Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Au__MO_468407568810_006
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080054298043251
cohesive_energy=3.930314275214028
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.068807226011498e-19, 1.72237192508268e-19, 2.2702682686116596e-19, 2.75048867112048e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57767499159944e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29041783511178e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06387151295308e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.85714556964586e-19, 1.9324813688654397e-19, 7.75266036189822e-20, -6.80838551911764e-20, -2.52636018179022e-19, -4.88748788731602e-19, -7.943880143166119e-19, -1.195294264735896e-18, -1.72852428335724e-18, -2.44934355099384e-18, -3.4441510448107797e-18, -4.8151175687582395e-18, -6.752565685189079e-18, -9.617385680911799e-18, -1.41069249358749e-17, -2.1760923260651398e-17, -3.64504797294804e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -5.96046447753906e-08 eV

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

Energy: 0.011900317564712166
Energy: 0.0649794382311909
Energy: 0.43002439102725337
Energy: 0.06497943823165593
Energy: 0.06497943823165593
Energy: 0.44279841497160005
Energy: 0.06497943823069853
Energy: 0.44279841497209255
Energy: 0.43002439102725337
Energy: 0.0649794382311909
Energy: 0.011900317564712166
Energy: 0.06497943823165593
Energy: 0.06497943823165593
Energy: 0.44279841497209255
Energy: 0.06497943823069853
Energy: 0.4427984149783293

minimum gb energy = 0.011900317564712166 eV
minimum distance =  2.79758803677686 Angstroms
sigma value = 1


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

Energy: 0.8225218260525307
Energy: 0.5806036738263264
Energy: 0.5812539719805804
Energy: 0.5806036738257292
Energy: 0.5494323382842234
Energy: 0.5903767754955672
Energy: 0.5482674781311714
Energy: 0.5903767754967615
Energy: 0.5813219063612082
Energy: 0.5806595257414406
Energy: 0.8963067895769574
Energy: 0.5806595257432321
Energy: 0.5506803186556236
Energy: 0.5498392598898617
Energy: 0.5484803132064745
Energy: 0.5498392598904589
Energy: 0.7639615750486617
Energy: 0.5475879587204687
Energy: 0.5497251023019804
Energy: 0.5475879587192746
Energy: 0.5716413698567235
Energy: 0.5717024783399715
Energy: 0.5487494199009794
Energy: 0.5717024783405685
Energy: 0.5726976903250713
Energy: 0.5710040754608149
Energy: 0.5704210560317536
Energy: 0.5710040754614119
Energy: 0.5741786000881441
Energy: 0.579310523366205
Energy: 0.5927553908108817
Energy: 0.579310523366205
Energy: 0.58133392662705
Energy: 0.5767130052487409
Energy: 0.5817507216727328
Energy: 0.5767130052481437
Energy: 0.5892891323309614
Energy: 0.5788783478905684
Energy: 0.5827175448008828
Energy: 0.5788783478899714
Energy: 0.5802022369188768
Energy: 0.5765989236984116
Energy: 0.5816100764255959
Energy: 0.5765989236990087
Energy: 0.576400580893834
Energy: 0.5754454124488244
Energy: 0.5911578470450148
Energy: 0.5754454124488244
Energy: 0.5834716659931671
Energy: 0.5704196537539369
Energy: 0.5550311106961092
Energy: 0.5704196537527426
Energy: 0.572014278740558
Energy: 0.5710885709446016
Energy: 0.5725488853637216
Energy: 0.5710885709446016
Energy: 0.555498948962819
Energy: 0.5477444279267752
Energy: 0.5484894254422042
Energy: 0.5477444279285667
Energy: 0.5615999337346609
Energy: 0.5503621391127476
Energy: 0.5491950808115036
Energy: 0.5503621391061788
Energy: 0.5810331400315338
Energy: 0.580602409342076
Energy: 0.5406139925947289
Energy: 0.5806024093408816
Energy: 0.5481031090256715
Energy: 0.5480045704430091
Energy: 0.5540751536506006
Energy: 0.5480045704800054
Energy: 0.5487976279542212
Energy: 0.580547712043858
Energy: 0.5818219254600724
Energy: 0.5805477120426636
Energy: 0.5713882642522715
Energy: 0.5498720271132426
Energy: 0.5499058466833358
Energy: 0.5498720271114512
Energy: 0.5504675351657609
Energy: 0.5493652944429673
Energy: 0.5698361350935014
Energy: 0.5493652944435644
Energy: 0.549035762107912
Energy: 0.5489260044717235
Energy: 0.5717031142296971
Energy: 0.5489260044711263
Energy: 0.5699379953037411
Energy: 0.5711912877751094
Energy: 0.571167897641526
Energy: 0.5711912877751094
Energy: 0.5870387695086552
Energy: 0.574291474156411
Energy: 0.5721368093650776
Energy: 0.574291474156411
Energy: 0.5819079483416745
Energy: 0.5769112114107647
Energy: 0.6571105351263226
Energy: 0.5769112114107647
Energy: 0.5827380460963082
Energy: 0.5749415365387889
Energy: 0.5901419764308291
Energy: 0.574941536539386
Energy: 0.5819295321929129
Energy: 0.5766061420567011
Energy: 0.5800251380229839
Energy: 0.5766061420567011
Energy: 0.5916449131579774
Energy: 0.5753188447290654
Energy: 0.5716495118309328
Energy: 0.5753188447284683
Energy: 0.5550369417103197
Energy: 0.5704792982425761
Energy: 0.5841892169047922
Energy: 0.5704792982419788
Energy: 0.5723906905731027
Energy: 0.5721231196864985
Energy: 0.5729704535575804
Energy: 0.5721231196870957
Energy: 0.5479814697815321
Energy: 0.5478276323504796
Energy: 0.5544541804794862
Energy: 0.5478276323510769
Energy: 0.5490278482081138
Energy: 0.5478563118888249
Energy: 0.561670595184894
Energy: 0.5478563118882278
Energy: 0.5409345865352762
Energy: 0.5493549071598665
Energy: 0.5816305736466466
Energy: 0.5493549071592695

minimum gb energy = 0.5406139925947289 eV
minimum distance =  2.5514007926799 Angstroms
sigma value = 1


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

Energy: 0.9391757203208475
Energy: 0.608140976176821
Energy: 0.6078717135699239
Energy: 0.6081409761795442
Energy: 0.5742041750720512
Energy: 0.6154416008607168
Energy: 0.5744288802948928
Energy: 0.6154416008620786
Energy: 0.6076384846907902
Energy: 0.6085173036135241
Energy: 0.5734872029316916
Energy: 0.6085173036176094
Energy: 0.5754444990791313
Energy: 0.5739141508453441
Energy: 0.5743125069653943
Energy: 0.5739141508439823
Energy: 0.5746235357587367
Energy: 0.5736235758357977
Energy: 0.5742835617247446
Energy: 0.5736235758351168
Energy: 0.6004424436522444
Energy: 0.6408157052004245
Energy: 0.5743431317503043
Energy: 0.6408157052004245
Energy: 0.6016119937315254
Energy: 0.6023990096151
Energy: 0.5994649908467168
Energy: 0.6023990096198659
Energy: 0.6016735891644267
Energy: 0.6192496061172474
Energy: 0.6215152633454616
Energy: 0.6192496061158856
Energy: 0.6012041760164549
Energy: 0.6076614756148329
Energy: 0.6087477975491477
Energy: 0.6076614756230032
Energy: 0.6200897044438014
Energy: 0.6084400793908296
Energy: 0.6037554097048814
Energy: 0.6084400793915105
Energy: 0.5855838541309413
Energy: 0.6017504568386366
Energy: 0.6212142397646478
Energy: 0.6017504568434026
Energy: 0.5847036413086256
Energy: 0.6044757568389105
Energy: 0.6009476832208197
Energy: 0.604475756840953
Energy: 0.5744132668352933
Energy: 0.5736043615450442
Energy: 0.5841924547376658
Energy: 0.5736043615430017
Energy: 0.5741676206543402
Energy: 0.5736659624570977
Energy: 0.563504045484842
Energy: 0.5736659624550551
Energy: 0.5624789867754422
Energy: 0.6079752886177875
Energy: 0.6075777890942532
Energy: 0.6079752886225536
Energy: 0.5836122402710138
Energy: 0.5737157899428671
Energy: 0.5742047495028619
Energy: 0.5737157899428671
Energy: 0.6093627502983816
Energy: 0.608473718373694
Energy: 0.5744397067492735
Energy: 0.6084737183730132
Energy: 0.5752977671066862
Energy: 0.573738277810162
Energy: 0.6005886009518644
Energy: 0.5737382778550988
Energy: 0.5745456418333528
Energy: 0.5759219263899598
Energy: 0.5765978723433833
Energy: 0.5759219263974492
Energy: 0.6006362351944875
Energy: 0.5736422717742713
Energy: 0.573978754577793
Energy: 0.573642271775633
Energy: 0.6012935975380449
Energy: 0.6188394828027552
Energy: 0.6001184955673029
Energy: 0.618839482803436
Energy: 0.6002001430126339
Energy: 0.6058056584710062
Energy: 0.6158007870747988
Energy: 0.6058056584710062
Energy: 0.6010783344170405
Energy: 0.6076101308601859
Energy: 0.6083758628429584
Energy: 0.607610130859505
Energy: 0.6192892951826229
Energy: 0.6076772213494898
Energy: 0.6010857097044058
Energy: 0.6076772213474472
Energy: 0.584864711692853
Energy: 0.6017623841898754
Energy: 0.6217575549316261
Energy: 0.6017623841864712
Energy: 0.5842736103663672
Energy: 0.6031554132407992
Energy: 0.6026831499716855
Energy: 0.6031554132414799
Energy: 0.5738614282794766
Energy: 0.5735351821442631
Energy: 0.5834872260949097
Energy: 0.5735351821463058
Energy: 0.5742792461298782
Energy: 0.5737730203010104
Energy: 0.5634178752243254
Energy: 0.5737730203050955
Energy: 0.562444213364149
Energy: 0.5753232171243073
Energy: 0.6082233669150698
Energy: 0.575323217120903

minimum gb energy = 0.562444213364149 eV
minimum distance =  2.54146015377167 Angstroms
sigma value = 25


