Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999177455902
cohesive_energy=3.3532637442064797
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010340252883473238
Energy: 0.01190495425686426
Energy: 0.34896889163550754
Energy: 0.01190495425686426
Energy: 0.011904954257336215
Energy: 0.5764773304426624
Energy: 0.011904954257336215
Energy: 0.5764773304426624
Energy: 0.3489688916350078
Energy: 0.011904954257336215
Energy: 0.010340252883473238
Energy: 0.011904954257336215
Energy: 0.01190495425686426
Energy: 0.5764773304426624
Energy: 0.011904954257336215
Energy: 0.5764773304421626

minimum gb energy = 0.010340252883473238 eV
minimum distance =  2.67397307909705 Angstroms
sigma value = 1


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

Energy: 0.6195230930093617
Energy: 0.589393592864707
Energy: 0.6806668157362294
Energy: 0.5893935928653132
Energy: 0.6073481197195765
Energy: 0.6154506878227164
Energy: 0.5857117126537055
Energy: 0.6154506878227164
Energy: 0.6022319743866954
Energy: 0.5796272638015604
Energy: 0.6083714482515157
Energy: 0.5796272638015604
Energy: 0.5717659897218312
Energy: 0.6100353085185743
Energy: 0.5877275975333318
Energy: 0.6100353085179684
Energy: 0.5927791332352885
Energy: 0.5936636188457939
Energy: 0.6100077249005187
Energy: 0.5936636188451879
Energy: 0.5839901513307959
Energy: 0.6587410315204346
Energy: 0.5770523489748282
Energy: 0.6587410315216468
Energy: 0.5957497653997628
Energy: 0.5829745664625592
Energy: 0.5846749228982048
Energy: 0.5829745664631654
Energy: 0.5563269898339386
Energy: 0.5937003076585731
Energy: 0.5929819719238395
Energy: 0.5937003076585731
Energy: 0.5874067129970443
Energy: 0.7260173549126706
Energy: 0.6428419935955088
Energy: 0.7260173549126706
Energy: 0.5755472695562814
Energy: 0.5788799383325004
Energy: 0.5471058235370695
Energy: 0.5788799383325004
Energy: 0.5776053071146303
Energy: 0.6039822639442997
Energy: 0.587418873893768
Energy: 0.6039822639449056
Energy: 0.6205472399514382
Energy: 0.5936058482011844
Energy: 0.5816472251842968
Energy: 0.5936058482011844
Energy: 0.5841422187046047
Energy: 0.598118025761588
Energy: 0.5943648209759516
Energy: 0.598118025761588
Energy: 0.6702389758977175
Energy: 0.5881879100081475
Energy: 0.5852237905585567
Energy: 0.5881879100081475
Energy: 0.6034964695523982
Energy: 0.5951454718649071
Energy: 0.626726120655227
Energy: 0.5951454718649071
Energy: 0.602119110564674
Energy: 0.5896753209855642
Energy: 0.612573068654744
Energy: 0.5896753209855642
Energy: 0.6083617621256787
Energy: 0.5795111716337571
Energy: 0.5670559252577192
Energy: 0.5795111716337571
Energy: 0.5858073170736218
Energy: 0.5984519986694777
Energy: 0.5946312077272852
Energy: 0.5984519986688716
Energy: 0.5574572411915532
Energy: 0.591823139711753
Energy: 0.5819478678399603
Energy: 0.591823139711753
Energy: 0.6250298796822105
Energy: 0.7259450536196507
Energy: 0.5884044272244416
Energy: 0.7259450536202569
Energy: 0.5789419599293938
Energy: 0.5795024721232478
Energy: 0.5548678742821298
Energy: 0.5795024721238538
Energy: 0.5877173802143684
Energy: 0.6611576070018979
Energy: 0.6089536385120383
Energy: 0.6611576070018979
Energy: 0.6254173804872802
Energy: 0.5938811289795247
Energy: 0.571881628439819
Energy: 0.5938811289801308
Energy: 0.6101333968941024
Energy: 0.5801166975282033
Energy: 0.5840733619086507
Energy: 0.5801166975282033
Energy: 0.584833883722863
Energy: 0.6574208114968341
Energy: 0.6175164300814474
Energy: 0.65742081149744
Energy: 0.5946687693345448
Energy: 0.5936562127180975
Energy: 0.5572122130925137
Energy: 0.5936562127180975
Energy: 0.5896669076332435
Energy: 0.6818695743134979
Energy: 0.5874480296437129
Energy: 0.6818695743134979
Energy: 0.6019291448919081
Energy: 0.5778460968120238
Energy: 0.6070225022344715
Energy: 0.5778460968126299
Energy: 0.607074889542703
Energy: 0.61522686081264
Energy: 0.5819153404017835
Energy: 0.61522686081264
Energy: 0.6194983377399259
Energy: 0.589984923863588
Energy: 0.6443002448297523
Energy: 0.5899849238641942
Energy: 0.6087975320249993
Energy: 0.6053576769045039
Energy: 0.5844205245477992
Energy: 0.6053576769045039
Energy: 0.6073625521659823
Energy: 0.5821774322801436
Energy: 0.609424947198155
Energy: 0.5821774322801436
Energy: 0.5927350400945852
Energy: 0.6019154333101787
Energy: 0.5893235676201526
Energy: 0.6019154333101787

minimum gb energy = 0.5471058235370695 eV
minimum distance =  2.53999934251645 Angstroms
sigma value = 1


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

Energy: 0.648721968102022
Energy: 0.6356416588424381
Energy: 0.6670820717559033
Energy: 0.6356416588424381
Energy: 0.6206944743948035
Energy: 0.6520645984719
Energy: 0.6016358120660031
Energy: 0.652064598471209
Energy: 0.5727939666336113
Energy: 0.6363044610129097
Energy: 0.6417902030907766
Energy: 0.6363044610136007
Energy: 0.6034558860259817
Energy: 0.6301876393959079
Energy: 0.6096065442902159
Energy: 0.63018763939729
Energy: 0.6028955909745444
Energy: 0.617838769624542
Energy: 0.6472930915774895
Energy: 0.617838769624542
Energy: 0.6617374114329866
Energy: 0.6178315136000209
Energy: 0.6579649815363848
Energy: 0.6178315135986389
Energy: 0.6453989225250287
Energy: 0.6387663568583286
Energy: 0.6146749508339433
Energy: 0.6387663568866597
Energy: 0.5727196919647572
Energy: 0.6362199551230318
Energy: 0.6269356154310115
Energy: 0.6362199551237228
Energy: 0.6027063080331156
Energy: 0.774549297946315
Energy: 0.5876910618673339
Energy: 0.7745492979456239
Energy: 0.6067385902917618
Energy: 0.638135653250345
Energy: 0.6140420255195086
Energy: 0.638135653248963
Energy: 0.6604630090089302
Energy: 0.6268603795308701
Energy: 0.6046193276559632
Energy: 0.626860379531561
Energy: 0.5878960266726283
Energy: 0.62640374188347
Energy: 0.6420056870884358
Energy: 0.6264037418848521
Energy: 0.6129900944522902
Energy: 0.6151555210813201
Energy: 0.6086216904731251
Energy: 0.6151555210799381
Energy: 0.6130330548967012
Energy: 0.6152565547810556
Energy: 0.6181426277399833
Energy: 0.6152565547831287
Energy: 0.5877646067865461
Energy: 0.6264003724008245
Energy: 0.6238176252238233
Energy: 0.6264003724015155
Energy: 0.6606081197730908
Energy: 0.6268881979065583
Energy: 0.608603829966429
Energy: 0.6268881979079404
Energy: 0.6069617675419634
Energy: 0.6381266616462128
Energy: 0.5872712510684635
Energy: 0.6381266616469038
Energy: 0.6028140186729872
Energy: 0.7745131416328914
Energy: 0.5875392749628721
Energy: 0.7745131416328914
Energy: 0.5727935560629702
Energy: 0.6360650941255485
Energy: 0.6095058129406304
Energy: 0.6360650941241665
Energy: 0.6452718980919765
Energy: 0.6397187855322002
Energy: 0.609544011200107
Energy: 0.6397187855328911
Energy: 0.6616303325892988
Energy: 0.6177369017052123
Energy: 0.6000674212337578
Energy: 0.6177369017052123
Energy: 0.6028893691120477
Energy: 0.6178241300116958
Energy: 0.6190532894165979
Energy: 0.6178241300116958
Energy: 0.6031049759526167
Energy: 0.6301597993241079
Energy: 0.60895189117284
Energy: 0.6301597993227258
Energy: 0.5727360414108574
Energy: 0.637982440687448
Energy: 0.623974846716104
Energy: 0.637982440686757
Energy: 0.620811233947874
Energy: 0.6522263795031708
Energy: 0.6085324816149845
Energy: 0.6522263795024797
Energy: 0.6487219681034041
Energy: 0.6356416588417471
Energy: 0.6737538016100453
Energy: 0.6356416588424381
Energy: 0.6206944743948035
Energy: 0.6520645984719
Energy: 0.6016358120660031
Energy: 0.652064598470518
Energy: 0.5727939666336113
Energy: 0.6363044610129097
Energy: 0.6262870900567616
Energy: 0.6363044610136007
Energy: 0.6034558860259817
Energy: 0.630187639396599
Energy: 0.6038468793463189
Energy: 0.630187639396599

minimum gb energy = 0.5727196919647572 eV
minimum distance =  2.41678973653474 Angstroms
sigma value = 25


