model_name=EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_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=3.987558534741402
cohesive_energy=1.5777628711097502
mass=26.981538


Isolated atom energy: -1.81000000000002 eV

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

Energy: 0.005001616649224955
Energy: 0.005001616645201272
Energy: 0.005001616648222614
Energy: 0.005001616644692943
Energy: 0.0050016166411704305
Energy: 0.005001616651745126
Energy: 0.005001616637139589
Energy: 0.005001616653255797
Energy: 0.005001616645702443
Energy: 0.0050016166537641266
Energy: 0.005001616623536392
Energy: 0.005001616626557734
Energy: 0.005001616626557734
Energy: 0.005001616652253456
Energy: 0.005001616651243956
Energy: 0.005001616651243956
Energy: 0.0050016166537641266
Energy: 0.005001616629579076
Energy: 0.005001616640662101
Energy: 0.005001616650234455
Energy: 0.005001616644191772
Energy: 0.005001616645702443
Energy: 0.005001616637640759
Energy: 0.005001616624538734
Energy: 0.005001616651745126
Energy: 0.005001616626056564
Energy: 0.005001616650742785
Energy: 0.005001616652253456
Energy: 0.005001616629077905
Energy: 0.005001616646711943
   minimum gb energy = 0.005001616623536392 eV
   minimum distance = 2.81950752150819 Angstroms
   sigma value = 1

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

Energy: 0.4540351491720501
Energy: 0.4370655292001497
Energy: 0.43706552898197476
Energy: 0.41063374957103504
Energy: 0.43696843529296747
Energy: 0.43697000167420863
Energy: 0.4129302691869385
Energy: 0.4401996552465291
Energy: 0.44020050455941184
Energy: 0.4151203616514645
Energy: 0.4089318191239306
Energy: 0.4089294190666053
Energy: 0.4180799204046886
Energy: 0.4369642852669764
Energy: 0.4369647868130828
Energy: 0.38449804968988066
Energy: 0.44337838902028565
Energy: 0.44338001425567325
Energy: 0.41292313866029395
Energy: 0.43696427769438967
Energy: 0.4369642446673618
Energy: 0.41511805615132424
Energy: 0.410956873191555
Energy: 0.410988259412589
Energy: 0.41809444487229075
Energy: 0.48663162465799065
Energy: 0.48660984805521634
Energy: 0.4151116522784241
Energy: 0.4434110936630968
Energy: 0.4433861567324242
   minimum gb energy = 0.38449804968988066 eV
   minimum distance = 2.54217207102941 Angstroms
   sigma value = 113

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

Energy: 0.4722533311854852
Energy: 0.4570112461310307
Energy: 0.45701582102804267
Energy: 0.3885962762239258
Energy: 0.4563743367722233
Energy: 0.4563738075469962
Energy: 0.4310130268521335
Energy: 0.4569078741796561
Energy: 0.4569066293422222
Energy: 0.4260245178337123
Energy: 0.45637230803805495
Energy: 0.4563724791553063
Energy: 0.41336986792697045
Energy: 0.4569086449919415
Energy: 0.45690846829301823
Energy: 0.4373893306579952
Energy: 0.45637249621978243
Energy: 0.4563722634259451
Energy: 0.40520051789612627
Energy: 0.45691814309247136
Energy: 0.4569181386195991
Energy: 0.42162234540111004
Energy: 0.45637226229741085
Energy: 0.45637270792316686
Energy: 0.42618842404947654
Energy: 0.456900549927834
Energy: 0.45691322325447886
Energy: 0.4150957106088294
Energy: 0.46438010907943567
Energy: 0.46438356904555883
   minimum gb energy = 0.3885962762239258 eV
   minimum distance = 2.53913604395485 Angstroms
   sigma value = 197

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

Energy: 0.49218077038015456
Energy: 0.4718027732742399
Energy: 0.4718000412241521
Energy: 0.4408710036169119
Energy: 0.47160055807869977
Energy: 0.47159659680599936
Energy: 0.4514039169580316
Energy: 0.44551545544685567
Energy: 0.445510631749569
Energy: 0.44548889533147273
Energy: 0.5516842977940841
Energy: 0.5516842872715041
Energy: 0.4515939441686874
Energy: 0.4750609100295254
Energy: 0.47506032253168284
Energy: 0.41598851641207135
Energy: 0.4794744403174163
Energy: 0.4794733251978609
Energy: 0.4453407355378497
Energy: 0.44848538270273375
Energy: 0.4484892168219198
Energy: 0.4515665756199046
Energy: 0.6186629551152043
Energy: 0.6186542997914126
Energy: 0.45470584178909396
Energy: 0.44851461493718087
Energy: 0.44848611597455434
Energy: 0.44274881499882673
Energy: 0.47955463689752176
Energy: 0.4795544360191047
   minimum gb energy = 0.41598851641207135 eV
   minimum distance = 2.54318463457258 Angstroms
   sigma value = 169

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

Energy: 0.5140394594548713
Energy: 0.4958795900325726
Energy: 0.4958852496670151
Energy: 0.4672346650367281
Energy: 0.5548663389324154
Energy: 0.5548655267498287
Energy: 0.46141316005218497
Energy: 0.4918622907017191
Energy: 0.4918688467343245
Energy: 0.46382053022655445
Energy: 0.4956730861675422
Energy: 0.49566582017718164
Energy: 0.4750014094510005
Energy: 0.5725380620178108
Energy: 0.5725489975331359
Energy: 0.4749366600883311
Energy: 0.4950904633229017
Energy: 0.4950905105555736
Energy: 0.47502130300468454
Energy: 0.5612769916938953
Energy: 0.5612734014161044
Energy: 0.457019190780778
Energy: 0.49567095528428695
Energy: 0.4956697627705834
Energy: 0.4701876116519198
Energy: 0.48855853115057546
Energy: 0.4885585306618956
Energy: 0.4710894135914816
Energy: 0.5041369503593203
Energy: 0.5041369501735573
   minimum gb energy = 0.457019190780778 eV
   minimum distance = 2.53493300055823 Angstroms
   sigma value = 145

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

Energy: 0.5382084196742803
Energy: 0.5234442041752956
Energy: 0.5234384603204718
Energy: 0.5018049275873526
Energy: 0.5185601124678275
Energy: 0.5185698981287818
Energy: 0.48728693943699314
Energy: 0.5136340192319098
Energy: 0.5136348090066294
Energy: 0.48406139072672416
Energy: 0.5226269126129067
Energy: 0.5226405068719594
Energy: 0.4957384674411885
Energy: 0.4920058175545311
Energy: 0.49200764493046667
Energy: 0.4545446332300916
Energy: 0.5232673445088253
Energy: 0.5232676865204005
Energy: 0.4920586950019901
Energy: 0.5063304029693515
Energy: 0.5063291184894699
Energy: 0.4957592917039624
Energy: 0.48803259551726913
Energy: 0.4880291680852647
Energy: 0.46779836423548016
Energy: 0.5136464912783605
Energy: 0.5136378024742794
Energy: 0.49217454099613467
Energy: 0.48844612456849723
Energy: 0.4884480620908029
   minimum gb energy = 0.4545446332300916 eV
   minimum distance = 2.55236599267581 Angstroms
   sigma value = 61

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

Energy: 0.5620304152760753
Energy: 0.5436614718079381
Energy: 0.5436587296981759
Energy: 0.5112402888614269
Energy: 0.5430612910444943
Energy: 0.5430654642733669
Energy: 0.5204403211702087
Energy: 0.5493730196361093
Energy: 0.5493730160853253
Energy: 0.5110256782521855
Energy: 0.5367693782828326
Energy: 0.536769114609236
Energy: 0.5206042602327482
Energy: 0.5487721142975397
Energy: 0.5487680092022286
Energy: 0.5206111926079163
Energy: 0.5552063127044069
Energy: 0.5551956203639054
Energy: 0.5105924185304231
Energy: 0.5551825149329949
Energy: 0.5551915757220809
Energy: 0.5159134886654712
Energy: 0.5487837373433639
Energy: 0.5487855906924393
Energy: 0.5204405894708898
Energy: 0.5158589401731901
Energy: 0.5158590583766057
Energy: 0.5206067623999526
Energy: 0.5354740641039251
Energy: 0.5354814156816352
   minimum gb energy = 0.5105924185304231 eV
   minimum distance = 2.51300135207652 Angstroms
   sigma value = 101

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

Energy: 0.5710968230125638
Energy: 0.5737771526068159
Energy: 0.5737657376573168
Energy: 0.5420336658927527
Energy: 0.5733182639831461
Energy: 0.5733105855602885
Energy: 0.5227179458679558
Energy: 0.5733227754324334
Energy: 0.5733181450360777
Energy: 0.4878737448973785
Energy: 0.5733132361559462
Energy: 0.5733194237521927
Energy: 0.5122991217460012
Energy: 0.5733176653521479
Energy: 0.5733182713371762
Energy: 0.5062506574370623
Energy: 0.5733137750432761
Energy: 0.573315708854812
Energy: 0.5405426841589404
Energy: 0.5733085884532751
Energy: 0.5733075583941749
Energy: 0.5227275648866485
Energy: 0.5733071593765795
Energy: 0.5733134189175838
Energy: 0.5420421459048489
Energy: 0.573319353839299
Energy: 0.5733073565247196
Energy: 0.5495198137028945
Energy: 0.5733154288510532
Energy: 0.5733128682497489
   minimum gb energy = 0.4878737448973785 eV
   minimum distance = 2.52225387348841 Angstroms
   sigma value = 81

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

Energy: 0.5997458682521606
Energy: 0.6063121497694546
Energy: 0.6063163010491895
Energy: 0.5699633818890868
Energy: 0.5647802220514366
Energy: 0.5647772799924904
Energy: 0.5720061105390526
Energy: 0.5691228073604659
Energy: 0.5691318043712374
Energy: 0.5756527814540316
Energy: 0.5726005584723404
Energy: 0.5726204516741871
Energy: 0.5755848322612533
Energy: 0.5971859533869158
Energy: 0.5971551265568587
Energy: 0.5755944610152511
Energy: 0.6109144595705639
Energy: 0.6109366022116407
Energy: 0.5756019326571148
Energy: 0.5775265281653242
Energy: 0.5775439383297235
Energy: 0.5755751525635293
Energy: 0.5690966739639549
Energy: 0.5690928415631713
Energy: 0.5699603395843046
Energy: 0.56478790301667
Energy: 0.564784253179158
Energy: 0.5849576890213688
Energy: 0.6018659507252792
Energy: 0.6018653224239962
   minimum gb energy = 0.5647772799924904 eV
   minimum distance = 2.50457109273799 Angstroms
   sigma value = 1