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

Energy: 0.8955051766732062
Energy: 0.6381706306558292
Energy: 0.6383610974890929
Energy: 0.6381706306558292
Energy: 0.6028657556151796
Energy: 0.6419974680703793
Energy: 0.602879814305425
Energy: 0.6419974680695879
Energy: 0.6378628231240526
Energy: 0.6382050995144196
Energy: 0.6018140787528741
Energy: 0.6382050995144196
Energy: 0.6049130105082978
Energy: 0.6022332870912456
Energy: 0.6028766279268511
Energy: 0.6022332870912456
Energy: 0.6026217079929905
Energy: 0.6023043307698835
Energy: 0.6027605229422012
Energy: 0.6023043307714666
Energy: 0.6286770700812364
Energy: 0.6616641037043738
Energy: 0.6034240232683297
Energy: 0.6616641037043738
Energy: 0.6322361038287418
Energy: 0.6496633873713775
Energy: 0.6276672196733789
Energy: 0.6496633873705859
Energy: 0.6285032125288921
Energy: 0.6433800914889467
Energy: 0.6213960108804345
Energy: 0.6433800914889467
Energy: 0.6293252327346963
Energy: 0.6484253896801953
Energy: 0.6213943276277206
Energy: 0.6484253896809868
Energy: 0.6286292150113875
Energy: 0.6470099309981635
Energy: 0.602537685764852
Energy: 0.6470099309981635
Energy: 0.5848536682882418
Energy: 0.6021574173843173
Energy: 0.6012439241948098
Energy: 0.6021574173851088
Energy: 0.5848926879950829
Energy: 0.602313546099771
Energy: 0.6024701232118266
Energy: 0.6023135461005623
Energy: 0.637400893355885
Energy: 0.6385675574821015
Energy: 0.5843349182304511
Energy: 0.6385675574828931
Energy: 0.6027344387090268
Energy: 0.602194812433455
Energy: 0.6192342149467756
Energy: 0.6021948124326636
Energy: 0.6021513743095708
Energy: 0.638931287243169
Energy: 0.6403540175855376
Energy: 0.6389312872439606
Energy: 0.6288007124770054
Energy: 0.60251774562023
Energy: 0.6046179800198531
Energy: 0.6025177456194384
Energy: 0.6055309634075166
Energy: 0.6049464923301588
Energy: 0.6027754150318088
Energy: 0.6049464923301588
Energy: 0.6031068129662959
Energy: 0.602258425130608
Energy: 0.6294850668385693
Energy: 0.602258425130608
Energy: 0.6265940989752566
Energy: 0.6529782894307629
Energy: 0.6305421478979887
Energy: 0.6529782894299714
Energy: 0.622462239948454
Energy: 0.6467047737823326
Energy: 0.6295001514520601
Energy: 0.6467047737823326
Energy: 0.6185615918444434
Energy: 0.648304163138627
Energy: 0.6284549912135236
Energy: 0.648304163138627
Energy: 0.6191503065271206
Energy: 0.6482477306581099
Energy: 0.6287582663833869
Energy: 0.6482477306581099
Energy: 0.6007684327155736
Energy: 0.6022164731754988
Energy: 0.5846661187207308
Energy: 0.6022164731747072
Energy: 0.6024968287821181
Energy: 0.6022720226174139
Energy: 0.5848277006131974
Energy: 0.6022720226182053
Energy: 0.5842294555131008
Energy: 0.6041695811054704
Energy: 0.6395379400953382
Energy: 0.6041695811046788

minimum gb energy = 0.5842294555131008 eV
minimum distance =  2.54490296959975 Angstroms
sigma value = 9


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

Energy: 0.8297019315026346
Energy: 0.6688445840585358
Energy: 0.6694618559989871
Energy: 0.6688445840604242
Energy: 0.6370558151250719
Energy: 0.6673363821279396
Energy: 0.6369886131595263
Energy: 0.6673363821307722
Energy: 0.668858430810877
Energy: 0.6686610166272192
Energy: 0.6669700476027621
Energy: 0.6686610166272192
Energy: 0.6343310958799505
Energy: 0.636749304569032
Energy: 0.6365077315136735
Energy: 0.6367493045699762
Energy: 0.6341299371241936
Energy: 0.6378175718937764
Energy: 0.6358108088187346
Energy: 0.6378175718966091
Energy: 0.6353244149633553
Energy: 0.6975789466555056
Energy: 0.6382795664467624
Energy: 0.6975789466573938
Energy: 0.662011563805092
Energy: 0.6911069668818536
Energy: 0.636687614475146
Energy: 0.6911069668818536
Energy: 0.6374467098513229
Energy: 0.692264283805759
Energy: 0.6390439766341435
Energy: 0.6922642838029264
Energy: 0.6350353033479827
Energy: 0.6375826471427452
Energy: 0.6047541377931437
Energy: 0.6375826471427452
Energy: 0.6366585047829614
Energy: 0.6368426805230588
Energy: 0.604322477850292
Energy: 0.6368426807891894
Energy: 0.6034504211338839
Energy: 0.6690081493160012
Energy: 0.6681711463119772
Energy: 0.6690081493160012
Energy: 0.6601140273992155
Energy: 0.6368726344523875
Energy: 0.6371147063674274
Energy: 0.6368726344533318
Energy: 0.6696940877622289
Energy: 0.6689482710169281
Energy: 0.6670936547059745
Energy: 0.6689482710159839
Energy: 0.6342107147072608
Energy: 0.6365353336555727
Energy: 0.632002813635457
Energy: 0.6365353336555727
Energy: 0.6341077050074027
Energy: 0.6353467470246189
Energy: 0.6377340520609873
Energy: 0.6353467470255629
Energy: 0.6359215443839878
Energy: 0.6380473860440258
Energy: 0.6367211622136636
Energy: 0.6380473860430816
Energy: 0.6604648873659913
Energy: 0.6937257382248939
Energy: 0.636391684281835
Energy: 0.6937257382258379
Energy: 0.659286127944056
Energy: 0.6921865711488717
Energy: 0.6376766378759662
Energy: 0.6921865711488717
Energy: 0.6347545351402187
Energy: 0.6376175399165791
Energy: 0.6041761499575565
Energy: 0.6376175399156349
Energy: 0.6365139798249874
Energy: 0.6371569094912518
Energy: 0.6041465155314837
Energy: 0.6371569094921959
Energy: 0.603263707417103
Energy: 0.6344437901395068
Energy: 0.6694360275550463
Energy: 0.6344437901404509

minimum gb energy = 0.603263707417103 eV
minimum distance =  2.55770999703123 Angstroms
sigma value = 25


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

Energy: 0.7382628055633553
Energy: 0.7021159554142588
Energy: 0.7030768007473498
Energy: 0.7021159554142588
Energy: 0.6426413323937105
Energy: 0.6715943128489086
Energy: 0.6415346061588024
Energy: 0.6715943128477408
Energy: 0.7020384484171066
Energy: 0.702018380311269
Energy: 0.6995712903930142
Energy: 0.702018380311269
Energy: 0.6275820282597634
Energy: 0.6720469135649207
Energy: 0.6421675055967073
Energy: 0.6720469135649207
Energy: 0.639353414644724
Energy: 0.6919627195732699
Energy: 0.6440776253070766
Energy: 0.6919627195744377
Energy: 0.6267043563809221
Energy: 0.6959541332077066
Energy: 0.6412557459828437
Energy: 0.6959541332077066
Energy: 0.6240748072143509
Energy: 0.6913336940228617
Energy: 0.6419380215724401
Energy: 0.6913336940251971
Energy: 0.6236831103199088
Energy: 0.6899647585915215
Energy: 0.6437769661404661
Energy: 0.6899647585915215
Energy: 0.701345968954953
Energy: 0.7024220958434869
Energy: 0.7705655910655302
Energy: 0.7024220958446544
Energy: 0.6437156081265974
Energy: 0.6910045119444432
Energy: 0.6238657536583606
Energy: 0.6910045119444432
Energy: 0.6995360303561345
Energy: 0.7024342020825335
Energy: 0.7071511973719159
Energy: 0.7024342020837011
Energy: 0.6253002153546561
Energy: 0.6733771393619049
Energy: 0.7144737815899737
Energy: 0.6733771393630726
Energy: 0.6417211421582644
Energy: 0.695129983490328
Energy: 0.6390063533051539
Energy: 0.695129983490328
Energy: 0.643516530147214
Energy: 0.6913928918536791
Energy: 0.6282959156639735
Energy: 0.6913928918536791
Energy: 0.6808718264737682
Energy: 0.6902531875892456
Energy: 0.6236753794417272
Energy: 0.6902531875892456
Energy: 0.6418325096554436
Energy: 0.6906891103599948
Energy: 0.6237968726278791
Energy: 0.6906891103390035
Energy: 0.7010060949215101
Energy: 0.628140071276045
Energy: 0.7035440222879876
Energy: 0.628140071276045

minimum gb energy = 0.6236753794417272 eV
minimum distance =  2.62145550095472 Angstroms
sigma value = 17