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

Energy: 0.6592915268241655
Energy: 0.6593847715100911
Energy: 0.7341179066751845
Energy: 0.6593847715100911
Energy: 0.6342057501319492
Energy: 0.6629165118526985
Energy: 0.6842004952788241
Energy: 0.6629165118518952
Energy: 0.6010150811331849
Energy: 0.689412867931532
Energy: 0.6671422240223666
Energy: 0.689412867931532
Energy: 0.637336232599744
Energy: 0.6747294163936077
Energy: 0.6334652551440302
Energy: 0.6747294163936077
Energy: 0.624563228591105
Energy: 0.6608188517571867
Energy: 0.6990341000398768
Energy: 0.6608188517571867
Energy: 0.7041171604467232
Energy: 0.6904120284814524
Energy: 0.6982420402778777
Energy: 0.6904120284814524
Energy: 0.6951147108586383
Energy: 0.6716614611742776
Energy: 0.6497050246691142
Energy: 0.6716614611734744
Energy: 0.7630998070327814
Energy: 0.6609618640391078
Energy: 0.6193964135265418
Energy: 0.6609618640391078
Energy: 0.6498036862917591
Energy: 0.6492297404944882
Energy: 0.7335562108244326
Energy: 0.6492297404952915
Energy: 0.6455992227815417
Energy: 0.6907063584221295
Energy: 0.6196869972749794
Energy: 0.6907063584221295
Energy: 0.6216452550806586
Energy: 0.6587780480796999
Energy: 0.6237144298145592
Energy: 0.6587780480796999
Energy: 0.619193537450356
Energy: 0.6593003000354434
Energy: 0.6361372040489811
Energy: 0.6593003000354434
Energy: 0.6671611676068272
Energy: 0.6767779434946115
Energy: 0.6188621179280983
Energy: 0.6767779434938083
Energy: 0.6500688612605426
Energy: 0.665415200410979
Energy: 0.6342721436411742
Energy: 0.665415200410979
Energy: 0.6241404119630404
Energy: 0.6616585265903718
Energy: 0.6091904876165664
Energy: 0.6616585265903718
Energy: 0.6243657523772933
Energy: 0.7371668119170272
Energy: 0.635009773823347
Energy: 0.7371668119162239
Energy: 0.6146492419204361
Energy: 0.6894255944159077
Energy: 0.6007729432317966
Energy: 0.6894255944159077
Energy: 0.6332056781645902
Energy: 0.6557735617366408
Energy: 0.6911289560884096
Energy: 0.6557735617366408
Energy: 0.6205997292123181
Energy: 0.6753150554167077
Energy: 0.6245461988232168
Energy: 0.6753150554175109
Energy: 0.6976970181571454
Energy: 0.6906661843147646
Energy: 0.6375193159976112
Energy: 0.6906661843147646
Energy: 0.6422361581927022
Energy: 0.6545138041249385
Energy: 0.6367693993768984
Energy: 0.6545138041241353
Energy: 0.6600899905041869
Energy: 0.6605329257537974
Energy: 0.7017709080885073
Energy: 0.6605329257537974
Energy: 0.6329586857483698
Energy: 0.6566523285194982
Energy: 0.6839925387951591
Energy: 0.6566523285194982
Energy: 0.6008526636578574
Energy: 0.6886255824761192
Energy: 0.6456056802098835
Energy: 0.6886255824761192
Energy: 0.722045295571248
Energy: 0.6749253961823615
Energy: 0.6331289577811744
Energy: 0.6749253961823615

minimum gb energy = 0.6007729432317966 eV
minimum distance =  2.43433077008238 Angstroms
sigma value = 9


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

Energy: 0.6629573838595988
Energy: 0.716154683339381
Energy: 0.7895270613502325
Energy: 0.716154683339381
Energy: 0.6678461874380046
Energy: 0.6839087706115515
Energy: 0.6450845888124922
Energy: 0.6839087706115515
Energy: 0.6705762751233253
Energy: 0.7177048802113684
Energy: 0.6446514789288852
Energy: 0.7177048802123267
Energy: 0.8018991543604234
Energy: 0.7358065225191681
Energy: 0.6571516016764682
Energy: 0.7358065225191681
Energy: 0.7412157597219917
Energy: 0.6834847814194382
Energy: 0.7588118317006831
Energy: 0.6834847814194382
Energy: 0.6274050952273896
Energy: 0.7152582551028259
Energy: 0.6895478082018455
Energy: 0.7152582551018676
Energy: 0.8292777051923083
Energy: 0.6777380838233064
Energy: 0.6670172113441772
Energy: 0.6777380838233064
Energy: 0.7252646970764433
Energy: 0.715124281467367
Energy: 0.6419571565523722
Energy: 0.715124281467367
Energy: 0.6440894678424687
Energy: 0.6837923785989221
Energy: 0.7009200188084521
Energy: 0.6837923785998804
Energy: 0.694873717909777
Energy: 0.7142831027642967
Energy: 0.6537167935853153
Energy: 0.7142831027633385
Energy: 0.6362589920860127
Energy: 0.700267268317293
Energy: 0.6571395147780967
Energy: 0.7002672683163348
Energy: 0.7632874062432873
Energy: 0.7140958000570146
Energy: 0.6573242399991159
Energy: 0.7140958000570146
Energy: 0.6274016133359569
Energy: 0.7173647390182509
Energy: 0.6543758560435535
Energy: 0.7173647390192093
Energy: 0.6975911719236872
Energy: 0.6486426326107334
Energy: 0.7572291382613946
Energy: 0.6486426326107334
Energy: 0.627412874188572
Energy: 0.7173738533862268
Energy: 0.6838653525772339
Energy: 0.7173738533862268
Energy: 0.763241771957303
Energy: 0.7140759478627432
Energy: 0.6572622887677266
Energy: 0.7140759478618066
Energy: 0.6363645966294063
Energy: 0.7002657499023524
Energy: 0.6405315342059321
Energy: 0.700265749901394
Energy: 0.6948983357201189
Energy: 0.7142448822718158
Energy: 0.653618559429782
Energy: 0.7142448822708575
Energy: 0.6451236036835948
Energy: 0.6838172566379696
Energy: 0.704124296679748
Energy: 0.6838172566379696
Energy: 0.7253786707669099
Energy: 0.7150965692888334
Energy: 0.6420547826739395
Energy: 0.7150965692888334
Energy: 0.8293024771420714
Energy: 0.677709832595055
Energy: 0.6671193954787252
Energy: 0.6777098325960131

minimum gb energy = 0.6274016133359569 eV
minimum distance =  2.5091223171603 Angstroms
sigma value = 25


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

Energy: 0.6806675586730552
Energy: 0.7303273789077147
Energy: 0.870620650871849
Energy: 0.7303273789088998
Energy: 0.6697287230655515
Energy: 0.7435717364983683
Energy: 0.6599665089621803
Energy: 0.7435717364983683
Energy: 0.7686588795559007
Energy: 0.7586265141272337
Energy: 0.6605209612233254
Energy: 0.7586265141272337
Energy: 0.7964282552313348
Energy: 0.7312329475564553
Energy: 0.7708152887801236
Energy: 0.7312329475564553
Energy: 0.77170505592409
Energy: 0.7010688335624616
Energy: 0.659873779587598
Energy: 0.7010688335624616
Energy: 0.6596129334602507
Energy: 0.761677304222252
Energy: 0.782186580456776
Energy: 0.761677304222252
Energy: 0.6594366460664656
Energy: 0.7002025634001097
Energy: 0.6707977441835528
Energy: 0.7002025634001097
Energy: 0.7692603940393826
Energy: 0.7320674566301942
Energy: 0.6726057164616117
Energy: 0.7320674566301942
Energy: 0.661257319449885
Energy: 0.7009085740044593
Energy: 0.6600626834342885
Energy: 0.7009085740044593
Energy: 0.786215972657298
Energy: 0.7233585041824021
Energy: 0.7706624235015775
Energy: 0.7233585041824021
Energy: 0.6812193071111028
Energy: 0.7301139731576073
Energy: 0.8695502995456783
Energy: 0.7301139731576073
Energy: 0.6603553694768749
Energy: 0.6734539940803086
Energy: 0.787683111094807
Energy: 0.6734539940803086
Energy: 0.7720042766522182
Energy: 0.7587109179890922
Energy: 0.6456895110370037
Energy: 0.7587109179890922
Energy: 0.6734110400945398
Energy: 0.7297620859721906
Energy: 0.6724661655261575
Energy: 0.7297620859710056
Energy: 0.6703585506905123
Energy: 0.7298709145221964
Energy: 0.7713387024105077
Energy: 0.7298709145221964
Energy: 0.6618570002376315
Energy: 0.7237135516353712
Energy: 0.6598014181308296
Energy: 0.7237135516365564
Energy: 0.6615048163757488
Energy: 0.7335199607167805
Energy: 0.7871326488982301
Energy: 0.7335199607167805

minimum gb energy = 0.6456895110370037 eV
minimum distance =  2.54195067171387 Angstroms
sigma value = 17


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

Energy: 0.7175341374580388
Energy: 0.7213669513320449
Energy: 0.9042636133219287
Energy: 0.7213669513313739
Energy: 0.7511182774098148
Energy: 0.7075548518373517
Energy: 0.6563580870968836
Energy: 0.7075548518373517
Energy: 0.8115783512658452
Energy: 0.709868385245302
Energy: 0.6600752932939206
Energy: 0.709868385245302
Energy: 0.6978405618352133
Energy: 0.719399895053055
Energy: 0.705574030431125
Energy: 0.719399895053055
Energy: 0.8066019863677277
Energy: 0.7186853623480718
Energy: 0.7669280418182702
Energy: 0.7186853623480718
Energy: 0.6636009689579723
Energy: 0.738960323195711
Energy: 0.7556522307438305
Energy: 0.738960323195711
Energy: 0.6940210664304245
Energy: 0.6991368876971017
Energy: 0.6761473181994209
Energy: 0.6991368876964305
Energy: 0.7763865850927588
Energy: 0.7506710637655511
Energy: 0.6645047507640218
Energy: 0.7506710637662223
Energy: 0.7013727515424325
Energy: 0.7151797163171174
Energy: 0.7572110962667717
Energy: 0.7151797163177885
Energy: 0.8571134964551389
Energy: 0.7060910266143612
Energy: 0.6582410886713036
Energy: 0.7060910266143612
Energy: 0.6564732869276698
Energy: 0.7163431442841007
Energy: 0.8575700219801446
Energy: 0.7163431442841007
Energy: 0.6646079583878717
Energy: 0.6986241724502841
Energy: 0.6796746488027026
Energy: 0.6986241724509552
Energy: 0.820723047093279
Energy: 0.7158780589191112
Energy: 0.7326602720362025
Energy: 0.7158780589184399
Energy: 0.6586989476733213
Energy: 0.7461714104727966
Energy: 0.749607519790568
Energy: 0.7461714104734677
Energy: 0.711058107649696
Energy: 0.7255034211149279
Energy: 0.7159470432917004
Energy: 0.7255034211149279
Energy: 0.7461355160667338
Energy: 0.7499385835476434
Energy: 0.7491139760753475
Energy: 0.7499385835476434
Energy: 0.6767238374448985
Energy: 0.712971611765778
Energy: 0.8112134413399849
Energy: 0.7129716117664492
Energy: 0.7360018095867488
Energy: 0.7102520684060609
Energy: 0.6635473561346056
Energy: 0.7102520684060609
Energy: 0.6967057356754404
Energy: 0.7160424180609286
Energy: 0.7092371050971205
Energy: 0.7160424180602576
Energy: 0.6767078327282654
Energy: 0.7392860469245182
Energy: 0.7535539097017283
Energy: 0.7392860469245182
Energy: 0.7034490651945198
Energy: 0.7098073103367013
Energy: 0.7765981684425849
Energy: 0.7098073103367013
Energy: 0.6766147792662164
Energy: 0.7332018074823365
Energy: 0.8591109897676923
Energy: 0.7332018074823365
Energy: 0.7804541408434758
Energy: 0.7208538992907757
Energy: 0.6594817718746999
Energy: 0.7208538992907757
Energy: 0.6976845055187956
Energy: 0.7238279685558717
Energy: 0.7457817597385481
Energy: 0.7238279685558717
Energy: 0.6994164379192374
Energy: 0.7399657073587222
Energy: 0.7470702705430989
Energy: 0.7399657073587222
Energy: 0.7522971733691252
Energy: 0.7183529435706796
Energy: 0.6556879536529733
Energy: 0.7183529435700082
Energy: 0.6669941963652127
Energy: 0.7643078509645022
Energy: 0.8720981990346411
Energy: 0.7643078509645022
Energy: 0.7353138381725756
Energy: 0.7373832065202018
Energy: 0.7772677420095021
Energy: 0.7373832065208729
Energy: 0.7765674393365841
Energy: 0.7397751598176913
Energy: 0.7049000419510733
Energy: 0.7397751598176913
Energy: 0.6643413965878302
Energy: 0.7153181276946649
Energy: 0.7507178864783242
Energy: 0.7153181276946649