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

Energy: 0.6331390599615359
Energy: 0.6274148926145056
Energy: 0.6274245580960193
Energy: 0.593257064670256
Energy: 0.5880598415366786
Energy: 0.5880579871302132
Energy: 0.5965732748475389
Energy: 0.61449506663659
Energy: 0.6144728474661852
Energy: 0.5572177582822958
Energy: 0.6272667568252794
Energy: 0.6272692713377199
Energy: 0.5931194012675335
Energy: 0.6113799851603736
Energy: 0.6121296015182776
Energy: 0.5786226195004558
Energy: 0.6183754738976656
Energy: 0.6184050657973792
Energy: 0.5828282735634568
Energy: 0.6272707638491942
Energy: 0.6272797973407904
Energy: 0.5879593518213312
Energy: 0.5956686433554103
Energy: 0.5956581310489517
Energy: 0.5359909486244755
Energy: 0.6324596482799071
Energy: 0.6324645540507682
Energy: 0.6019061970748241
Energy: 0.6144074722584683
Energy: 0.6144148468757987
   minimum gb energy = 0.5359909486244755 eV
   minimum distance = 2.49257404913333 Angstroms
   sigma value = 229

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

Energy: 0.6381774360467602
Energy: 0.643978600538514
Energy: 0.6439785875290464
Energy: 0.6144344282247307
Energy: 0.6028538983464354
Energy: 0.6028476107326673
Energy: 0.6025175457225675
Energy: 0.6423789787654386
Energy: 0.6423791650637891
Energy: 0.5914145070117717
Energy: 0.6423798603718347
Energy: 0.6423890009297055
Energy: 0.6025381611669104
Energy: 0.6416577736091733
Energy: 0.6416770630251293
Energy: 0.5673071088422724
Energy: 0.6423871375863597
Energy: 0.6423872008595413
Energy: 0.5945064855916588
Energy: 0.6026225893692072
Energy: 0.6025379990755918
Energy: 0.5408960219164779
Energy: 0.6423829705553344
Energy: 0.6423844335780623
Energy: 0.6025438184543439
Energy: 0.6062154762473253
Energy: 0.6062158434960407
Energy: 0.6144240301976742
Energy: 0.631526600365807
Energy: 0.6315276302068933
   minimum gb energy = 0.5408960219164779 eV
   minimum distance = 2.50010335965868 Angstroms
   sigma value = 25

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

Energy: 0.6682767137388129
Energy: 0.6590832578481586
Energy: 0.6590894138696037
Energy: 0.5611781828192567
Energy: 0.664157043936348
Energy: 0.6641181538732316
Energy: 0.5913488224838538
Energy: 0.6745324578029191
Energy: 0.6745331770451423
Energy: 0.5877917995093997
Energy: 0.6641206309242824
Energy: 0.6641246929733603
Energy: 0.6299082209184308
Energy: 0.6597063720386794
Energy: 0.6596919775644219
Energy: 0.6184443200533106
Energy: 0.6621677496132758
Energy: 0.662168906908079
Energy: 0.5842450526895505
Energy: 0.6468431198388872
Energy: 0.6468581731534224
Energy: 0.6255979748292949
Energy: 0.6250658281224946
Energy: 0.6250950359857448
Energy: 0.6131657433905162
Energy: 0.666767896204431
Energy: 0.6667701965809478
Energy: 0.6097083248580643
Energy: 0.6700992135065965
Energy: 0.6700940965018011
   minimum gb energy = 0.5611781828192567 eV
   minimum distance = 2.50102085450946 Angstroms
   sigma value = 173

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

Energy: 0.6494951780826737
Energy: 0.6907089233899089
Energy: 0.6907089229269133
Energy: 0.6362888603783878
Energy: 0.6362229067469413
Energy: 0.6361357261324065
Energy: 0.6614076353709959
Energy: 0.6794964431961107
Energy: 0.6794809997627982
Energy: 0.6508903774505232
Energy: 0.6904648270222354
Energy: 0.6904625077579577
Energy: 0.636234607660089
Energy: 0.6362294574785086
Energy: 0.6361914471779683
Energy: 0.6363242050167363
Energy: 0.6360445420769785
Energy: 0.6360444520741892
Energy: 0.6321000855636539
Energy: 0.673230778082904
Energy: 0.6732156365467806
Energy: 0.6104404384173923
Energy: 0.6693765895686322
Energy: 0.6693860072873603
Energy: 0.6180395863060089
Energy: 0.6361672758499411
Energy: 0.6362694242450542
Energy: 0.6362607867266796
Energy: 0.6331593926014436
Energy: 0.6331594097770579
   minimum gb energy = 0.6104404384173923 eV
   minimum distance = 2.50020207141927 Angstroms
   sigma value = 9

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

Energy: 0.7065743287220392
Energy: 0.7196088262474692
Energy: 0.7196072651594037
Energy: 0.630418946728014
Energy: 0.6975903040049759
Energy: 0.6976144267103165
Energy: 0.6712003044682494
Energy: 0.6653995371435663
Energy: 0.6653980336557769
Energy: 0.670563739121075
Energy: 0.7041411441384807
Energy: 0.7041070340200377
Energy: 0.66458909271625
Energy: 0.6654008996696601
Energy: 0.6654063724515872
Energy: 0.6609964320065109
Energy: 0.6645797309689352
Energy: 0.6646148783051219
Energy: 0.6608567583512805
Energy: 0.6378509004882664
Energy: 0.6378475987456679
Energy: 0.6643488006344044
Energy: 0.660852819460593
Energy: 0.6608500317647737
Energy: 0.6645869910204122
Energy: 0.6214811571501934
Energy: 0.6214771875352136
Energy: 0.6398134530492162
Energy: 0.6645825005141723
Energy: 0.6646749595793845
   minimum gb energy = 0.6214771875352136 eV
   minimum distance = 2.50508165790511 Angstroms
   sigma value = 31

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

Energy: 0.683079711285666
Energy: 0.6818425250009791
Energy: 0.6818425221721721
Energy: 0.6022693405560653
Energy: 0.677812177308772
Energy: 0.6777986052596171
Energy: 0.7166949220138512
Energy: 0.7254666541846739
Energy: 0.7254880737653581
Energy: 0.6830542778726892
Energy: 0.6220539410625352
Energy: 0.6219934521035282
Energy: 0.6830542776009774
Energy: 0.6427015047405377
Energy: 0.6427032193760995
Energy: 0.6427011122105601
Energy: 0.6777986055738228
Energy: 0.6777986104063826
Energy: 0.6022693405313642
Energy: 0.6778031517338051
Energy: 0.6777988118882918
Energy: 0.6022693408831102
Energy: 0.6427006301866444
Energy: 0.64270164185866
Energy: 0.6600992610597449
Energy: 0.6475900841754819
Energy: 0.647593490999032
Energy: 0.6600680473357535
Energy: 0.6476026538205688
Energy: 0.6476247520438752
   minimum gb energy = 0.6022693405313642 eV
   minimum distance = 2.50071222851174 Angstroms
   sigma value = 25

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

Energy: 0.7223145339095988
Energy: 0.6966994561131492
Energy: 0.6966732961614045
Energy: 0.6851523741077651
Energy: 0.6493850085928087
Energy: 0.6494831074629235
Energy: 0.6852543443207947
Energy: 0.649380246752577
Energy: 0.6494440861531784
Energy: 0.6897156955314274
Energy: 0.6966629001246094
Energy: 0.6966629024403128
Energy: 0.6851939327214005
Energy: 0.6594850677726677
Energy: 0.6594850791872023
Energy: 0.6851401138297385
Energy: 0.6679532905286748
Energy: 0.66790792664786
Energy: 0.6552552487188741
Energy: 0.6966628994919265
Energy: 0.6966629326721193
Energy: 0.6885264686961895
Energy: 0.6706265193860963
Energy: 0.670629442803692
Energy: 0.6851473896444404
Energy: 0.6722039113164299
Energy: 0.6723164487548473
Energy: 0.6253170381091381
Energy: 0.6966629363383327
Energy: 0.6966632914767062
   minimum gb energy = 0.6253170381091381 eV
   minimum distance = 2.51894501339303 Angstroms
   sigma value = 205

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

Energy: 0.7127426875423014
Energy: 0.6936592407747727
Energy: 0.6935858749092892
Energy: 0.6565824254401694
Energy: 0.6784163857962933
Energy: 0.6784465343199475
Energy: 0.6451496615854982
Energy: 0.6581820041807394
Energy: 0.6581656419734362
Energy: 0.6784256039545492
Energy: 0.6564407390306083
Energy: 0.6564037169174876
Energy: 0.6546323531577077
Energy: 0.633785344894588
Energy: 0.633749555929946
Energy: 0.7267662576447969
Energy: 0.6784165957060071
Energy: 0.6784497849300267
Energy: 0.6930507442103309
Energy: 0.6802227853354311
Energy: 0.6802518652631249
Energy: 0.6462948625273889
Energy: 0.6802316577058194
Energy: 0.6802501018989885
Energy: 0.7043446938478255
Energy: 0.6883497763823061
Energy: 0.6883087305347101
Energy: 0.6337885706670071
Energy: 0.6662883610003839
Energy: 0.666266951990337
   minimum gb energy = 0.633749555929946 eV
   minimum distance = 2.47224519833413 Angstroms
   sigma value = 85

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

Energy: 0.7241566742473404
Energy: 0.6865551258121014
Energy: 0.6866281355165654
Energy: 0.6763324222886244
Energy: 0.6898535144027228
Energy: 0.6897557918028296
Energy: 0.6671892140192135
Energy: 0.6963108493307419
Energy: 0.6962734168607112
Energy: 0.6671819495399082
Energy: 0.6644201180691763
Energy: 0.6644316813957444
Energy: 0.652904474075071
Energy: 0.7518947320809859
Energy: 0.7518764457656681
Energy: 0.6636674285666826
Energy: 0.6672345969447293
Energy: 0.6672351185470654
Energy: 0.6873207761053813
Energy: 0.6800280036379066
Energy: 0.6800520826096628
Energy: 0.6762153325194126
Energy: 0.6644201183965827
Energy: 0.6644228875621195
Energy: 0.6679043166989943
Energy: 0.6866791439411905
Energy: 0.6867363804108338
Energy: 0.642778174136641
Energy: 0.68870162621553
Energy: 0.6886531930536508
   minimum gb energy = 0.642778174136641 eV
   minimum distance = 2.54775187808312 Angstroms
   sigma value = 89

