model_name=EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005
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=4.032082033157349
cohesive_energy=3.360264254236775
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.010418265793638476
Energy: 0.010418265796103296
Energy: 0.010418265795627138
Energy: 0.010418265796607465
Energy: 0.010418265795122969
Energy: 0.010418265797111633
Energy: 0.010418265798568117
Energy: 0.010418265796607465
Energy: 0.010418265796103296
Energy: 0.010418265796607465
Energy: 0.01041826579758779
Energy: 0.01041826579464681
Energy: 0.010418265796103296
Energy: 0.010418265796607465
Energy: 0.010418265796103296
Energy: 0.010418265796103296
Energy: 0.010418265796103296
Energy: 0.010418265795627138
Energy: 0.010418265797111633
Energy: 0.010418265796607465
Energy: 0.010418265796607465
Energy: 0.010418265796607465
Energy: 0.010418265798091958
Energy: 0.010418265801032939
Energy: 0.010418265794142642
Energy: 0.01041826579758779
Energy: 0.010418265796103296
Energy: 0.010418265797111633
Energy: 0.010418265795122969
Energy: 0.010418265795122969
   minimum gb energy = 0.010418265793638476 eV
   minimum distance = 2.85101414388241 Angstroms
   sigma value = 1

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

Energy: 0.4341724897828546
Energy: 0.39665891154788213
Energy: 0.3966588866682288
Energy: 0.3902001329725321
Energy: 0.3966600533515305
Energy: 0.39665998578349027
Energy: 0.3903388693602257
Energy: 0.44633476294046115
Energy: 0.4463347892816314
Energy: 0.40340888561323157
Energy: 0.3834282683525888
Energy: 0.38343015883456366
Energy: 0.40754167871914276
Energy: 0.3970343649407589
Energy: 0.39703413836264057
Energy: 0.39703413836264057
Energy: 0.4066327606275291
Energy: 0.4066329850125224
Energy: 0.39083626614231187
Energy: 0.3970339785111624
Energy: 0.39703406490298204
Energy: 0.4048437427715761
Energy: 0.4317879469700356
Energy: 0.4317882045086026
Energy: 0.3992133412014124
Energy: 0.46112930117385703
Energy: 0.46112930125449425
Energy: 0.4280014996531056
Energy: 0.41403494270812186
Energy: 0.4140353341126056
   minimum gb energy = 0.3834282683525888 eV
   minimum distance = 2.59159631769284 Angstroms
   sigma value = 113

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

Energy: 0.4532169781997076
Energy: 0.41749776793414617
Energy: 0.4174980199413072
Energy: 0.4174980199413072
Energy: 0.4187017169844453
Energy: 0.41870205075397077
Energy: 0.40268788777664066
Energy: 0.41384396743216856
Energy: 0.41384413354703553
Energy: 0.39927794080312634
Energy: 0.41625669608488275
Energy: 0.4162566978377704
Energy: 0.38755193459163356
Energy: 0.41671846053828027
Energy: 0.41671828372817704
Energy: 0.44221314966074665
Energy: 0.4160098767369281
Energy: 0.416010188591095
Energy: 0.3859724647051728
Energy: 0.4135932799909311
Energy: 0.41359293672610525
Energy: 0.3988599343878589
Energy: 0.416256714792526
Energy: 0.41625684343418673
Energy: 0.3985701849885252
Energy: 0.41384444983659996
Energy: 0.4138430862059287
Energy: 0.4005543110087084
Energy: 0.43109662907078244
Energy: 0.43109580136251896
   minimum gb energy = 0.3859724647051728 eV
   minimum distance = 2.63508263238224 Angstroms
   sigma value = 197

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

Energy: 0.4610654047878754
Energy: 0.42145845095637546
Energy: 0.4214579189321785
Energy: 0.4120648136980075
Energy: 0.4214584510266651
Energy: 0.42145843056202
Energy: 0.43280344788981495
Energy: 0.41050632086185906
Energy: 0.41050546774718266
Energy: 0.4106743804408812
Energy: 0.5083257449751881
Energy: 0.5083103246422819
Energy: 0.42105250520421306
Energy: 0.4287839612411505
Energy: 0.4287839684983116
Energy: 0.4287839684983116
Energy: 0.4330195480507802
Energy: 0.43301955139234166
Energy: 0.41119786537143455
Energy: 0.41584636651547335
Energy: 0.4158460874494971
Energy: 0.4210576400222938
Energy: 0.5147819271135556
Energy: 0.5147845717379494
Energy: 0.464012859155005
Energy: 0.4158461255474705
Energy: 0.41584635212925364
Energy: 0.40693526331500274
Energy: 0.4330186222748519
Energy: 0.43301915790210854
   minimum gb energy = 0.40693526331500274 eV
   minimum distance = 2.63458042614234 Angstroms
   sigma value = 169

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

Energy: 0.4759408168133787
Energy: 0.44076313483933355
Energy: 0.4407631367900137
Energy: 0.4267444869722488
Energy: 0.4880744074599313
Energy: 0.4880743805086204
Energy: 0.45989621147890347
Energy: 0.4368907657490914
Energy: 0.43689074495298896
Energy: 0.42530568962674714
Energy: 0.44234027480908145
Energy: 0.44234031106322824
Energy: 0.44010460369932286
Energy: 0.49591850492141454
Energy: 0.4959188486509366
Energy: 0.462435844362623
Energy: 0.4455502231595165
Energy: 0.44555021407521744
Energy: 0.4401049044772785
Energy: 0.5338851288639771
Energy: 0.5338846235991828
Energy: 0.41916475893374566
Energy: 0.4414794244248033
Energy: 0.4414794260759256
Energy: 0.4362293160312543
Energy: 0.4335583724646265
Energy: 0.4335583768361277
Energy: 0.4330506364366883
Energy: 0.4599643289473613
Energy: 0.45996427221998615
   minimum gb energy = 0.41916475893374566 eV
   minimum distance = 2.59310628006928 Angstroms
   sigma value = 145

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

Energy: 0.4915535930100036
Energy: 0.463771129601578
Energy: 0.46377112460914655
Energy: 0.4622707789430162
Energy: 0.5024591148914737
Energy: 0.502459103914466
Energy: 0.4464138848464192
Energy: 0.4517889478836776
Energy: 0.45178893589533403
Energy: 0.44348229209305334
Energy: 0.522196715612208
Energy: 0.522194138709308
Energy: 0.49936138750288583
Energy: 0.46806657096462284
Energy: 0.46806657105917954
Energy: 0.42240577225019704
Energy: 0.46376304488121595
Energy: 0.4637630935420914
Energy: 0.45662538165916083
Energy: 0.45045735028083816
Energy: 0.4504573485985579
Energy: 0.45662537973019357
Energy: 0.48962825554247225
Energy: 0.4896286260708899
Energy: 0.4336463195522155
Energy: 0.45084100907691554
Energy: 0.4508412285054104
Energy: 0.4566253797422236
Energy: 0.44933710413871153
Energy: 0.4493370886796469
   minimum gb energy = 0.42240577225019704 eV
   minimum distance = 2.58365470261298 Angstroms
   sigma value = 61

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

Energy: 0.5115347696905109
Energy: 0.4729668684584705
Energy: 0.4729666430783437
Energy: 0.45099438914442497
Energy: 0.47415020325475615
Energy: 0.47415020355432874
Energy: 0.46609394874568055
Energy: 0.5330824294906479
Energy: 0.5330824298799407
Energy: 0.4505161575884966
Energy: 0.5200723441617227
Energy: 0.5200723435292446
Energy: 0.4664785790578743
Energy: 0.4877137039489775
Energy: 0.48771365754797885
Energy: 0.46647742218959104
Energy: 0.4955542455890891
Energy: 0.49555425700131994
Energy: 0.4638405362119122
Energy: 0.4955543200911608
Energy: 0.4955542520228096
Energy: 0.46785796307435273
Energy: 0.4874139276865856
Energy: 0.4874131708339999
Energy: 0.46609371517214526
Energy: 0.5622974709099755
Energy: 0.5622974552733386
Energy: 0.4808908643352898
Energy: 0.47296664309254643
Energy: 0.47296664432468255
   minimum gb energy = 0.4505161575884966 eV
   minimum distance = 2.6176813299218 Angstroms
   sigma value = 101

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

Energy: 0.5035105567248632
Energy: 0.49588838247698075
Energy: 0.4958904796722705
Energy: 0.4872022885735687
Energy: 0.49674277029846375
Energy: 0.4967433853796231
Energy: 0.4613379544274666
Energy: 0.4967437176641951
Energy: 0.4967423300247872
Energy: 0.45388892698653677
Energy: 0.49674265188784333
Energy: 0.4967424180448005
Energy: 0.467462569731428
Energy: 0.49586384992211047
Energy: 0.4958638211150289
Energy: 0.460628568004498
Energy: 0.4958638301674091
Energy: 0.495863830928711
Energy: 0.5027332346524149
Energy: 0.4967435433822943
Energy: 0.49674238148904887
Energy: 0.46439899722375316
Energy: 0.4967426879571594
Energy: 0.49674224725742505
Energy: 0.4872013562992123
Energy: 0.4967424467691845
Energy: 0.4967435532035978
Energy: 0.48528847314655366
Energy: 0.4958904422855849
Energy: 0.49589061646410154
   minimum gb energy = 0.45388892698653677 eV
   minimum distance = 2.61656303829853 Angstroms
   sigma value = 81

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

Energy: 0.5209342788562206
Energy: 0.518608672045747
Energy: 0.5186095931012551
Energy: 0.5018869521254543
Energy: 0.48670847157492614
Energy: 0.4867089635497713
Energy: 0.5549527146604022
Energy: 0.4930943636425398
Energy: 0.49309497084292
Energy: 0.5525565211839122
Energy: 0.48798736965034045
Energy: 0.48798627217049073
Energy: 0.5123701343920988
Energy: 0.5144628318071597
Energy: 0.5144623541943137
Energy: 0.5123723187020602
Energy: 0.5144635152205093
Energy: 0.5144625092159281
Energy: 0.5702673391197753
Energy: 0.49447385458337434
Energy: 0.49447381795378414
Energy: 0.5189992461802305
Energy: 0.49309486426677435
Energy: 0.49309533582593434
Energy: 0.5018869207678985
Energy: 0.4867092457111588
Energy: 0.4867084537506087
Energy: 0.529936530018862
Energy: 0.5143824970736509
Energy: 0.5143823681027888
   minimum gb energy = 0.4867084537506087 eV
   minimum distance = 2.59113710750578 Angstroms
   sigma value = 1