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

Energy: 1.0296456923970272
Energy: 0.7685884090454099
Energy: 0.766469413118724
Energy: 0.7685884090467325
Energy: 0.6735794328010989
Energy: 0.6848238895199683
Energy: 0.6826592098716948
Energy: 0.684823889517323
Energy: 0.6844883749622667
Energy: 0.6824190460166683
Energy: 0.7197600786963497
Energy: 0.6824190460166683
Energy: 0.6816777451165471
Energy: 0.7084953144440007
Energy: 0.681947140545372
Energy: 0.7084953144433395
Energy: 0.6837010257007681
Energy: 0.7366360010023624
Energy: 0.6426526407833483
Energy: 0.7366360010023624
Energy: 0.6835367595122697
Energy: 0.7323432537292277
Energy: 0.6833357911748713
Energy: 0.7323432537279051
Energy: 0.7176266419004339
Energy: 0.6820360586202449
Energy: 0.68144868208617
Energy: 0.6820360586189222
Energy: 0.7239616788412396
Energy: 0.6829213743943643
Energy: 0.6574905221996176
Energy: 0.6829213743943643
Energy: 0.7705866322125989
Energy: 0.767880522153066
Energy: 0.7808885613524961
Energy: 0.767880522153066
Energy: 0.7763055587817275
Energy: 0.7218775355386394
Energy: 0.6831098356898894
Energy: 0.7218775355373168
Energy: 0.6816492230867075
Energy: 0.6576585463802337
Energy: 0.6544577353241487
Energy: 0.657658546380895
Energy: 0.7217098862726893
Energy: 0.6745712143744897
Energy: 0.6583487853871788
Energy: 0.6745712143758125
Energy: 0.7203716224567595
Energy: 0.6759698443752532
Energy: 0.6747464758790537
Energy: 0.6759698443752532
Energy: 0.7194313270623967
Energy: 0.6757719281106179
Energy: 0.6551246565165061
Energy: 0.6757719281112793
Energy: 0.7714612482303886
Energy: 0.7230359493491738
Energy: 0.7237430005170007
Energy: 0.7230359493491738
Energy: 0.7673025619209509
Energy: 0.7232728134959739
Energy: 0.7245335560899234
Energy: 0.7232728134966353
Energy: 0.7235664372881468
Energy: 0.6825464254829771
Energy: 0.6821896459550946
Energy: 0.6825464254829771
Energy: 0.7239234262997123
Energy: 0.6824202456106405
Energy: 0.6808806025622135
Energy: 0.6824202456106405
Energy: 0.6868061841678806
Energy: 0.7359884858016913
Energy: 0.6839598429690275
Energy: 0.7359884858023525
Energy: 0.7056109929453948
Energy: 0.735151238762339
Energy: 0.6839031027438613
Energy: 0.7351512387616777
Energy: 0.683243897026805
Energy: 0.68410327358286
Energy: 0.7221521538065268
Energy: 0.6841032735815374
Energy: 0.6826364557947239
Energy: 0.6828685794017849
Energy: 0.7185680677062422
Energy: 0.6828685794024462
Energy: 0.6823140269823831
Energy: 0.7230717589701304
Energy: 0.6829466844494508
Energy: 0.7230717589727758
Energy: 0.7266100821017808
Energy: 0.7679054199137841
Energy: 0.7671787938242728
Energy: 0.7679054199131229
Energy: 0.6580280283588852
Energy: 0.6756103090628355
Energy: 0.7230031236681307
Energy: 0.6756103090628355
Energy: 0.6582632323671672
Energy: 0.6748772857118693
Energy: 0.6819696296704767
Energy: 0.6748772857118693
Energy: 0.6534766580964808
Energy: 0.6603378413870586
Energy: 0.7221536268458858
Energy: 0.66033784138772
Energy: 0.6582792870405196
Energy: 0.6742964252415241
Energy: 0.7195521602704542
Energy: 0.6742964252402016
Energy: 0.6584652828043918
Energy: 0.6760108486349277
Energy: 0.7187295621768096
Energy: 0.6760108486342663
Energy: 0.7198425043772403
Energy: 0.7687600541579427
Energy: 0.7656209616914387
Energy: 0.7687600541572813

minimum gb energy = 0.6426526407833483 eV
minimum distance =  2.60995960360694 Angstroms
sigma value = 53


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

Energy: 1.1076889218853723
Energy: 0.7636489371379829
Energy: 0.7659712525807746
Energy: 0.7636489371364604
Energy: 0.7933566120271378
Energy: 0.7262209978828447
Energy: 0.6686948463658349
Energy: 0.7262209978828447
Energy: 0.7910319360962282
Energy: 0.7904261273925479
Energy: 0.7718937129989789
Energy: 0.7904261273925479
Energy: 0.7952554067708378
Energy: 0.730214937195563
Energy: 0.6701243578340162
Energy: 0.7302149371970854
Energy: 0.7982108239365091
Energy: 0.6086830588168112
Energy: 0.6768603809055678
Energy: 0.6086830588152887
Energy: 0.8362797651512742
Energy: 0.6166764658019331
Energy: 0.6758032465307444
Energy: 0.6166764658034556
Energy: 0.8245506588776979
Energy: 0.6081456374131442
Energy: 0.6692601463374542
Energy: 0.6081456374146665
Energy: 0.8068226804783154
Energy: 0.6074304739424453
Energy: 0.670081560449028
Energy: 0.607430473940923
Energy: 0.8199557802316202
Energy: 0.7901118828883162
Energy: 0.7707465019938703
Energy: 0.7901118828913611
Energy: 0.8225947224007009
Energy: 0.6171931308414468
Energy: 0.6681321869933043
Energy: 0.6171931308399243
Energy: 0.8094348147035215
Energy: 0.7304660574995199
Energy: 0.6769617064610882
Energy: 0.730466057496475
Energy: 0.8070613598991643
Energy: 0.7328197247359486
Energy: 0.6795336956058698
Energy: 0.7328197247359486
Energy: 0.7859232179164931
Energy: 0.6075541995274918
Energy: 0.764511579298616
Energy: 0.6075541995183571

minimum gb energy = 0.607430473940923 eV
minimum distance =  2.60272794086234 Angstroms
sigma value = 9


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

Energy: 0.9079049051812512
Energy: 0.7988138821018107
Energy: 0.7997942159505919
Energy: 0.7988138821012472
Energy: 0.6689793594276994
Energy: 0.6682250459706696
Energy: 0.8044864555316489
Energy: 0.6682250459317892
Energy: 0.6724621682190264
Energy: 0.6695615137215492
Energy: 0.7960623854253907
Energy: 0.6695615137187318
Energy: 0.6698157972268083
Energy: 0.6691427041732263
Energy: 0.854432114370429
Energy: 0.6691427041732263
Energy: 0.6674170153329521
Energy: 0.6673339966874945
Energy: 0.8594679761378287
Energy: 0.6673339966863675
Energy: 0.6676888455585668
Energy: 0.6668103220686958
Energy: 0.8567247238380464
Energy: 0.666810322067569
Energy: 0.8023544417504067
Energy: 0.7957731065723415
Energy: 0.8059006480380677
Energy: 0.7957731065712145
Energy: 0.8025367411447094
Energy: 0.7339106780581316
Energy: 0.7954007011907538
Energy: 0.7339106780586951
Energy: 0.7035449340819193
Energy: 0.7435164736768919
Energy: 0.720745099949119
Energy: 0.743516473675765
Energy: 0.6678469312248262
Energy: 0.7335308969967197
Energy: 0.7975180350611782
Energy: 0.7335308969967197
Energy: 0.7027027910114906
Energy: 0.7042802684154411
Energy: 0.7582291309954425
Energy: 0.7042802684154411
Energy: 0.7099765516106838
Energy: 0.747905751003245
Energy: 0.8498471259483221
Energy: 0.7479057510026814
Energy: 0.803952134890381
Energy: 0.7035190711712656
Energy: 0.7131118173242144
Energy: 0.7035190711707021
Energy: 0.802906234586275
Energy: 0.7036382211864434
Energy: 0.702424972577322
Energy: 0.7036382211864434
Energy: 0.7946927678425506
Energy: 0.6983208151871827
Energy: 0.7086168226507752
Energy: 0.6983208151871827
Energy: 0.739241271829093
Energy: 0.7439086474683652
Energy: 0.7099023665653786
Energy: 0.7439086474672381
Energy: 0.7966280345485792
Energy: 0.668308185453837
Energy: 0.7043372982333502
Energy: 0.6683081854532735
Energy: 0.7985871966001824
Energy: 0.7986970465654278
Energy: 0.8515621877571451
Energy: 0.7986970465648644
Energy: 0.8051999822475372
Energy: 0.6687133765900268
Energy: 0.7053337532957015
Energy: 0.6687133766266532
Energy: 0.8440869333406457
Energy: 0.6705872443934046
Energy: 0.6722971414078115
Energy: 0.670587244395095
Energy: 0.807980541494916
Energy: 0.6684587594436902
Energy: 0.6690048617707259
Energy: 0.6684587594419997
Energy: 0.8570405181264883
Energy: 0.6669649985414815
Energy: 0.6668549042159734
Energy: 0.6669649985426085
Energy: 0.8591333742099567
Energy: 0.6674010794540783
Energy: 0.6679943033922385
Energy: 0.6674010794546419
Energy: 0.8069494416012475
Energy: 0.7964664621335501
Energy: 0.8023834349792444
Energy: 0.7964664621335501
Energy: 0.7959635355319722
Energy: 0.7379911128889838
Energy: 0.8027781025772747
Energy: 0.7379911128889838
Energy: 0.7119184757238785
Energy: 0.7418170439894712
Energy: 0.7023980696020076
Energy: 0.7418170439877808
Energy: 0.7984545720602652
Energy: 0.7330991046963142
Energy: 0.6677374031787252
Energy: 0.7330991046968777
Energy: 0.7579674236359911
Energy: 0.7007808234406222
Energy: 0.7026874575749318
Energy: 0.7007808234411856
Energy: 0.8519304873252056
Energy: 0.708826039512408
Energy: 0.712491203656412
Energy: 0.7088260395140983
Energy: 0.7140265842158633
Energy: 0.6947162090673031
Energy: 0.8095246183679203
Energy: 0.6947162090684301
Energy: 0.7036741050935682
Energy: 0.70316739970635
Energy: 0.7946063455496757
Energy: 0.70316739970635
Energy: 0.7062721295164611
Energy: 0.6987627406372149
Energy: 0.7974787569820646
Energy: 0.6987627406349608
Energy: 0.7109361141937024
Energy: 0.7428768349544905
Energy: 0.7390072908109414
Energy: 0.742876834956181
Energy: 0.7032050736345744
Energy: 0.6691431544525283
Energy: 0.742207622000442
Energy: 0.6691431544525283
Energy: 0.8509517160969741
Energy: 0.7960244631596355
Energy: 0.7977586037935297
Energy: 0.7960244631601989

minimum gb energy = 0.666810322067569 eV
minimum distance =  2.59215617352036 Angstroms
sigma value = 73