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

Energy: 0.6499791673742004
Energy: 0.6648520642697113
Energy: 0.6648538017932507
Energy: 0.767100841888781
Energy: 0.6349573467331961
Energy: 0.6349602639775559
Energy: 0.781902657768523
Energy: 0.6648512052698609
Energy: 0.6648516905076607
Energy: 0.634963217435952
Energy: 0.6415454434784038
Energy: 0.6415251226354077
Energy: 0.7087173825862253
Energy: 0.6349583542134182
Energy: 0.634956127551701
Energy: 0.6349584307092627
Energy: 0.6777519908765121
Energy: 0.6777551244691001
Energy: 0.7087171518963165
Energy: 0.6349554016714661
Energy: 0.6349752480368749
Energy: 0.6349554038892494
Energy: 0.677747290005577
Energy: 0.6777442709154168
Energy: 0.6349617734407588
Energy: 0.6427556341087594
Energy: 0.6427529938650658
Energy: 0.6415277023745118
Energy: 0.6349634326404693
Energy: 0.6349591918467764
   minimum gb energy = 0.6349554016714661 eV
   minimum distance = 2.55965976703276 Angstroms
   sigma value = 17

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

Energy: 0.7189594718709041
Energy: 0.6886314357982558
Energy: 0.688607519968072
Energy: 0.6600600266927995
Energy: 0.6841418481680854
Energy: 0.6841423819337293
Energy: 0.6917431896834617
Energy: 0.7043281263854929
Energy: 0.7043401474420162
Energy: 0.6829221255709984
Energy: 0.6919988330951953
Energy: 0.6920155829686936
Energy: 0.682032174660262
Energy: 0.6886904248547518
Energy: 0.6887111906997686
Energy: 0.722005819237342
Energy: 0.7187800937904998
Energy: 0.718785161781937
Energy: 0.6789702846318592
Energy: 0.689525448961046
Energy: 0.6896774698673036
Energy: 0.6521684175347827
Energy: 0.6658505653058936
Energy: 0.6658136711135215
Energy: 0.7214630283342897
Energy: 0.7160882432349819
Energy: 0.7160003306168102
Energy: 0.6895566560228186
Energy: 0.6920267055618984
Energy: 0.6921342701488752
   minimum gb energy = 0.6521684175347827 eV
   minimum distance = 2.53841071221648 Angstroms
   sigma value = 241

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

Energy: 0.7221567405017324
Energy: 0.6787092192942641
Energy: 0.6787093629337115
Energy: 0.6905487904902324
Energy: 0.7169947027831137
Energy: 0.7169912856855899
Energy: 0.7645930086358267
Energy: 0.7063015500261542
Energy: 0.7063072548135327
Energy: 0.6905369707836477
Energy: 0.6787093630194324
Energy: 0.6787686815289923
Energy: 0.6620989644369285
Energy: 0.6788094963907286
Energy: 0.6787104073819709
Energy: 0.7719860847246278
Energy: 0.7764460788399216
Energy: 0.776453457515467
Energy: 0.6970873721519141
Energy: 0.7152179754372818
Energy: 0.7153894057403514
Energy: 0.6905477612847635
Energy: 0.6786867011636477
Energy: 0.6787090428489952
Energy: 0.6622058089974244
Energy: 0.6908068471007102
Energy: 0.690746536742344
Energy: 0.7472596269928115
Energy: 0.673099698585321
Energy: 0.6731090869201952
   minimum gb energy = 0.6620989644369285 eV
   minimum distance = 2.48801120830324 Angstroms
   sigma value = 65

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

Energy: 0.705665851673248
Energy: 0.67069369501888
Energy: 0.6706954481932492
Energy: 0.6542075244464555
Energy: 0.6978606978036666
Energy: 0.697846057982377
Energy: 0.6542432199642708
Energy: 0.6914136261427882
Energy: 0.6913019700117979
Energy: 0.6996391347647706
Energy: 0.6542737303113858
Energy: 0.654201396713269
Energy: 0.7656326022841519
Energy: 0.6598867645754835
Energy: 0.6598640697017604
Energy: 0.7863086854925727
Energy: 0.7166676138102798
Energy: 0.7167389846750903
Energy: 0.6542385467929085
Energy: 0.691357970046377
Energy: 0.6913832695724756
Energy: 0.6862588957691352
Energy: 0.6542088613634287
Energy: 0.654246705234258
Energy: 0.6599599661926864
Energy: 0.6707130991998316
Energy: 0.6707169699994188
Energy: 0.6542298305698558
Energy: 0.7398607572727885
Energy: 0.7398910185683026
   minimum gb energy = 0.654201396713269 eV
   minimum distance = 2.56300271837062 Angstroms
   sigma value = 53

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

Energy: 0.7114199672338787
Energy: 0.6709622126223169
Energy: 0.670962212261364
Energy: 0.7699878238890101
Energy: 0.7133231493872547
Energy: 0.7132430652998197
Energy: 0.69263813099832
Energy: 0.7089226646923499
Energy: 0.7088823408577194
Energy: 0.6538554221697042
Energy: 0.7622838729730149
Energy: 0.7622830735458225
Energy: 0.791523245577953
Energy: 0.7047953620699398
Energy: 0.7048025882986262
Energy: 0.6538551013363223
Energy: 0.7435750164227344
Energy: 0.7436021522373338
Energy: 0.6926191607490657
Energy: 0.7088815499651395
Energy: 0.7089273802558763
Energy: 0.7395135831384829
Energy: 0.7132611590850533
Energy: 0.713329692895623
Energy: 0.6673832675432325
Energy: 0.6708692135189989
Energy: 0.6709244700431172
Energy: 0.7773178635199878
Energy: 0.7080722569886894
Energy: 0.7081126560017851
   minimum gb energy = 0.6538551013363223 eV
   minimum distance = 2.55097110308602 Angstroms
   sigma value = 109

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

Energy: 0.7347593198978672
Energy: 0.7017378722184642
Energy: 0.7016862673424601
Energy: 0.6622284702551366
Energy: 0.6936834292482725
Energy: 0.6937503515266873
Energy: 0.6856170267255424
Energy: 0.7132630070295569
Energy: 0.7133550027579387
Energy: 0.6834338227707567
Energy: 0.6896473035227155
Energy: 0.6895728375096649
Energy: 0.773906210298277
Energy: 0.734767707909759
Energy: 0.7348676975587357
Energy: 0.683370916519446
Energy: 0.6896767677827305
Energy: 0.6896235149572151
Energy: 0.6857325811129671
Energy: 0.7133077530938492
Energy: 0.7131992025991284
Energy: 0.66201951902506
Energy: 0.6937990447757492
Energy: 0.6937426601641256
Energy: 0.6954039677105648
Energy: 0.7016326607313259
Energy: 0.7018968882172638
Energy: 0.6622478192307076
Energy: 0.6937504378878758
Energy: 0.6937343143788459
   minimum gb energy = 0.66201951902506 eV
   minimum distance = 2.49811648540545 Angstroms
   sigma value = 185

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

Energy: 0.6324517892832191
Energy: 0.6324424022244356
Energy: 0.6324101227370196
Energy: 0.7232330559313884
Energy: 0.6446419622975839
Energy: 0.6446420443308644
Energy: 0.6406778133562034
Energy: 0.6582182008253863
Energy: 0.6582460211119755
Energy: 0.7457370534212109
Energy: 0.6446418796397767
Energy: 0.6446419281491826
Energy: 0.6324139918447195
Energy: 0.6324096730308802
Energy: 0.6324096573586879
Energy: 0.7232330322757233
Energy: 0.6446419925681716
Energy: 0.6446419095759542
Energy: 0.6324142136691419
Energy: 0.658231034492623
Energy: 0.6582195482486506
Energy: 0.7457197848779408
Energy: 0.6760676108199853
Energy: 0.6760668887678234
Energy: 0.6324096894725894
Energy: 0.6324096462159228
Energy: 0.6324202956121435
Energy: 0.7232330321116245
Energy: 0.6760050938954045
Energy: 0.6759964184151553
   minimum gb energy = 0.6324096462159228 eV
   minimum distance = 2.53970547209606 Angstroms
   sigma value = 9

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

Energy: 0.7213577072200069
Energy: 0.6969278856840256
Energy: 0.69691758028495
Energy: 0.8063857269160098
Energy: 0.7216139484077922
Energy: 0.7216586588576994
Energy: 0.6883522128593594
Energy: 0.7221635394921283
Energy: 0.7224304803578658
Energy: 0.695810591777921
Energy: 0.7150156238215013
Energy: 0.7150421542782722
Energy: 0.69683219150992
Energy: 0.7576870757544576
Energy: 0.757646052767514
Energy: 0.6893636318165003
Energy: 0.7247863323135544
Energy: 0.7248112888756111
Energy: 0.8304654186406019
Energy: 0.7280391360181646
Energy: 0.7280922108408212
Energy: 0.7151936186419757
Energy: 0.7350264297148466
Energy: 0.735105709165716
Energy: 0.824392518145452
Energy: 0.7128619961005648
Energy: 0.7130080253988593
Energy: 0.6969321084442652
Energy: 0.7159209156256666
Energy: 0.7159167479396173
   minimum gb energy = 0.6883522128593594 eV
   minimum distance = 2.50233329453199 Angstroms
   sigma value = 221

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

Energy: 0.7217650485647678
Energy: 0.7189092694327482
Energy: 0.7190346929656947
Energy: 0.6779070801252259
Energy: 0.7218240509455518
Energy: 0.7218925246271213
Energy: 0.6692077361305208
Energy: 0.7168661991618344
Energy: 0.7168637229240261
Energy: 0.6671139122263084
Energy: 0.7462281155835436
Energy: 0.7462455775882237
Energy: 0.7090587305016435
Energy: 0.7217416697402887
Energy: 0.7220124811984037
Energy: 0.7566386493192772
Energy: 0.7137699970628804
Energy: 0.7137666244210861
Energy: 0.8266726915603193
Energy: 0.6731419118034768
Energy: 0.6731038376765319
Energy: 0.7806342102596394
Energy: 0.6717841019361613
Energy: 0.6717316086075255
Energy: 0.7849943109929991
Energy: 0.7250557169902356
Energy: 0.7250618527482886
Energy: 0.7570610614190176
Energy: 0.7231741254395638
Energy: 0.7231734731499407
   minimum gb energy = 0.6671139122263084 eV
   minimum distance = 2.50264854110425 Angstroms
   sigma value = 137