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

Energy: 0.5384922341239986
Energy: 0.536418703570177
Energy: 0.5364186861627787
Energy: 0.5401629267587017
Energy: 0.5027364207774627
Energy: 0.5027364193131718
Energy: 0.5057752732811026
Energy: 0.5332751349600563
Energy: 0.5332680308523711
Energy: 0.5085499988235975
Energy: 0.537106926879205
Energy: 0.5371088255965984
Energy: 0.5124351374986539
Energy: 0.5773930766081621
Energy: 0.5773930030366659
Energy: 0.5145823863735604
Energy: 0.5170971268932087
Energy: 0.5170968112413683
Energy: 0.5209333785596788
Energy: 0.5371081140479622
Energy: 0.5371088873166805
Energy: 0.5108650600122625
Energy: 0.569130518618316
Energy: 0.5691318130779831
Energy: 0.4808758437320845
Energy: 0.5469487738627988
Energy: 0.5469491590660795
Energy: 0.5298934506321635
Energy: 0.5437554847195233
Energy: 0.5437554609912859
   minimum gb energy = 0.4808758437320845 eV
   minimum distance = 2.52776087242107 Angstroms
   sigma value = 229

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

Energy: 0.5670701983966513
Energy: 0.5409037923451073
Energy: 0.5409037917555661
Energy: 0.6045386863276728
Energy: 0.5169952082333483
Energy: 0.5169952039540101
Energy: 0.5618254542459822
Energy: 0.5280251006158448
Energy: 0.5280248673998889
Energy: 0.5026914528128787
Energy: 0.5722453416819946
Energy: 0.5722451270335415
Energy: 0.5082032439301754
Energy: 0.5417211368233772
Energy: 0.5417213234181787
Energy: 0.49270902395429256
Energy: 0.5408061389604661
Energy: 0.5408060142003964
Energy: 0.5033828693456448
Energy: 0.6087701858205498
Energy: 0.6088026182308457
Energy: 0.4810559701518432
Energy: 0.5426214483411096
Energy: 0.5426212269966558
Energy: 0.5136661671259496
Energy: 0.530490031317656
Energy: 0.5304894406002476
Energy: 0.5147947266883163
Energy: 0.5409041267829975
Energy: 0.5409037917799666
   minimum gb energy = 0.4810559701518432 eV
   minimum distance = 2.59658838853513 Angstroms
   sigma value = 25

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

Energy: 0.598531120248646
Energy: 0.5420173446723486
Energy: 0.5420196492351359
Energy: 0.4964292781391655
Energy: 0.5605882285288598
Energy: 0.5605848246871662
Energy: 0.5110416346622773
Energy: 0.5708321272233462
Energy: 0.5708337741528281
Energy: 0.5082712269324503
Energy: 0.5374243039639941
Energy: 0.5374284816922956
Energy: 0.5399674010694095
Energy: 0.5420180445246766
Energy: 0.54201635911457
Energy: 0.5375899257795671
Energy: 0.5398817513368317
Energy: 0.5398817266511402
Energy: 0.5435599234334673
Energy: 0.531601361922328
Energy: 0.5316013532178442
Energy: 0.5316016801641736
Energy: 0.5302029759606051
Energy: 0.530202300403263
Energy: 0.5255175832244182
Energy: 0.5862240929847001
Energy: 0.5862231006072075
Energy: 0.5213031385325444
Energy: 0.5631978985063814
Energy: 0.5632062749450658
   minimum gb energy = 0.4964292781391655 eV
   minimum distance = 2.57550865965873 Angstroms
   sigma value = 173

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

Energy: 0.5571792861592736
Energy: 0.5748407315001269
Energy: 0.5748404427269217
Energy: 0.5413758865145577
Energy: 0.5272768226314286
Energy: 0.527276930850901
Energy: 0.5763686131138845
Energy: 0.59528979559493
Energy: 0.59528982844483
Energy: 0.5641156415357241
Energy: 0.5775278578456803
Energy: 0.5775277368011987
Energy: 0.5272768011338238
Energy: 0.5262824030322948
Energy: 0.5252506073080583
Energy: 0.5260384234797147
Energy: 0.5252944323453576
Energy: 0.5252943822669126
Energy: 0.5794891705986775
Energy: 0.5611149615534148
Energy: 0.5611145726411676
Energy: 0.5193665183351921
Energy: 0.5744625332571642
Energy: 0.5744625275267548
Energy: 0.5474917546798413
Energy: 0.5260376562095936
Energy: 0.5260370264737015
Energy: 0.5382616582686878
Energy: 0.5314821799504358
Energy: 0.5314825231877922
   minimum gb energy = 0.5193665183351921 eV
   minimum distance = 2.5703138108363 Angstroms
   sigma value = 9

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

Energy: 0.6042145249531051
Energy: 0.5960506407897473
Energy: 0.5960503089018558
Energy: 0.5452355189799031
Energy: 0.712841457224146
Energy: 0.712840852522271
Energy: 0.5651858124254325
Energy: 0.5494089973786394
Energy: 0.5494083914951772
Energy: 0.5799649068908168
Energy: 0.5841344975491787
Energy: 0.5841342690985472
Energy: 0.5495631362393985
Energy: 0.5494079246612946
Energy: 0.5494079425044917
Energy: 0.5654775598987943
Energy: 0.5722850511691436
Energy: 0.5722847724388469
Energy: 0.5404381870926608
Energy: 0.548682459074348
Energy: 0.5486824587640602
Energy: 0.578075443469228
Energy: 0.5371228306651178
Energy: 0.5371228310648525
Energy: 0.5600190756234646
Energy: 0.5429245158721986
Energy: 0.5429245540046002
Energy: 0.5804250990777322
Energy: 0.5491985649215432
Energy: 0.5491980054772472
   minimum gb energy = 0.5371228306651178 eV
   minimum distance = 2.52247352749331 Angstroms
   sigma value = 31

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

Energy: 0.5640967447426584
Energy: 0.5437119635064959
Energy: 0.543711964476706
Energy: 0.5303236711278239
Energy: 0.5399903287834855
Energy: 0.5399903287206667
Energy: 0.6102396460536036
Energy: 0.6285320999975162
Energy: 0.6285321119561323
Energy: 0.5800197929280719
Energy: 0.5340904449233193
Energy: 0.5340904105713842
Energy: 0.5626761626863057
Energy: 0.5370013162777336
Energy: 0.5370013199083316
Energy: 0.5269673241026451
Energy: 0.5399903287554709
Energy: 0.5399903287235671
Energy: 0.49933058244054135
Energy: 0.5437119634900606
Energy: 0.5437119638862656
Energy: 0.4993305816887361
Energy: 0.5269664619821809
Energy: 0.5269664621416341
Energy: 0.5598888962162819
Energy: 0.5838755158877977
Energy: 0.5838755150692845
Energy: 0.5598888961650644
Energy: 0.5838755182804746
Energy: 0.5838755150432033
   minimum gb energy = 0.4993305816887361 eV
   minimum distance = 2.53797400995501 Angstroms
   sigma value = 25

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

Energy: 0.6136282381909568
Energy: 0.5781834530074521
Energy: 0.5781808515813338
Energy: 0.5874710293006628
Energy: 0.5553658435246779
Energy: 0.5553675556164792
Energy: 0.6002632279666175
Energy: 0.5519078791346131
Energy: 0.5519086983432291
Energy: 0.5716556042249223
Energy: 0.582407900212027
Energy: 0.5824078550559872
Energy: 0.5689309302812291
Energy: 0.5648283707518477
Energy: 0.5653323753003265
Energy: 0.6070441977586827
Energy: 0.5604310597246974
Energy: 0.5604300926241985
Energy: 0.5445244183400031
Energy: 0.5824078970100572
Energy: 0.5824078983119853
Energy: 0.592498153067848
Energy: 0.5503592536546109
Energy: 0.5503593653090757
Energy: 0.594409565901526
Energy: 0.5594636072736235
Energy: 0.5594630129291144
Energy: 0.5243264898474418
Energy: 0.5824078566056871
Energy: 0.5824078789801308
   minimum gb energy = 0.5243264898474418 eV
   minimum distance = 2.50930153316493 Angstroms
   sigma value = 205

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

Energy: 0.6185352999485055
Energy: 0.5825966027022127
Energy: 0.5825980930918283
Energy: 0.5431134910688145
Energy: 0.6509688919647916
Energy: 0.6509692604881853
Energy: 0.5798216646683311
Energy: 0.6131588677199141
Energy: 0.6131590146630957
Energy: 0.5714433197387842
Energy: 0.5536813346276531
Energy: 0.5536834476869499
Energy: 0.5729173570035299
Energy: 0.5502045795694067
Energy: 0.5501844400029812
Energy: 0.627032839131286
Energy: 0.5607451002013591
Energy: 0.5607454776571218
Energy: 0.5754865650562941
Energy: 0.548169067010993
Energy: 0.548169137531603
Energy: 0.5341871743044837
Energy: 0.5481697027090973
Energy: 0.5481700196332729
Energy: 0.6115085358968599
Energy: 0.5578566848595415
Energy: 0.5578567758204656
Energy: 0.5675414125634246
Energy: 0.5555557776330488
Energy: 0.5555557404519256
   minimum gb energy = 0.5341871743044837 eV
   minimum distance = 2.54678474385846 Angstroms
   sigma value = 85

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

Energy: 0.6104598162136714
Energy: 0.564472418138603
Energy: 0.5644724184699033
Energy: 0.5341366087899427
Energy: 0.5667279119894075
Energy: 0.566729632702913
Energy: 0.5742035494800963
Energy: 0.568071612933262
Energy: 0.5680711045643256
Energy: 0.5799952037716073
Energy: 0.5880985763061285
Energy: 0.588102160656542
Energy: 0.5774728609616677
Energy: 0.6041194689412602
Energy: 0.6041181240163536
Energy: 0.5738880496688458
Energy: 0.5875069121010322
Energy: 0.5875069120655946
Energy: 0.602069484779038
Energy: 0.5637582955487744
Energy: 0.5637582983822769
Energy: 0.5853536975312629
Energy: 0.5997772418250567
Energy: 0.5997767074982416
Energy: 0.5755682915143993
Energy: 0.5597494571154364
Energy: 0.5597494565167581
Energy: 0.51440196852081
Energy: 0.578742382947675
Energy: 0.5787421190976901
   minimum gb energy = 0.51440196852081 eV
   minimum distance = 2.51211609841889 Angstroms
   sigma value = 89