minimum gb energy = 0.6556879536529733 eV
minimum distance =  2.42270911991782 Angstroms
sigma value = 53


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

Energy: 0.5953999505789739
Energy: 0.595699056639834
Energy: 0.9255554315414314
Energy: 0.595699056639834
Energy: 0.7584835479201993
Energy: 0.6579785331348809
Energy: 0.6972503989136712
Energy: 0.6579785331348809
Energy: 0.75949596317995
Energy: 0.5962809104241167
Energy: 0.7402215083403172
Energy: 0.5962809104241167
Energy: 0.7600171568451385
Energy: 0.5963828155200737
Energy: 0.692775957291163
Energy: 0.5963828155200737
Energy: 0.7584773914709005
Energy: 0.6579549342367771
Energy: 0.649918684097312
Energy: 0.6579549342367771
Energy: 0.595399950580519
Energy: 0.595699056639834
Energy: 0.8447375348032891
Energy: 0.595699056639834
Energy: 0.7584835577119525
Energy: 0.6579785331348809
Energy: 0.6972503989136712
Energy: 0.6579785331348809
Energy: 0.7595144898714227
Energy: 0.5962809104241167
Energy: 0.7402215083464977
Energy: 0.5962809104241167
Energy: 0.7600091851628717
Energy: 0.5963828155200737
Energy: 0.6972633870441526
Energy: 0.5963828155200737
Energy: 0.7584773535749298
Energy: 0.6579549342367771
Energy: 0.7300296608162199
Energy: 0.6579549342367771
Energy: 0.595399950580519
Energy: 0.595699056639834
Energy: 0.8447488817186357
Energy: 0.595699056639834
Energy: 0.7584835265528429
Energy: 0.6579785331348809
Energy: 0.6973319780212806
Energy: 0.6579785331348809
Energy: 0.7596887640420307
Energy: 0.5962809104241167
Energy: 0.7402215083495879
Energy: 0.5962809104241167

minimum gb energy = 0.5953999505789739 eV
minimum distance =  2.53304744321369 Angstroms
sigma value = 9


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

Energy: 0.6699997051074938
Energy: 0.7186536203046595
Energy: 0.8766664204761508
Energy: 0.7186536203046595
Energy: 0.8014899038293857
Energy: 0.6989801277956644
Energy: 0.6884881924405022
Energy: 0.6989801277950926
Energy: 0.7409072049061236
Energy: 0.7087387164979262
Energy: 0.7020736909602744
Energy: 0.7087387164973543
Energy: 0.796564003799852
Energy: 0.7163921611848092
Energy: 0.7015230616911603
Energy: 0.7163921611848092
Energy: 0.8313891525833813
Energy: 0.7070385180334938
Energy: 0.7019797050321687
Energy: 0.7070385180334938
Energy: 0.6629643580500247
Energy: 0.6934891774400062
Energy: 0.8145529244988672
Energy: 0.6934891774405779
Energy: 0.8723488786727948
Energy: 0.7023953519044779
Energy: 0.6972701935054262
Energy: 0.7023953519044779
Energy: 0.6915418384833072
Energy: 0.7267549620431404
Energy: 0.7290045441896323
Energy: 0.7267549620437123
Energy: 0.7554674082103865
Energy: 0.7374372518359834
Energy: 0.674565505352899
Energy: 0.7374372518359834
Energy: 0.7405881454341887
Energy: 0.6985062761154708
Energy: 0.6761064501784675
Energy: 0.6985062761154708
Energy: 0.6894656429193394
Energy: 0.7188976776176048
Energy: 0.8485938403553602
Energy: 0.7188976776181767
Energy: 0.780355985351377
Energy: 0.7617695432673419
Energy: 0.697080136042075
Energy: 0.7617695432673419
Energy: 0.6867947444283661
Energy: 0.7015189604364782
Energy: 0.7929944834960974
Energy: 0.7015189604359063
Energy: 0.7872041027293466
Energy: 0.7266997807780151
Energy: 0.6878575155364374
Energy: 0.7266997807780151
Energy: 0.6972355237432958
Energy: 0.718043361680569
Energy: 0.7227733435888706
Energy: 0.718043361680569
Energy: 0.6873264816863393
Energy: 0.7482718931255086
Energy: 0.7268565836305916
Energy: 0.7482718931255086
Energy: 0.7144825050332803
Energy: 0.718161998048726
Energy: 0.6980710218087436
Energy: 0.718161998048726
Energy: 0.6996479084088556
Energy: 0.7018886775145972
Energy: 0.8522784608622661
Energy: 0.701888677515169
Energy: 0.841877105726623
Energy: 0.7143285114301937
Energy: 0.6706176700362603
Energy: 0.7143285114307656
Energy: 0.6872199040107825
Energy: 0.706620259960503
Energy: 0.7667717166267872
Energy: 0.706620259960503
Energy: 0.7534279074805256
Energy: 0.7258463585777869
Energy: 0.7525270133424014
Energy: 0.7258463585783588
Energy: 0.721627390713844
Energy: 0.7229337361619054
Energy: 0.6740570551529194
Energy: 0.7229337361619054
Energy: 0.6822446116937062
Energy: 0.7150379727375302
Energy: 0.7552749083770663
Energy: 0.7150379727369583
Energy: 0.8200484248481311
Energy: 0.7291304898170657
Energy: 0.6892768033897073
Energy: 0.7291304898176376
Energy: 0.6899257901110879
Energy: 0.7652959312467374
Energy: 0.8460892593443934
Energy: 0.7652959312467374
Energy: 0.7083518527746945
Energy: 0.693977247314625
Energy: 0.6865450823850114
Energy: 0.6939772473151968
Energy: 0.716147034028349
Energy: 0.7094762742798034
Energy: 0.7558917131489048
Energy: 0.7094762742798034
Energy: 0.6915668281598115
Energy: 0.7310754307454989
Energy: 0.7450632947445077
Energy: 0.7310754307449271
Energy: 0.7116845341083229
Energy: 0.6938156426539649
Energy: 0.6734034558004189
Energy: 0.6938156426539649
Energy: 0.6888516433008417
Energy: 0.7641520223979371
Energy: 0.8290055839046664
Energy: 0.7641520223979371
Energy: 0.8164865209867467
Energy: 0.7264925449589282
Energy: 0.7037466456528785
Energy: 0.7264925449583564
Energy: 0.6846787048725487
Energy: 0.7031066745348583
Energy: 0.7542044781359314
Energy: 0.7031066745348583
Energy: 0.6848670647861715
Energy: 0.7145686891258524
Energy: 0.740728129106817
Energy: 0.7145686891258524
Energy: 0.7549881309699856
Energy: 0.7327346617130047
Energy: 0.7533911542001933
Energy: 0.7327346617135766
Energy: 0.7043483469973001
Energy: 0.7436475587465814
Energy: 0.8676021044499895
Energy: 0.7436475587465814

minimum gb energy = 0.6629643580500247 eV
minimum distance =  2.47260661543261 Angstroms
sigma value = 73