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

Energy: 0.6883167897223054
Energy: 0.7455804615017276
Energy: 0.7455521168223964
Energy: 0.8111342023402012
Energy: 0.6773639932073202
Energy: 0.6774178598524422
Energy: 0.7367701332310386
Energy: 0.7752811577127317
Energy: 0.7752751165451903
Energy: 0.6774161126982546
Energy: 0.7205062989219473
Energy: 0.7205581099971811
Energy: 0.7367586313243829
Energy: 0.7423489016826739
Energy: 0.7423489675270898
Energy: 0.6774154700241569
Energy: 0.7751047443705112
Energy: 0.775114477991725
Energy: 0.855392440087023
Energy: 0.7739714053324651
Energy: 0.7739323294516969
Energy: 0.6774176137767606
Energy: 0.7336158870395566
Energy: 0.7336103284719707
Energy: 0.7580814526831628
Energy: 0.7155292590803788
Energy: 0.7155137331546587
Energy: 0.6774276199785326
Energy: 0.7154782134971478
Energy: 0.7154169084967993
   minimum gb energy = 0.6773639932073202 eV
   minimum distance = 2.49855895577999 Angstroms
   sigma value = 73

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

Energy: 0.7489829644099953
Energy: 0.724088447469003
Energy: 0.7240775513913297
Energy: 0.7069436577600738
Energy: 0.7260255776500241
Energy: 0.7260243478409811
Energy: 0.7064666721356139
Energy: 0.7068577126263078
Energy: 0.7069439337390492
Energy: 0.6874020886850105
Energy: 0.7241480849916194
Energy: 0.7241715263072054
Energy: 0.7274930502373717
Energy: 0.7252487825761945
Energy: 0.7251555875225143
Energy: 0.6818484489855287
Energy: 0.6821067847403463
Energy: 0.6820754556746165
Energy: 0.6797931826007001
Energy: 0.7587150215093169
Energy: 0.7587103169136176
Energy: 0.6994750766538197
Energy: 0.722761468024203
Energy: 0.7227436845404147
Energy: 0.7021286937507589
Energy: 0.682092073134505
Energy: 0.6820311344419218
Energy: 0.6797913997564692
Energy: 0.7372829312888562
Energy: 0.7372876785249525
   minimum gb energy = 0.6797913997564692 eV
   minimum distance = 2.51059229386095 Angstroms
   sigma value = 97

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

Energy: 0.6876852443649951
Energy: 0.7545043954111812
Energy: 0.7544253166320325
Energy: 0.6817885039375564
Energy: 0.6834618754204393
Energy: 0.6834264379496248
Energy: 0.6816147052706634
Energy: 0.7322910505418582
Energy: 0.7323811835241457
Energy: 0.6746014135085213
Energy: 0.6816688463802725
Energy: 0.6816999261101659
Energy: 0.8228628855045012
Energy: 0.6876741567850971
Energy: 0.6876740328477805
Energy: 0.76322308671636
Energy: 0.7528317084374545
Energy: 0.7528325729862143
Energy: 0.7715755502614962
Energy: 0.6800994821664115
Energy: 0.6800921109556527
Energy: 0.752834223388784
Energy: 0.6876736945576014
Energy: 0.6876742036375627
Energy: 0.6816117124372514
Energy: 0.7386540603727917
Energy: 0.7385991352280756
Energy: 0.6745987003052027
Energy: 0.7528407035634189
Energy: 0.7528347523838481
   minimum gb energy = 0.6745987003052027 eV
   minimum distance = 2.51398282248367 Angstroms
   sigma value = 7

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

Energy: 0.7057701587173297
Energy: 0.692810192316442
Energy: 0.6928828568222795
Energy: 0.6834338268089045
Energy: 0.7048312507488838
Energy: 0.7048609076930256
Energy: 0.7957773746460234
Energy: 0.6832775144152186
Energy: 0.6832767410115342
Energy: 0.6918649126759217
Energy: 0.7625203651044465
Energy: 0.7626093210558431
Energy: 0.6832764825528999
Energy: 0.7010272214047966
Energy: 0.7010153008365106
Energy: 0.6832835282284393
Energy: 0.7604728823727096
Energy: 0.7603999174148556
Energy: 0.6890474638249084
Energy: 0.6998752551362865
Energy: 0.7000730280242813
Energy: 0.8218044205867044
Energy: 0.689895603513801
Energy: 0.6899284809127514
Energy: 0.6890441009587899
Energy: 0.696823386819647
Energy: 0.6968245743427318
Energy: 0.683282551439579
Energy: 0.7233151199512404
Energy: 0.7231682480816931
   minimum gb energy = 0.6832764825528999 eV
   minimum distance = 2.50096581380932 Angstroms
   sigma value = 169

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

Energy: 0.7023722231429137
Energy: 0.6945200720740269
Energy: 0.6946539271040194
Energy: 0.6930770649506911
Energy: 0.6941882148418732
Energy: 0.6941460425892044
Energy: 0.7515442634021757
Energy: 0.6990295392738393
Energy: 0.699028694107292
Energy: 0.6810612262139586
Energy: 0.6990280879747076
Energy: 0.6990276678546651
Energy: 0.701203039396915
Energy: 0.7248556788136136
Energy: 0.7248646045016415
Energy: 0.7726544788401205
Energy: 0.6864716189401432
Energy: 0.686483401729321
Energy: 0.681062371983567
Energy: 0.6946058499283754
Energy: 0.6946325570793926
Energy: 0.6810146008408727
Energy: 0.6940731720543797
Energy: 0.6940822021075731
Energy: 0.8176561236445375
Energy: 0.694094533396362
Energy: 0.6941649393455227
Energy: 0.6810611757255687
Energy: 0.7515760408115291
Energy: 0.7515580651898413
   minimum gb energy = 0.6810146008408727 eV
   minimum distance = 2.48598748114473 Angstroms
   sigma value = 29

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

Energy: 0.7328144518987554
Energy: 0.7011142839822301
Energy: 0.7011632209319799
Energy: 0.6900395864752175
Energy: 0.7504322425323341
Energy: 0.7504972224885146
Energy: 0.730868851265879
Energy: 0.6919509785416871
Energy: 0.6919239008693129
Energy: 0.696553710015548
Energy: 0.7570425092040081
Energy: 0.7569841585396132
Energy: 0.6867414851078882
Energy: 0.6976274774786413
Energy: 0.6976611362483773
Energy: 0.7134435273599099
Energy: 0.6909001740969211
Energy: 0.6910377485861944
Energy: 0.7020320290842612
Energy: 0.6939534260052074
Energy: 0.6939325770718782
Energy: 0.6867488435762004
Energy: 0.7017244750661356
Energy: 0.701681811561124
Energy: 0.6983882130426351
Energy: 0.6965485486416196
Energy: 0.6965970180199843
Energy: 0.7735360184835273
Energy: 0.7332229687412263
Energy: 0.7332226055510117
   minimum gb energy = 0.6867414851078882 eV
   minimum distance = 2.5023385611771 Angstroms
   sigma value = 97

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

Energy: 0.7006846390540667
Energy: 0.7038586468939624
Energy: 0.703775688386002
Energy: 0.6855453575744784
Energy: 0.7491623723074302
Energy: 0.7491759581375639
Energy: 0.6894590455404999
Energy: 0.6994779240875368
Energy: 0.6994709255828881
Energy: 0.6823378264028669
Energy: 0.7409616121837216
Energy: 0.7408668002339664
Energy: 0.798004527464074
Energy: 0.6862172620674368
Energy: 0.6863341532952695
Energy: 0.739675961754504
Energy: 0.6973995701224809
Energy: 0.6974103210529241
Energy: 0.6854840807494805
Energy: 0.697398717662441
Energy: 0.6975588339183518
Energy: 0.6855138763548922
Energy: 0.6952061338790175
Energy: 0.695145224961407
Energy: 0.682032915839684
Energy: 0.7818901543271277
Energy: 0.7819078981949991
Energy: 0.6855102748798585
Energy: 0.699513208998162
Energy: 0.699617053937127
   minimum gb energy = 0.682032915839684 eV
   minimum distance = 2.50386637780259 Angstroms
   sigma value = 73

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

Energy: 0.7037091722620846
Energy: 0.7033980581358736
Energy: 0.7033152518006334
Energy: 0.8030924312151296
Energy: 0.6915551082875032
Energy: 0.6915002717085555
Energy: 0.6857063398963971
Energy: 0.7395397744356903
Energy: 0.7395402479090643
Energy: 0.8129141263050664
Energy: 0.6859542885565387
Energy: 0.6859075343456033
Energy: 0.6843997619510769
Energy: 0.743421002919411
Energy: 0.7434268013532642
Energy: 0.7022422200760197
Energy: 0.6919100594285613
Energy: 0.6918632775069982
Energy: 0.6804010229364965
Energy: 0.7616843173109942
Energy: 0.7616559051552123
Energy: 0.6845077455204958
Energy: 0.6968316864978576
Energy: 0.6968723145815213
Energy: 0.6846053289085258
Energy: 0.7154970408755631
Energy: 0.7156246810568986
Energy: 0.6945659721206546
Energy: 0.6874142391183715
Energy: 0.6874284258810562
   minimum gb energy = 0.6804010229364965 eV
   minimum distance = 2.4986325009252 Angstroms
   sigma value = 205

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

Energy: 0.6972579255363989
Energy: 0.7056258415603055
Energy: 0.7055555415187351
Energy: 0.6884221021790616
Energy: 0.705647952130382
Energy: 0.7055957296224113
Energy: 0.6833771569368283
Energy: 0.7384427926035793
Energy: 0.7384286985832412
Energy: 0.681992458422368
Energy: 0.6845279179768333
Energy: 0.6845675555200627
Energy: 0.6802474885053013
Energy: 0.6846663128616198
Energy: 0.6846288342346912
Energy: 0.6915802975726383
Energy: 0.684677968928064
Energy: 0.684629962119123
Energy: 0.7212253486072367
Energy: 0.6856227211786856
Energy: 0.6857514415171694
Energy: 0.7416813050975161
Energy: 0.692314755241684
Energy: 0.6923126967709692
Energy: 0.6859709473488335
Energy: 0.6923163507199489
Energy: 0.692316391333242
Energy: 0.6967118161333395
Energy: 0.6846858545113228
Energy: 0.6846904431545847
   minimum gb energy = 0.6802474885053013 eV
   minimum distance = 2.50080011921924 Angstroms
   sigma value = 137