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

Energy: 0.5416238083600637
Energy: 0.5979045338805696
Energy: 0.5979045651164745
Energy: 0.6418447621992672
Energy: 0.5019691620252388
Energy: 0.5019691638262411
Energy: 0.6723571221591337
Energy: 0.5979045326353105
Energy: 0.5979045452852598
Energy: 0.5019691621543108
Energy: 0.5650205988900137
Energy: 0.5650205964711776
Energy: 0.641365353388816
Energy: 0.5955842194975217
Energy: 0.5955847479011374
Energy: 0.5019691630315111
Energy: 0.589698534501795
Energy: 0.5897011286736297
Energy: 0.5913268631689823
Energy: 0.6661224152486839
Energy: 0.6661224181957638
Energy: 0.5586990421822423
Energy: 0.5896993826702542
Energy: 0.5896986112309208
Energy: 0.5593481810301555
Energy: 0.5979045824595075
Energy: 0.5979045925448105
Energy: 0.519486885590684
Energy: 0.5019692006300116
Energy: 0.5019691942255693
   minimum gb energy = 0.5019691620252388 eV
   minimum distance = 2.60870537021325 Angstroms
   sigma value = 17

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

Energy: 0.6232071381802399
Energy: 0.5687092908103729
Energy: 0.5687090374714895
Energy: 0.5758616551438229
Energy: 0.6056851649189147
Energy: 0.6056838630071224
Energy: 0.6113333824897172
Energy: 0.58463306890364
Energy: 0.5846189216636741
Energy: 0.5916770216496983
Energy: 0.5793494456487258
Energy: 0.5793491488567328
Energy: 0.5977810024354536
Energy: 0.6051198530768761
Energy: 0.60511896844756
Energy: 0.609743268033865
Energy: 0.6093362542296915
Energy: 0.6093364914186944
Energy: 0.5829265514124207
Energy: 0.5729439239617865
Energy: 0.5729439245861111
Energy: 0.5700280501677601
Energy: 0.5852603001734337
Energy: 0.5852538493289975
Energy: 0.6261765531271954
Energy: 0.6035952834170091
Energy: 0.6035961353281828
Energy: 0.5582708507339899
Energy: 0.5793471055964858
Energy: 0.5793477226039787
   minimum gb energy = 0.5582708507339899 eV
   minimum distance = 2.51090401911316 Angstroms
   sigma value = 241

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

Energy: 0.6032174036962838
Energy: 0.5968285266588972
Energy: 0.5968204357080908
Energy: 0.5537286563428249
Energy: 0.601417433826052
Energy: 0.6014175857415776
Energy: 0.6251203247398224
Energy: 0.6392118766189895
Energy: 0.6392118074226812
Energy: 0.5537286726514772
Energy: 0.5968205581001693
Energy: 0.5968204358541492
Energy: 0.5894007100865606
Energy: 0.5968205237498743
Energy: 0.5968204424019009
Energy: 0.6440896085595766
Energy: 0.6444938954853199
Energy: 0.6444947697076377
Energy: 0.5651234638851066
Energy: 0.5657879028013346
Energy: 0.5657877347404899
Energy: 0.5537296692140494
Energy: 0.5968207423525562
Energy: 0.5968208372087386
Energy: 0.5894015275943997
Energy: 0.5813423526659254
Energy: 0.5813421640149414
Energy: 0.6284701487308708
Energy: 0.5995319991902373
Energy: 0.5995318724272133
   minimum gb energy = 0.5537286563428249 eV
   minimum distance = 2.51287910947427 Angstroms
   sigma value = 65

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

Energy: 0.5809107162745109
Energy: 0.5753764009076939
Energy: 0.5753769197106932
Energy: 0.5621721869968421
Energy: 0.5423897322190983
Energy: 0.5423878357477839
Energy: 0.5537789384017645
Energy: 0.5954064423042207
Energy: 0.5954064394635321
Energy: 0.5658125454509569
Energy: 0.531123883088394
Energy: 0.531123835132398
Energy: 0.686551911051481
Energy: 0.5809097403148947
Energy: 0.5809115469447639
Energy: 0.6504895425831558
Energy: 0.5800796037182515
Energy: 0.5800792872776045
Energy: 0.5537793127053132
Energy: 0.5954173066013272
Energy: 0.5954173060246514
Energy: 0.5516666549562284
Energy: 0.5704856492372362
Energy: 0.5704856775202346
Energy: 0.5809104559457162
Energy: 0.5753769854891904
Energy: 0.5753765912730908
Energy: 0.5154635470613699
Energy: 0.6058082861715262
Energy: 0.6058119712992986
   minimum gb energy = 0.5154635470613699 eV
   minimum distance = 2.55687008785021 Angstroms
   sigma value = 53

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

Energy: 0.5790566673120057
Energy: 0.5605349885936206
Energy: 0.5605349729579172
Energy: 0.645969062254518
Energy: 0.5832471042254931
Energy: 0.5832471329454639
Energy: 0.5604649778027834
Energy: 0.5802977658086454
Energy: 0.5802969670063421
Energy: 0.5476888947074968
Energy: 0.630100843970035
Energy: 0.6301011005865734
Energy: 0.6893199733059525
Energy: 0.620491220617564
Energy: 0.6204866686954452
Energy: 0.5476889125307615
Energy: 0.6431008611635646
Energy: 0.6431008560163299
Energy: 0.5494354147906967
Energy: 0.5946043349139863
Energy: 0.5946055438864566
Energy: 0.6198353744952858
Energy: 0.5832471906686242
Energy: 0.5832474337091044
Energy: 0.5790564033526443
Energy: 0.5605349839292054
Energy: 0.5605349509728668
Energy: 0.6345221878889609
Energy: 0.5876549142073191
Energy: 0.5876543627984262
   minimum gb energy = 0.5476888947074968 eV
   minimum distance = 2.5240112180675 Angstroms
   sigma value = 109

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

Energy: 0.6042664635386681
Energy: 0.5990620436052847
Energy: 0.599064018659921
Energy: 0.5590382008112055
Energy: 0.5989729526921064
Energy: 0.5989715744945155
Energy: 0.5719601915605539
Energy: 0.5804714411344883
Energy: 0.5804717943596381
Energy: 0.5781625420469768
Energy: 0.5946610629325852
Energy: 0.5946601220894724
Energy: 0.6687890943628395
Energy: 0.6042672527336646
Energy: 0.6042679772852636
Energy: 0.5781624979535525
Energy: 0.5946601314980754
Energy: 0.5946602004514455
Energy: 0.5719601650055349
Energy: 0.5804723213521861
Energy: 0.5804737272593807
Energy: 0.5590378517946126
Energy: 0.5989736224472925
Energy: 0.5989826744775201
Energy: 0.6042664195731173
Energy: 0.5990645858420449
Energy: 0.599061983989909
Energy: 0.5590378349412743
Energy: 0.5989795430345759
Energy: 0.5989722872512424
   minimum gb energy = 0.5590378349412743 eV
   minimum distance = 2.50468337548537 Angstroms
   sigma value = 185

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

Energy: 0.48408989084227605
Energy: 0.48408989074877806
Energy: 0.48408989170083466
Energy: 0.5844479635613491
Energy: 0.4820317409890474
Energy: 0.48203174318609016
Energy: 0.4969639054208545
Energy: 0.544652842661689
Energy: 0.5446528403399703
Energy: 0.6167483893519916
Energy: 0.4820317766639953
Energy: 0.4820317441724423
Energy: 0.48408989522392587
Energy: 0.48408995344910244
Energy: 0.4840899220670184
Energy: 0.584447705445882
Energy: 0.4820317483873618
Energy: 0.48203173848345066
Energy: 0.4969639636538254
Energy: 0.5446528403010336
Energy: 0.544652840410085
Energy: 0.6167483893738159
Energy: 0.5142051096535885
Energy: 0.514205108542596
Energy: 0.4840899158201922
Energy: 0.4840898905290809
Energy: 0.48408989085630605
Energy: 0.5844476826681265
Energy: 0.51420510885735
Energy: 0.5142051084007724
   minimum gb energy = 0.48203173848345066 eV
   minimum distance = 2.5936787281715 Angstroms
   sigma value = 9

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

Energy: 0.5884855228619746
Energy: 0.561009274723165
Energy: 0.5610097163295547
Energy: 0.6932527367527018
Energy: 0.6152828898552899
Energy: 0.6152826941266223
Energy: 0.5567274708938055
Energy: 0.578802327816491
Energy: 0.5788030191726181
Energy: 0.5654168261350827
Energy: 0.5798268616235526
Energy: 0.5798180016876568
Energy: 0.5965375260901441
Energy: 0.6314196987772487
Energy: 0.6314146565734451
Energy: 0.5604894552641879
Energy: 0.5764008098939104
Energy: 0.5764007650040901
Energy: 0.7167705351813838
Energy: 0.5880821934928973
Energy: 0.5880809917515012
Energy: 0.5798244752890404
Energy: 0.6033302730329234
Energy: 0.6033321146718293
Energy: 0.6837745447138128
Energy: 0.5706523632257553
Energy: 0.5706518024949414
Energy: 0.5716592162813041
Energy: 0.5599839173817632
Energy: 0.5599802855347146
   minimum gb energy = 0.5567274708938055 eV
   minimum distance = 2.50526262664544 Angstroms
   sigma value = 221

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

Energy: 0.5834589940656288
Energy: 0.5850095338233611
Energy: 0.5850094317851987
Energy: 0.5277730537353107
Energy: 0.5842947367261635
Energy: 0.5842947300094177
Energy: 0.5166358681023948
Energy: 0.6154809708319937
Energy: 0.6154809600586744
Energy: 0.533244795437005
Energy: 0.6206390974462181
Energy: 0.6206390974424276
Energy: 0.5792930422222308
Energy: 0.5831641798848817
Energy: 0.5831637104735856
Energy: 0.6428850808471835
Energy: 0.5740296076015396
Energy: 0.574029663081343
Energy: 0.7080204140782332
Energy: 0.5166364808791356
Energy: 0.5166388154147951
Energy: 0.6406329096246977
Energy: 0.5100269163094382
Energy: 0.5100251437158143
Energy: 0.6704772958751682
Energy: 0.5856255221331466
Energy: 0.5856235266432381
Energy: 0.6402674299922767
Energy: 0.5866738546867859
Energy: 0.5866738552471114
   minimum gb energy = 0.5100251437158143 eV
   minimum distance = 2.57780700138712 Angstroms
   sigma value = 137