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

Energy: 0.9605235312410312
Energy: 0.7699634876270817
Energy: 0.7699165537510041
Energy: 0.7699634876297636
Energy: 0.6812039565345938
Energy: 0.6782498631007967
Energy: 0.7601354030615708
Energy: 0.6782498630999027
Energy: 0.6806481436353854
Energy: 0.6798692215385851
Energy: 0.7837670774424106
Energy: 0.6798692215394792
Energy: 0.6776849351610853
Energy: 0.6786654299071722
Energy: 0.8391846933836848
Energy: 0.6786654299071722
Energy: 0.6793244215142623
Energy: 0.6800066713904885
Energy: 0.8137762156206
Energy: 0.6800066713913826
Energy: 0.7188631079938734
Energy: 0.6800235249157238
Energy: 0.7995165038963042
Energy: 0.6800235249175118
Energy: 0.7550671745999986
Energy: 0.7811210855274641
Energy: 0.7916158705525504
Energy: 0.7811210855265701
Energy: 0.7170867163477381
Energy: 0.744044917781254
Energy: 0.7804693006666772
Energy: 0.7440449177821481
Energy: 0.7114292041004707
Energy: 0.7454905913621583
Energy: 0.7816148527372104
Energy: 0.7454905913621583
Energy: 0.7161268979221053
Energy: 0.6967639829835404
Energy: 0.7808605477779424
Energy: 0.6967639829835404
Energy: 0.7029858981843993
Energy: 0.6626275843675219
Energy: 0.6707015813639587
Energy: 0.6626275843666279
Energy: 0.7016394764259292
Energy: 0.6633415522342351
Energy: 0.8248612421570788
Energy: 0.6633415522342351
Energy: 0.7863411785146174
Energy: 0.7060170981296334
Energy: 0.7032607556345436
Energy: 0.7060170981296334
Energy: 0.7832320164922448
Energy: 0.7060962467478175
Energy: 0.7027745830554206
Energy: 0.7060962467487114
Energy: 0.7914004032506485
Energy: 0.7351991827016505
Energy: 0.7022605025400603
Energy: 0.7351991826998625
Energy: 0.8335275780939625
Energy: 0.7032006216769804
Energy: 0.7022540416610729
Energy: 0.7032006216769804
Energy: 0.8347072154490985
Energy: 0.7390119938178473
Energy: 0.7027918524717467
Energy: 0.7390119938187413
Energy: 0.7711878744496066
Energy: 0.7659973756374502
Energy: 0.7554269432640647
Energy: 0.7659973756374502
Energy: 0.7577603585030789
Energy: 0.7219952937024993
Energy: 0.7540085833717198
Energy: 0.7219952937051812
Energy: 0.7746543144676613
Energy: 0.7218010982119338
Energy: 0.7574497373163749
Energy: 0.7218010982119338
Energy: 0.7587192061660051
Energy: 0.7230758019204903
Energy: 0.7101466012026766
Energy: 0.7230758019187022
Energy: 0.7982655843576589
Energy: 0.7547034128650391
Energy: 0.7554891071360846
Energy: 0.754703412864145

minimum gb energy = 0.6626275843666279 eV
minimum distance =  2.55576282795386 Angstroms
sigma value = 7


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

Energy: 1.112800300321122
Energy: 0.7733004832477607
Energy: 0.7730842043236039
Energy: 0.7733004832496571
Energy: 0.6808990824993459
Energy: 0.6819324514774084
Energy: 0.7531111128004566
Energy: 0.6819324514767763
Energy: 0.6782071630379756
Energy: 0.6810438575368637
Energy: 0.7533661168454632
Energy: 0.6810438575406567
Energy: 0.6795325834661113
Energy: 0.6801403843398669
Energy: 0.8224603655309819
Energy: 0.6801403843303844
Energy: 0.6796464885982605
Energy: 0.6797912405102056
Energy: 0.8096835131894254
Energy: 0.6797912405102056
Energy: 0.6809443154388879
Energy: 0.6807482782321876
Energy: 0.8080458019993367
Energy: 0.6807482782302912
Energy: 0.7534803936217164
Energy: 0.6797201859776896
Energy: 0.6806967857840268
Energy: 0.6797201859745288
Energy: 0.7506219875050114
Energy: 0.6803750038576
Energy: 0.6797111356672328
Energy: 0.6803750038626573
Energy: 0.8224372677737046
Energy: 0.6804506747548781
Energy: 0.6796682470075195
Energy: 0.6804506747586709
Energy: 0.8230434287092386
Energy: 0.6813315981007139
Energy: 0.6786451758401876
Energy: 0.6813315980962887
Energy: 0.7541760658663585
Energy: 0.7239642263271373
Energy: 0.6806033146409027
Energy: 0.7239642263201834
Energy: 0.7531556898991708
Energy: 0.7514254550981042
Energy: 0.7491821643436083
Energy: 0.7514254550993685
Energy: 0.7488277593082607
Energy: 0.7193424431429815
Energy: 0.7513690926272487
Energy: 0.7193424431379242
Energy: 0.7491363997999966
Energy: 0.7193208960885042
Energy: 0.687614888915362
Energy: 0.719320896091033
Energy: 0.7513406927789302
Energy: 0.7191939511698711
Energy: 0.6867861537397385
Energy: 0.7191939511705031
Energy: 0.6877230356854326
Energy: 0.7493245399950589
Energy: 0.7529710677051469
Energy: 0.7493245399982197
Energy: 0.6877647071922042
Energy: 0.7228732500855234
Energy: 0.7538557155040717
Energy: 0.7228732500867878
Energy: 0.6789245072172785
Energy: 0.6813935151889163
Energy: 0.7556689657453963
Energy: 0.6813935151800661
Energy: 0.6797372399151741
Energy: 0.6806936245651972
Energy: 0.8231369738767342
Energy: 0.6806936245626686
Energy: 0.6799915411804444
Energy: 0.6803287647262339
Energy: 0.6890044695505179
Energy: 0.6803287647218088
Energy: 0.6807253701024907
Energy: 0.6798503249142095
Energy: 0.8116077572964416
Energy: 0.6798503249161059
Energy: 0.7503128954109552
Energy: 0.6800245641350426
Energy: 0.6806819795711185
Energy: 0.6800245641388356
Energy: 0.7499599995693672
Energy: 0.6797109005410674
Energy: 0.6786119363423961
Energy: 0.6797109005379065
Energy: 0.822406634913515
Energy: 0.6801761664359132
Energy: 0.6796447111859841
Energy: 0.6801761664352811
Energy: 0.8201886126242776
Energy: 0.6812250739519115
Energy: 0.6786566990378828
Energy: 0.6812250739525436
Energy: 0.8069951958373086
Energy: 0.6814382062271614
Energy: 0.6807573648562338
Energy: 0.6814382062277935
Energy: 0.7730699274192422
Energy: 0.7734289539838265
Energy: 0.9667752228099331
Energy: 0.7734289539857231
Energy: 0.7480072591640639
Energy: 0.7194480614218622
Energy: 0.7538287573306038
Energy: 0.7194480614180692
Energy: 0.753025865640725
Energy: 0.7196727399565892
Energy: 0.748754611153034
Energy: 0.7196727399610146
Energy: 0.7502372760351269
Energy: 0.722192588914459
Energy: 0.6872993874267089
Energy: 0.722192588914459
Energy: 0.6878040193847866
Energy: 0.7496509324457619
Energy: 0.7499232946011188
Energy: 0.7496509324514513

minimum gb energy = 0.6782071630379756 eV
minimum distance =  2.57034253691231 Angstroms
sigma value = 29


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

Energy: 0.6317184058529387
Energy: 0.7472487897957866
Energy: 0.7130566670564596
Energy: 0.7472487897949301
Energy: 0.6509777678171349
Energy: 0.6886932340515889
Energy: 0.6470728433110924
Energy: 0.6886932340453501
Energy: 0.6451861735649407
Energy: 0.6766427281152859
Energy: 0.6346051125860953
Energy: 0.6766427281148456
Energy: 0.6383064907158187
Energy: 0.6429532886066434
Energy: 0.6446505409570816
Energy: 0.64295328860772
Energy: 0.6423797404872845
Energy: 0.6467611322644116
Energy: 0.636466642352426
Energy: 0.6467611322545026
Energy: 0.6439904946828531
Energy: 0.6834385798055551
Energy: 0.6378739482179319
Energy: 0.6834385798040628
Energy: 0.6340038248151341
Energy: 0.6752823350436099
Energy: 0.6450819056786596
Energy: 0.6752823350410411
Energy: 0.6465314313268798
Energy: 0.647280860446486
Energy: 0.6418488021876168
Energy: 0.6472808604471466
Energy: 0.636206056882037
Energy: 0.6446247503342153
Energy: 0.648908591026425
Energy: 0.6446247503309857

minimum gb energy = 0.6317184058529387 eV
minimum distance =  2.58380045975952 Angstroms
sigma value = 5


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

Energy: 0.8750048048590096
Energy: 0.6366814489796605
Energy: 0.7328672016884704
Energy: 0.636681448989215
Energy: 0.7228264598812013
Energy: 0.6349028500908283
Energy: 0.7277786097443393
Energy: 0.6349028500902312
Energy: 0.7289260830303245
Energy: 0.6828465542130173
Energy: 0.7460864637047488
Energy: 0.6828465542136145
Energy: 0.6505103368365946
Energy: 0.6873333574804769
Energy: 0.722500199355313
Energy: 0.6873333574798798
Energy: 0.7388911678293122
Energy: 0.632672415201242
Energy: 0.7431215544928983
Energy: 0.6326724152024361
Energy: 0.63305625474623
Energy: 0.63567299463568
Energy: 0.7430566546275
Energy: 0.6356729946362772
Energy: 0.6325032348268396
Energy: 0.6324192978193858
Energy: 0.7232190562593735
Energy: 0.6324192978181916
Energy: 0.639951072013338
Energy: 0.6351377834666722
Energy: 0.8052753057238631
Energy: 0.6351377834648808
Energy: 0.6536920182065847
Energy: 0.6475600946016131
Energy: 0.7953531692823946
Energy: 0.6475600946004187
Energy: 0.761676898809172
Energy: 0.6162994534868496
Energy: 0.6214023143802797
Energy: 0.6162994534868496
Energy: 0.6545147793994548
Energy: 0.6155444289602952
Energy: 0.6175867508109025
Energy: 0.6155444289602952
Energy: 0.8306060651369587
Energy: 0.6145044333080771
Energy: 0.6148404591414396
Energy: 0.6145044333080771
Energy: 0.7976831922007396
Energy: 0.6147982716494048
Energy: 0.6152398354362935
Energy: 0.6147982716482104
Energy: 0.6333967632909885
Energy: 0.6446569569535001
Energy: 0.7446285139174934
Energy: 0.644656956952903
Energy: 0.6337523933408736
Energy: 0.6322513888513228
Energy: 0.7436843085482413
Energy: 0.6322513888513228
Energy: 0.6358769218717345
Energy: 0.633628389098679
Energy: 0.7217985168942833
Energy: 0.6336283890974849
Energy: 0.6337973433701707
Energy: 0.6334053667538163
Energy: 0.6495038858108784
Energy: 0.6334053667532192
Energy: 0.7534545656377245
Energy: 0.6361247952803634
Energy: 0.650589098752879
Energy: 0.6361247952803634
Energy: 0.7306143559846006
Energy: 0.6841081694245383
Energy: 0.7314798227430648
Energy: 0.6841081694245383
Energy: 0.7237215472612524
Energy: 0.6858161887125623
Energy: 0.6487439565664086
Energy: 0.6858161887119651
Energy: 0.7436179971328146
Energy: 0.6384291977534046
Energy: 0.7229415103363196
Energy: 0.6384291977545988
Energy: 0.7426208660792404
Energy: 0.6328111946264613
Energy: 0.6328087309575076
Energy: 0.6328111946264613
Energy: 0.722344569493286
Energy: 0.6324814433750143
Energy: 0.6334928737105449
Energy: 0.6324814433762086
Energy: 0.8033634250024602
Energy: 0.6339750017207233
Energy: 0.6368432114836233
Energy: 0.6339750017219177
Energy: 0.8308173280040054
Energy: 0.6451359584895229
Energy: 0.6527166237956108
Energy: 0.6451359584895229
Energy: 0.617261833376393
Energy: 0.616985440813201
Energy: 0.7617302936939095
Energy: 0.616985440813201
Energy: 0.6194726598222919
Energy: 0.6164971414690206
Energy: 0.6544984053107936
Energy: 0.6164971414684235
Energy: 0.615047305570974
Energy: 0.6162734538395224
Energy: 0.6766249454321018
Energy: 0.6162734538383281
Energy: 0.6152090386000356
Energy: 0.6154747569382388
Energy: 0.7918482716478523
Energy: 0.6154747569376419
Energy: 0.7438057481518974
Energy: 0.6443497706303926
Energy: 0.6525335653934403
Energy: 0.6443497706309897
Energy: 0.7439205568596738
Energy: 0.6327886066337665
Energy: 0.634106043535205
Energy: 0.632788606635558
Energy: 0.7219573410100436
Energy: 0.6337085946891349
Energy: 0.633323880856809
Energy: 0.6337085946885377
Energy: 0.6509443687202491
Energy: 0.6322620023477804
Energy: 0.6329738867265866
Energy: 0.6322620023483776