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

Energy: 0.676317739889583
Energy: 0.6685803730145206
Energy: 0.6685803487316385
Energy: 0.6529473955430294
Energy: 0.676317743421555
Energy: 0.676317751401167
Energy: 0.6620352106850032
Energy: 0.6775512275789517
Energy: 0.6775483504878796
Energy: 0.6763177619427793
Energy: 0.6530983912824638
Energy: 0.6531026640712473
Energy: 0.6635743044348038
Energy: 0.6635736793908763
Energy: 0.6635736520095156
Energy: 0.663575262727713
Energy: 0.6775486055271739
Energy: 0.6775484187548177
Energy: 0.653263016037659
Energy: 0.7091146066375899
Energy: 0.7091127977300739
Energy: 0.663573652799914
Energy: 0.6763177395252498
Energy: 0.6763177662568122
Energy: 0.6635736536310785
Energy: 0.6763177389290763
Energy: 0.6763180800999979
Energy: 0.6530983953984423
Energy: 0.7091130227376868
Energy: 0.7091145819392344
   minimum gb energy = 0.6529473955430294 eV
   minimum distance = 2.5326892423794 Angstroms
   sigma value = 5

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

Energy: 0.6705422573780162
Energy: 0.6872071855334764
Energy: 0.6872070250230229
Energy: 0.6597288262289677
Energy: 0.7071681573865435
Energy: 0.7071724074914651
Energy: 0.6532971648384162
Energy: 0.6555346015525878
Energy: 0.6555320849814827
Energy: 0.654238263241343
Energy: 0.6555765952388253
Energy: 0.6555172842041589
Energy: 0.6769959634103366
Energy: 0.6518319762245591
Energy: 0.6518282952283595
Energy: 0.7304959268806565
Energy: 0.6528003853863265
Energy: 0.6528224517471591
Energy: 0.650461781342369
Energy: 0.6703913698112213
Energy: 0.6703660803061698
Energy: 0.6526878434537448
Energy: 0.6650936095610885
Energy: 0.6650799139307957
Energy: 0.6501661570951429
Energy: 0.6668346014066682
Energy: 0.666829964927452
Energy: 0.65016616579476
Energy: 0.7438364180945833
Energy: 0.7438360610438275
   minimum gb energy = 0.6501661570951429 eV
   minimum distance = 2.53259705346134 Angstroms
   sigma value = 289

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

Energy: 0.6746399732702869
Energy: 0.68177972237797
Energy: 0.6817274187105055
Energy: 0.6616938566811118
Energy: 0.655407752466849
Energy: 0.655416879931446
Energy: 0.6704205892426388
Energy: 0.6528943750597533
Energy: 0.6528933540917724
Energy: 0.6463211103751881
Energy: 0.6674515040107938
Energy: 0.667399507353707
Energy: 0.6468552086023623
Energy: 0.6999192168346856
Energy: 0.6999359952294484
Energy: 0.7002790827010106
Energy: 0.666118926105256
Energy: 0.6661192342536072
Energy: 0.650100278197607
Energy: 0.6613631895208296
Energy: 0.6613730360596835
Energy: 0.6483341946816568
Energy: 0.6635495820119729
Energy: 0.6635273394911423
Energy: 0.6503577688099381
Energy: 0.6675117625116523
Energy: 0.6674435832984413
Energy: 0.6596105448162625
Energy: 0.6586264916169075
Energy: 0.6586652694169194
   minimum gb energy = 0.6463211103751881 eV
   minimum distance = 2.51500153353762 Angstroms
   sigma value = 109

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

Energy: 0.6657718801113531
Energy: 0.6828316253927145
Energy: 0.6828329343458654
Energy: 0.6427031179215518
Energy: 0.6484857154102822
Energy: 0.6484826239746834
Energy: 0.6447479586443313
Energy: 0.6488417615681098
Energy: 0.648835896241157
Energy: 0.6557713081205165
Energy: 0.6906959668826795
Energy: 0.6906634577759253
Energy: 0.6439363848492886
Energy: 0.655717511483754
Energy: 0.6557176368010256
Energy: 0.6827776887829737
Energy: 0.6484916246939232
Energy: 0.6484857041820676
Energy: 0.64976211830473
Energy: 0.6573843277492414
Energy: 0.6574059989048732
Energy: 0.6381518506888428
Energy: 0.7223841326248429
Energy: 0.7223861948668348
Energy: 0.640309846466026
Energy: 0.6556994057952164
Energy: 0.6557059472212458
Energy: 0.6425356768944068
Energy: 0.6578015246875442
Energy: 0.6577934493119314
   minimum gb energy = 0.6381518506888428 eV
   minimum distance = 2.51106773366275 Angstroms
   sigma value = 157

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

Energy: 0.6720216716499066
Energy: 0.6725809838805828
Energy: 0.6725807650645544
Energy: 0.6367986105244499
Energy: 0.6662093780221341
Energy: 0.666190622061101
Energy: 0.6432385473714104
Energy: 0.649461395817383
Energy: 0.6494552540622714
Energy: 0.6367987322776372
Energy: 0.6653445200811379
Energy: 0.6653443143300991
Energy: 0.7165855179122353
Energy: 0.6469552574803732
Energy: 0.6469572528254075
Energy: 0.7728200070521765
Energy: 0.6357201380744517
Energy: 0.6357210144635547
Energy: 0.6925296331351901
Energy: 0.6432383029617174
Energy: 0.6433237049667839
Energy: 0.6344963371242717
Energy: 0.6469182030019308
Energy: 0.6469822204183968
Energy: 0.6418670335490736
Energy: 0.6512907380952354
Energy: 0.6512980234887807
Energy: 0.6469283974323053
Energy: 0.707765762422902
Energy: 0.7077584851691036
   minimum gb energy = 0.6344963371242717 eV
   minimum distance = 2.52992001356877 Angstroms
   sigma value = 53

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

Energy: 0.6419196588263649
Energy: 0.6472611599012592
Energy: 0.6473340608268623
Energy: 0.6350512857311367
Energy: 0.6282670285850618
Energy: 0.6283194008699262
Energy: 0.6309961904452198
Energy: 0.6382812630477145
Energy: 0.6382829336558588
Energy: 0.6430075571712657
Energy: 0.6207769108421234
Energy: 0.620821374395108
Energy: 0.6207441474202596
Energy: 0.6360381729438077
Energy: 0.635971209609448
Energy: 0.6360412441602225
Energy: 0.6429943817869866
Energy: 0.643017887574802
Energy: 0.6207971120921472
Energy: 0.6342345256147943
Energy: 0.6342543999796588
Energy: 0.6291537361556869
Energy: 0.6513788754052001
Energy: 0.6513873138691537
Energy: 0.6208097852174799
Energy: 0.6456367637267835
Energy: 0.645635806151964
Energy: 0.7060781463294212
Energy: 0.6207572767656567
Energy: 0.6207496804112659
   minimum gb energy = 0.6207441474202596 eV
   minimum distance = 2.52649840270409 Angstroms
   sigma value = 1

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

Energy: 0.6549582477231274
Energy: 0.64197417179686
Energy: 0.6419741710367364
Energy: 0.6265725408994687
Energy: 0.6364856695573224
Energy: 0.6365065691132121
Energy: 0.6145896750928371
Energy: 0.6370271417016308
Energy: 0.6370518967337787
Energy: 0.6308864855120863
Energy: 0.6283276315920838
Energy: 0.6282836260645143
Energy: 0.671749364095274
Energy: 0.6182088238528954
Energy: 0.6182414725014308
Energy: 0.6123149932027595
Energy: 0.6980273271410606
Energy: 0.6980217710125661
Energy: 0.684534227025334
Energy: 0.6242369688992423
Energy: 0.6241285053240849
Energy: 0.6124171696627416
Energy: 0.6478220918253613
Energy: 0.6478210382569112
Energy: 0.6087404257319085
Energy: 0.63087407980482
Energy: 0.6308971671692529
Energy: 0.6427780690778379
Energy: 0.6331896997796485
Energy: 0.6331551200973916
   minimum gb energy = 0.6087404257319085 eV
   minimum distance = 2.5052490075694 Angstroms
   sigma value = 3

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

Energy: 0.6287552779827456
Energy: 0.6287477887523225
Energy: 0.628738149089802
Energy: 0.5857516270555223
Energy: 0.6548037246562267
Energy: 0.6548038414209506
Energy: 0.5856905102772622
Energy: 0.657575520477902
Energy: 0.6575805636517065
Energy: 0.5857505183134625
Energy: 0.5976406076659839
Energy: 0.5976392740200859
Energy: 0.6287429171105021
Energy: 0.624425106088042
Energy: 0.6244390719333726
Energy: 0.6026565055917216
Energy: 0.5976439250920311
Energy: 0.5976128060728586
Energy: 0.6062660054636401
Energy: 0.5976119291442716
Energy: 0.5976139553594157
Energy: 0.6287363791997386
Energy: 0.597639172063076
Energy: 0.597638926189281
Energy: 0.5857082903041291
Energy: 0.6555346789614633
Energy: 0.6555356125115223
Energy: 0.5871842239726162
Energy: 0.6575582963742878
Energy: 0.6575930652801218
   minimum gb energy = 0.5856905102772622 eV
   minimum distance = 2.51589806362015 Angstroms
   sigma value = 17

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

Energy: 0.6629246420545456
Energy: 0.6209345258083154
Energy: 0.6210322843593866
Energy: 0.5926029242034665
Energy: 0.6526054571450669
Energy: 0.6525731897032166
Energy: 0.5920482881661667
Energy: 0.6134324465026336
Energy: 0.6134325537220435
Energy: 0.6668626609656613
Energy: 0.6090267162983225
Energy: 0.6090558809170128
Energy: 0.6790267245580036
Energy: 0.5956647794010561
Energy: 0.5957241578295349
Energy: 0.5993587348471127
Energy: 0.6218787802814177
Energy: 0.6219331380979815
Energy: 0.6586165523308735
Energy: 0.6060280777290057
Energy: 0.6060296908168917
Energy: 0.5918452639256283
Energy: 0.6175921424004868
Energy: 0.6176230997674232
Energy: 0.5945228740384286
Energy: 0.6001931689586971
Energy: 0.6001931360255811
Energy: 0.5968933460056213
Energy: 0.6504088011948697
Energy: 0.6504153112935351
   minimum gb energy = 0.5918452639256283 eV
   minimum distance = 2.52518726191006 Angstroms
   sigma value = 233

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

Energy: 0.6158566939681575
Energy: 0.586419192410928
Energy: 0.5864133308776055
Energy: 0.5811293751845513
Energy: 0.6158526179551181
Energy: 0.6158702050383483
Energy: 0.6008866083616183
Energy: 0.5975016413291431
Energy: 0.5975032139012434
Energy: 0.5940614046400479
Energy: 0.5905875034800743
Energy: 0.5905835181386865
Energy: 0.5883805422006241
Energy: 0.6075005333049996
Energy: 0.6075202646768417
Energy: 0.5955170327510464
Energy: 0.6021340395374827
Energy: 0.6021472864078782
Energy: 0.5864081766343678
Energy: 0.6074967989881805
Energy: 0.607528292275251
Energy: 0.6868755929098255
Energy: 0.5940983909288152
Energy: 0.5940557933927069
Energy: 0.5811774560018022
Energy: 0.6008665252894226
Energy: 0.6008834209045212
Energy: 0.5811221325418955
Energy: 0.5884461936393574
Energy: 0.5884793886935593
   minimum gb energy = 0.5811221325418955 eV
   minimum distance = 2.52398762572243 Angstroms
   sigma value = 89

