.31019271522975156
Energy: 0.49369989389322483
Energy: 0.49369989389731883
Energy: 0.43407493136324204
Energy: 0.3926796842091229
Energy: 0.39268558514275403
Energy: 0.4808905300130505
Energy: 0.5146943974525616
Energy: 0.5146902838430647
Energy: 0.3867058078022504
Energy: 0.5089601004512976
Energy: 0.5089605344943638
Energy: 0.3550835127329186
Energy: 0.3896407315890855
Energy: 0.3896410081294293
   minimum gb energy = 0.2970363650766238 eV
   minimum distance = 2.51903664366215 Angstroms
   sigma value = 145

========================================
theta = 83.97442499163331
========================================

Energy: 0.45304601735889966
Energy: 0.47769711943547055
Energy: 0.47769711901901146
Energy: 0.4079071383288361
Energy: 0.46341008392320093
Energy: 0.4634090471743867
Energy: 0.28483996705316866
Energy: 0.3359845401102391
Energy: 0.33598427880670384
Energy: 0.29365606786306786
Energy: 0.47383741133125656
Energy: 0.4738353876416697
Energy: 0.2854484303880123
Energy: 0.4772528219867921
Energy: 0.47724960964862884
Energy: 0.33309599595378164
Energy: 0.37047301753017053
Energy: 0.37048113618851636
Energy: 0.3043620176034846
Energy: 0.48604731742890145
Energy: 0.4860472538343361
Energy: 0.45212996900239344
Energy: 0.4812618684843101
Energy: 0.48126188112731977
Energy: 0.46624793681291643
Energy: 0.32574078997909506
Energy: 0.3257407139550461
Energy: 0.2936564489286901
Energy: 0.4881014922038077
Energy: 0.48810171827620435
   minimum gb energy = 0.28483996705316866 eV
   minimum distance = 2.61443547587569 Angstroms
   sigma value = 181

========================================
theta = 84.54737801218748
========================================

Energy: 0.4475235575685123
Energy: 0.4606269345978264
Energy: 0.4606149077926444
Energy: 0.36160275400597863
Energy: 0.5061670936631361
Energy: 0.5061666655821764
Energy: 0.27811898573300203
Energy: 0.48991279558253414
Energy: 0.48991152498263885
Energy: 0.27614952451185354
Energy: 0.45945507420559306
Energy: 0.45944797970998974
Energy: 0.27614953353429184
Energy: 0.45406649540044297
Energy: 0.4540623237230486
Energy: 0.27811962481313274
Energy: 0.4641226375262661
Energy: 0.46412343394921124
Energy: 0.3616155497958388
Energy: 0.4540633992602374
Energy: 0.45406235681304996
Energy: 0.47079202052661684
Energy: 0.43774794030478964
Energy: 0.43775986763638863
Energy: 0.36160487510776845
Energy: 0.4703775175579599
Energy: 0.4703775368146632
Energy: 0.28622533703731046
Energy: 0.4210538620009784
Energy: 0.4210524815013228
   minimum gb energy = 0.27614952451185354 eV
   minimum distance = 2.51180019590397 Angstroms
   sigma value = 55

========================================
theta = 85.02089415600169
========================================

Energy: 0.4075809181427545
Energy: 0.4366469797892147
Energy: 0.4366437636463174
Energy: 0.3289309004989676
Energy: 0.42520639330871746
Energy: 0.42520549268807784
Energy: 0.3464582026006308
Energy: 0.26778028098977685
Energy: 0.26778026207722194
Energy: 0.2570386248620079
Energy: 0.4398604332426082
Energy: 0.4398609021670419
Energy: 0.26814153313168265
Energy: 0.4418003638700847
Energy: 0.4418004524503277
Energy: 0.2616622434672814
Energy: 0.42903578035045026
Energy: 0.4290371552726383
Energy: 0.5536961687410792
Energy: 0.264408366958173
Energy: 0.2644082526767872
Energy: 0.45291001520207363
Energy: 0.43740989231963173
Energy: 0.4374093893474787
Energy: 0.32899143890896876
Energy: 0.4674884595653337
Energy: 0.4674876821305284
Energy: 0.261313729947154
Energy: 0.4352406637884197
Energy: 0.4352379054097936
   minimum gb energy = 0.2570386248620079 eV
   minimum distance = 2.60747885527303 Angstroms
   sigma value = 265

========================================
theta = 85.41877991472295
========================================