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

Energy: 0.5337219245589162
Energy: 0.6125426828031069
Energy: 0.6125420322191301
Energy: 0.7039287569173985
Energy: 0.5547191867391105
Energy: 0.5547235480151045
Energy: 0.6212405314364599
Energy: 0.6142684862165333
Energy: 0.6142674014440886
Energy: 0.5461854205572629
Energy: 0.6210765763570303
Energy: 0.6210739601528109
Energy: 0.614169421797604
Energy: 0.6058621159021199
Energy: 0.6058625713206047
Energy: 0.5461861109634142
Energy: 0.6140242445769613
Energy: 0.6140231831545349
Energy: 0.7105863503667941
Energy: 0.6334348848129835
Energy: 0.6334324234549689
Energy: 0.5461850836087153
Energy: 0.5922926315145527
Energy: 0.5922948191330863
Energy: 0.658118036921785
Energy: 0.5536577035827817
Energy: 0.5536583170113443
Energy: 0.5461851666723784
Energy: 0.553657893437911
Energy: 0.5536577084992832
   minimum gb energy = 0.5337219245589162 eV
   minimum distance = 2.57490139049757 Angstroms
   sigma value = 73

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

Energy: 0.5805124513644293
Energy: 0.5846456253289657
Energy: 0.5846456528682429
Energy: 0.5651573124192522
Energy: 0.588846186717179
Energy: 0.5888462220450542
Energy: 0.5734658122299099
Energy: 0.6075611012970557
Energy: 0.6075554520296597
Energy: 0.5231503290001093
Energy: 0.5846495993313058
Energy: 0.5846455890795271
Energy: 0.6041621292091036
Energy: 0.5724062480461334
Energy: 0.5724064430296151
Energy: 0.5376871301838771
Energy: 0.5805449592062871
Energy: 0.5805476249288815
Energy: 0.5346183256535957
Energy: 0.6127489084169557
Energy: 0.6127484570757393
Energy: 0.5698887921441146
Energy: 0.581642186346778
Energy: 0.5816426212673889
Energy: 0.5585192818935681
Energy: 0.566905993084128
Energy: 0.5669049830326679
Energy: 0.5730160465086078
Energy: 0.611142570788731
Energy: 0.6111424535512978
   minimum gb energy = 0.5231503290001093 eV
   minimum distance = 2.55895248885367 Angstroms
   sigma value = 97

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

Energy: 0.5613709388926277
Energy: 0.5724834030943474
Energy: 0.5724833944356555
Energy: 0.5568354125395316
Energy: 0.5502520159185724
Energy: 0.5502520200287709
Energy: 0.5848711474651695
Energy: 0.6200181258843256
Energy: 0.6200195296625264
Energy: 0.5466077430562432
Energy: 0.6134484077572733
Energy: 0.6134406838730079
Energy: 0.6895630111403078
Energy: 0.5170593889764683
Energy: 0.5170593517860794
Energy: 0.6359385864332704
Energy: 0.581701887712638
Energy: 0.581703253379941
Energy: 0.6041784885919274
Energy: 0.5372547304001204
Energy: 0.5372547542671084
Energy: 0.5908746304503125
Energy: 0.573401481108139
Energy: 0.5734014809068317
Energy: 0.6051465944844319
Energy: 0.6025965390679845
Energy: 0.6026009618163954
Energy: 0.554934881097238
Energy: 0.5857451484782557
Energy: 0.58574437210452
   minimum gb energy = 0.5170593517860794 eV
   minimum distance = 2.49907091650217 Angstroms
   sigma value = 7

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

Energy: 0.5363351981694006
Energy: 0.5398816596867839
Energy: 0.5398812061438245
Energy: 0.533004815287227
Energy: 0.6005669723374394
Energy: 0.6005730525619212
Energy: 0.6541050842724455
Energy: 0.5877184590095444
Energy: 0.5877164326899085
Energy: 0.5654865953603094
Energy: 0.6160467230866179
Energy: 0.6160322933058991
Energy: 0.5525895394623059
Energy: 0.6583953393110171
Energy: 0.6583941410095183
Energy: 0.5525909157658283
Energy: 0.5918425808286649
Energy: 0.5918582869803596
Energy: 0.5800024154147249
Energy: 0.5275902917379519
Energy: 0.5275901416022335
Energy: 0.6970000902935058
Energy: 0.5404578548333239
Energy: 0.5404579844405273
Energy: 0.5800035196674297
Energy: 0.5759521532800521
Energy: 0.5759614846854119
Energy: 0.5646310197395783
Energy: 0.590283071077872
Energy: 0.5902862992808922
   minimum gb energy = 0.5275901416022335 eV
   minimum distance = 2.4977844149173 Angstroms
   sigma value = 169

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

Energy: 0.5591464292953177
Energy: 0.5452389086870484
Energy: 0.5452396882637923
Energy: 0.5910850625077335
Energy: 0.5522816380540073
Energy: 0.5522815770393572
Energy: 0.5941673211751498
Energy: 0.6267385157872647
Energy: 0.626738513880543
Energy: 0.5470565261875893
Energy: 0.6183093276824982
Energy: 0.6183025535970176
Energy: 0.5284089157981767
Energy: 0.5957929502987527
Energy: 0.5957908567289624
Energy: 0.6437723787108671
Energy: 0.5497502038390332
Energy: 0.5497467640416709
Energy: 0.5376541445915386
Energy: 0.5740115226230558
Energy: 0.5740113160934325
Energy: 0.5402755053505036
Energy: 0.5656283481950085
Energy: 0.5656283475945847
Energy: 0.684459329958354
Energy: 0.5825902253647861
Energy: 0.5825932497646413
Energy: 0.5376517519953989
Energy: 0.5780975638940654
Energy: 0.5780992997262514
   minimum gb energy = 0.5284089157981767 eV
   minimum distance = 2.49603211198568 Angstroms
   sigma value = 29

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

Energy: 0.5332703983479119
Energy: 0.5424043491914982
Energy: 0.5424022088819145
Energy: 0.5554234542392132
Energy: 0.5748810498616956
Energy: 0.5748987436038874
Energy: 0.6435285642026132
Energy: 0.5389353795641756
Energy: 0.5389352819637656
Energy: 0.560150319042984
Energy: 0.590053686543955
Energy: 0.5900538574568591
Energy: 0.5641683496279272
Energy: 0.6420411020892925
Energy: 0.642038033320169
Energy: 0.5975895396438327
Energy: 0.5864345306517998
Energy: 0.5864319143599707
Energy: 0.5361093715871229
Energy: 0.6043393692541462
Energy: 0.604333675780614
Energy: 0.5592876956868911
Energy: 0.6625445384934857
Energy: 0.6625475577866898
Energy: 0.5758498036327354
Energy: 0.5845642795169999
Energy: 0.584559134531718
Energy: 0.6940689333011211
Energy: 0.6007808735818376
Energy: 0.6007805577989831
   minimum gb energy = 0.5332703983479119 eV
   minimum distance = 2.50340665698372 Angstroms
   sigma value = 97

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

Energy: 0.548861886301353
Energy: 0.5418476036783464
Energy: 0.5418518574958489
Energy: 0.5711704560549455
Energy: 0.5706237748424434
Energy: 0.5706213000293513
Energy: 0.597533792822942
Energy: 0.5484488202787078
Energy: 0.5484492630574951
Energy: 0.5545419500730455
Energy: 0.5579550700688035
Energy: 0.5579533979387412
Energy: 0.6987259302366077
Energy: 0.5443082403507519
Energy: 0.544307791755132
Energy: 0.6311484683435276
Energy: 0.6214429455699976
Energy: 0.6214437226167423
Energy: 0.5599685654033739
Energy: 0.6220765958607705
Energy: 0.6220789553458512
Energy: 0.5659736736214556
Energy: 0.5394545994610227
Energy: 0.5394505585745308
Energy: 0.5746735569656942
Energy: 0.6110922125329104
Energy: 0.6110963714653772
Energy: 0.541527388881308
Energy: 0.6129086896239541
Energy: 0.6129070549856901
   minimum gb energy = 0.5394505585745308 eV
   minimum distance = 2.51389009788478 Angstroms
   sigma value = 73

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

Energy: 0.540943310537922
Energy: 0.5399175418474086
Energy: 0.5399128574153225
Energy: 0.6623224319944538
Energy: 0.5414887732981518
Energy: 0.5414888364204533
Energy: 0.5475844815049262
Energy: 0.5667750505800614
Energy: 0.566775284105002
Energy: 0.6975501716270929
Energy: 0.5403366394183609
Energy: 0.5403372375398853
Energy: 0.586020152115017
Energy: 0.567832655287162
Energy: 0.567837647228817
Energy: 0.5988312544284647
Energy: 0.5385505583325381
Energy: 0.5385561979943694
Energy: 0.5568607955576037
Energy: 0.5816106368736849
Energy: 0.5815998412438922
Energy: 0.5590676026142929
Energy: 0.5426026687020599
Energy: 0.5425922346382807
Energy: 0.5645673981496815
Energy: 0.5372199257952243
Energy: 0.5372197731753974
Energy: 0.6106546500255665
Energy: 0.5656187272700637
Energy: 0.5656242098047898
   minimum gb energy = 0.5372197731753974 eV
   minimum distance = 2.56075194720403 Angstroms
   sigma value = 205

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

Energy: 0.5360971641977249
Energy: 0.5381998579536834
Energy: 0.538200624724419
Energy: 0.5473872105595475
Energy: 0.5595698317960919
Energy: 0.5595754513321626
Energy: 0.5533172837336675
Energy: 0.5649503311969444
Energy: 0.5649517431007575
Energy: 0.5618085644416748
Energy: 0.5803814283851193
Energy: 0.5803875903141276
Energy: 0.5604769149864008
Energy: 0.5821463363566736
Energy: 0.5821498248967811
Energy: 0.5856654528488012
Energy: 0.5716224329031965
Energy: 0.5716226159816746
Energy: 0.6191468324545296
Energy: 0.5457471967235049
Energy: 0.5457513377972564
Energy: 0.6333856054040816
Energy: 0.5301551529461521
Energy: 0.5301551534909019
Energy: 0.5627303455552488
Energy: 0.5394819184557532
Energy: 0.5394824352590704
Energy: 0.6166344842546054
Energy: 0.5436230693521837
Energy: 0.5436229941041327
   minimum gb energy = 0.5301551529461521 eV
   minimum distance = 2.56402692457636 Angstroms
   sigma value = 137