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

Energy: 0.6506096841426834
Energy: 0.5850870281303867
Energy: 0.5850903519160401
Energy: 0.5923722529280379
Energy: 0.6011801317795437
Energy: 0.6011855575688183
Energy: 0.5937712563648502
Energy: 0.588821893265887
Energy: 0.588819459130549
Energy: 0.643688047484421
Energy: 0.584919373807106
Energy: 0.5849342966037111
Energy: 0.5810022687951744
Energy: 0.6277287461178019
Energy: 0.6277503318881731
Energy: 0.7120311654877622
Energy: 0.5791353672551053
Energy: 0.5791310719712404
Energy: 0.5788551240177817
Energy: 0.5823500580425023
Energy: 0.5823044977894891
Energy: 0.5942312929455095
Energy: 0.5888198687584693
Energy: 0.5888198669226521
Energy: 0.5788338712052241
Energy: 0.5822923353695305
Energy: 0.5823216872909935
Energy: 0.7020572812281802
Energy: 0.5880719140207878
Energy: 0.5880746525060582
   minimum gb energy = 0.5788338712052241 eV
   minimum distance = 2.52566071373453 Angstroms
   sigma value = 85

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

Energy: 0.6346638767910667
Energy: 0.5802637137680313
Energy: 0.5802959444842161
Energy: 0.5719541097877642
Energy: 0.6497361616944681
Energy: 0.6497340611055548
Energy: 0.568377645259771
Energy: 0.5858496901190722
Energy: 0.5858457156028868
Energy: 0.5878155228926932
Energy: 0.58392093496932
Energy: 0.5838434334200456
Energy: 0.5822242555045042
Energy: 0.5812167905511164
Energy: 0.5812472793054002
Energy: 0.5711394278382117
Energy: 0.5792870288328738
Energy: 0.5792597632304168
Energy: 0.5840701281379977
Energy: 0.6246667429294384
Energy: 0.6246948805369085
Energy: 0.5749553340381407
Energy: 0.5976914872202623
Energy: 0.5976903954920166
Energy: 0.5681108538348808
Energy: 0.5966255540331179
Energy: 0.5966373431479941
Energy: 0.6364678440718258
Energy: 0.5795479107972293
Energy: 0.5795638261960654
   minimum gb energy = 0.5681108538348808 eV
   minimum distance = 2.52270953195134 Angstroms
   sigma value = 69

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

Energy: 0.5456555077062977
Energy: 0.5456531717372537
Energy: 0.5456538741484345
Energy: 0.5456529635660999
Energy: 0.5456529533908246
Energy: 0.5456529794116955
Energy: 0.5385375220625342
Energy: 0.5655054730110357
Energy: 0.5655062202020921
Energy: 0.5505987710564108
Energy: 0.5655057488878744
Energy: 0.5655059059814354
Energy: 0.5506077210661589
Energy: 0.5655061182593062
Energy: 0.5655058724555597
Energy: 0.7918280445688851
Energy: 0.550602746640693
Energy: 0.5506000766691486
Energy: 0.5456555132131304
Energy: 0.5514652905344295
Energy: 0.5514648710942645
Energy: 0.5456533099837796
Energy: 0.6431248615667432
Energy: 0.643126897644629
Energy: 0.5456558457037355
Energy: 0.5655058592229513
Energy: 0.5655059904228061
Energy: 0.5456529952181647
Energy: 0.5655059549909911
Energy: 0.5655056359761328
   minimum gb energy = 0.5385375220625342 eV
   minimum distance = 2.54444932445152 Angstroms
   sigma value = 13

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

Energy: 0.666138933782497
Energy: 0.5349946339787516
Energy: 0.5350091483139363
Energy: 0.5286806415045283
Energy: 0.6112373994936927
Energy: 0.6112380818859668
Energy: 0.5453926746000622
Energy: 0.6474645202566192
Energy: 0.6474667722400574
Energy: 0.5279772544259485
Energy: 0.5887630799092445
Energy: 0.5887604673442256
Energy: 0.5338987889329784
Energy: 0.5442168624989718
Energy: 0.5442219574164445
Energy: 0.5280064601072104
Energy: 0.6056992560679836
Energy: 0.6056885796347231
Energy: 0.5251275239476942
Energy: 0.5403901932640008
Energy: 0.5404091214046739
Energy: 0.5472617474970789
Energy: 0.5351974273220186
Energy: 0.5351948667146968
Energy: 0.6129595048050055
Energy: 0.5403968492060688
Energy: 0.540384211916838
Energy: 0.6145079066528154
Energy: 0.5343872290471858
Energy: 0.5343748968580239
   minimum gb energy = 0.5251275239476942 eV
   minimum distance = 2.53669352792764 Angstroms
   sigma value = 125

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

Energy: 0.5603420098813354
Energy: 0.5322191831259121
Energy: 0.5322098358521368
Energy: 0.5199975741419599
Energy: 0.5457003217253679
Energy: 0.5456986980148241
Energy: 0.5345007243097245
Energy: 0.5367338201169659
Energy: 0.5367335023581253
Energy: 0.5193279679906712
Energy: 0.5916700499187363
Energy: 0.59166971513571
Energy: 0.677162279710916
Energy: 0.5284422897661882
Energy: 0.5284382343039419
Energy: 0.5345065459954434
Energy: 0.5442254125595493
Energy: 0.544222539405625
Energy: 0.5193191192737834
Energy: 0.5280426241053074
Energy: 0.5280454375051442
Energy: 0.6028685626611162
Energy: 0.5323800057486838
Energy: 0.5323792024606109
Energy: 0.5295778915698143
Energy: 0.6016891144030077
Energy: 0.6016890361231947
Energy: 0.5193338646365441
Energy: 0.5456997159615294
Energy: 0.5456985684073727
   minimum gb energy = 0.5193191192737834 eV
   minimum distance = 2.53475539505236 Angstroms
   sigma value = 37

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

Energy: 0.5342949063007464
Energy: 0.5132092723592895
Energy: 0.5132187308201994
Energy: 0.4988631504509969
Energy: 0.5201831426412334
Energy: 0.5201759148652007
Energy: 0.4988705875499529
Energy: 0.520192466048922
Energy: 0.5201928326289101
Energy: 0.5131937810450179
Energy: 0.5230436633230129
Energy: 0.5230483004745013
Energy: 0.6100407658053024
Energy: 0.5230454384667241
Energy: 0.523043453272101
Energy: 0.49938730120306557
Energy: 0.5201905403809766
Energy: 0.5201928332362377
Energy: 0.5132022601113293
Energy: 0.5526391589474527
Energy: 0.5526438304588974
Energy: 0.703906944248362
Energy: 0.5230488944142172
Energy: 0.5230512551881882
Energy: 0.5109313555888109
Energy: 0.5112600045538914
Energy: 0.5112598830717587
Energy: 0.5132001789193205
Energy: 0.5514026543350272
Energy: 0.5514032244169846
   minimum gb energy = 0.4988631504509969 eV
   minimum distance = 2.55164486407756 Angstroms
   sigma value = 37

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

Energy: 0.6516296580489718
Energy: 0.7110193794114804
Energy: 0.7110193801341489
Energy: 0.48689718042174507
Energy: 0.5116254404545609
Energy: 0.5116326841943689
Energy: 0.49846850148813904
Energy: 0.5816070328748445
Energy: 0.5816062979300624
Energy: 0.49845832775355103
Energy: 0.6242940959321164
Energy: 0.6242949615278665
Energy: 0.49127989896119834
Energy: 0.5064286831082352
Energy: 0.5064220960462014
Energy: 0.6272839601944185
Energy: 0.5143409816466649
Energy: 0.5143421632929723
Energy: 0.49758060575805774
Energy: 0.5143429091707458
Energy: 0.5143435888679458
Energy: 0.7440403287002404
Energy: 0.5010588688720276
Energy: 0.501079528754365
Energy: 0.4984696075506927
Energy: 0.5225242351839469
Energy: 0.5225271763769308
Energy: 0.4973590752722961
Energy: 0.5472631527080531
Energy: 0.5472631893881426
   minimum gb energy = 0.48689718042174507 eV
   minimum distance = 2.54401629290404 Angstroms
   sigma value = 185

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

Energy: 0.6115747272092023
Energy: 0.4986963723871861
Energy: 0.4986994663474638
Energy: 0.48430476628912655
Energy: 0.5056649986341728
Energy: 0.5056633156757273
Energy: 0.5887660156614561
Energy: 0.5043728945159359
Energy: 0.5043722179817762
Energy: 0.49517158963626856
Energy: 0.6017208464780492
Energy: 0.6017208858036007
Energy: 0.4920059592608508
Energy: 0.49425915818016586
Energy: 0.4942809160033588
Energy: 0.49376588559452017
Energy: 0.49908416210236467
Energy: 0.49906433393199784
Energy: 0.4897321800329941
Energy: 0.4990675872659022
Energy: 0.4990839206269741
Energy: 0.5915644839716123
Energy: 0.4998137067610564
Energy: 0.499810164758533
Energy: 0.4942328484716692
Energy: 0.49949151065719766
Energy: 0.49949008512506626
Energy: 0.5887658489783516
Energy: 0.504367557602578
Energy: 0.5043718980072236
   minimum gb energy = 0.48430476628912655 eV
   minimum distance = 2.53234403822442 Angstroms
   sigma value = 173

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

Energy: 0.4917767084126449
Energy: 0.473674941492828
Energy: 0.47366902453537096
Energy: 0.4619197954585749
Energy: 0.5728448968942135
Energy: 0.5728476175955698
Energy: 0.46455707015316083
Energy: 0.5311640586802042
Energy: 0.5311606089278456
Energy: 0.4746170710181445
Energy: 0.5051161519280719
Energy: 0.5051159523254328
Energy: 0.4645570701702865
Energy: 0.47461701678898777
Energy: 0.4746167485139651
Energy: 0.4713436374629123
Energy: 0.4917766767763755
Energy: 0.49177673313865095
Energy: 0.4619273595738969
Energy: 0.547007310044697
Energy: 0.547008008601056
Energy: 0.4917765876734688
Energy: 0.4917765970171292
Energy: 0.4917765959671916
Energy: 0.46191420311627274
Energy: 0.4917768796054178
Energy: 0.4917765974715734
Energy: 0.4619244099148796
Energy: 0.4917765876371898
Energy: 0.4917768172125333
   minimum gb energy = 0.46191420311627274 eV
   minimum distance = 2.55732836397989 Angstroms
   sigma value = 25