minimum gb energy = 0.6145044333080771 eV
minimum distance =  2.56172438954655 Angstroms
sigma value = 1


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

Energy: 0.9313308906436748
Energy: 0.6012663888327298
Energy: 0.709089236686594
Energy: 0.6012663888376837
Energy: 0.6021351012439142
Energy: 0.6020729342074029
Energy: 0.7297727610228809
Energy: 0.6020729342074029
Energy: 0.7301694354966283
Energy: 0.6641594582189542
Energy: 0.7325443115657068
Energy: 0.6641594582222569
Energy: 0.6191122679306638
Energy: 0.664846655871745
Energy: 0.723522346452337
Energy: 0.6648466558709193
Energy: 0.6009805101372587
Energy: 0.5996053901669627
Energy: 0.7275977143822612
Energy: 0.5996053901653114
Energy: 0.6003925753063998
Energy: 0.6018157462292866
Energy: 0.7285512666590146
Energy: 0.6018157462268097
Energy: 0.5978447565498708
Energy: 0.5991165587519707
Energy: 0.7241105611404325
Energy: 0.5991165587494938
Energy: 0.6046447239595483
Energy: 0.6043045234335527
Energy: 0.823321402411194
Energy: 0.6043045234352039
Energy: 0.725991151354268
Energy: 0.6244442042109046
Energy: 0.8228593626800544
Energy: 0.6244442042109046
Energy: 0.7324394138808829
Energy: 0.6039164947676714
Energy: 0.6166477590101223
Energy: 0.6039164947676714
Energy: 0.7249578780132052
Energy: 0.5994206415744785
Energy: 0.5983628458976886
Energy: 0.5994206415711758
Energy: 0.8214262137272216
Energy: 0.6056314253939244
Energy: 0.6006170264086537
Energy: 0.6056314253972271
Energy: 0.8203408019969767
Energy: 0.5997448954991568
Energy: 0.6003005403505589
Energy: 0.5997448954983312
Energy: 0.7228601112501712
Energy: 0.6643826976408221
Energy: 0.7311462381507077
Energy: 0.6643826976383452
Energy: 0.6208210497972805
Energy: 0.6633543284834699
Energy: 0.7308919523406678
Energy: 0.6633543284851212
Energy: 0.6231335991316856
Energy: 0.6008702098941822
Energy: 0.7233134033409735
Energy: 0.6008702098941822
Energy: 0.5996927329106553
Energy: 0.6003431161059182
Energy: 0.7311604485695539
Energy: 0.6003431161050924
Energy: 0.6043624320617833
Energy: 0.6034424259985488
Energy: 0.7218884471651875
Energy: 0.6034424259985488
Energy: 0.598381518368891
Energy: 0.5997277971307138
Energy: 0.8228307499111421
Energy: 0.5997277971290624
Energy: 0.6006565588578531
Energy: 0.6077880592143153
Energy: 0.8237032860221889
Energy: 0.6077880592143153
Energy: 0.7282952953023518
Energy: 0.6209984964201941
Energy: 0.6011069867738745
Energy: 0.6209984964226711
Energy: 0.7296782120972597
Energy: 0.6009774471708994
Energy: 0.6038761135258708
Energy: 0.6009774471725507
Energy: 0.72363387176051
Energy: 0.5996295174836291
Energy: 0.5995271859851276
Energy: 0.5996295174844547
Energy: 0.8203988169588927
Energy: 0.599758483002968
Energy: 0.5998389658472701
Energy: 0.599758483002968

minimum gb energy = 0.5978447565498708 eV
minimum distance =  2.57498991650391 Angstroms
sigma value = 17


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

Energy: 0.9986751354494499
Energy: 0.5993440627464955
Energy: 0.7138135273801994
Energy: 0.599344062613347
Energy: 0.6062007605862367
Energy: 0.5978885705575655
Energy: 0.6806348430813367
Energy: 0.5978885705560346
Energy: 0.7442362505909977
Energy: 0.6032197499074444
Energy: 0.6990367132159176
Energy: 0.6032197499074444
Energy: 0.7889180711404512
Energy: 0.6250613575185031
Energy: 0.6748657005305378
Energy: 0.6250613575154411
Energy: 0.662400650103721
Energy: 0.5823882931912752
Energy: 0.7918961748478062
Energy: 0.5823882931912752
Energy: 0.5829477873271369
Energy: 0.5819028995558925
Energy: 0.7725362340354083
Energy: 0.5819028995574234
Energy: 0.5831275547930094
Energy: 0.5826329224644523
Energy: 0.6094771878322782
Energy: 0.5826329224654732
Energy: 0.5887158556830482
Energy: 0.5837977400444788
Energy: 0.7791285365975902
Energy: 0.5837977400439686
Energy: 0.7658601665376381
Energy: 0.5840802084892444
Energy: 0.7428839206036948
Energy: 0.5840802084907755
Energy: 0.7014177255873598
Energy: 0.6276589152255679
Energy: 0.6880908694106047
Energy: 0.6276589152301609
Energy: 0.7634986164522976
Energy: 0.5957046722324445
Energy: 0.6063807510971115
Energy: 0.5957046722319342
Energy: 0.7697737182565964
Energy: 0.5991582126021897
Energy: 0.6749084980030448
Energy: 0.5991582126021897
Energy: 0.7754137010577535
Energy: 0.5951804717014677
Energy: 0.5962039618678504
Energy: 0.5951804717029987
Energy: 0.6952836347564736
Energy: 0.5956962110983608
Energy: 0.5970095739726329
Energy: 0.5956962110973402
Energy: 0.7837613137523533
Energy: 0.5969011326224065
Energy: 0.6027677656704415
Energy: 0.596901132622917
Energy: 0.7806870924373782
Energy: 0.5956414243878886
Energy: 0.5985433706725328
Energy: 0.5956414243904401
Energy: 0.5961136135980105
Energy: 0.6005130088653441
Energy: 0.6896549047060236
Energy: 0.6005130088627925
Energy: 0.5956544820066492
Energy: 0.5952616188847162
Energy: 0.7670556381492801
Energy: 0.5952616188842058
Energy: 0.6066128443056399
Energy: 0.5977077724938678
Energy: 0.6764339210393963
Energy: 0.5977077724938678
Energy: 0.5969258060326653
Energy: 0.5952516057078121
Energy: 0.6841135081535574
Energy: 0.5952516057098535
Energy: 0.679405650089705
Energy: 0.5966055519777573
Energy: 0.5963565583745406
Energy: 0.5966055519792882
Energy: 0.6992584455529813
Energy: 0.6006161921401671
Energy: 0.7459424219683622
Energy: 0.6006161921401671
Energy: 0.6748294379768658
Energy: 0.6237889369736418
Energy: 0.7848938638719084
Energy: 0.6237889369741522
Energy: 0.7961648930884176
Energy: 0.5834328195640489
Energy: 0.6619223282388026
Energy: 0.5834328195655799
Energy: 0.7705140024800466
Energy: 0.5819911603100895
Energy: 0.5820374865603859
Energy: 0.5819911603095792
Energy: 0.6758937650780076
Energy: 0.5833146489400942
Energy: 0.5859668536690589
Energy: 0.5833146489385631
Energy: 0.5883422983019897
Energy: 0.5844029399329913
Energy: 0.5903571082107777
Energy: 0.5844029399324809
Energy: 0.6770826056902531
Energy: 0.5834997293017424
Energy: 0.7678880740037254
Energy: 0.5834997293012322
Energy: 0.6816861442179103
Energy: 0.62646340292841
Energy: 0.6997728235475
Energy: 0.6264634029278997
Energy: 0.6073991891222039
Energy: 0.5955109972994419
Energy: 0.7620923473104166
Energy: 0.5955109973127105
Energy: 0.6743914809904118
Energy: 0.5958247581845029
Energy: 0.7717610924483059
Energy: 0.5958247581839926
Energy: 0.5956398930024883
Energy: 0.5956317100243869
Energy: 0.7730716039505949
Energy: 0.5956317100243869
Energy: 0.5954904169271646
Energy: 0.5951244957458192
Energy: 0.6960996412952986
Energy: 0.5951244957458192
Energy: 0.6021805113279056
Energy: 0.5980234584888123
Energy: 0.7857027595704438
Energy: 0.5980234584872812
Energy: 0.6997130483553656
Energy: 0.6086948146997734
Energy: 0.7948089940665755
Energy: 0.6086948146992629
Energy: 0.8977223808120591
Energy: 0.599279921054557
Energy: 0.5965525874462759
Energy: 0.5992799210525156
Energy: 0.7646507669473062
Energy: 0.5952046447061999
Energy: 0.5959940757099897
Energy: 0.5952046447026276
Energy: 0.7438886042414956
Energy: 0.5986597876722136
Energy: 0.5961414550965696
Energy: 0.5986597876722136

minimum gb energy = 0.5819028995558925 eV
minimum distance =  2.56570165444889 Angstroms
sigma value = 89