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

Energy: 0.6652558010160086
Energy: 0.7084608193168971
Energy: 0.8244853905953015
Energy: 0.7084608193168971
Energy: 0.7514561879866356
Energy: 0.7098537507857481
Energy: 0.7017033532161483
Energy: 0.7098537507857481
Energy: 0.689850474649569
Energy: 0.6927995542087404
Energy: 0.701773537721838
Energy: 0.6927995542087404
Energy: 0.7042934770310982
Energy: 0.7128114104070766
Energy: 0.7071907036158032
Energy: 0.7128114104061694
Energy: 0.6826801684660191
Energy: 0.7100463105468
Energy: 0.680300587652018
Energy: 0.7100463105468
Energy: 0.7098919615102799
Energy: 0.7196677842305356
Energy: 0.8304858734978253
Energy: 0.7196677842314428
Energy: 0.8595342786494056
Energy: 0.6935187857245086
Energy: 0.7020624811464987
Energy: 0.6935187857254159
Energy: 0.6842080385885957
Energy: 0.6871863716727514
Energy: 0.7931805475030792
Energy: 0.6871863716727514
Energy: 0.8506628409412681
Energy: 0.7015041891478031
Energy: 0.6771296490434121
Energy: 0.7015041891468957
Energy: 0.7098572855158661
Energy: 0.696147935912061
Energy: 0.6896636416608388
Energy: 0.696147935912061
Energy: 0.702919897661355
Energy: 0.7295825116051516
Energy: 0.8488459552277402
Energy: 0.7295825116051516
Energy: 0.7611914917769151
Energy: 0.7124369644195941
Energy: 0.6840463320096989
Energy: 0.7124369644195941
Energy: 0.7086291110318217
Energy: 0.7004875905294095
Energy: 0.9010914474641979
Energy: 0.7004875905294095
Energy: 0.8091745601729653
Energy: 0.7013926019662441
Energy: 0.7099220599291809
Energy: 0.7013926019662441
Energy: 0.6705493570732387
Energy: 0.7191289559652708
Energy: 0.7593870719568249
Energy: 0.7191289559652708
Energy: 0.7671442480374893
Energy: 0.7278194062437651
Energy: 0.7023922560329344
Energy: 0.7278194062437651
Energy: 0.6757113864020264
Energy: 0.692800832149932
Energy: 0.6901207438995833
Energy: 0.692800832149932
Energy: 0.6756842466699673
Energy: 0.6926216808702151
Energy: 0.6887785466234957
Energy: 0.6926216808702151
Energy: 0.7008219829231395
Energy: 0.7019681499874427
Energy: 0.6828529108601195
Energy: 0.7019681499874427
Energy: 0.7018203266261057
Energy: 0.719914002987859
Energy: 0.8584734902554271
Energy: 0.719914002987859
Energy: 0.8109531022846906
Energy: 0.692936760221994
Energy: 0.731942511801298
Energy: 0.6929367602229013
Energy: 0.7070461405426662
Energy: 0.7014893421913069
Energy: 0.9007641159527027
Energy: 0.7014893421913069

minimum gb energy = 0.6652558010160086 eV
minimum distance =  2.45826082247968 Angstroms
sigma value = 7


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

Energy: 0.6834934715843556
Energy: 0.7182438242413698
Energy: 0.8122891187426275
Energy: 0.7182438242413698
Energy: 0.7843859118985694
Energy: 0.6972269036829548
Energy: 0.7285690876634509
Energy: 0.6972269036842379
Energy: 0.7066588328282037
Energy: 0.7056269124654583
Energy: 0.7141406980763212
Energy: 0.705626912467383
Energy: 0.8328013216856439
Energy: 0.7081816568958563
Energy: 0.702962007522763
Energy: 0.7081816568964977
Energy: 0.7061281881658333
Energy: 0.7020130135682711
Energy: 0.7157826947826346
Energy: 0.7020130135682711
Energy: 0.6996489892784425
Energy: 0.7066687287762801
Energy: 0.8247977346912684
Energy: 0.706668728774997
Energy: 0.7882854934569345
Energy: 0.7738769076666108
Energy: 0.7350859806952932
Energy: 0.7738769076678941
Energy: 0.6983651190636989
Energy: 0.7151166650992153
Energy: 0.8433659500056957
Energy: 0.7151166650992153
Energy: 0.8704519519032275
Energy: 0.7036706920744701
Energy: 0.7027117899816046
Energy: 0.7036706920751118
Energy: 0.7042254900463759
Energy: 0.7161872718272827
Energy: 0.7778533773251222
Energy: 0.7161872718272827
Energy: 0.7212821037514193
Energy: 0.72256754921718
Energy: 0.7231026337143303
Energy: 0.72256754921718
Energy: 0.6998568889949347
Energy: 0.7051928691970061
Energy: 0.7100482102228126
Energy: 0.7051928691970061
Energy: 0.6940666583207187
Energy: 0.700364106413167
Energy: 0.8328419299418215
Energy: 0.7003641064118837
Energy: 0.7105247727179195
Energy: 0.7025287105571589
Energy: 0.7399180329161714
Energy: 0.7025287105578005
Energy: 0.7040583414542679
Energy: 0.7057409056618668
Energy: 0.7921006652220396
Energy: 0.7057409056612252
Energy: 0.8035422157960613
Energy: 0.7027443107280633
Energy: 0.6836023159680295
Energy: 0.7027443107293465
Energy: 0.6983707132318411
Energy: 0.6986228214873913
Energy: 0.8499442530264631
Energy: 0.698622821488033
Energy: 0.7073462769691375
Energy: 0.7704221510198981
Energy: 0.7318741718745677
Energy: 0.7704221510205397
Energy: 0.6985229934397159
Energy: 0.6971634976763335
Energy: 0.8313943243826873
Energy: 0.6971634976750505
Energy: 0.701529235482988
Energy: 0.704565630637425
Energy: 0.7208278505732393
Energy: 0.7045656306380667
Energy: 0.8430597736269934
Energy: 0.6969919353639955
Energy: 0.7028350565708703
Energy: 0.6969919353659203
Energy: 0.7243735201115328
Energy: 0.7209889044345162
Energy: 0.7555597830701757
Energy: 0.7209889044332329
Energy: 0.8077392900717719
Energy: 0.7091260451679766
Energy: 0.7260999181068275
Energy: 0.7091260451673352
Energy: 0.6892204687734536
Energy: 0.718945662067161
Energy: 0.8122432158167995
Energy: 0.7189456620658778
Energy: 0.7484061725709171
Energy: 0.7020881332602882
Energy: 0.7174207439473964
Energy: 0.702088133262213
Energy: 0.722834753034777
Energy: 0.7326506893581972
Energy: 0.7098833611937411
Energy: 0.7326506893581972
Energy: 0.706067139075
Energy: 0.715359267086492
Energy: 0.7702452673165716
Energy: 0.7153592670852088
Energy: 0.728402327089193
Energy: 0.7004203848854879
Energy: 0.7029647882669338
Energy: 0.7004203848854879
Energy: 0.6779325172333333
Energy: 0.7114964284459971
Energy: 0.8033083786713261
Energy: 0.7114964284472803
Energy: 0.7466163620323002
Energy: 0.7010996578589401
Energy: 0.7283553858451429
Energy: 0.7010996578582986
Energy: 0.6779337687520401
Energy: 0.7114175074090022
Energy: 0.7636482493266539
Energy: 0.7114175074102854

minimum gb energy = 0.6779325172333333 eV
minimum distance =  2.45510580522259 Angstroms
sigma value = 29


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

Energy: 0.6539341600017659
Energy: 0.6379644458264537
Energy: 0.6956987233502179
Energy: 0.6379644458266771
Energy: 0.6783215760124678
Energy: 0.6690876041436339
Energy: 0.6739747126653057
Energy: 0.6690876041442796
Energy: 0.6876499064048851
Energy: 0.6559051258664659
Energy: 0.6500434462217122
Energy: 0.6559051258671362
Energy: 0.6535123873927566
Energy: 0.6337702254122919
Energy: 0.6735891885053887
Energy: 0.6337702251169752
Energy: 0.6541515256693047
Energy: 0.6375513517969913
Energy: 0.6814393489133926
Energy: 0.6375513517972148
Energy: 0.6780149192849132
Energy: 0.6618028314313996
Energy: 0.6780083323650719
Energy: 0.6618028314313996
Energy: 0.6884765747606194
Energy: 0.6375322112977924
Energy: 0.654158321895353
Energy: 0.6375322112977924
Energy: 0.6737310610497527
Energy: 0.633786531764156
Energy: 0.6535376571737981
Energy: 0.6337865317687498
Energy: 0.6501346310438432
Energy: 0.6553732770118844
Energy: 0.6814075555359347
Energy: 0.6553732770118844

minimum gb energy = 0.6337702251169752 eV
minimum distance =  2.5218699288409 Angstroms
sigma value = 5


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

Energy: 0.6473505889632566
Energy: 0.6725879097931228
Energy: 0.7864600307102232
Energy: 0.6725879097931228
Energy: 0.644407245690386
Energy: 0.7027777704744534
Energy: 0.6286804542481367
Energy: 0.7027777704738475
Energy: 0.624852880984782
Energy: 0.7156452792888953
Energy: 0.7421615721782714
Energy: 0.7156452792895014
Energy: 0.7234868559700977
Energy: 0.6788936964088986
Energy: 0.6431125964147074
Energy: 0.6788936964082926
Energy: 0.6294403866928046
Energy: 0.6989998765847905
Energy: 0.7324327773588938
Energy: 0.6989998765847905
Energy: 0.6773856303746684
Energy: 0.6940231690273538
Energy: 0.6357245655134669
Energy: 0.6940231690273538
Energy: 0.6308082021933814
Energy: 0.6659666672397265
Energy: 0.6274918084114175
Energy: 0.6659666672403326
Energy: 0.629528125550697
Energy: 0.6871088978122561
Energy: 0.746793615557647
Energy: 0.6871088978116502
Energy: 0.6361027396079502
Energy: 0.7297269893478081
Energy: 0.6318633170035951
Energy: 0.7297269893472019
Energy: 0.6357328223021893
Energy: 0.6958050321590169
Energy: 0.6476238850288505
Energy: 0.6958050321596231
Energy: 0.6328577755991015
Energy: 0.696865865160703
Energy: 0.6273329193201593
Energy: 0.696865865161309
Energy: 0.6249832768623179
Energy: 0.7096024883291601
Energy: 0.711645302128511
Energy: 0.7096024883279479
Energy: 0.7782303908176292
Energy: 0.6412817806786805
Energy: 0.6439647497391684
Energy: 0.6412817806798926
Energy: 0.6298330996722599
Energy: 0.6428035062884876
Energy: 0.7081396945171674
Energy: 0.6428035062903058
Energy: 0.7629316909238895
Energy: 0.718436426104569
Energy: 0.6277551089074876
Energy: 0.718436426104569
Energy: 0.6351083404927211
Energy: 0.7336444951787618
Energy: 0.7777880517294533
Energy: 0.7336444951775498
Energy: 0.6545062401317491
Energy: 0.6846271914644826
Energy: 0.6315895456639266
Energy: 0.6846271914650887
Energy: 0.6324148856827534
Energy: 0.6936868208800329
Energy: 0.7818866478313142
Energy: 0.6936868208800329
Energy: 0.637351846144221
Energy: 0.6661559591591599
Energy: 0.6274590352845414
Energy: 0.6661559591585539
Energy: 0.6238523722448018
Energy: 0.672743202176883
Energy: 0.6371343010717198
Energy: 0.672743202176277
Energy: 0.6844628154270129
Energy: 0.7228834332881349
Energy: 0.6349586695382352
Energy: 0.722883433289953
Energy: 0.6358584845718297
Energy: 0.6612894850230159
Energy: 0.6361027909938117
Energy: 0.6612894850224098
Energy: 0.6214385508876149
Energy: 0.6956702698709989
Energy: 0.6211999930374792
Energy: 0.695670269872211
Energy: 0.6945249079179736
Energy: 0.6914102830207937
Energy: 0.6238832238934057
Energy: 0.6914102830207937
Energy: 0.6982856292791888
Energy: 0.6954140711940178
Energy: 0.6281705784488079
Energy: 0.6954140711946237
Energy: 0.6430351333018334
Energy: 0.6940305678227133
Energy: 0.6296232344737083
Energy: 0.6940305678233193
Energy: 0.6288972061954089
Energy: 0.6746702433226932
Energy: 0.7077848206644848
Energy: 0.6746702433232992
Energy: 0.7084245872917652
Energy: 0.754546943464249
Energy: 0.6338628563873879
Energy: 0.754546943464249
Energy: 0.6258751962365394
Energy: 0.7227779747192539
Energy: 0.6621230670923116
Energy: 0.7227779747186478
Energy: 0.8380220991694177
Energy: 0.6408379769814304
Energy: 0.6346477979144681
Energy: 0.6408379769820364
Energy: 0.6309348168428986
Energy: 0.6374024493342947
Energy: 0.7688833794224119
Energy: 0.6374024493342947
Energy: 0.7049982226764114
Energy: 0.7219369948359846
Energy: 0.6247485114245568
Energy: 0.7219369948341666
Energy: 0.6375134140862587
Energy: 0.7229423060739274
Energy: 0.7072837930573507
Energy: 0.7229423060727154