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

Energy: 0.5858683495545228
Energy: 0.4678714292850995
Energy: 0.4678716655822709
Energy: 0.45189773961097984
Energy: 0.4716092684669393
Energy: 0.4716064911615528
Energy: 0.4652126987352761
Energy: 0.4625928673158392
Energy: 0.4625923387937821
Energy: 0.44501807388510095
Energy: 0.5231106610709058
Energy: 0.5231116223883391
Energy: 0.45636245566114353
Energy: 0.5700844801754325
Energy: 0.570084279785599
Energy: 0.47160888510460636
Energy: 0.46136277980951307
Energy: 0.4613633363413432
Energy: 0.44502257420622476
Energy: 0.4697227652366923
Energy: 0.4697227715814638
Energy: 0.7645559905050786
Energy: 0.4581275881319629
Energy: 0.45813025887739234
Energy: 0.4490465275472418
Energy: 0.46629743437522864
Energy: 0.4662971386223935
Energy: 0.4546139864325702
Energy: 0.4681845885505082
Energy: 0.46818138411258486
   minimum gb energy = 0.44501807388510095 eV
   minimum distance = 2.53814279206253 Angstroms
   sigma value = 269

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

Energy: 0.6204606549881734
Energy: 0.46238323890849437
Energy: 0.4623832384511657
Energy: 0.44132195443105904
Energy: 0.4727165771317661
Energy: 0.4727262487921075
Energy: 0.42988935837378356
Energy: 0.4540441923743692
Energy: 0.45404514586391437
Energy: 0.45553263687721035
Energy: 0.46270253441048886
Energy: 0.46270295390071947
Energy: 0.45553273881021417
Energy: 0.4665555168070867
Energy: 0.4665555166148779
Energy: 0.44132004524569135
Energy: 0.47271489354495494
Energy: 0.4727142084929159
Energy: 0.4367918957347079
Energy: 0.44347088096337617
Energy: 0.4434633568079868
Energy: 0.6143337479616771
Energy: 0.46270232471442785
Energy: 0.4627020421193661
Energy: 0.44131961430438155
Energy: 0.5220838610517884
Energy: 0.5220846456966879
Energy: 0.4413282573566577
Energy: 0.47273320115891676
Energy: 0.472717422397389
   minimum gb energy = 0.42988935837378356 eV
   minimum distance = 2.55375544505078 Angstroms
   sigma value = 65

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

Energy: 0.6515888368554544
Energy: 0.44561305806301893
Energy: 0.44561376307842504
Energy: 0.423072222342695
Energy: 0.44572838045512203
Energy: 0.44572837808781435
Energy: 0.4404022654277809
Energy: 0.44928518142293117
Energy: 0.4492857182686642
Energy: 0.4346156143779501
Energy: 0.4335538889117229
Energy: 0.4335598431787843
Energy: 0.4335513213652474
Energy: 0.4537448138924083
Energy: 0.45375307395477027
Energy: 0.5430634127132841
Energy: 0.4363007660242105
Energy: 0.43629955500942474
Energy: 0.43451629567339334
Energy: 0.4436029602219775
Energy: 0.4436001386490565
Energy: 0.7292938795275188
Energy: 0.4363012551111404
Energy: 0.43629691926535097
Energy: 0.43452055819279933
Energy: 0.4457284265509163
Energy: 0.44572844358135183
Energy: 0.5298548243399616
Energy: 0.4360594799362934
Energy: 0.4360597734356559
   minimum gb energy = 0.423072222342695 eV
   minimum distance = 2.54566283044201 Angstroms
   sigma value = 79

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

Energy: 0.44689993816689394
Energy: 0.4209382657799578
Energy: 0.4209387549630876
Energy: 0.4196452833020078
Energy: 0.4322007853554767
Energy: 0.43220071693205436
Energy: 0.5746181621880028
Energy: 0.4209388723502953
Energy: 0.42093875706311196
Energy: 0.4209391089682342
Energy: 0.4468999803829218
Energy: 0.44689786640367435
Energy: 0.4209378971187224
Energy: 0.4662625372436417
Energy: 0.46626227830441963
Energy: 0.4041119769593983
Energy: 0.5760367410039929
Energy: 0.5760362767197676
Energy: 0.4196454340236221
Energy: 0.4209390446937214
Energy: 0.4209384679981371
Energy: 0.4468926961121183
Energy: 0.44688625148496824
Energy: 0.4468961209408948
Energy: 0.41964503654590196
Energy: 0.4196441202447591
Energy: 0.41964531750034156
Energy: 0.404097293713632
Energy: 0.41964515090149745
Energy: 0.4196441471610799
   minimum gb energy = 0.404097293713632 eV
   minimum distance = 2.55416162658724 Angstroms
   sigma value = 41

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

Energy: 0.546559231117617
Energy: 0.4117269073916076
Energy: 0.4117250443365603
Energy: 0.3873611753070969
Energy: 0.4150874998619682
Energy: 0.41508754844875356
Energy: 0.3834086251077531
Energy: 0.41508749994456645
Energy: 0.41508750009061257
Energy: 0.525172173690305
Energy: 0.4096136559888719
Energy: 0.40961068257337035
Energy: 0.524080143912504
Energy: 0.4096109336989013
Energy: 0.40960990399997876
Energy: 0.40069087470829506
Energy: 0.4096098914517525
Energy: 0.4096131708669661
Energy: 0.39771380843503024
Energy: 0.4553160828258027
Energy: 0.45531137969389224
Energy: 0.6540961048444602
Energy: 0.4150874977173801
Energy: 0.41508750017782103
Energy: 0.3970453467477332
Energy: 0.3946235182178106
Energy: 0.39462357540780524
Energy: 0.3834086251605779
Energy: 0.4047355711881784
Energy: 0.4047355073913886
   minimum gb energy = 0.3834086251077531 eV
   minimum distance = 2.5521857781873 Angstroms
   sigma value = 101

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

Energy: 0.6094811926424848
Energy: 0.3778043600682601
Energy: 0.37780436020566094
Energy: 0.38766722477937254
Energy: 0.3782377733355801
Energy: 0.37823785258610665
Energy: 0.37160058529668055
Energy: 0.4231593492877037
Energy: 0.42316304047852754
Energy: 0.36565925762025825
Energy: 0.3868766589526397
Energy: 0.3868731457076513
Energy: 0.3716005851444514
Energy: 0.3868735352632263
Energy: 0.38687323687636405
Energy: 0.3709217076872365
Energy: 0.38687253863223875
Energy: 0.38687249990845574
Energy: 0.37092153707640163
Energy: 0.38687240092608355
Energy: 0.38687258859754425
Energy: 0.6072138298231168
Energy: 0.386872228643265
Energy: 0.3868722149963043
Energy: 0.5958258417066344
Energy: 0.38687223794507153
Energy: 0.3868732001090465
Energy: 0.371600629937631
Energy: 0.40284681555237867
Energy: 0.4028469308470937
   minimum gb energy = 0.36565925762025825 eV
   minimum distance = 2.560943694126 Angstroms
   sigma value = 15

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

Energy: 0.5835534738094125
Energy: 0.37075017245285874
Energy: 0.3707501102994028
Energy: 0.4530404236950079
Energy: 0.3739217657958548
Energy: 0.3739184497105019
Energy: 0.352830271740726
Energy: 0.3739220051443221
Energy: 0.37392019837974855
Energy: 0.3654929999752759
Energy: 0.37392178888055544
Energy: 0.3739214500355561
Energy: 0.5737655251491698
Energy: 0.3617452451337856
Energy: 0.3617536327563408
Energy: 0.3586755866363841
Energy: 0.3693742041344729
Energy: 0.36937453641491164
Energy: 0.34816136864034497
Energy: 0.4312838830608656
Energy: 0.4312833336667024
Energy: 0.6644656170631096
Energy: 0.3733970110279399
Energy: 0.3733970132494513
Energy: 0.3583015116184272
Energy: 0.40698031784027405
Energy: 0.4069803660211357
Energy: 0.34461582038050825
Energy: 0.37392080857978827
Energy: 0.37392108997146617
   minimum gb energy = 0.34461582038050825 eV
   minimum distance = 2.55611756128044 Angstroms
   sigma value = 145

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

Energy: 0.5918737235890161
Energy: 0.3833353915588902
Energy: 0.38333540580397796
Energy: 0.3954640901940598
Energy: 0.35949160928744783
Energy: 0.35949252496992445
Energy: 0.3379611815042144
Energy: 0.39966463345099446
Energy: 0.39966603444601895
Energy: 0.3299594802824367
Energy: 0.3498350510708366
Energy: 0.3498397565125566
Energy: 0.3349913269224587
Energy: 0.3491946572063002
Energy: 0.3491947741709548
Energy: 0.338174143344687
Energy: 0.35949163614044993
Energy: 0.35949140132585644
Energy: 0.39546334855171467
Energy: 0.3824675158199517
Energy: 0.3824675034016683
Energy: 0.591913932417478
Energy: 0.35949242966472844
Energy: 0.3594908723517586
Energy: 0.4546024102532766
Energy: 0.40378406284947627
Energy: 0.4037840660839634
Energy: 0.3873345726882955
Energy: 0.33796117699867034
Energy: 0.3379611693668115
   minimum gb energy = 0.3299594802824367 eV
   minimum distance = 2.55181209421181 Angstroms
   sigma value = 85

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

Energy: 0.6025461258853463
Energy: 0.3396249060018227
Energy: 0.33962328410973575
Energy: 0.32461187162856864
Energy: 0.3715454241623567
Energy: 0.3715452145179299
Energy: 0.3248471090337234
Energy: 0.3377015957373001
Energy: 0.33770752747389093
Energy: 0.42193801912352724
Energy: 0.34813599349293467
Energy: 0.34813718223779744
Energy: 0.42193774757336605
Energy: 0.3408032357161486
Energy: 0.3408040012278593
Energy: 0.3226962509274448
Energy: 0.34082300527712517
Energy: 0.3408023140086016
Energy: 0.3209743263299412
Energy: 0.34080304865372313
Energy: 0.34080314498453523
Energy: 0.670134461748411
Energy: 0.337701733833532
Energy: 0.3377056489560296
Energy: 0.43537818618718077
Energy: 0.43547811367784217
Energy: 0.43547810320286473
Energy: 0.31627817420396254
Energy: 0.34080286128674475
Energy: 0.34080400201977074
   minimum gb energy = 0.31627817420396254 eV
   minimum distance = 2.55932520806984 Angstroms
   sigma value = 197