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

Energy: 1.0534266108172166
Energy: 0.5403782820297759
Energy: 0.5420907703992511
Energy: 0.5403782820311113
Energy: 0.5439229594498483
Energy: 0.5887897613025405
Energy: 0.542002044505516
Energy: 0.5887897613025405
Energy: 0.5360907638286132
Energy: 0.5888340088454732
Energy: 0.5547764747851816
Energy: 0.5888340088454732
Energy: 0.5372538484535281
Energy: 0.5900935010533032
Energy: 0.5408955004664848
Energy: 0.5900935010533032
Energy: 0.5398036152033165
Energy: 0.539879984651345
Energy: 0.5497368458316708
Energy: 0.5398799846500097
Energy: 0.5409234960585756
Energy: 0.5395051488685838
Energy: 0.5490297660401587
Energy: 0.5395051488699192
Energy: 0.5404054091924273
Energy: 0.5390567576315746
Energy: 0.5417813229577205
Energy: 0.5390567576315746
Energy: 0.5420639855357762
Energy: 0.5421969577965525
Energy: 0.5356271940412644
Energy: 0.5421969577952171
Energy: 0.5437445328641706
Energy: 0.5418851893473472
Energy: 0.5451232214839461
Energy: 0.5418851893473472
Energy: 0.556494461421801
Energy: 0.5916251013367729
Energy: 0.5431074127192221
Energy: 0.5916251013367729
Energy: 0.5420478458423245
Energy: 0.583360008293831
Energy: 0.5348685000599152
Energy: 0.5833600082951662
Energy: 0.5487961412889192
Energy: 0.5413995090312247
Energy: 0.5422603201801964
Energy: 0.5413995090298893
Energy: 0.5505105189885837
Energy: 0.5408787335233005
Energy: 0.5415355363320208
Energy: 0.5408787335246359
Energy: 0.5414450576513713
Energy: 0.5388197902524399
Energy: 0.5390414022559102
Energy: 0.5388197902511045
Energy: 0.5362388642648538
Energy: 0.5401211923413752
Energy: 0.5438632191244177
Energy: 0.5401211923413752

minimum gb energy = 0.5348685000599152 eV
minimum distance =  2.59535704404782 Angstroms
sigma value = 13


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

Energy: 0.9240567304663393
Energy: 0.5208432643362868
Energy: 0.6623514529145366
Energy: 0.5208432651032283
Energy: 0.6027272225355319
Energy: 0.5176025655686713
Energy: 0.6115558004075475
Energy: 0.517602565575947
Energy: 0.5356877798454286
Energy: 0.5163593265578431
Energy: 0.6164608238363632
Energy: 0.5163593265449707
Energy: 0.7073649747007523
Energy: 0.5195533950935023
Energy: 0.6056034029779952
Energy: 0.5195533951214854
Energy: 0.6091337823885042
Energy: 0.5173572660554295
Energy: 0.6263479619215679
Energy: 0.5173572660487137
Energy: 0.6072564186897449
Energy: 0.5171327776034421
Energy: 0.715838677053045
Energy: 0.5171327776095982
Energy: 0.6071886841029155
Energy: 0.5160580781731565
Energy: 0.6038875542451488
Energy: 0.5160580781686793
Energy: 0.6060683393667748
Energy: 0.5155849438664974
Energy: 0.6150323015273272
Energy: 0.5155849438687361
Energy: 0.5150564417402617
Energy: 0.5175601158750525
Energy: 0.6080710246843855
Energy: 0.517560115873933
Energy: 0.5151243267748249
Energy: 0.5165520502250278
Energy: 0.6065456965963053
Energy: 0.5165520502222296
Energy: 0.5174390927763362
Energy: 0.51676774065421
Energy: 0.9243034167371965
Energy: 0.516767740655889
Energy: 0.7149124731436043
Energy: 0.515808978051707
Energy: 0.6072445366085704
Energy: 0.5158089780533859
Energy: 0.6188213314306581
Energy: 0.5417432046928917
Energy: 0.6029266894224128
Energy: 0.541743204699048
Energy: 0.6056304943094571
Energy: 0.5437269245799209
Energy: 0.7080679197095484
Energy: 0.5437269245832791
Energy: 0.6132094825223845
Energy: 0.5177883572423633
Energy: 0.6065321016170843
Energy: 0.5177883572401246
Energy: 0.6106694421533228
Energy: 0.5162473363207584
Energy: 0.5187408082149724
Energy: 0.5162473363190793
Energy: 0.7101964728703691
Energy: 0.5169162489176603
Energy: 0.5183535634309423
Energy: 0.5169162489221376
Energy: 0.5181618595821867
Energy: 0.5156964502577612
Energy: 0.5178130782369628
Energy: 0.5156964502577612
Energy: 0.6837280941016586
Energy: 0.5191640438147892
Energy: 0.6024473671897514
Energy: 0.5191640438187068
Energy: 0.7165511092248993
Energy: 0.5155476365284335
Energy: 0.614479632865576
Energy: 0.5155476365261948
Energy: 0.707023813729608
Energy: 0.5163807915491837
Energy: 0.6034572410843645
Energy: 0.5163807915693314
Energy: 0.716235456361036
Energy: 0.5507233954468038
Energy: 0.6024404205157442
Energy: 0.5507233954462442
Energy: 0.610039141510547
Energy: 0.5189610337274877
Energy: 0.7280183181453628
Energy: 0.5189610337347633
Energy: 0.5199065753188116
Energy: 0.5153257090498665
Energy: 0.6062229135133126
Energy: 0.5153257090526648
Energy: 0.6045624737069177
Energy: 0.5163316758523894
Energy: 0.6122622590791874
Energy: 0.5163316758473524
Energy: 0.5160516864636596
Energy: 0.5154330944743165
Energy: 0.6089792545843339
Energy: 0.5154330944849502
Energy: 0.5159654224343897
Energy: 0.5155288191761261
Energy: 0.7120740560933932
Energy: 0.5155288191772456
Energy: 0.5161507467297274
Energy: 0.5182041070218184
Energy: 0.5206025335801175
Energy: 0.5182041070162218
Energy: 0.7126653736007147
Energy: 0.5172984223665279
Energy: 0.6847508777285597
Energy: 0.5172984223592523
Energy: 0.613669669165967
Energy: 0.5440464260726356
Energy: 0.7106362216727247
Energy: 0.5440464260664793
Energy: 0.6065152835208979
Energy: 0.5412882045208424
Energy: 0.7076457425954149
Energy: 0.5412882045186036
Energy: 0.6098374620300979
Energy: 0.516361854164525
Energy: 0.7102127112332021
Energy: 0.5163618541667637
Energy: 0.6139916381691307
Energy: 0.5179438564173476
Energy: 0.5265481594480401
Energy: 0.5179438564156685
Energy: 0.7109015583741252
Energy: 0.5157751905019958
Energy: 0.5158517124906048
Energy: 0.5157751905042345
Energy: 0.6835919769819295
Energy: 0.5163028346864097
Energy: 0.5195296753570827
Energy: 0.5163028346841709

minimum gb energy = 0.5150564417402617 eV
minimum distance =  2.59771830161689 Angstroms
sigma value = 37


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

Energy: 0.8981671341914579
Energy: 0.4845805672575036
Energy: 0.48446016199424796
Energy: 0.4845805672719468
Energy: 0.7698616592047076
Energy: 0.48307646484346717
Energy: 0.6372755536303235
Energy: 0.4830764648453929
Energy: 0.6994319413939083
Energy: 0.48218862864330136
Energy: 0.6340250962472151
Energy: 0.48218862864426426
Energy: 0.699359025608314
Energy: 0.5370071805766
Energy: 0.6335699487767513
Energy: 0.5370071805775629
Energy: 0.6177383618105761
Energy: 0.4700140856689182
Energy: 0.7015741559488649
Energy: 0.4700140856669924
Energy: 0.6218576473118993
Energy: 0.46983052821819526
Energy: 0.622148788920321
Energy: 0.46983052821723237
Energy: 0.5534351471685771
Energy: 0.469934349625491
Energy: 0.7635874154733674
Energy: 0.469934349625491
Energy: 0.5547631376985795
Energy: 0.46898964608709026
Energy: 0.7060218671742435
Energy: 0.46898964608420163
Energy: 0.546153355739015
Energy: 0.47069566155051595
Energy: 0.7025141329808945
Energy: 0.4706956615495531
Energy: 0.546037671599105
Energy: 0.46714032099442143
Energy: 0.7626324605253575
Energy: 0.46714032099442143
Energy: 0.5791025326095112
Energy: 0.5787542013047053
Energy: 0.7947613188170479
Energy: 0.5787542013037426
Energy: 0.6954655106291427
Energy: 0.4670421600768799
Energy: 0.762370296625464
Energy: 0.46704216007784266
Energy: 0.6972490658303471
Energy: 0.46668724180894344
Energy: 0.7768107386047264
Energy: 0.46668724180894344
Energy: 0.6954898648513018
Energy: 0.5186536679055572
Energy: 0.7004050618966032
Energy: 0.5186536679055572
Energy: 0.7015741559488649
Energy: 0.5178397302611036
Energy: 0.6216934621237394
Energy: 0.5178397302611036
Energy: 0.7657968567574112
Energy: 0.5178604126749956
Energy: 0.4708575259465069
Energy: 0.5178604126740327
Energy: 0.7669300253470032
Energy: 0.5169311973353846
Energy: 0.5531614160466004
Energy: 0.5169311973363475
Energy: 0.7060218637604391
Energy: 0.4897459319494055
Energy: 0.4891743492197384
Energy: 0.4897459319484426
Energy: 0.7025140872749822
Energy: 0.48461170448000396
Energy: 0.48310838599334804
Energy: 0.48461170448192975
Energy: 0.7700829262983966
Energy: 0.48371284963464023
Energy: 0.4885352570682056
Energy: 0.48371284963464023

minimum gb energy = 0.46668724180894344 eV
minimum distance =  2.58708995644206 Angstroms
sigma value = 25