minimum gb energy = 0.6211999930374792 eV
minimum distance =  2.44810386623182 Angstroms
sigma value = 1


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

Energy: 0.6103837925924281
Energy: 0.6108133124259433
Energy: 0.7020951716691973
Energy: 0.6108133124267812
Energy: 0.7217858167489093
Energy: 0.7120290613807955
Energy: 0.6058392642097381
Energy: 0.7120290613799576
Energy: 0.591634261910385
Energy: 0.6108403994492188
Energy: 0.7690491210646984
Energy: 0.6108403994500569
Energy: 0.6913221241087016
Energy: 0.6556105709419489
Energy: 0.5976294750679434
Energy: 0.6556105709444628
Energy: 0.5919000577055804
Energy: 0.6734300836817324
Energy: 0.667595725410316
Energy: 0.6734300836825703
Energy: 0.7598595014156734
Energy: 0.7091408916605435
Energy: 0.5990273209602955
Energy: 0.7091408916597057
Energy: 0.5902185554042774
Energy: 0.6503327633445138
Energy: 0.6392110701441657
Energy: 0.6503327633453518
Energy: 0.5899007821305853
Energy: 0.6762326443089288
Energy: 0.6397459920556691
Energy: 0.6762326443097667
Energy: 0.6104379702431535
Energy: 0.6124339374617599
Energy: 0.6160886114917943
Energy: 0.612433937460084
Energy: 0.6103831095889397
Energy: 0.6124065506629931
Energy: 0.6407621621483487
Energy: 0.6124065506621552
Energy: 0.5900653949601267
Energy: 0.6762368030988211
Energy: 0.6050644202760882
Energy: 0.6762368031004778
Energy: 0.5901734098528607
Energy: 0.65054340194477
Energy: 0.6390187679015
Energy: 0.6505434019439322
Energy: 0.7605749391118399
Energy: 0.7091060838653365
Energy: 0.5991990413764997
Energy: 0.7091060838653365
Energy: 0.5920134631109468
Energy: 0.6733355869810985
Energy: 0.6802550721746944
Energy: 0.6733355869802605
Energy: 0.6912323185121437
Energy: 0.6557219690304229
Energy: 0.5976186855838612
Energy: 0.6557219690304229
Energy: 0.5916234831583613
Energy: 0.6110095915761761
Energy: 0.6193800585297721
Energy: 0.6110095915770142
Energy: 0.7216332418872213
Energy: 0.7119901783345125
Energy: 0.6058562903425204
Energy: 0.7119901783353505
Energy: 0.6103837925924281
Energy: 0.6108133124259433
Energy: 0.8297661768841089
Energy: 0.6108133124259433
Energy: 0.7218038145667837
Energy: 0.7120290613807955
Energy: 0.6058392642089002
Energy: 0.7120290613799576
Energy: 0.591634261910385
Energy: 0.6108403994492188
Energy: 0.7690491210646984
Energy: 0.6108403994500569
Energy: 0.6912529082979394
Energy: 0.655610570942787
Energy: 0.5976294750687815
Energy: 0.655610570942787
Energy: 0.5919000577055804
Energy: 0.6734300836817324
Energy: 0.667595725406126
Energy: 0.6734300836825703
Energy: 0.7602159950176898
Energy: 0.7091408916605435
Energy: 0.5990273209594574
Energy: 0.7091408916597057
Energy: 0.5902185554051154
Energy: 0.6503327633445138
Energy: 0.6307475414448506
Energy: 0.6503327633453518

minimum gb energy = 0.5899007821305853 eV
minimum distance =  2.49968137253928 Angstroms
sigma value = 17


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

Energy: 0.6033537346884132
Energy: 0.6037843108353472
Energy: 0.80961421109811
Energy: 0.6037843108358653
Energy: 0.6911411592686659
Energy: 0.645854197173658
Energy: 0.5945382857852122
Energy: 0.645854197173658
Energy: 0.5925788443175357
Energy: 0.5976248402644575
Energy: 0.6751244566358017
Energy: 0.5976248402649754
Energy: 0.8034059137558468
Energy: 0.6323587312645016
Energy: 0.5913691130564795
Energy: 0.6323587312650196
Energy: 0.5887322103865776
Energy: 0.6762706831120179
Energy: 0.7513399486066885
Energy: 0.6762706831120179
Energy: 0.7435642303357495
Energy: 0.6910164969853207
Energy: 0.5982517944590833
Energy: 0.6910164969848027
Energy: 0.6052632300232875
Energy: 0.665964018633729
Energy: 0.6352047043164023
Energy: 0.6659640186342469
Energy: 0.658751447329057
Energy: 0.6817074211451675
Energy: 0.591048977728337
Energy: 0.6817074211456854
Energy: 0.6045830870107555
Energy: 0.6818494753609428
Energy: 0.5984882932002625
Energy: 0.6818494753604248
Energy: 0.6066071820963514
Energy: 0.6959280535547134
Energy: 0.5923474656829562
Energy: 0.6959280535552314
Energy: 0.5912112176768894
Energy: 0.6826980392986235
Energy: 0.6518795579050876
Energy: 0.6826980392986235
Energy: 0.5931502512774619
Energy: 0.6191657916785344
Energy: 0.5957891227972573
Energy: 0.6191657916790523
Energy: 0.5865006739939159
Energy: 0.7204935943850681
Energy: 0.5871292098920948
Energy: 0.720493594385586
Energy: 0.6037396506482888
Energy: 0.6289724430365734
Energy: 0.604643187726563
Energy: 0.6289724430370913
Energy: 0.5958725396651796
Energy: 0.6855623853840044
Energy: 0.6089405653917227
Energy: 0.6855623853834864
Energy: 0.5913140406633406
Energy: 0.6654099420981527
Energy: 0.749562364738295
Energy: 0.6654099420976347
Energy: 0.7096397235961555
Energy: 0.6367532797032082
Energy: 0.5965615894364569
Energy: 0.6367532797037262
Energy: 0.5882796177495904
Energy: 0.6045401928256267
Energy: 0.7019206396539666
Energy: 0.6045401928251086
Energy: 0.6961103878467725
Energy: 0.7079702544377722
Energy: 0.593947551342524
Energy: 0.7079702544377722
Energy: 0.5951498227306761
Energy: 0.5967186502232829
Energy: 0.7282085983936428
Energy: 0.5967186502232829
Energy: 0.606295230674636
Energy: 0.6410160850515773
Energy: 0.5888187204584587
Energy: 0.6410160850515773
Energy: 0.5884733168568139
Energy: 0.6671869364858853
Energy: 0.607261772889704
Energy: 0.6671869364853675
Energy: 0.7436948456734258
Energy: 0.6401896548304765
Energy: 0.5963614048017167
Energy: 0.6401896548309944
Energy: 0.5910887831965046
Energy: 0.6658787679078374
Energy: 0.6906037273641331
Energy: 0.6658787679078374
Energy: 0.7004343343395559
Energy: 0.605531910160864
Energy: 0.5894296505753145
Energy: 0.605531910160864
Energy: 0.5869583146238608
Energy: 0.6298371678033493
Energy: 0.7084378533262486
Energy: 0.6298371678028314
Energy: 0.6819274338049891
Energy: 0.6920121126751525
Energy: 0.5920230143424648
Energy: 0.6920121126751525
Energy: 0.6119506212718836
Energy: 0.7098068015769038
Energy: 0.5954007502701936
Energy: 0.7098068015758678
Energy: 0.603635464636102
Energy: 0.6281884625603722
Energy: 0.6052583239296228
Energy: 0.6281884625608901
Energy: 0.6584907806905924
Energy: 0.7215944548957772
Energy: 0.7093158171914659
Energy: 0.7215944548952593
Energy: 0.5930466062237675
Energy: 0.6278865727239431
Energy: 0.5955874696460769
Energy: 0.6278865727234252
Energy: 0.7378970993177018
Energy: 0.6825762946813283
Energy: 0.5897872604843936
Energy: 0.6825762946818462
Energy: 0.5915306721347243
Energy: 0.6949310475135531
Energy: 0.6913343722709513
Energy: 0.6949310475135531
Energy: 0.6262297924877107
Energy: 0.6819717992713984
Energy: 0.6018947661355649
Energy: 0.6819717992724342
Energy: 0.5906316902337251
Energy: 0.6731479900753542
Energy: 0.6155077761046925
Energy: 0.6731479900758721
Energy: 0.7214317954948973
Energy: 0.6661396325540883
Energy: 0.604471661878725
Energy: 0.6661396325546062
Energy: 0.5964293904897707
Energy: 0.6918333662147763
Energy: 0.74422934408003
Energy: 0.6918333662152942
Energy: 0.7268854547669067
Energy: 0.676454802243656
Energy: 0.6085429638901683
Energy: 0.676454802243656

minimum gb energy = 0.5865006739939159 eV
minimum distance =  2.45394037275828 Angstroms
sigma value = 89