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

Energy: 0.5547470368893053
Energy: 0.3358888312164523
Energy: 0.3358869377839029
Energy: 0.38130020508678486
Energy: 0.33778266765213727
Energy: 0.33778522314556225
Energy: 0.3474575038613845
Energy: 0.36079564651665175
Energy: 0.36078841093719366
Energy: 0.30324320264870436
Energy: 0.3438184450983268
Energy: 0.3438189047737882
Energy: 0.4006455764653168
Energy: 0.3447966692566858
Energy: 0.34479582325348296
Energy: 0.34745790380367186
Energy: 0.3377839270021978
Energy: 0.3377860990779136
Energy: 0.519780459405334
Energy: 0.3490768176971951
Energy: 0.34906827594807405
Energy: 0.5543616878104276
Energy: 0.33778475849652206
Energy: 0.3377814946520029
Energy: 0.3813002035151856
Energy: 0.31819417032351077
Energy: 0.31819417374965075
Energy: 0.3235854587730184
Energy: 0.3377852326372612
Energy: 0.33778522353704227
   minimum gb energy = 0.30324320264870436 eV
   minimum distance = 2.5690816961746 Angstroms
   sigma value = 113

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

Energy: 0.5309220884416849
Energy: 0.3133707999401841
Energy: 0.3133673999925857
Energy: 0.5661169300336426
Energy: 0.3044720040741254
Energy: 0.30446342298837215
Energy: 0.29039392325542585
Energy: 0.32156982504515497
Energy: 0.32157159381031053
Energy: 0.29004608315056213
Energy: 0.3215709386685794
Energy: 0.32157298909969007
Energy: 0.27958534854093103
Energy: 0.3215719120374434
Energy: 0.32157029386656266
Energy: 0.29772458383471995
Energy: 0.30446254440951603
Energy: 0.3044625367194742
Energy: 0.5270551090263333
Energy: 0.3128351337548101
Energy: 0.3128407588108486
Energy: 0.5869876580054855
Energy: 0.3215697802052726
Energy: 0.32156939414134494
Energy: 0.443513487568123
Energy: 0.3215692965108787
Energy: 0.32157204226021985
Energy: 0.3741332503174529
Energy: 0.38441722485035806
Energy: 0.3844179487706837
   minimum gb energy = 0.27958534854093103 eV
   minimum distance = 2.54726364589019 Angstroms
   sigma value = 145

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

Energy: 0.5487811121320352
Energy: 0.3303551466446278
Energy: 0.3303554544314554
Energy: 0.48870800720629565
Energy: 0.29168330294298517
Energy: 0.29169385116773594
Energy: 0.2677702483256299
Energy: 0.29168329961722134
Energy: 0.2916874147562537
Energy: 0.27890551602203045
Energy: 0.2916864461096045
Energy: 0.29169200908656934
Energy: 0.2677702705809291
Energy: 0.30651881213007565
Energy: 0.30649596830709575
Energy: 0.344796690311195
Energy: 0.3630401283315066
Energy: 0.3630402840284137
Energy: 0.29169599917345174
Energy: 0.2916874371497461
Energy: 0.29168418565747634
Energy: 0.5454679030700632
Energy: 0.29896503913124045
Energy: 0.2989601262036278
Energy: 0.5780635702513488
Energy: 0.2786383792752801
Energy: 0.2786383755892775
Energy: 0.27890896869435194
Energy: 0.30649733580346933
Energy: 0.30650507955644224
   minimum gb energy = 0.2677702483256299 eV
   minimum distance = 2.56883706385888 Angstroms
   sigma value = 181

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

Energy: 0.5409460498385594
Energy: 0.2790138005568404
Energy: 0.27901382833812866
Energy: 0.41213753933569774
Energy: 0.2861004627338134
Energy: 0.28610508913773985
Energy: 0.2606900125292867
Energy: 0.34164449101568
Energy: 0.34163674854468545
Energy: 0.25818336092105676
Energy: 0.2738416405828271
Energy: 0.2738457400195841
Energy: 0.258180372614358
Energy: 0.2797501370335124
Energy: 0.27975394746993526
Energy: 0.26068942423419394
Energy: 0.28608777676750147
Energy: 0.2860899423639607
Energy: 0.41213613954047174
Energy: 0.2797545996340394
Energy: 0.2797723186417465
Energy: 0.5825944022960324
Energy: 0.27974972493738326
Energy: 0.2797678919320316
Energy: 0.41213509221875044
Energy: 0.27974838190071766
Energy: 0.27975398859369294
Energy: 0.2809050420250488
Energy: 0.2797571813134411
Energy: 0.27975228059878837
   minimum gb energy = 0.258180372614358 eV
   minimum distance = 2.5671727179327 Angstroms
   sigma value = 55

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

Energy: 0.4814582068033948
Energy: 0.26133119277765243
Energy: 0.2613283499571131
Energy: 0.36180965207327825
Energy: 0.26345672984703394
Energy: 0.2634490779423262
Energy: 0.35798148657222456
Energy: 0.24911287987767602
Energy: 0.24911288013083732
Energy: 0.23452965900891432
Energy: 0.2686599827883976
Energy: 0.26868168066501547
Energy: 0.24928158739339903
Energy: 0.2908110100390263
Energy: 0.29080512913776635
Energy: 0.24107323310052634
Energy: 0.2583740300055172
Energy: 0.2583776556212908
Energy: 0.5062785758693072
Energy: 0.24496579572887126
Energy: 0.24496585900189516
Energy: 0.5626851347484325
Energy: 0.26866055289926066
Energy: 0.26866246437666597
Energy: 0.36180900446281944
Energy: 0.25364975086653047
Energy: 0.25365161295918953
Energy: 0.24107321947809052
Energy: 0.26866330558101303
Energy: 0.2686638904900735
   minimum gb energy = 0.23452965900891432 eV
   minimum distance = 2.56650221260666 Angstroms
   sigma value = 265

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

Energy: 0.5328276514602199
Energy: 0.24706591513706652
Energy: 0.24706646924921152
Energy: 0.29068365476583846
Energy: 0.2370756638985905
Energy: 0.23707495166278972
Energy: 0.23353921944789727
Energy: 0.24501934459717628
Energy: 0.24502316263773752
Energy: 0.21809026366464487
Energy: 0.24925766521208084
Energy: 0.24926014982588182
Energy: 0.23355595560274459
Energy: 0.24503779850248963
Energy: 0.24501210381853697
Energy: 0.22693943249984733
Energy: 0.2492597571373285
Energy: 0.24925961278659028
Energy: 0.33702054719990987
Energy: 0.25377586682635
Energy: 0.25377572729336234
Energy: 0.5300118482324307
Energy: 0.2492573275121427
Energy: 0.24925891480412107
Energy: 0.4299262154208806
Energy: 0.25377535835296716
Energy: 0.2537765273566497
Energy: 0.2300641777981169
Energy: 0.24925968603895418
Energy: 0.249259599735265
   minimum gb energy = 0.21809026366464487 eV
   minimum distance = 2.56454102320007 Angstroms
   sigma value = 39

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

Energy: 0.5036383299321483
Energy: 0.2386140160719614
Energy: 0.23861523042641128
Energy: 0.3221483481184559
Energy: 0.23696490624247737
Energy: 0.23696536193907933
Energy: 0.27479918014906995
Energy: 0.23323480561931068
Energy: 0.23323537340802422
Energy: 0.20613654883938673
Energy: 0.23323546228553238
Energy: 0.2332370135732139
Energy: 0.2149328203892763
Energy: 0.24077678007581038
Energy: 0.24076450049025536
Energy: 0.2203051265867513
Energy: 0.3275291935059941
Energy: 0.32757414132698
Energy: 0.3221545055604548
Energy: 0.23323405761652924
Energy: 0.23323507168224003
Energy: 0.5747773484432682
Energy: 0.23323534417143188
Energy: 0.23323912666978397
Energy: 0.23463915073472166
Energy: 0.22322224462403706
Energy: 0.22320783974465283
Energy: 0.30661357131649214
Energy: 0.23326053226872245
Energy: 0.23323501573243183
   minimum gb energy = 0.20613654883938673 eV
   minimum distance = 2.56337096710626 Angstroms
   sigma value = 91

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

Energy: 0.24102898637455972
Energy: 0.2250996853772985
Energy: 0.2251057714866208
Energy: 0.30886556647997304
Energy: 0.2260735061449194
Energy: 0.22607108277367488
Energy: 0.20894567130729308
Energy: 0.2294325000146263
Energy: 0.22943257746109594
Energy: 0.20465439793624038
Energy: 0.232868471571182
Energy: 0.23287263529881616
Energy: 0.20111658508654714
Energy: 0.22607160973421833
Energy: 0.22606972887125387
Energy: 0.3412207082739429
Energy: 0.2141316533183629
Energy: 0.2141318659456212
Energy: 0.2140468113424995
Energy: 0.21978455791057802
Energy: 0.21979183160188698
Energy: 0.5447184851618355
Energy: 0.22943254923355644
Energy: 0.22943257772135228
Energy: 0.384156189919747
Energy: 0.23292034317834803
Energy: 0.23288527211273488
Energy: 0.21413437041208266
Energy: 0.2810921771682884
Energy: 0.28109184573053003
   minimum gb energy = 0.20111658508654714 eV
   minimum distance = 2.56287720096058 Angstroms
   sigma value = 105

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

Energy: 0.005659191887635333
Energy: 0.0056591919047367465
Energy: 0.005659191893690184
Energy: 0.0056591919015270675
Energy: 0.14895465626508286
Energy: 0.14895465627291973
Energy: 0.005659191900463925
Energy: 0.14895465626508286
Energy: 0.14895465626259208
Energy: 0.0056591919054455085
Energy: 0.1489546562547552
Energy: 0.14895465625653723
Energy: 0.005659191902245954
Energy: 0.14895465626330084
Energy: 0.14895465626508286
Energy: 0.005659191898327513
Energy: 0.14895465626508286
Energy: 0.14895465626580176
Energy: 0.005659191910437218
Energy: 0.1489546562714921
Energy: 0.14895465625546395
Energy: 0.0056591919015270675
Energy: 0.005659191899390657
Energy: 0.0056591919015270675
Energy: 0.005659191903309098
Energy: 0.14895465626259208
Energy: 0.14895465626686488
Energy: 0.00565919190579989
Energy: 0.14895465626508286
Energy: 0.14895465625011786
   minimum gb energy = 0.005659191887635333 eV
   minimum distance = 2.80548786670447 Angstroms
   sigma value = 1