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

Energy: 0.9552616165650207
Energy: 0.4231793017745106
Energy: 0.5874661748639317
Energy: 0.42317930177827
Energy: 0.7620166975436745
Energy: 0.42101982211525885
Energy: 0.542329759050471
Energy: 0.42101982211676253
Energy: 0.8597227996792013
Energy: 0.420017201198219
Energy: 0.5440937261846663
Energy: 0.42001720119596336
Energy: 0.6626792591937319
Energy: 0.42146764436361756
Energy: 0.5415284753256271
Energy: 0.4214676443621138
Energy: 0.6692788999525439
Energy: 0.46250960253748485
Energy: 0.768276698038945
Energy: 0.46250960253598106
Energy: 0.6630221733137764
Energy: 0.459846693105051
Energy: 0.7637483688321666
Energy: 0.459846693105051
Energy: 0.6639679016400388
Energy: 0.46232293397477275
Energy: 0.668985636740027
Energy: 0.4623229339762765
Energy: 0.541695391144818
Energy: 0.4214839761627758
Energy: 0.7665801754754681
Energy: 0.4214839761635276
Energy: 0.5443647763817595
Energy: 0.4201861115617105
Energy: 0.7617365048954702
Energy: 0.4201861115602067
Energy: 0.5453911612730602
Energy: 0.4209665059884929
Energy: 0.7626375653542984
Energy: 0.420966505987741
Energy: 0.4207028130032394
Energy: 0.4212140658045168
Energy: 0.8092421107750082
Energy: 0.42121406580376497
Energy: 0.42333159050682145
Energy: 0.42123029043424876
Energy: 0.7625160923844698
Energy: 0.42123029043500065
Energy: 0.4217893467494297
Energy: 0.4228843579616515
Energy: 0.6632126038010244
Energy: 0.4228843579608996
Energy: 0.4298027280414145
Energy: 0.421152998517279
Energy: 0.8562145470257752
Energy: 0.42115299851427146
Energy: 0.5433051284465642
Energy: 0.41988759037400175
Energy: 0.6701243314613992
Energy: 0.4198875903762574
Energy: 0.5467353799778127
Energy: 0.4209709075003156
Energy: 0.8623235612083915
Energy: 0.4209709075003156
Energy: 0.6693680007095034
Energy: 0.4218806778109668
Energy: 0.8666229875280954
Energy: 0.4218806778102149
Energy: 0.5423498183873356
Energy: 0.4630702574604575
Energy: 0.6692053392803723
Energy: 0.46307025746196123
Energy: 0.7615861365746175
Energy: 0.46030026439620386
Energy: 0.6639173221839508
Energy: 0.4603002643969557
Energy: 0.6694684082992582
Energy: 0.46030014121276
Energy: 0.6630532457874523
Energy: 0.4603001412135119
Energy: 0.8101558568355116
Energy: 0.42250584174444655
Energy: 0.5465567430650369
Energy: 0.42250584174294276
Energy: 0.7623533112425532
Energy: 0.41974031392487865
Energy: 0.4211873691818829
Energy: 0.4197403139241267
Energy: 0.7608035999003265
Energy: 0.422473099010975
Energy: 0.5413560123478578
Energy: 0.422473099010975
Energy: 0.7658687798534788
Energy: 0.42183598547458917
Energy: 0.42643270438599273
Energy: 0.421835985482108
Energy: 0.6704163021007161
Energy: 0.42022488564019644
Energy: 0.4203938883578034
Energy: 0.4202248856409483
Energy: 0.8619441343602069
Energy: 0.42150039965698965
Energy: 0.42507108345487915
Energy: 0.42150039965698965

minimum gb energy = 0.4197403139241267 eV
minimum distance =  2.60748923481721 Angstroms
sigma value = 41


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

Energy: 1.0590582007383469
Energy: 0.3860208469191676
Energy: 0.559816228044655
Energy: 0.38602084635292894
Energy: 0.8419242115069377
Energy: 0.3845959132338756
Energy: 0.4838834911241829
Energy: 0.3845959132332592
Energy: 0.9260113452434545
Energy: 0.3834560470827893
Energy: 0.48621284352703725
Energy: 0.3834560470815565
Energy: 0.764991883960626
Energy: 0.38579603928315576
Energy: 0.5936041696276294
Energy: 0.38579603928253936
Energy: 0.7649383077205241
Energy: 0.38277985802319936
Energy: 0.6737331329921399
Energy: 0.38277985802258296
Energy: 0.7605985893608234
Energy: 0.49953998611438927
Energy: 0.6744399650681282
Energy: 0.49953998611562206
Energy: 0.7639547711398196
Energy: 0.41812929516937913
Energy: 0.76526415468929
Energy: 0.418129295170612
Energy: 0.6798768236891225
Energy: 0.4174039607124164
Energy: 0.67373351103258
Energy: 0.4174039607179642
Energy: 0.5831318534270432
Energy: 0.49817891987552815
Energy: 0.8431003090714052
Energy: 0.49817891987306245
Energy: 0.5848007326198621
Energy: 0.3828918737719611
Energy: 0.7665482551864741
Energy: 0.3828918737719611
Energy: 0.4924716601479058
Energy: 0.38787889787665547
Energy: 0.9334629027802496
Energy: 0.38787889787295704
Energy: 0.4823698748694373
Energy: 0.3828750664274332
Energy: 0.8424675502073341
Energy: 0.3828750664274332
Energy: 0.4844446524873445
Energy: 0.38625330214881864
Energy: 0.8419370644230059
Energy: 0.38625330214758574
Energy: 0.3914516036319426
Energy: 0.38609605175573275
Energy: 0.8501862762451092
Energy: 0.3860960517545279
Energy: 0.3838488435323745
Energy: 0.38388995598222597
Energy: 0.7651326413184821
Energy: 0.38388995598222597
Energy: 0.388267765537921
Energy: 0.38520625903475614
Energy: 0.9279943817729409
Energy: 0.3852062590341397
Energy: 0.4901118797381173
Energy: 0.38661537801521173
Energy: 0.9302843942404752
Energy: 0.38661537801459533
Energy: 0.4811904392490644
Energy: 0.38307399608579334
Energy: 0.7631705048400168
Energy: 0.3830739960888755
Energy: 0.4851839617847992
Energy: 0.3855909476422392
Energy: 0.762383447499059
Energy: 0.3855909476428557
Energy: 0.6744689212064953
Energy: 0.3841884148346169
Energy: 0.7612715610346739
Energy: 0.3841884148346169
Energy: 0.6926576593095386
Energy: 0.38679563114287374
Energy: 0.7629283230878482
Energy: 0.38679563114225735
Energy: 0.6743969987310572
Energy: 0.4167935325684049
Energy: 0.7655538841032776
Energy: 0.4167935325690214
Energy: 0.8436790919135161
Energy: 0.4159602530330506
Energy: 0.7584786853063802
Energy: 0.4159602530312014
Energy: 0.6732186996819698
Energy: 0.4172209546900229
Energy: 0.6745115556435485
Energy: 0.4172209546900229
Energy: 0.8419017456177358
Energy: 0.38457507226360504
Energy: 0.577467707711582
Energy: 0.38457507226175575
Energy: 0.8435783954552015
Energy: 0.384074172538009
Energy: 0.6723724340669862
Energy: 0.38407417253921383
Energy: 0.8467387480737696
Energy: 0.38605622181083965
Energy: 0.48579705070274276
Energy: 0.38605622180960675
Energy: 0.7644751309387139
Energy: 0.38341174637532816
Energy: 0.4802046304385682
Energy: 0.38341174637471176
Energy: 0.8460903324606484
Energy: 0.38672132106298196
Energy: 0.4893979760275081
Energy: 0.3867213210617491
Energy: 0.8444222454766914
Energy: 0.3852624467313903
Energy: 0.385068017583175
Energy: 0.3852624467313903
Energy: 0.7635012973669549
Energy: 0.3838403541041231
Energy: 0.38331555649044263
Energy: 0.3838403541035067
Energy: 0.9198682030896375
Energy: 0.3855280176004034
Energy: 0.39075491935803724
Energy: 0.3855280176120874

minimum gb energy = 0.38277985802258296 eV
minimum distance =  2.60608039545249 Angstroms
sigma value = 15