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

Energy: 0.4931516991955517
Energy: 0.525555800902688
Energy: 0.5255558008974021
Energy: 0.6166632857959808
Energy: 0.4931516941556532
Energy: 0.49315169293041994
Energy: 0.5914197941542503
Energy: 0.49351238973831135
Energy: 0.4935124242464153
Energy: 0.49315169301086287
Energy: 0.4716508340966066
Energy: 0.4716508340979343
Energy: 0.49315169421735705
Energy: 0.49315169390773556
Energy: 0.4931516933768771
Energy: 0.5650708799998188
Energy: 0.4935123897535181
Energy: 0.49351239106468087
Energy: 0.5581847646822349
Energy: 0.5099538749372046
Energy: 0.5099539509320592
Energy: 0.5650696596869953
Energy: 0.4931517489465582
Energy: 0.49315170798625696
Energy: 0.5650698846623002
Energy: 0.493151702658332
Energy: 0.4931517316188023
Energy: 0.5318039724920678
Energy: 0.5099538301562507
Energy: 0.5099540501918917
   minimum gb energy = 0.4716508340966066 eV
   minimum distance = 2.60733483940776 Angstroms
   sigma value = 5

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

Energy: 0.5111257184241598
Energy: 0.5318744143603682
Energy: 0.5318784405358963
Energy: 0.5072212385753959
Energy: 0.5635319757610426
Energy: 0.5635364290630974
Energy: 0.5161467936124413
Energy: 0.5615012178955252
Energy: 0.5615062131763743
Energy: 0.507564798193378
Energy: 0.5537468988957707
Energy: 0.5537433913753415
Energy: 0.5884050202284287
Energy: 0.530529705673211
Energy: 0.5305279063831979
Energy: 0.5421653543945497
Energy: 0.5048141136432064
Energy: 0.504816112612803
Energy: 0.5037643701762194
Energy: 0.5108321671656536
Energy: 0.5108320464653533
Energy: 0.5201703588355836
Energy: 0.5084080155981253
Energy: 0.5084182465769733
Energy: 0.5360542558472121
Energy: 0.5437638157369724
Energy: 0.5437636403558356
Energy: 0.5427868598690346
Energy: 0.6098138174664903
Energy: 0.6098121037466139
   minimum gb energy = 0.5037643701762194 eV
   minimum distance = 2.58456091585341 Angstroms
   sigma value = 289

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

Energy: 0.5102181336048034
Energy: 0.5330525848246234
Energy: 0.533051243326586
Energy: 0.5015229418591152
Energy: 0.5041763517491322
Energy: 0.5041780278041189
Energy: 0.552215655726163
Energy: 0.5023052888356889
Energy: 0.5022961594008702
Energy: 0.5302615513140496
Energy: 0.5563938360302337
Energy: 0.5563885154726868
Energy: 0.5189865621570462
Energy: 0.567261102698521
Energy: 0.5672684922372646
Energy: 0.567564198231183
Energy: 0.5253622619737003
Energy: 0.5253607680178
Energy: 0.5165041471363416
Energy: 0.568165995826496
Energy: 0.5681547284322915
Energy: 0.5262786032432475
Energy: 0.662668397073371
Energy: 0.6626789382395527
Energy: 0.5581597386845137
Energy: 0.504828510185639
Energy: 0.5048308258081531
Energy: 0.5885623433947049
Energy: 0.503168529515828
Energy: 0.5031685119803673
   minimum gb energy = 0.5015229418591152 eV
   minimum distance = 2.58441319821541 Angstroms
   sigma value = 109

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

Energy: 0.509223087519097
Energy: 0.5344545431256583
Energy: 0.5344545175684827
Energy: 0.534144707281521
Energy: 0.5298901397557958
Energy: 0.5298900056350424
Energy: 0.5108286606048995
Energy: 0.5312936180035674
Energy: 0.531298875795087
Energy: 0.5016382115403726
Energy: 0.5378709084598575
Energy: 0.5378777241634524
Energy: 0.5249278087451461
Energy: 0.5449583520182174
Energy: 0.5449565521253321
Energy: 0.567597978857739
Energy: 0.49800215202559267
Energy: 0.4980051584804602
Energy: 0.5096252122186732
Energy: 0.5401938658593978
Energy: 0.5401955275597967
Energy: 0.5081854332492847
Energy: 0.5745200536169854
Energy: 0.5745199814659503
Energy: 0.5111998196089009
Energy: 0.5016382115419462
Energy: 0.501638212289925
Energy: 0.5045310771259799
Energy: 0.5683382338096158
Energy: 0.5683382526618069
   minimum gb energy = 0.49800215202559267 eV
   minimum distance = 2.56183066678627 Angstroms
   sigma value = 157

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

Energy: 0.5080071886999902
Energy: 0.5359565496236445
Energy: 0.5359570296781095
Energy: 0.5025425414083766
Energy: 0.5651236465023152
Energy: 0.5651278582701365
Energy: 0.4921373704208818
Energy: 0.5625726199908127
Energy: 0.5625726595209767
Energy: 0.5222816618151223
Energy: 0.5068097603720018
Energy: 0.5068099550986247
Energy: 0.5604212337522911
Energy: 0.5563580931538293
Energy: 0.5563581217327555
Energy: 0.6304983352513113
Energy: 0.494831645673551
Energy: 0.4948316157914149
Energy: 0.5939132097508231
Energy: 0.49456722297779104
Energy: 0.4945670782109072
Energy: 0.4911426095751086
Energy: 0.5563590944302115
Energy: 0.5563623769174311
Energy: 0.5222788679042581
Energy: 0.5001654437385286
Energy: 0.5001651989296568
Energy: 0.49953737195543607
Energy: 0.5683207820371493
Energy: 0.5683188410247564
   minimum gb energy = 0.4911426095751086 eV
   minimum distance = 2.58247653063719 Angstroms
   sigma value = 53

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

Energy: 0.5140371283050139
Energy: 0.5253096447521665
Energy: 0.5253107090103254
Energy: 0.5921445921158065
Energy: 0.502029979131326
Energy: 0.502030471202752
Energy: 0.5018106350137294
Energy: 0.6215381557096689
Energy: 0.6215381711626284
Energy: 0.6427283970574822
Energy: 0.49715626663307283
Energy: 0.49715452636471363
Energy: 0.5092987817500199
Energy: 0.6923691506894378
Energy: 0.6923607504847846
Energy: 0.6383615055228071
Energy: 0.5021909276817351
Energy: 0.5021850662785733
Energy: 0.5173151380214469
Energy: 0.54300065177138
Energy: 0.5430118980991754
Energy: 0.5629452251121266
Energy: 0.5293621259268658
Energy: 0.5293626060418639
Energy: 0.5021404850126663
Energy: 0.5944388895146993
Energy: 0.5944388895250937
Energy: 0.6245942688021533
Energy: 0.49753323403997535
Energy: 0.49753428412498896
   minimum gb energy = 0.49715452636471363 eV
   minimum distance = 2.57241012942311 Angstroms
   sigma value = 1

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

Energy: 0.5104537776078666
Energy: 0.5142358988285467
Energy: 0.5142345774678213
Energy: 0.4986056874890708
Energy: 0.49888527275751376
Energy: 0.4988811264901931
Energy: 0.4999024353136819
Energy: 0.500706009752661
Energy: 0.5007088519522939
Energy: 0.4960407408590046
Energy: 0.5782457242650094
Energy: 0.578243279084812
Energy: 0.5524487407579793
Energy: 0.5218855767145142
Energy: 0.5218872544171634
Energy: 0.5073192095276832
Energy: 0.5815157988780634
Energy: 0.581525064115383
Energy: 0.5192494135845309
Energy: 0.5333764903024246
Energy: 0.5333706319343174
Energy: 0.4890993161237948
Energy: 0.5830536293916678
Energy: 0.5830510803314046
Energy: 0.48935158086627556
Energy: 0.5939919823265216
Energy: 0.5939972547772814
Energy: 0.5028113412080409
Energy: 0.5133809178080029
Energy: 0.5133710013592376
   minimum gb energy = 0.4890993161237948 eV
   minimum distance = 2.56924624122468 Angstroms
   sigma value = 3

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

Energy: 0.4904222134041727
Energy: 0.48353496332876117
Energy: 0.48354256927402456
Energy: 0.4718675463697927
Energy: 0.513481769933851
Energy: 0.5134811290316352
Energy: 0.4718663991896777
Energy: 0.704602179859729
Energy: 0.7046023606601602
Energy: 0.46848147569245835
Energy: 0.57863679592068
Energy: 0.5786365490245537
Energy: 0.49042459490695867
Energy: 0.49530372490851043
Energy: 0.49531811840982903
Energy: 0.5269626750391949
Energy: 0.4728284731475681
Energy: 0.47282847890236884
Energy: 0.5276020411344833
Energy: 0.4728274648237647
Energy: 0.47282746258353753
Energy: 0.49042375683988515
Energy: 0.5786367181877817
Energy: 0.5786365098243051
Energy: 0.4684824791876452
Energy: 0.5409771855210694
Energy: 0.5409768323825443
Energy: 0.4718626953698976
Energy: 0.4904236496577945
Energy: 0.490422213242773
   minimum gb energy = 0.46848147569245835 eV
   minimum distance = 2.57564864346541 Angstroms
   sigma value = 17

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

Energy: 0.5009418260029431
Energy: 0.501336633679772
Energy: 0.5013384916688637
Energy: 0.48738098462282053
Energy: 0.6091105123896575
Energy: 0.6090299905505508
Energy: 0.48104807428475227
Energy: 0.5577998740396206
Energy: 0.5577986710849664
Energy: 0.5330924531865953
Energy: 0.6029231635625946
Energy: 0.602921839225276
Energy: 0.5534404622507214
Energy: 0.47800532597996265
Energy: 0.4780090820241133
Energy: 0.5304214851876653
Energy: 0.4947997228834826
Energy: 0.4948009785304561
Energy: 0.4948033405445891
Energy: 0.5338700603747536
Energy: 0.5338679703988732
Energy: 0.4740404683481859
Energy: 0.5800356764004924
Energy: 0.5800361013107207
Energy: 0.4841456675626269
Energy: 0.5953232886203584
Energy: 0.5953212220087077
Energy: 0.47593139978313176
Energy: 0.6010843559702527
Energy: 0.6010866429828021
   minimum gb energy = 0.4740404683481859 eV
   minimum distance = 2.57098191246925 Angstroms
   sigma value = 233

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

Energy: 0.5299843477229894
Energy: 0.49482297800410124
Energy: 0.4948126210252584
Energy: 0.48288993268276387
Energy: 0.5165728305727033
Energy: 0.5165732532680197
Energy: 0.5322970070482689
Energy: 0.4819015893460145
Energy: 0.4819021409984391
Energy: 0.518675211322501
Energy: 0.5519059126728751
Energy: 0.5519061236089848
Energy: 0.4815948985303027
Energy: 0.5330022113974424
Energy: 0.5330043711189111
Energy: 0.4875687332792009
Energy: 0.5920527277616767
Energy: 0.5920539184551101
Energy: 0.48778428683449926
Energy: 0.5244044332729407
Energy: 0.524404418015216
Energy: 0.5968106205544933
Energy: 0.49479016583116436
Energy: 0.4947894434405762
Energy: 0.49108069286929434
Energy: 0.4895586672714363
Energy: 0.4895599756463488
Energy: 0.4763582760266525
Energy: 0.6115639369969057
Energy: 0.6115570526590786
   minimum gb energy = 0.4763582760266525 eV
   minimum distance = 2.49099070538497 Angstroms
   sigma value = 89