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

Energy: 0.5268319882183471
Energy: 0.5270330925661322
Energy: 0.7316801315249536
Energy: 0.5270330925661322
Energy: 0.6680678169244062
Energy: 0.5446937758325548
Energy: 0.5379040947556754
Energy: 0.5446937758325548
Energy: 0.5360358755945538
Energy: 0.6547816459519051
Energy: 0.778134123891117
Energy: 0.6547816459519051
Energy: 0.7770317715162725
Energy: 0.5446794846463343
Energy: 0.5377719474122105
Energy: 0.5446794846463343
Energy: 0.5358495934115285
Energy: 0.606317800690478
Energy: 0.6919200527657006
Energy: 0.606317800690478
Energy: 0.5284376695900933
Energy: 0.5275698597520475
Energy: 0.5296155166865367
Energy: 0.5275698597520475
Energy: 0.5360873311646683
Energy: 0.6052087660248616
Energy: 0.6708371820921806
Energy: 0.6052087660248616
Energy: 0.6632499488837388
Energy: 0.6547955651854825
Energy: 0.537917485734721
Energy: 0.6547955651854825
Energy: 0.5359158453514267
Energy: 0.6064110486801799
Energy: 0.6478789588933811
Energy: 0.6064110486801799
Energy: 0.676847132630842
Energy: 0.6064567430995678
Energy: 0.65376134179471
Energy: 0.6064567430995678
Energy: 0.5268686728764026
Energy: 0.6247955021620573
Energy: 0.5358696881490606
Energy: 0.6247955021620573
Energy: 0.5269418312027465
Energy: 0.6033929027697087
Energy: 0.5379034541075082
Energy: 0.6033929027710639
Energy: 0.6543479643912377
Energy: 0.6066704407787862
Energy: 0.5342400671221156
Energy: 0.6066704407787862
Energy: 0.6544401929896985
Energy: 0.5608186233579827
Energy: 0.6545222330344472
Energy: 0.5608186233579827
Energy: 0.5279355960339982
Energy: 0.6066633609660301
Energy: 0.6543453102746963
Energy: 0.6066633609660301

minimum gb energy = 0.5268319882183471 eV
minimum distance =  2.49855546611674 Angstroms
sigma value = 13


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

Energy: 0.5774825408313345
Energy: 0.6700079572320883
Energy: 0.8248555398541145
Energy: 0.6700079572326564
Energy: 0.6177679330299904
Energy: 0.6498945715288401
Energy: 0.5317188909309128
Energy: 0.6498945715305441
Energy: 0.5353564142860678
Energy: 0.6790302332588092
Energy: 0.6102213239915251
Energy: 0.6790302332593772
Energy: 0.6839776433651856
Energy: 0.6210760761281675
Energy: 0.5295386177129865
Energy: 0.6210760761275995
Energy: 0.5398119932901172
Energy: 0.6727924763859889
Energy: 0.5658034241254423
Energy: 0.6727924763865569
Energy: 0.5436262612383735
Energy: 0.6218481688884696
Energy: 0.5660850750261869
Energy: 0.6218481688884696
Energy: 0.5398339572193971
Energy: 0.6867159002214087
Energy: 0.7736795535887858
Energy: 0.6867159002197047
Energy: 0.5300562620599523
Energy: 0.6906594910676793
Energy: 0.5660897624805059
Energy: 0.6906594910671112
Energy: 0.5417745423786096
Energy: 0.6299538961739795
Energy: 0.7496199285404043
Energy: 0.6299538961734115
Energy: 0.6200538748673542
Energy: 0.6846163391848492
Energy: 0.5296965656575104
Energy: 0.6846163391854171
Energy: 0.5404898224847746
Energy: 0.6318776134303072
Energy: 0.6750681227731349
Energy: 0.6318776134297392
Energy: 0.7243464517130284
Energy: 0.6849353506753909
Energy: 0.5332388658976184
Energy: 0.6849353506748229
Energy: 0.5445641901933271
Energy: 0.6352661597966004
Energy: 0.5403090606072108
Energy: 0.6352661597966004
Energy: 0.6817984479661916
Energy: 0.6567691547897939
Energy: 0.5332183751777678
Energy: 0.6567691547897939
Energy: 0.5405909776296767
Energy: 0.6313507071269004
Energy: 0.5298916378330335
Energy: 0.6313507071269004
Energy: 0.5573192726648676
Energy: 0.6061015159025841
Energy: 0.5270015738039212
Energy: 0.6061015159020161
Energy: 0.5300263405524623
Energy: 0.6638614340141654
Energy: 0.5272522917011406
Energy: 0.6638614340141654
Energy: 0.5256649575665778
Energy: 0.6631347554190833
Energy: 0.5644902954814853
Energy: 0.6631347554179473
Energy: 0.5259701894588042
Energy: 0.6756445897325709
Energy: 0.5643783042519345
Energy: 0.6756445897342749
Energy: 0.5265244518615639
Energy: 0.6702380365514056
Energy: 0.5644346232000254
Energy: 0.6702380365519736
Energy: 0.5309271404579424
Energy: 0.6267980010961877
Energy: 0.5645004279424636
Energy: 0.6267980010967555
Energy: 0.5289858231516157
Energy: 0.6716453449101422
Energy: 0.5273080983571812
Energy: 0.6716453449118461
Energy: 0.5630430776821732
Energy: 0.6320986659312461
Energy: 0.5272484351777568
Energy: 0.6320986659318141
Energy: 0.5402838740081535
Energy: 0.6361022593316259
Energy: 0.6670712717950616
Energy: 0.6361022593321939
Energy: 0.7269894371519636
Energy: 0.668449721261039
Energy: 0.5332141153710863
Energy: 0.6684497212627429
Energy: 0.5847903789606722
Energy: 0.6751405531360218
Energy: 0.5313967240048468
Energy: 0.6751405531360218
Energy: 0.6852422284647335
Energy: 0.6844732265648464
Energy: 0.5340129344037913
Energy: 0.6844732265659824
Energy: 0.5402822744100708
Energy: 0.6057009548253134
Energy: 0.6294143919379314
Energy: 0.6057009548264494
Energy: 0.5675770374378395
Energy: 0.6902950005749344
Energy: 0.5279033703304166
Energy: 0.6902950005743664
Energy: 0.5399827668528994
Energy: 0.6687088981431321
Energy: 0.7574748134420155
Energy: 0.668708898141428
Energy: 0.5302324061908329
Energy: 0.6771426858576303
Energy: 0.5661340500999466
Energy: 0.6771426858559264
Energy: 0.5398819358154322
Energy: 0.6770233329462727
Energy: 0.7415564572041777
Energy: 0.6770233329468408
Energy: 0.668130356644219
Energy: 0.5964960273499181
Energy: 0.5660763677295461
Energy: 0.5964960273476462
Energy: 0.5383599102021499
Energy: 0.6797678249375164
Energy: 0.6602907891449803
Energy: 0.6797678249392204
Energy: 0.6729171973296343
Energy: 0.6492720960331451
Energy: 0.527729762866195
Energy: 0.649272096034849

minimum gb energy = 0.5256649575665778 eV
minimum distance =  2.30021544204371 Angstroms
sigma value = 37


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

Energy: 0.5717252785229852
Energy: 0.5632679460504753
Energy: 0.6508869500129982
Energy: 0.5632679460504753
Energy: 0.6174093421946275
Energy: 0.5932805823735817
Energy: 0.4901875038685787
Energy: 0.5932805823735817
Energy: 0.4994275945052661
Energy: 0.6838491734030699
Energy: 0.6614437699201146
Energy: 0.6838491734030699
Energy: 0.5450645095153418
Energy: 0.548947525037687
Energy: 0.49051217285046966
Energy: 0.548947525037687
Energy: 0.4897642753417062
Energy: 0.5933340311474216
Energy: 0.5417187539617905
Energy: 0.5933340311474216
Energy: 0.486479737565024
Energy: 0.6390637060023152
Energy: 0.5464267999107251
Energy: 0.6390637060023152
Energy: 0.496781730533019
Energy: 0.7022098036374061
Energy: 0.6178843378726743
Energy: 0.7022098036374061
Energy: 0.48065695522872115
Energy: 0.5002045329156806
Energy: 0.5022038029605748
Energy: 0.5002045329156806
Energy: 0.49048218536259636
Energy: 0.5934574019869369
Energy: 0.5950318392661376
Energy: 0.5934574019869369
Energy: 0.6617063979667959
Energy: 0.68382215943878
Energy: 0.5465194841639499
Energy: 0.68382215943878
Energy: 0.5018833461813237
Energy: 0.6801979831734781
Energy: 0.5445648517784726
Energy: 0.6801979831734781
Energy: 0.50047901498019
Energy: 0.5875278899919912
Energy: 0.4904897884893601
Energy: 0.5875278899919912
Energy: 0.544402282083388
Energy: 0.6388625991412406
Energy: 0.7446594897377194
Energy: 0.6388625991412406
Energy: 0.6664813323702719
Energy: 0.7119641949105576
Energy: 0.4804155311611462
Energy: 0.7119641949105576
Energy: 0.571614903056935
Energy: 0.5733324144714936
Energy: 0.48054941373477006
Energy: 0.5733324144714936
Energy: 0.5719209051311068
Energy: 0.5885603833454642
Energy: 0.48994157365046853
Energy: 0.5885603833454642
Energy: 0.5444194125559119
Energy: 0.6800851371677866
Energy: 0.4914576183259709
Energy: 0.6800851371687638
Energy: 0.5449031737371886
Energy: 0.693367206805032
Energy: 0.48936426534886873
Energy: 0.6933672068059872
Energy: 0.4893520824814878
Energy: 0.5876267426470978
Energy: 0.4897147270740843
Energy: 0.5876267426470978
Energy: 0.4894629464082375
Energy: 0.6542723104717981
Energy: 0.544568274979918
Energy: 0.654272310470821

minimum gb energy = 0.4804155311611462 eV
minimum distance =  2.41287776511937 Angstroms
sigma value = 25