Energy: 0.43477916489806445
Energy: 0.4181994911797633
Energy: 0.4181983342585841
Energy: 0.4463426484407754
Energy: 0.3071028953629308
Energy: 0.3071027524239464
Energy: 0.25449164160420257
Energy: 0.41379887779041513
Energy: 0.41379898488833733
Energy: 0.24377950837640616
Energy: 0.3727808386672291
Energy: 0.3727819908630292
Energy: 0.254491641329863
Energy: 0.4207249061580007
Energy: 0.4207249059727771
Energy: 0.2491742453655807
Energy: 0.39523734828212814
Energy: 0.3952371619797558
Energy: 0.3100181672531772
Energy: 0.4265561793859957
Energy: 0.4265612582115627
Energy: 0.4314164160600981
Energy: 0.4098727167074281
Energy: 0.4098731079835282
Energy: 0.36683213319306335
Energy: 0.4177540012456629
Energy: 0.41774779612661467
Energy: 0.25158199083012167
Energy: 0.42012758500048897
Energy: 0.42012829123622686
   minimum gb energy = 0.24377950837640616 eV
   minimum distance = 2.60439242834294 Angstroms
   sigma value = 39

========================================
theta = 85.7578072066771
========================================

Energy: 0.41490948802139516
Energy: 0.4026466604516571
Energy: 0.40264646246865243
Energy: 0.2995836250649444
Energy: 0.4036186248198377
Energy: 0.40361238138203176
Energy: 0.2751375742584333
Energy: 0.39856763778875953
Energy: 0.39856709743378294
Energy: 0.23395034312532692
Energy: 0.3817842498291067
Energy: 0.3813597930645098
Energy: 0.23898628420240328
Energy: 0.4043934146902132
Energy: 0.4043947546496184
Energy: 0.2429889268048192
Energy: 0.4390108584311012
Energy: 0.4390108581708613
Energy: 0.29958359580570965
Energy: 0.3971326124762467
Energy: 0.3971339941062716
Energy: 0.44777517672441214
Energy: 0.386528919278907
Energy: 0.3865294956805622
Energy: 0.4245559214756551
Energy: 0.2917824192060398
Energy: 0.29178230578914305
Energy: 0.2865566546069942
Energy: 0.37256017057068425
Energy: 0.3725601714976864
   minimum gb energy = 0.23395034312532692 eV
   minimum distance = 2.56482551563225 Angstroms
   sigma value = 91

========================================
theta = 86.05013197823605
========================================

Energy: 0.3974639292694277
Energy: 0.3872787966155373
Energy: 0.3872787701168553
Energy: 0.29028898901506284
Energy: 0.3860594185273497
Energy: 0.3860544491778409
Energy: 0.23298318485958883
Energy: 0.3864267804031309
Energy: 0.38642435387104584
Energy: 0.22993308342861282
Energy: 0.3788210790908278
Energy: 0.37881967395561883
Energy: 0.22766366798245755
Energy: 0.3675162846917527
Energy: 0.3675159864100871
Energy: 0.4603872847214699
Energy: 0.2805492429515937
Energy: 0.28054951877157885
Energy: 0.37429430968384425
Energy: 0.30942211090089766
Energy: 0.3094190692487025
Energy: 0.42848366472768823
Energy: 0.3813482933014051
Energy: 0.38134711159405704
Energy: 0.3339521426304325
Energy: 0.39548865749957096
Energy: 0.3954892705999571
Energy: 0.23731622450635087
Energy: 0.4196162348907686
Energy: 0.41961605564412324
   minimum gb energy = 0.22766366798245755 eV
   minimum distance = 2.61946335247226 Angstroms
   sigma value = 105

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

Energy: 0.011786802329142832
Energy: 0.011786802321121392
Energy: 0.011786802315536095
Energy: 0.011786802316585814
Energy: 0.175151489434086
Energy: 0.17515148943513573
Energy: 0.01178680231973497
Energy: 0.17515148942537137
Energy: 0.17515148943024364
Energy: 0.011786802313099953
Energy: 0.7595767016146785
Energy: 0.7595767016150152
Energy: 0.011786802316942322
Energy: 0.7595767016132722
Energy: 0.7595767016139853
Energy: 0.011786802318328743
Energy: 0.17515148943582892
Energy: 0.1751514894375719
Energy: 0.011786802313793166
Energy: 0.17515148943687864
Energy: 0.17515148943582892
Energy: 0.011786802319021954
Energy: 0.01178680231973497
Energy: 0.011786802320071673
Energy: 0.01178680231973497
Energy: 0.1751514894337295
Energy: 0.17515148943198655
Energy: 0.011786802322507815
Energy: 0.17515148943652215
Energy: 0.17515148943547243
   minimum gb energy = 0.011786802313099953 eV
   minimum distance = 2.82943795287983 Angstroms
   sigma value = 1