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

Energy: 0.5138256826572446
Energy: 0.491817047935685
Energy: 0.49182915859118004
Energy: 0.5946673338722854
Energy: 0.5048441161658396
Energy: 0.5048365688053419
Energy: 0.47441768074724855
Energy: 0.6865837401368036
Energy: 0.6865835275002197
Energy: 0.5810661067645144
Energy: 0.4681190572689018
Energy: 0.4681190567560792
Energy: 0.4667650324715895
Energy: 0.6458186000955872
Energy: 0.6458392056397435
Energy: 0.5832939464419501
Energy: 0.5087503667768413
Energy: 0.5087487749739796
Energy: 0.47588892712633374
Energy: 0.5865938109040872
Energy: 0.5865876627856335
Energy: 0.6083234619846394
Energy: 0.5243261106196946
Energy: 0.5243297951351709
Energy: 0.47325212706426073
Energy: 0.5615677654440023
Energy: 0.5615730324825547
Energy: 0.5971760490349031
Energy: 0.5246293620099752
Energy: 0.5246277679539597
   minimum gb energy = 0.4667650324715895 eV
   minimum distance = 2.49339388851528 Angstroms
   sigma value = 85

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

Energy: 0.5070866899179999
Energy: 0.48464743323736836
Energy: 0.4846473402587999
Energy: 0.4677070141869297
Energy: 0.6024879173621521
Energy: 0.6024857159633378
Energy: 0.47205182051033634
Energy: 0.5367488015304417
Energy: 0.536748694321336
Energy: 0.508318722500982
Energy: 0.47904372127754696
Energy: 0.47904737021153804
Energy: 0.46764503468242513
Energy: 0.4694791925387817
Energy: 0.46947919233596996
Energy: 0.47287322338528626
Energy: 0.6206926069468707
Energy: 0.6206927776298726
Energy: 0.4711605871928672
Energy: 0.520570257502879
Energy: 0.5205731797227351
Energy: 0.4660252992180145
Energy: 0.6003424687564989
Energy: 0.6003417915359524
Energy: 0.5030490217938458
Energy: 0.5003701959659886
Energy: 0.5003713028018661
Energy: 0.5558992581693829
Energy: 0.5186948905129208
Energy: 0.518697047827502
   minimum gb energy = 0.4660252992180145 eV
   minimum distance = 2.50992667491113 Angstroms
   sigma value = 69

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

Energy: 0.43124867425128416
Energy: 0.4312486918193152
Energy: 0.4312486809190811
Energy: 0.44072177857248557
Energy: 0.5796548593723303
Energy: 0.5796548516795718
Energy: 0.45209195475774083
Energy: 0.44744964433710577
Energy: 0.44744964377815444
Energy: 0.440721550766206
Energy: 0.44744964372212875
Energy: 0.4474497186667539
Energy: 0.4407213861542689
Energy: 0.44745184973063834
Energy: 0.44745202243301335
Energy: 0.6193081492404564
Energy: 0.44072142619653637
Energy: 0.4407211666557559
Energy: 0.4407211771036211
Energy: 0.4694387936381621
Energy: 0.46943801542307073
Energy: 0.4312486771703971
Energy: 0.5129227909883405
Energy: 0.5129228027960159
Energy: 0.4312486775380285
Energy: 0.44744969912667015
Energy: 0.4474511124597868
Energy: 0.4407211677381104
Energy: 0.44744964830035266
Energy: 0.4474496436114448
   minimum gb energy = 0.43124867425128416 eV
   minimum distance = 2.59321365821778 Angstroms
   sigma value = 13

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

Energy: 0.5257622962939847
Energy: 0.45832909633401103
Energy: 0.4583296906986054
Energy: 0.4437155311532447
Energy: 0.5857741656291791
Energy: 0.5857726059775795
Energy: 0.44947340366238747
Energy: 0.5143499463512626
Energy: 0.514355747389616
Energy: 0.44614694895753954
Energy: 0.550849501515904
Energy: 0.5508510437178847
Energy: 0.44177205482960036
Energy: 0.4495799768541837
Energy: 0.4495827982789135
Energy: 0.43958557543121846
Energy: 0.5836469920866093
Energy: 0.5836466797633246
Energy: 0.43795433612860385
Energy: 0.4830937750509939
Energy: 0.4830941934626336
Energy: 0.5892010077583678
Energy: 0.4864109143760783
Energy: 0.48640734426875404
Energy: 0.5426928335383405
Energy: 0.5200246146747745
Energy: 0.5200282286082766
Energy: 0.5600679899012593
Energy: 0.4803629185994089
Energy: 0.4803696644160965
   minimum gb energy = 0.43795433612860385 eV
   minimum distance = 2.52407018802365 Angstroms
   sigma value = 125

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

Energy: 0.4617271389374911
Energy: 0.45397673968446167
Energy: 0.4539727880008874
Energy: 0.4481863289058885
Energy: 0.44851135392369246
Energy: 0.4485075330676485
Energy: 0.4392978431910058
Energy: 0.4416225525069261
Energy: 0.44162254253983857
Energy: 0.4308184206709998
Energy: 0.5333364628489792
Energy: 0.5333394883784296
Energy: 0.5575963544226811
Energy: 0.4360417827131766
Energy: 0.43604143519896366
Energy: 0.43929780263965007
Energy: 0.6164042614087061
Energy: 0.6164054064923234
Energy: 0.4366239864300658
Energy: 0.5311609145178782
Energy: 0.5311543743888303
Energy: 0.5874822091001559
Energy: 0.44018719364750425
Energy: 0.4401872175869006
Energy: 0.44192766785983373
Energy: 0.4865175021391065
Energy: 0.4865321333104275
Energy: 0.43298971296343397
Energy: 0.5328093196054269
Energy: 0.5328169633100476
   minimum gb energy = 0.4308184206709998 eV
   minimum distance = 2.50991240337398 Angstroms
   sigma value = 37

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

Energy: 0.4494919877318609
Energy: 0.43316986787823447
Energy: 0.433166118602013
Energy: 0.42744134633140357
Energy: 0.49963583026326025
Energy: 0.4996383274412264
Energy: 0.430560774731591
Energy: 0.43738242187418824
Energy: 0.43738667869965825
Energy: 0.433168934693698
Energy: 0.44035308595166867
Energy: 0.44035149822238173
Energy: 0.5059208403915947
Energy: 0.5075018889811093
Energy: 0.5075027232886338
Energy: 0.4274408347266922
Energy: 0.437383829149878
Energy: 0.437388473533422
Energy: 0.4363946274698868
Energy: 0.49979373575347064
Energy: 0.4997992513481015
Energy: 0.5746048051329614
Energy: 0.5075032309369956
Energy: 0.507500256417796
Energy: 0.43152242079584285
Energy: 0.4312154976322218
Energy: 0.43122353505142363
Energy: 0.43639563858398056
Energy: 0.5831903255146584
Energy: 0.5831933586908049
   minimum gb energy = 0.4274408347266922 eV
   minimum distance = 2.52209147541617 Angstroms
   sigma value = 37

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

Energy: 0.5186367087069925
Energy: 0.4290163831919117
Energy: 0.4290127491080673
Energy: 0.42084985632091343
Energy: 0.4305518980537022
Energy: 0.4305438431646326
Energy: 0.42082590235229334
Energy: 0.5881173244325776
Energy: 0.5881169497108416
Energy: 0.4222576101405307
Energy: 0.42926379929841496
Energy: 0.4292573726909245
Energy: 0.4180322732246996
Energy: 0.4686667311587411
Energy: 0.4686667866264488
Energy: 0.51067560833029
Energy: 0.5190579764231317
Energy: 0.5190553299674942
Energy: 0.42500077568335387
Energy: 0.5789115387175678
Energy: 0.5789106816853681
Energy: 0.5994260174518722
Energy: 0.4242068811476711
Energy: 0.42420962518897504
Energy: 0.4273705166114937
Energy: 0.5988038320423762
Energy: 0.5987988597621167
Energy: 0.42082513663840976
Energy: 0.5026353859896432
Energy: 0.5026354680569496
   minimum gb energy = 0.4180322732246996 eV
   minimum distance = 2.56592676963784 Angstroms
   sigma value = 185

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

Energy: 0.500024631358678
Energy: 0.5001657557483945
Energy: 0.5001649560367496
Energy: 0.42414323888309213
Energy: 0.49411184364798455
Energy: 0.4941129994980711
Energy: 0.49304983420722887
Energy: 0.5243020877990829
Energy: 0.5243037328855247
Energy: 0.4280770088957767
Energy: 0.5185248721627316
Energy: 0.518523988028582
Energy: 0.4883758196758045
Energy: 0.45372302531108816
Energy: 0.4537230109364447
Energy: 0.4241642777468744
Energy: 0.607323379883909
Energy: 0.6073236009747629
Energy: 0.424014689263031
Energy: 0.5516864319507464
Energy: 0.5516861752600993
Energy: 0.6006534794511583
Energy: 0.45957904781446923
Energy: 0.45957823309536316
Energy: 0.4267184449417899
Energy: 0.6063523596385316
Energy: 0.6063521810495358
Energy: 0.49279020007722385
Energy: 0.5243188295082363
Energy: 0.5243139108303458
   minimum gb energy = 0.424014689263031 eV
   minimum distance = 2.49073950816812 Angstroms
   sigma value = 173

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

Energy: 0.4776081982016516
Energy: 0.5517869089336882
Energy: 0.5517870080159231
Energy: 0.4537277077628358
Energy: 0.590588821199355
Energy: 0.5905888257848414
Energy: 0.4037656990343449
Energy: 0.6588332945623131
Energy: 0.6588335684469696
Energy: 0.3974470002567341
Energy: 0.6291065374122414
Energy: 0.6291068998777392
Energy: 0.40323772386313084
Energy: 0.5400328098440675
Energy: 0.5400320360918621
Energy: 0.4037652488039967
Energy: 0.5203258130912177
Energy: 0.5203259422102143
Energy: 0.4537277059830555
Energy: 0.560459307601721
Energy: 0.5604603315927227
Energy: 0.47756780953235345
Energy: 0.5203258168892836
Energy: 0.5203258130774148
Energy: 0.4537277141734553
Energy: 0.6661071726542398
Energy: 0.6661109636088332
Energy: 0.4037654322393211
Energy: 0.46620150241874325
Energy: 0.46620150748811906
   minimum gb energy = 0.3974470002567341 eV
   minimum distance = 2.53281230230389 Angstroms
   sigma value = 25