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

Energy: 0.466776510252914
Energy: 0.588461984838754
Energy: 0.7988811615769716
Energy: 0.588461984838754
Energy: 0.5863434780638643
Energy: 0.5991039285531847
Energy: 0.44433439652326295
Energy: 0.5991039285531847
Energy: 0.4410455514404766
Energy: 0.44116771339028327
Energy: 0.7863896088682272
Energy: 0.44116771339028327
Energy: 0.48358898262019856
Energy: 0.6002661608545902
Energy: 0.44437626755424264
Energy: 0.6002661608545902
Energy: 0.4452946907259731
Energy: 0.6010006964068678
Energy: 0.4317789300958347
Energy: 0.6010006964068678
Energy: 0.6193942809922651
Energy: 0.6002229699852678
Energy: 0.4461264530439016
Energy: 0.6002229699852678
Energy: 0.4455723951844718
Energy: 0.5186888930483683
Energy: 0.4855382254966853
Energy: 0.5186888930476053
Energy: 0.6306097022581617
Energy: 0.5420942835159995
Energy: 0.44219178760867006
Energy: 0.5420942835159995
Energy: 0.44531151793498497
Energy: 0.5991445577288488
Energy: 0.5890111004178689
Energy: 0.5991445577288488
Energy: 0.4300529022684287
Energy: 0.5886494796994064
Energy: 0.4676662314459776
Energy: 0.5886494796994064
Energy: 0.4456335218634266
Energy: 0.5180133969371793
Energy: 0.5863113777560824
Energy: 0.5180133969364163
Energy: 0.7523469139301993
Energy: 0.6474905639409412
Energy: 0.44213205462241834
Energy: 0.6474905639409412
Energy: 0.4452293304943254
Energy: 0.5989834341590002
Energy: 0.5332934394622235
Energy: 0.5989834341590002
Energy: 0.7460858757738398
Energy: 0.6265563027266885
Energy: 0.44612164428137246
Energy: 0.6265563027266885
Energy: 0.44561318108139947
Energy: 0.5179657666120933
Energy: 0.43078707770806285
Energy: 0.5179657666120933
Energy: 0.556520913694144
Energy: 0.6486338831066553
Energy: 0.44498877982760593
Energy: 0.6486338831058922
Energy: 0.4453747623143637
Energy: 0.5414535107248748
Energy: 0.44300162606186705
Energy: 0.5414535107248748
Energy: 0.5464059610124978
Energy: 0.5992264206320858
Energy: 0.44621941652960273
Energy: 0.5992264206320858
Energy: 0.4706268968312489
Energy: 0.5891349479713452
Energy: 0.4326181447445326
Energy: 0.5891349479713452
Energy: 0.6239471703931245
Energy: 0.6209488384479134
Energy: 0.44484218456936914
Energy: 0.6209488384479134
Energy: 0.44532452880760715
Energy: 0.6472916628924824
Energy: 0.43435728836195675
Energy: 0.6472916628924824
Energy: 0.4416332702554099
Energy: 0.5993255310932021
Energy: 0.44443008534047984
Energy: 0.5993255310932021
Energy: 0.4458419047720476
Energy: 0.6263702179272038
Energy: 0.5726946533843315
Energy: 0.6263702179272038
Energy: 0.4295669550367329
Energy: 0.6205873869513493
Energy: 0.4449354607531746
Energy: 0.6205873869513493
Energy: 0.44499363760031757
Energy: 0.6483221432640675
Energy: 0.5316480252119032
Energy: 0.6483221432648306
Energy: 0.4324711638506765
Energy: 0.541155727262341
Energy: 0.4411684577556296
Energy: 0.541155727262341

minimum gb energy = 0.4295669550367329 eV
minimum distance =  2.32611789431874 Angstroms
sigma value = 41


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

Energy: 0.5660485436579831
Energy: 0.5341139715233328
Energy: 0.7786254145513811
Energy: 0.5341139715227073
Energy: 0.6008023897010927
Energy: 0.5296420351527344
Energy: 0.4002532854658098
Energy: 0.5296420351527344
Energy: 0.4113770976908425
Energy: 0.5222522379287713
Energy: 0.7464406467662165
Energy: 0.5222522379287713
Energy: 0.6023048409048997
Energy: 0.5292254287602276
Energy: 0.4002564850616168
Energy: 0.5292254287602276
Energy: 0.39720362217527
Energy: 0.5458208123613014
Energy: 0.41736801393963985
Energy: 0.5458208123613014
Energy: 0.43361999679834146
Energy: 0.5299165151469046
Energy: 0.4002334007338906
Energy: 0.5299165151469046
Energy: 0.3996587899253046
Energy: 0.5306356308140141
Energy: 0.43568984374792763
Energy: 0.5306356308146397
Energy: 0.5942352524701526
Energy: 0.4751505532887727
Energy: 0.39789290920872855
Energy: 0.4751505532887727
Energy: 0.4020498955856754
Energy: 0.5914399309715151
Energy: 0.6019456365994296
Energy: 0.5914399309715151
Energy: 0.6036309745286523
Energy: 0.5223072721555679
Energy: 0.4121002514403301
Energy: 0.5223072721561935
Energy: 0.3996554747573559
Energy: 0.5296958748335401
Energy: 0.6007803152868403
Energy: 0.5296958748335401
Energy: 0.3911435051758372
Energy: 0.5342199778413613
Energy: 0.5667091507673836
Energy: 0.5342199778407358
Energy: 0.40211005354716234
Energy: 0.573404319417271
Energy: 0.6403096689780181
Energy: 0.573404319417271
Energy: 0.745399034944963
Energy: 0.6717672838106314
Energy: 0.41197324638581956
Energy: 0.6717672838112568
Energy: 0.3997246695463852
Energy: 0.5281172466077563
Energy: 0.6007149186208638
Energy: 0.5281172466077563
Energy: 0.7030829801706736
Energy: 0.5746358223182101
Energy: 0.39788914102397427
Energy: 0.5746358223188358
Energy: 0.40200393032070253
Energy: 0.5732656881850978
Energy: 0.43381154768098973
Energy: 0.5732656881850978
Energy: 0.492558883232969
Energy: 0.6244679399221195
Energy: 0.40028437524390575
Energy: 0.6244679399221195
Energy: 0.3996389621974942
Energy: 0.47444729581407785
Energy: 0.3928469588796884
Energy: 0.47444729581407785
Energy: 0.5006437099750554
Energy: 0.5733041113200307
Energy: 0.40459028468493907
Energy: 0.5733041113906954
Energy: 0.41387639102726226
Energy: 0.5739252173855972
Energy: 0.6140335669483398
Energy: 0.5739252173855972
Energy: 0.6409470709550857
Energy: 0.6364060804807583
Energy: 0.40025707932833016
Energy: 0.6364060804807583
Energy: 0.5684685460567285
Energy: 0.5340791123954661
Energy: 0.39179678006651625
Energy: 0.534079112394869
Energy: 0.556658732534854
Energy: 0.5809576313806617
Energy: 0.402811856134511
Energy: 0.5809576313806617
Energy: 0.41382694786134055
Energy: 0.6239209518375982
Energy: 0.3936384491114818
Energy: 0.6239209518375982
Energy: 0.5472652053819672
Energy: 0.6205279620477915
Energy: 0.40033391411156954
Energy: 0.6205279620477915
Energy: 0.3996681844024378
Energy: 0.5755445419772105
Energy: 0.5092446479865239
Energy: 0.5755445419772105
Energy: 0.3978197793066457
Energy: 0.5809249590905362
Energy: 0.40458385360604315
Energy: 0.5809249590911617
Energy: 0.40201966568655906
Energy: 0.6266523324365505
Energy: 0.498691129787659
Energy: 0.6266523324365505
Energy: 0.3919723173206787
Energy: 0.5993748139091143
Energy: 0.40249102491038014
Energy: 0.5993748139091143
Energy: 0.4023942211475741
Energy: 0.5730441355072959
Energy: 0.4797981816864931
Energy: 0.5730441355072959
Energy: 0.3936300858668361
Energy: 0.5798497267603988
Energy: 0.4166375770315087
Energy: 0.5798497267597731

minimum gb energy = 0.3911435051758372 eV
minimum distance =  2.32456134647122 Angstroms
sigma value = 15