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

Energy: 0.9101074693017829
Energy: 0.3601255055751256
Energy: 0.5371071210804327
Energy: 0.36012550995648523
Energy: 0.8969156929486178
Energy: 0.35618978634419407
Energy: 0.4437606986642948
Energy: 0.35618978634628284
Energy: 0.9715110664017741
Energy: 0.3559473668384369
Energy: 0.44226945043826454
Energy: 0.3559473668384369
Energy: 0.8352238695964403
Energy: 0.3581596099913864
Energy: 0.611446942834266
Energy: 0.3581596099919086
Energy: 0.830114486856079
Energy: 0.35415553150692614
Energy: 0.6031582190993225
Energy: 0.35415553150483736
Energy: 0.8295119200116026
Energy: 0.360649008452748
Energy: 0.6048553437889981
Energy: 0.36064900845431463
Energy: 0.6832195262230183
Energy: 0.3584198759002328
Energy: 0.7549353493246578
Energy: 0.35841987584488005
Energy: 0.7599132989620397
Energy: 0.3857849204559963
Energy: 0.6019742661723759
Energy: 0.38578492045756296
Energy: 0.6819817873303772
Energy: 0.5541173829010815
Energy: 0.7536672174914938
Energy: 0.5541173829016036
Energy: 0.6802806151864932
Energy: 0.4638696483063934
Energy: 0.8329756699755775
Energy: 0.4638696483043046
Energy: 0.6109705425051376
Energy: 0.3572152871110309
Energy: 0.8082454682700623
Energy: 0.3572152871047645
Energy: 0.5199126337073721
Energy: 0.36035963859098696
Energy: 0.897617396030288
Energy: 0.36035963859046477
Energy: 0.6046228058041694
Energy: 0.35489343419293756
Energy: 0.8994446608476152
Energy: 0.35489343419241537
Energy: 0.44794846355866474
Energy: 0.3581815765336418
Energy: 0.7603739167772823
Energy: 0.3581815765352084
Energy: 0.4368406153700119
Energy: 0.35472495451074465
Energy: 0.8303887434121145
Energy: 0.3547249545112669
Energy: 0.4442745895748413
Energy: 0.35694131306393956
Energy: 0.9004939137087831
Energy: 0.35694131306446175
Energy: 0.3608696446983868
Energy: 0.3566658516788302
Energy: 0.9041101844886474
Energy: 0.35666585168300774
Energy: 0.3555839571470942
Energy: 0.35490311345724673
Energy: 0.8299280017495138
Energy: 0.3549031134598577
Energy: 0.359291493318274
Energy: 0.3580824568939458
Energy: 0.831327919875849
Energy: 0.35808245689655677
Energy: 0.44630791932819064
Energy: 0.3585911354237069
Energy: 0.9742237484253807
Energy: 0.3585911354242291
Energy: 0.43557012109814774
Energy: 0.35476675346173947
Energy: 0.8299557998932535
Energy: 0.3547667534612173
Energy: 0.4469779873108125
Energy: 0.35730180446431015
Energy: 0.8339155766292301
Energy: 0.35730180446326576
Energy: 0.6047039474851531
Energy: 0.35513111327189
Energy: 0.8268505699162197
Energy: 0.3551311132734566
Energy: 0.6018930615033132
Energy: 0.36012482236430265
Energy: 0.8980379201461497
Energy: 0.3601248223632582
Energy: 0.6097263286084535
Energy: 0.35719326392161704
Energy: 0.7047049121250797
Energy: 0.35719326392579465
Energy: 0.7554927807818823
Energy: 0.4650236602680865
Energy: 0.8340339410375243
Energy: 0.4650236602701753
Energy: 0.6024635640098956
Energy: 0.383450326110694
Energy: 0.7542071410461396
Energy: 0.3834503261101719
Energy: 0.758982981539087
Energy: 0.3854933805960728
Energy: 0.6875108941297737
Energy: 0.38549338065351424
Energy: 0.7568720849599758
Energy: 0.3574022083226435
Energy: 0.755324018505675
Energy: 0.35740220832786546
Energy: 0.7557323917593787
Energy: 0.3619050951801368
Energy: 0.604775227823303
Energy: 0.36190509517282604
Energy: 0.8292749721446943
Energy: 0.35453197952555027
Energy: 0.519936608675631
Energy: 0.35453197952816123
Energy: 0.7609569814791771
Energy: 0.3576385316985273
Energy: 0.6102397534391923
Energy: 0.35763853170009385
Energy: 0.8996623115023902
Energy: 0.3561241198846762
Energy: 0.44262738732778234
Energy: 0.35612411988363185
Energy: 0.8969563142507007
Energy: 0.3555192417099241
Energy: 0.439962846069167
Energy: 0.3555192417114907
Energy: 0.9087549173700584
Energy: 0.35767777896982145
Energy: 0.36351889349889605
Energy: 0.35767777896982145
Energy: 0.8970474126139623
Energy: 0.35769512441288914
Energy: 0.3584051993112824
Energy: 0.35769512441341134
Energy: 0.9691442247610088
Energy: 0.35867310562589894
Energy: 0.3569309129453742
Energy: 0.35867310562485455

minimum gb energy = 0.35415553150483736 eV
minimum distance =  2.61174504384238 Angstroms
sigma value = 85


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

Energy: 0.9748711463679899
Energy: 0.3220534207245636
Energy: 0.3215329982071108
Energy: 0.3220534207304513
Energy: 0.8682183879178126
Energy: 0.3196209741097476
Energy: 0.39160999027180954
Energy: 0.3196209741097476
Energy: 0.8646012618933755
Energy: 0.31934084757483694
Energy: 0.39579343317324034
Energy: 0.31934084757528985
Energy: 0.7329892921888457
Energy: 0.3211454779423695
Energy: 0.5375017481795966
Energy: 0.3211454779102341
Energy: 0.8673496421895314
Energy: 0.31852151033796233
Energy: 0.535772421253046
Energy: 0.31852151033886816
Energy: 0.735465747898065
Energy: 0.31904274668767724
Energy: 0.5391903799050823
Energy: 0.31904274668767724
Energy: 0.7343032567675145
Energy: 0.31910942985544866
Energy: 0.6747037385485267
Energy: 0.31910942985635443
Energy: 0.8052828675687288
Energy: 0.3197084208538448
Energy: 0.533427188186025
Energy: 0.31970842085565643
Energy: 0.738278742547103
Energy: 0.3185761338565204
Energy: 0.6713621401427232
Energy: 0.318576133858332
Energy: 0.7379808409378891
Energy: 0.506845282895354
Energy: 0.7994596681036301
Energy: 0.506845282895354
Energy: 0.676941375498793
Energy: 0.42815669621733815
Energy: 0.7063313294056506
Energy: 0.42815669621733815
Energy: 0.608251569350953
Energy: 0.319433706958571
Energy: 0.8000852630866185
Energy: 0.31943370696400575
Energy: 0.6708806897082795
Energy: 0.32013929262521496
Energy: 0.8001464657353232
Energy: 0.3201392926256679
Energy: 0.5378236181865461
Energy: 0.31968139566885756
Energy: 0.6689235371152494
Energy: 0.31968139566885756
Energy: 0.457881652797131
Energy: 0.318587209794262
Energy: 0.8666114139263431
Energy: 0.3185872097951679
Energy: 0.5410958731357107
Energy: 0.31978490103334895
Energy: 0.8014838469934001
Energy: 0.31978490103244317
Energy: 0.39861889105612597
Energy: 0.3201396661776077
Energy: 0.7989801881830335
Energy: 0.3201396661757961
Energy: 0.3888670501685999
Energy: 0.31850837082026734
Energy: 0.8665873662667725
Energy: 0.3185083708193615
Energy: 0.3935031517676093
Energy: 0.3200414405016521
Energy: 0.8641008138515183
Energy: 0.3200414405011992
Energy: 0.32163152130543304
Energy: 0.3221816844762769
Energy: 0.8656685501144683
Energy: 0.3221816844762769
Energy: 0.31919511753934665
Energy: 0.3188273484822248
Energy: 0.867367654333159
Energy: 0.3188273484822248
Energy: 0.321428868920133
Energy: 0.32050474143976865
Energy: 0.8619830796962031
Energy: 0.3205047414415803
Energy: 0.3968925750031051
Energy: 0.32018024058709255
Energy: 0.8630691760162658
Energy: 0.32018024058573386
Energy: 0.3905938761638254
Energy: 0.3185100865294839
Energy: 0.8674950772617417
Energy: 0.3185100865294839
Energy: 0.3933215882899208
Energy: 0.3195314560549279
Energy: 0.7333979780548802
Energy: 0.3195314560567395
Energy: 0.5384381089819632
Energy: 0.3188029577681878
Energy: 0.8653391052213131
Energy: 0.318802957767282
Energy: 0.5365183056545269
Energy: 0.31857573763201785
Energy: 0.8637144534579156
Energy: 0.31857573763247077
Energy: 0.5380075875838535
Energy: 0.32014771522936863
Energy: 0.7343484887624335
Energy: 0.32014771522438673
Energy: 0.6740691327234031
Energy: 0.31879865831620147
Energy: 0.8682151518103263
Energy: 0.31879865829536796
Energy: 0.6717448697238189
Energy: 0.5048890621535279
Energy: 0.7354705992433429
Energy: 0.5048890621535279
Energy: 0.7422930457675139
Energy: 0.36654975424566993
Energy: 0.6068892634484157
Energy: 0.3665497542447641
Energy: 0.6700044840618508
Energy: 0.3662416219574111
Energy: 0.7408961672188605
Energy: 0.3662416220108328
Energy: 0.8007060627661264
Energy: 0.5046963321832233
Energy: 0.6048418950028815
Energy: 0.5046963321823176
Energy: 0.8689753052351674
Energy: 0.31886647072388824
Energy: 0.6056077770594404
Energy: 0.31886647074017205
Energy: 0.6689836023874911
Energy: 0.31944366094167664
Energy: 0.5376635618788351
Energy: 0.31944366095209337
Energy: 0.9267664593519005
Energy: 0.3186014392226899
Energy: 0.5357951466415334
Energy: 0.3186014392226899
Energy: 0.9267524652596074
Energy: 0.31898312976198234
Energy: 0.5384237574432318
Energy: 0.3189831297592855
Energy: 0.798721339440616
Energy: 0.32186774056649525
Energy: 0.39361752835856945
Energy: 0.32186774056649525
Energy: 0.867617031893526
Energy: 0.31855940479375167
Energy: 0.3901597066462852
Energy: 0.31855940479329875
Energy: 0.8646054338416894
Energy: 0.32045026337994886
Energy: 0.39713346755286527
Energy: 0.3204502633804018
Energy: 0.7978956885420414
Energy: 0.3195517774930502
Energy: 0.31841623037887823
Energy: 0.31955177749531466
Energy: 0.866848444708206
Energy: 0.31880304283271094
Energy: 0.31885490520998383
Energy: 0.318803042832258
Energy: 0.8618793223002134
Energy: 0.31983514942347463
Energy: 0.3210694726643019
Energy: 0.31983514942347463

minimum gb energy = 0.31841623037887823 eV
minimum distance =  2.61106778742094 Angstroms
sigma value = 113


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

Energy: 0.013463672389532473
Energy: 0.25979385573542796
Energy: 0.7482828542899361
Energy: 0.25979385573475094
Energy: 0.553451527239284
Energy: 0.0708705535824198
Energy: 0.5536527594315995
Energy: 0.0708705535824198
Energy: 0.014023799762924043
Energy: 0.06968102485958083
Energy: 0.552956674243259
Energy: 0.06968102485923265
Energy: 0.014894803663980237
Energy: 0.07189698299147006
Energy: 0.5559088500201679
Energy: 0.0718969829911219
Energy: 0.554816637147276
Energy: 0.07085600111269735
Energy: 0.5555327049863092
Energy: 0.0708560011123492
Energy: 0.014027374662504762
Energy: 0.0695636881793771
Energy: 0.552789434902284
Energy: 0.06956368817902894

minimum gb energy = 0.013463672389532473 eV
minimum distance =  2.8493502850851 Angstroms
sigma value = 1