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

Energy: 0.48274992416475315
Energy: 0.6375677312663259
Energy: 0.6375746788359492
Energy: 0.398034460877396
Energy: 0.5814255308423593
Energy: 0.5814273432953513
Energy: 0.5410646952902779
Energy: 0.43841280998694415
Energy: 0.4384114550795663
Energy: 0.39279230908333945
Energy: 0.5035802391094517
Energy: 0.5035797949511126
Energy: 0.402851263473488
Energy: 0.5416839117575789
Energy: 0.5416827128829709
Energy: 0.41254503359067896
Energy: 0.49711838385829965
Energy: 0.4971199253259414
Energy: 0.3952003364812585
Energy: 0.4747501242607648
Energy: 0.4747500272782381
Energy: 0.6091914421660257
Energy: 0.4342910427738368
Energy: 0.43428660756653475
Energy: 0.397182422342135
Energy: 0.5752790286975935
Energy: 0.5752786566285534
Energy: 0.3985574677313065
Energy: 0.6142548075215463
Energy: 0.6142482766675822
   minimum gb energy = 0.39279230908333945 eV
   minimum distance = 2.57126804445233 Angstroms
   sigma value = 269

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

Energy: 0.49734368968651493
Energy: 0.623549566163479
Energy: 0.6235495741347898
Energy: 0.38528263788373457
Energy: 0.5002588759356685
Energy: 0.5002587928529755
Energy: 0.4704661808920652
Energy: 0.4860482427676023
Energy: 0.48604826149897423
Energy: 0.39594682879153015
Energy: 0.5390161420874765
Energy: 0.5390170717666803
Energy: 0.3959462724616748
Energy: 0.6174941274465169
Energy: 0.6174936329354638
Energy: 0.3879465673874333
Energy: 0.5485547427197806
Energy: 0.5485550884822146
Energy: 0.5134135604317822
Energy: 0.3861915703978034
Energy: 0.3861909144855789
Energy: 0.49702042386624573
Energy: 0.5390166783699989
Energy: 0.5390187511628349
Energy: 0.38528265132280537
Energy: 0.45323665775363736
Energy: 0.4532366605739694
Energy: 0.3879466939590013
Energy: 0.5911405265376236
Energy: 0.5911427740211451
   minimum gb energy = 0.38528263788373457 eV
   minimum distance = 2.52403356793699 Angstroms
   sigma value = 65

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

Energy: 0.5206317940003666
Energy: 0.61796980827454
Energy: 0.6179679831874695
Energy: 0.43725320032411563
Energy: 0.45554402896134816
Energy: 0.4555437872776164
Energy: 0.3919308864860781
Energy: 0.6230418168357023
Energy: 0.6230412057816378
Energy: 0.5234449673513354
Energy: 0.38659596493302384
Energy: 0.38659599305555337
Energy: 0.38965850248608697
Energy: 0.6068622815492782
Energy: 0.6068622993389848
Energy: 0.5665898106555177
Energy: 0.41917681742973645
Energy: 0.41917557755294355
Energy: 0.38851508793076855
Energy: 0.5964169469141802
Energy: 0.5964169427086302
Energy: 0.5832642334763416
Energy: 0.4191779547644266
Energy: 0.4191759826285925
Energy: 0.3885111764402
Energy: 0.6008160799166659
Energy: 0.600815215265133
Energy: 0.4472785036452322
Energy: 0.4185974613312067
Energy: 0.4185970068783404
   minimum gb energy = 0.38659596493302384 eV
   minimum distance = 2.52405554266774 Angstroms
   sigma value = 79

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

Energy: 0.3966778506101904
Energy: 0.5848681991561989
Energy: 0.5848692961348684
Energy: 0.3720054662311556
Energy: 0.5436688161378243
Energy: 0.5436687966007676
Energy: 0.4728686924316646
Energy: 0.374550512618907
Energy: 0.37455038955803593
Energy: 0.3745499886258863
Energy: 0.5529822113802749
Energy: 0.5529821551131124
Energy: 0.37454998874749246
Energy: 0.581004879639576
Energy: 0.5810065504635366
Energy: 0.3643422671713169
Energy: 0.5383175213789432
Energy: 0.538317518795573
Energy: 0.37200370773897207
Energy: 0.37455007935148127
Energy: 0.3745544603388416
Energy: 0.3966780261720367
Energy: 0.5895321842683452
Energy: 0.5895333921814573
Energy: 0.37200363997720837
Energy: 0.5713390708986767
Energy: 0.5713389030206614
Energy: 0.3618777254588333
Energy: 0.4539874734912229
Energy: 0.4539854703110605
   minimum gb energy = 0.3618777254588333 eV
   minimum distance = 2.52800742553474 Angstroms
   sigma value = 41

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

Energy: 0.45636349210189364
Energy: 0.5753022068996158
Energy: 0.5753062130196852
Energy: 0.35287309934403144
Energy: 0.5883898181338222
Energy: 0.5883901897955015
Energy: 0.35504858918123294
Energy: 0.4450781636438484
Energy: 0.4450787550786105
Energy: 0.5266061617500127
Energy: 0.405778515909452
Energy: 0.40577670202584676
Energy: 0.4364844614375392
Energy: 0.5444639703458354
Energy: 0.5444647960493286
Energy: 0.36439274135611854
Energy: 0.574396799423692
Energy: 0.574396772562171
Energy: 0.36246754644356854
Energy: 0.5764974068008831
Energy: 0.5765007227150071
Energy: 0.5177597808445461
Energy: 0.5127750495623998
Energy: 0.5127738136205527
Energy: 0.3992796979813566
Energy: 0.35798010653920026
Energy: 0.3579800668607144
Energy: 0.3526319547196282
Energy: 0.5110372037780456
Energy: 0.5110382061202955
   minimum gb energy = 0.3526319547196282 eV
   minimum distance = 2.52297922201471 Angstroms
   sigma value = 101

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

Energy: 0.4848462129258503
Energy: 0.5475762474618916
Energy: 0.5475762473722934
Energy: 0.4270757962569713
Energy: 0.34773575119188993
Energy: 0.34773596876387974
Energy: 0.3428534666090455
Energy: 0.5439050995382949
Energy: 0.5439030373517104
Energy: 0.34073143610974077
Energy: 0.3553459097952726
Energy: 0.3553450835803593
Energy: 0.34285344425387887
Energy: 0.5523631477391908
Energy: 0.5523631502243033
Energy: 0.3428533963562786
Energy: 0.41948072592746044
Energy: 0.4194800897289386
Energy: 0.3414438454406276
Energy: 0.5301151977006757
Energy: 0.530115215588464
Energy: 0.4844111201220537
Energy: 0.525173768646877
Energy: 0.5251738303573354
Energy: 0.47632098950056034
Energy: 0.4194781634859192
Energy: 0.4194792220458715
Energy: 0.342853455476247
Energy: 0.5687727320334643
Energy: 0.5687726384810619
   minimum gb energy = 0.34073143610974077 eV
   minimum distance = 2.5874837514287 Angstroms
   sigma value = 15

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

Energy: 0.47302592236023355
Energy: 0.5360040093699029
Energy: 0.5360027228685657
Energy: 0.3891775409958904
Energy: 0.40695363396477174
Energy: 0.4069527107007769
Energy: 0.3314285230058527
Energy: 0.527941025290181
Energy: 0.5279416006364618
Energy: 0.3411474816261083
Energy: 0.5421321496752854
Energy: 0.5421331070006999
Energy: 0.5282660730577287
Energy: 0.36732444888985516
Energy: 0.367324829555072
Energy: 0.33572734225350903
Energy: 0.5450522259012899
Energy: 0.5450512159786679
Energy: 0.3272958473709829
Energy: 0.46746591425077955
Energy: 0.4674694292207663
Energy: 0.527087163500349
Energy: 0.46338910432359665
Energy: 0.46338722961002365
Energy: 0.33489985319255705
Energy: 0.5334968979108388
Energy: 0.5334968975757806
Energy: 0.3264753793625905
Energy: 0.46562724017045803
Energy: 0.4656279810275972
   minimum gb energy = 0.3264753793625905 eV
   minimum distance = 2.52648375647578 Angstroms
   sigma value = 145

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

Energy: 0.47979479558970406
Energy: 0.5181020234811949
Energy: 0.5181021085390394
Energy: 0.35649297140897945
Energy: 0.5474259128058145
Energy: 0.5474243101806425
Energy: 0.32087270926699535
Energy: 0.4373895708889252
Energy: 0.43738733759863435
Energy: 0.31705361390133385
Energy: 0.4690110973728678
Energy: 0.4690107069848301
Energy: 0.31853569643871676
Energy: 0.42048211052783807
Energy: 0.4543492350896785
Energy: 0.32087299507236927
Energy: 0.5511673197335917
Energy: 0.5511689661452639
Energy: 0.35649309915340816
Energy: 0.5454929468827705
Energy: 0.5454938661314405
Energy: 0.4796764399164114
Energy: 0.5278477917449935
Energy: 0.5278477575910208
Energy: 0.3916417512676278
Energy: 0.440497615212511
Energy: 0.4404974264998928
Energy: 0.4670065496737467
Energy: 0.34756075907817413
Energy: 0.34756025750753994
   minimum gb energy = 0.31705361390133385 eV
   minimum distance = 2.52780854697234 Angstroms
   sigma value = 85

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

Energy: 0.4863912070309462
Energy: 0.5024869012937903
Energy: 0.5024872258994122
Energy: 0.3115244954496102
Energy: 0.5369354449087831
Energy: 0.5369354150006319
Energy: 0.31204768479820966
Energy: 0.49890536539044533
Energy: 0.49890546391752594
Energy: 0.3703010089299426
Energy: 0.5070758803765387
Energy: 0.5070708120833501
Energy: 0.3702999408930041
Energy: 0.5025209569506413
Energy: 0.502521184406948
Energy: 0.3102342220367474
Energy: 0.4038618251936377
Energy: 0.4038613424358186
Energy: 0.30859670517822013
Energy: 0.37736246466770845
Energy: 0.3773630402207386
Energy: 0.5310158628279539
Energy: 0.3988684210072943
Energy: 0.39886675940739386
Energy: 0.3833447344667834
Energy: 0.423527812730149
Energy: 0.42352664788395683
Energy: 0.30761099206712605
Energy: 0.4802748381595615
Energy: 0.48027456193373136
   minimum gb energy = 0.30761099206712605 eV
   minimum distance = 2.50435723022315 Angstroms
   sigma value = 197