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

Energy: 0.5651524383507278
Energy: 0.5935019155697632
Energy: 0.7589306009684477
Energy: 0.5935019155681732
Energy: 0.6285442695374833
Energy: 0.5321138004229289
Energy: 0.3745758924268649
Energy: 0.5321138004229289
Energy: 0.42197561188659116
Energy: 0.5144492284848007
Energy: 0.5107261694594549
Energy: 0.5144492284842708
Energy: 0.6586458806510261
Energy: 0.5148906233000683
Energy: 0.37448612976755025
Energy: 0.5148906232995382
Energy: 0.4081204006100201
Energy: 0.5993110357490212
Energy: 0.38568155365100937
Energy: 0.5993110357495512
Energy: 0.5016626297114787
Energy: 0.5157490789047099
Energy: 0.3748657567292689
Energy: 0.5157490789052398
Energy: 0.3775635841097685
Energy: 0.48793935760903345
Energy: 0.4307185769503021
Energy: 0.4879393576085035
Energy: 0.43098102514976216
Energy: 0.4896299361469106
Energy: 0.3784145134784817
Energy: 0.48962993614638056
Energy: 0.3756672278074911
Energy: 0.5786751469225178
Energy: 0.5024993580077637
Energy: 0.5786751469214577
Energy: 0.6052248307801114
Energy: 0.5453021417576576
Energy: 0.408550278786314
Energy: 0.5453021417581875
Energy: 0.37412291782406226
Energy: 0.5320676823314148
Energy: 0.6787551147819971
Energy: 0.5320676823319448
Energy: 0.5675137653325922
Energy: 0.515026915422418
Energy: 0.42219156450350465
Energy: 0.5150269154218878
Energy: 0.3757263140684885
Energy: 0.5705008713332488
Energy: 0.7038394270491352
Energy: 0.5705008713327189
Energy: 0.3634103555874979
Energy: 0.565894041520036
Energy: 0.5151761704968946
Energy: 0.565894041518976
Energy: 0.37417902975135736
Energy: 0.5166724097005508
Energy: 0.6297490258624363
Energy: 0.5166724097005508
Energy: 0.5097314868414005
Energy: 0.5151508942148447
Energy: 0.4224163498482508
Energy: 0.5151508942164348
Energy: 0.3756882969481444
Energy: 0.5537436470133059
Energy: 0.6009042534118906
Energy: 0.553743647014896
Energy: 0.4627918598687263
Energy: 0.5990223457408571
Energy: 0.40854448860094006
Energy: 0.5990223457397972
Energy: 0.3752512415156366
Energy: 0.5169005180155795
Energy: 0.5308559173119086
Energy: 0.5169005180155795
Energy: 0.4316106337375431
Energy: 0.518194461630901
Energy: 0.3784347686057341
Energy: 0.518194461630901
Energy: 0.37979919619040226
Energy: 0.5278200501322307
Energy: 0.45881074480465595
Energy: 0.5278200501311707
Energy: 0.493013995324238
Energy: 0.5697952512766685
Energy: 0.3774838051817442
Energy: 0.5697952512766685
Energy: 0.4097818700081274
Energy: 0.5392363497814153
Energy: 0.6054027680306546
Energy: 0.5392363497824753
Energy: 0.612250053152895
Energy: 0.5175676428962744
Energy: 0.37458426398929395
Energy: 0.5175676428946846
Energy: 0.4234240045627059
Energy: 0.5572185620650532
Energy: 0.572894243329986
Energy: 0.5572185620639931
Energy: 0.6240007090030517
Energy: 0.5672813393595598
Energy: 0.3774253426667136
Energy: 0.5672813393590297
Energy: 0.5667943708264165
Energy: 0.5814207962472658
Energy: 0.3611854176377406
Energy: 0.581420796246736
Energy: 0.7388643580758061
Energy: 0.5154014798300571
Energy: 0.374557963678795
Energy: 0.5154014798300571
Energy: 0.42342530554779156
Energy: 0.5817437297898534
Energy: 0.36650786799926255
Energy: 0.5817437297903835
Energy: 0.6404917990773766
Energy: 0.5503862912382093
Energy: 0.3775485705493017
Energy: 0.5503862912397991
Energy: 0.4097852103459578
Energy: 0.5697090618164143
Energy: 0.46247673996637645
Energy: 0.5697090618153543
Energy: 0.536637037401412
Energy: 0.5157277981656374
Energy: 0.3763957091876551
Energy: 0.5157277981661675
Energy: 0.3799824956522929
Energy: 0.5818251505494989
Energy: 0.4921780399418927
Energy: 0.581825150550029
Energy: 0.40008415965375316
Energy: 0.5354278024556148
Energy: 0.3820427802830699
Energy: 0.5354278024561447
Energy: 0.3700119954689492
Energy: 0.5694047946104455
Energy: 0.4894854984415491
Energy: 0.5694047946104455
Energy: 0.39715491583493256
Energy: 0.529771506665182
Energy: 0.41147475761343083
Energy: 0.529771506664652
Energy: 0.37553743575316234
Energy: 0.5817684859264267
Energy: 0.6137561833526924
Energy: 0.5817684859258968

minimum gb energy = 0.3611854176377406 eV
minimum distance =  2.34902483938161 Angstroms
sigma value = 85


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

Energy: 0.48416684861687187
Energy: 0.5287636463540584
Energy: 0.5351090826182606
Energy: 0.5287636463540584
Energy: 0.7771131862700763
Energy: 0.4798468069544372
Energy: 0.3429311479561201
Energy: 0.4798468069544372
Energy: 0.46494794267014783
Energy: 0.445469495425801
Energy: 0.6610560471061263
Energy: 0.445469495425801
Energy: 0.6300573675850276
Energy: 0.4794112069021811
Energy: 0.34291580394947846
Energy: 0.47941120690264083
Energy: 0.3579769863715108
Energy: 0.43067485969930924
Energy: 0.5366193566632853
Energy: 0.4306748596997688
Energy: 0.5060858564368674
Energy: 0.48851669746256454
Energy: 0.3429618990105851
Energy: 0.48851669746302423
Energy: 0.340925288866444
Energy: 0.45584039274827653
Energy: 0.38630983273403285
Energy: 0.45584039274827653
Energy: 0.44619360667549546
Energy: 0.4796303926417139
Energy: 0.34291467899672307
Energy: 0.4796303926417139
Energy: 0.34248708797748517
Energy: 0.4380768574108576
Energy: 0.4467925247184257
Energy: 0.4380768574108576
Energy: 0.38625018334890265
Energy: 0.4553823965630086
Energy: 0.34133145628543815
Energy: 0.4553823965634682
Energy: 0.3440839469628153
Energy: 0.48859406208876366
Energy: 0.5062416380071982
Energy: 0.48859406208876366
Energy: 0.5389003033384987
Energy: 0.4794359484433956
Energy: 0.3584856108795582
Energy: 0.47943594844431486
Energy: 0.3425203941577937
Energy: 0.43783868446932167
Energy: 0.6298588821711978
Energy: 0.43783868446978136
Energy: 0.3267086333532719
Energy: 0.44546453827916405
Energy: 0.4652432020126455
Energy: 0.44546453827916405
Energy: 0.34396612096342954
Energy: 0.4793971783528923
Energy: 0.5890708680667588
Energy: 0.4793971783528923
Energy: 0.3246474817628121
Energy: 0.5212074365070667
Energy: 0.48454932367459047
Energy: 0.5212074365075262
Energy: 0.34247449013010933
Energy: 0.4379743060692288
Energy: 0.5889967591370229
Energy: 0.4379743060687692
Energy: 0.6613920086516036
Energy: 0.44550129219692663
Energy: 0.4652602028956491
Energy: 0.44550129219692663
Energy: 0.34389364319865934
Energy: 0.47918318853652236
Energy: 0.6300170805054378
Energy: 0.47918318853652236
Energy: 0.623957893793072
Energy: 0.5455002169961034
Energy: 0.3584264452701902
Energy: 0.5455002169961034
Energy: 0.34247717789270377
Energy: 0.43784695084911285
Energy: 0.5061448659061732
Energy: 0.4378469508495725
Energy: 0.3873743723970257
Energy: 0.47524090787881085
Energy: 0.3412650543532445
Energy: 0.47524090787881085
Energy: 0.3437409532156712
Energy: 0.4792614013429689
Energy: 0.4465121950246187
Energy: 0.4792614013425092
Energy: 0.4129530699345278
Energy: 0.5310496699550186
Energy: 0.3428649801067601
Energy: 0.5310496699550186
Energy: 0.34244708449086453
Energy: 0.4028673585710279
Energy: 0.3870415872779239
Energy: 0.4028673585710279
Energy: 0.5392684683909033
Energy: 0.4800082485167582
Energy: 0.34357955329500695
Energy: 0.4800082485167582
Energy: 0.3596450944807162
Energy: 0.47969899126111676
Energy: 0.32459180285356093
Energy: 0.47969899126111676
Energy: 0.507622030629155
Energy: 0.5298334937695918
Energy: 0.34295100150795127
Energy: 0.5298334937695918
Energy: 0.4665188086532608
Energy: 0.4454153450169903
Energy: 0.3265359525109709
Energy: 0.44541534501744995
Energy: 0.5894044672744572
Energy: 0.47520332265250337
Energy: 0.34371428130880877
Energy: 0.47520332265204374
Energy: 0.4856156353624597
Energy: 0.5208495562061275
Energy: 0.3246405425911208
Energy: 0.5208495562061275
Energy: 0.5742819896686925
Energy: 0.5298485022624857
Energy: 0.3429208387260128
Energy: 0.5298485022624857
Energy: 0.46642426642139045
Energy: 0.4454134439390272
Energy: 0.5370521538533848
Energy: 0.4454134439390272
Energy: 0.6705748176486918
Energy: 0.47511579000205517
Energy: 0.34348965696569494
Energy: 0.47511579000205517
Energy: 0.3596444069986899
Energy: 0.5325096846935823
Energy: 0.6244121127352557
Energy: 0.5325096846931225
Energy: 0.4446032721990129
Energy: 0.5208934446628127
Energy: 0.34290473109513875
Energy: 0.5208934446628127
Energy: 0.3425706199620392
Energy: 0.47497373554374783
Energy: 0.40906470654352506
Energy: 0.47497373554374783
Energy: 0.43659624684481796
Energy: 0.47525445843673203
Energy: 0.3435529284370129
Energy: 0.47525445843673203
Energy: 0.3440224050150505
Energy: 0.5320145888302958
Energy: 0.4111682462060428
Energy: 0.5320145888307554
Energy: 0.33127331450420355
Energy: 0.49909354317242305
Energy: 0.3442585725123153
Energy: 0.4990935431719634
Energy: 0.3426356031654317
Energy: 0.47492296701987907
Energy: 0.5157693639978045
Energy: 0.47492296701941944
Energy: 0.3257915426913849
Energy: 0.4791998793984655
Energy: 0.3614930287953049
Energy: 0.4791998793984655
Energy: 0.34397485294382396
Energy: 0.5319104322427747
Energy: 0.5070868289799756
Energy: 0.5319104322427747

minimum gb energy = 0.32459180285356093 eV
minimum distance =  2.35047674365683 Angstroms
sigma value = 113


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

Energy: 0.011682727481396774
Energy: 0.012402770162958706
Energy: 0.6191003947009313
Energy: 0.012402770162958706
Energy: 0.5040866039730879
Energy: 0.17462389578858314
Energy: 0.174056511726176
Energy: 0.17462389578858314
Energy: 0.011682727481396774
Energy: 0.012402770162958706
Energy: 0.8520110116802111
Energy: 0.012402770162958706
Energy: 0.5040866039730879
Energy: 0.1746238957882298
Energy: 0.17421379023525285
Energy: 0.17462389578858314
Energy: 0.011682727481396774
Energy: 0.012402770162958706
Energy: 1.1403054236547856
Energy: 0.012402770162605353
Energy: 0.5040866039727541
Energy: 0.17462389578858314
Energy: 0.17421643926754143
Energy: 0.17462389578858314

minimum gb energy = 0.011682727481396774 eV
minimum distance =  2.83788990012897 Angstroms
sigma value = 1