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

Energy: 0.4220853729056696
Energy: 0.48340109824603994
Energy: 0.4833992016059485
Energy: 0.3160879304110091
Energy: 0.48303563025859464
Energy: 0.4830355315694736
Energy: 0.2888550673858923
Energy: 0.4671701832747286
Energy: 0.46717268370693943
Energy: 0.2899355254811554
Energy: 0.4036294889484782
Energy: 0.40362947945203714
Energy: 0.36415775161444786
Energy: 0.40363007162839454
Energy: 0.4036295066147636
Energy: 0.28885555388997836
Energy: 0.35958328934896333
Energy: 0.35958328939624395
Energy: 0.3913497088324962
Energy: 0.48958691576739427
Energy: 0.4895868791527038
Energy: 0.4217893555546476
Energy: 0.4877450910996302
Energy: 0.4877451343809039
Energy: 0.31608793041193656
Energy: 0.47956063158765205
Energy: 0.47955969931729847
Energy: 0.30062415773918433
Energy: 0.48303539118298905
Energy: 0.4830354780403497
   minimum gb energy = 0.2888550673858923 eV
   minimum distance = 2.61583484478209 Angstroms
   sigma value = 113

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

Energy: 0.4328296895514547
Energy: 0.4595587909271221
Energy: 0.4595593310813613
Energy: 0.4508140279093097
Energy: 0.32984895503482237
Energy: 0.3298500661918595
Energy: 0.27961997442919007
Energy: 0.3885331254626719
Energy: 0.3885354198885137
Energy: 0.2796201277357958
Energy: 0.4608298533104674
Energy: 0.46082970454929556
Energy: 0.27214703799104034
Energy: 0.3823842310438246
Energy: 0.382384194225397
Energy: 0.285953680898
Energy: 0.4641416485432682
Energy: 0.4641420870560136
Energy: 0.41847460778687046
Energy: 0.37562407086787225
Energy: 0.3756239302375614
Energy: 0.4677555996736999
Energy: 0.4705080190136158
Energy: 0.4705079263909752
Energy: 0.3695126261512347
Energy: 0.46573430469455035
Energy: 0.4657353448311835
Energy: 0.33247183036752387
Energy: 0.3711283089284921
Energy: 0.37112831598520246
   minimum gb energy = 0.27214703799104034 eV
   minimum distance = 2.53247540378437 Angstroms
   sigma value = 145

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

Energy: 0.44104311876405133
Energy: 0.4360921364827627
Energy: 0.43609184520253175
Energy: 0.3933247827259858
Energy: 0.4277757516641604
Energy: 0.4277757572436657
Energy: 0.262200726266361
Energy: 0.3170326274007733
Energy: 0.3170334337883082
Energy: 0.2713489153714948
Energy: 0.43294384913302164
Energy: 0.43294346043194754
Energy: 0.26274902832997105
Energy: 0.43972046674784
Energy: 0.43972046674087806
Energy: 0.31204475579849444
Energy: 0.35338586046787523
Energy: 0.3533859693023226
Energy: 0.28240944778647636
Energy: 0.442105049762961
Energy: 0.4421054604030474
Energy: 0.43999243052953124
Energy: 0.440749397807987
Energy: 0.44074986488938717
Energy: 0.450736061931691
Energy: 0.3064992904374752
Energy: 0.3064984911087395
Energy: 0.27134893380985475
Energy: 0.4473356074893765
Energy: 0.44733569363322256
   minimum gb energy = 0.262200726266361 eV
   minimum distance = 2.62599123162443 Angstroms
   sigma value = 181

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

Energy: 0.43591173984937504
Energy: 0.4205126421457868
Energy: 0.4205124530478961
Energy: 0.34751508768963596
Energy: 0.4671463176301423
Energy: 0.46714630623235176
Energy: 0.25735473515780555
Energy: 0.4513616239403988
Energy: 0.4513614762026486
Energy: 0.25529491508378727
Energy: 0.41845520522813096
Energy: 0.41845504679227397
Energy: 0.2552948965822324
Energy: 0.41609638945187516
Energy: 0.4160957694138977
Energy: 0.25735614379263305
Energy: 0.42506954868761837
Energy: 0.42506992583369346
Energy: 0.3475158557027013
Energy: 0.4160961621851371
Energy: 0.41609571449023297
Energy: 0.4578095935099672
Energy: 0.40711290972794223
Energy: 0.4071149834841336
Energy: 0.34751539238326584
Energy: 0.42082823714543877
Energy: 0.4208282371726001
Energy: 0.26651179235547745
Energy: 0.3753461066864948
Energy: 0.3753452624185454
   minimum gb energy = 0.2552948965822324 eV
   minimum distance = 2.52736109671248 Angstroms
   sigma value = 55

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

Energy: 0.3972288818036629
Energy: 0.3997740013276636
Energy: 0.399774532913469
Energy: 0.3150271184478111
Energy: 0.3911593509344198
Energy: 0.39115935094680804
Energy: 0.36425321510745107
Energy: 0.24856590086167749
Energy: 0.24856587464317906
Energy: 0.23714297661449038
Energy: 0.4037155451850342
Energy: 0.4037156241220471
Energy: 0.24888912591510112
Energy: 0.40356721624788056
Energy: 0.40356717661955105
Energy: 0.24210468249992748
Energy: 0.39284479638025227
Energy: 0.39284519935866213
Energy: 0.5590635370899544
Energy: 0.24503388679309057
Energy: 0.24503318428910412
Energy: 0.4403785884142258
Energy: 0.40183251886295385
Energy: 0.4018325233440011
Energy: 0.31509763131265883
Energy: 0.43255114418493124
Energy: 0.43255102974225584
Energy: 0.24178543406721
Energy: 0.4000650046257777
Energy: 0.4000621346525203
   minimum gb energy = 0.23714297661449038 eV
   minimum distance = 2.61846197836912 Angstroms
   sigma value = 265

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

Energy: 0.4222764877392241
Energy: 0.382641118736169
Energy: 0.3826419694543873
Energy: 0.4345447886206009
Energy: 0.2938484451112536
Energy: 0.29384844539587157
Energy: 0.23638734246617055
Energy: 0.37886615244622646
Energy: 0.3788661547802154
Energy: 0.2247764177018535
Energy: 0.33354160398125143
Energy: 0.33354278081097827
Energy: 0.23638745892740864
Energy: 0.38402806867629646
Energy: 0.38402799128280196
Energy: 0.23080057951301583
Energy: 0.36542381899185544
Energy: 0.3654236870785159
Energy: 0.29688580458519975
Energy: 0.39075388058420046
Energy: 0.3907538248001916
Energy: 0.41984433841518753
Energy: 0.376793730307834
Energy: 0.3767938518408752
Energy: 0.35663291192414226
Energy: 0.383907379869727
Energy: 0.3839072476834724
Energy: 0.2333522491306876
Energy: 0.38459082992023985
Energy: 0.38459087278108284
   minimum gb energy = 0.2247764177018535 eV
   minimum distance = 2.61338791537614 Angstroms
   sigma value = 39

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

Energy: 0.4037216823667069
Energy: 0.3694325616200323
Energy: 0.36943281421321444
Energy: 0.2873820732552626
Energy: 0.369819097211126
Energy: 0.369819109080849
Energy: 0.25927369369031683
Energy: 0.35632069685910395
Energy: 0.3563209420372278
Energy: 0.2158090389417875
Energy: 0.35101942809320086
Energy: 0.35101166631346475
Energy: 0.221642779772501
Energy: 0.3712954347467601
Energy: 0.37129543511170726
Energy: 0.22591534019742499
Energy: 0.4061561654401032
Energy: 0.40615621960092163
Energy: 0.2873821486221015
Energy: 0.3642629962041771
Energy: 0.36426300186670035
Energy: 0.43813694788391805
Energy: 0.35563551038398244
Energy: 0.3556364816411118
Energy: 0.41369846865539994
Energy: 0.2792376119735969
Energy: 0.27923748597657777
Energy: 0.2736952353137327
Energy: 0.34465228268735276
Energy: 0.34465228490823446
   minimum gb energy = 0.2158090389417875 eV
   minimum distance = 2.57603072138455 Angstroms
   sigma value = 91

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

Energy: 0.3873382773075864
Energy: 0.3556061076690059
Energy: 0.3556072270919284
Energy: 0.2789390005835819
Energy: 0.35501084525140836
Energy: 0.35501086858673964
Energy: 0.21684840574000916
Energy: 0.3557801918637581
Energy: 0.35578024357992954
Energy: 0.21354149477297918
Energy: 0.3503139753885124
Energy: 0.35031415627627316
Energy: 0.21103507651993123
Energy: 0.33970056651315206
Energy: 0.3397004580280488
Energy: 0.44146213714482657
Energy: 0.26875568675539735
Energy: 0.2687544191819214
Energy: 0.3635166532635046
Energy: 0.2976668673448491
Energy: 0.29766616178824445
Energy: 0.41953623973272763
Energy: 0.3513990581891112
Energy: 0.35139906834263923
Energy: 0.3249895146175
Energy: 0.36361259682504976
Energy: 0.3636124277526466
Energy: 0.22141706474786518
Energy: 0.38828204532804367
Energy: 0.38828117555963493
   minimum gb energy = 0.21103507651993123 eV
   minimum distance = 2.62763788602861 Angstroms
   sigma value = 105

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

Energy: 0.011786805159196997
Energy: 0.011786805153968318
Energy: 0.011786805161276583
Energy: 0.011786805157097601
Energy: 0.1827470716120299
Energy: 0.1827470716141095
Energy: 0.0117868051585038
Energy: 0.1827470716148027
Energy: 0.1827470716154959
Energy: 0.011786805158840495
Energy: 0.7679122679933424
Energy: 0.7679122679985512
Energy: 0.011786805155711209
Energy: 0.7679122679940356
Energy: 0.7679122679943723
Energy: 0.011786805160583386
Energy: 0.1827470716154959
Energy: 0.1827470716141095
Energy: 0.011786805158147298
Energy: 0.182747071614466
Energy: 0.1827470716134163
Energy: 0.011786805155018015
Energy: 0.01178680515535471
Energy: 0.0117868051585038
Energy: 0.011786805157097601
Energy: 0.1827470716123666
Energy: 0.1827470716134163
Energy: 0.011786805157097601
Energy: 0.1827470716134163
Energy: 0.18274707161515918
   minimum gb energy = 0.011786805153968318 eV
   minimum distance = 2.83238241940273 Angstroms
   sigma value = 1