Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
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=4.051526293158533
cohesive_energy=3.3624417440272794
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: -9.23201098901316e-12 eV

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

Energy: 0.010363461540957032
Energy: 0.010648193318122567
Energy: 0.011163835634706572
Energy: 0.010648193318122567
Energy: 0.010648193318122567
Energy: 0.582529735078368
Energy: 0.010648193318122567
Energy: 0.582529735078368
Energy: 0.011163835634706572
Energy: 0.010648193318122567
Energy: 0.010363461540957032
Energy: 0.010648193318122567
Energy: 0.010648193318122567
Energy: 0.582529735078368
Energy: 0.010648193318122567
Energy: 0.582529735078368

minimum gb energy = 0.010363461540957032 eV
minimum distance =  2.82868695017655 Angstroms
sigma value = 1


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

Energy: 0.8094874810614944
Energy: 0.8592797812384797
Energy: 0.784510000321899
Energy: 0.8592797812396908
Energy: 0.805533837821951
Energy: 0.8357102069302591
Energy: 0.7811866086894877
Energy: 0.8357102069302591
Energy: 0.758356305935017
Energy: 0.8496111550688262
Energy: 0.7781299746896524
Energy: 0.8496111550688262
Energy: 0.7753301265283116
Energy: 0.8501644984801376
Energy: 0.7639682762376337
Energy: 0.850164498479532
Energy: 0.7770946397716477
Energy: 0.8610254235339323
Energy: 0.7901179209540431
Energy: 0.8610254235339323
Energy: 0.7550320974884953
Energy: 0.8373474135782276
Energy: 0.7397727850224436
Energy: 0.8373474135782276
Energy: 0.7790314650726924
Energy: 0.8536370050211177
Energy: 0.7567675197161459
Energy: 0.8536370050199066
Energy: 0.7232625767507272
Energy: 0.8608900057688924
Energy: 0.7428344321375444
Energy: 0.8608900057682868
Energy: 0.7651391907670815
Energy: 0.7814239396962911
Energy: 0.7782384474564609
Energy: 0.7814239396975022
Energy: 0.7375739691816287
Energy: 0.8491621824131075
Energy: 0.7234559384069823
Energy: 0.8491621824131075
Energy: 0.7797610768981297
Energy: 0.8408473716622692
Energy: 0.7652522613754159
Energy: 0.8408473716616637
Energy: 0.7921731385859755
Energy: 0.8604582646485518
Energy: 0.7433102489232287
Energy: 0.8604582646485518
Energy: 0.7786332826907887
Energy: 0.8316673186801868
Energy: 0.8079459816748851
Energy: 0.8316673186795812
Energy: 0.7819072063474657
Energy: 0.842998149682201
Energy: 0.7571054277436856
Energy: 0.8429981496815954
Energy: 0.7756270681961539
Energy: 0.8600059338789209
Energy: 0.7778166503357287
Energy: 0.8600059338789209
Energy: 0.7986982592727805
Energy: 0.8609173011193858
Energy: 0.7780184143517861
Energy: 0.8609173011187801
Energy: 0.7900745226893255
Energy: 0.8498439435149411
Energy: 0.7492087993277612
Energy: 0.8498439435155467
Energy: 0.7808797584619445
Energy: 0.8317327964292068
Energy: 0.8066516171554563
Energy: 0.831732796430418
Energy: 0.7369420071153352
Energy: 0.8601325566443394
Energy: 0.7427402917262105
Energy: 0.8601325566443394
Energy: 0.78171606184415
Energy: 0.7810338815172814
Energy: 0.7674767283219245
Energy: 0.781033881517887
Energy: 0.7375777015910684
Energy: 0.8497964111062383
Energy: 0.7269501080367761
Energy: 0.8497964111062383
Energy: 0.7640739604460848
Energy: 0.7836528850813095
Energy: 0.7995862723529974
Energy: 0.783652885081915
Energy: 0.7904099104041584
Energy: 0.8606923029708196
Energy: 0.7499821976099094
Energy: 0.8606923029708196
Energy: 0.7815709215917241
Energy: 0.8510767826734602
Energy: 0.755138379997203
Energy: 0.8510767826728545
Energy: 0.7566810177599532
Energy: 0.8370107450621603
Energy: 0.808019391765382
Energy: 0.8370107450627661
Energy: 0.7791600562673198
Energy: 0.8609439278008718
Energy: 0.7492443409669648
Energy: 0.8609439278008718
Energy: 0.7811815482931181
Energy: 0.843852261615022
Energy: 0.7649427145965102
Energy: 0.8438522616162333
Energy: 0.7541217465335102
Energy: 0.849247019740217
Energy: 0.7962897539189152
Energy: 0.849247019740217
Energy: 0.7787801892913652
Energy: 0.8333231102563162
Energy: 0.7796103412016812
Energy: 0.8333231102563162
Energy: 0.8082908578340535
Energy: 0.859960994006466
Energy: 0.794603450940091
Energy: 0.8599609940058603
Energy: 0.8078032997041514
Energy: 0.8610589543303518
Energy: 0.7787319196347319
Energy: 0.861058954331563
Energy: 0.7631385981660481
Energy: 0.8491735293911281
Energy: 0.782087447876723
Energy: 0.8491735293905226
Energy: 0.7767350695623062
Energy: 0.8510206307281385
Energy: 0.7647587080944679
Energy: 0.8510206307287441

minimum gb energy = 0.7232625767507272 eV
minimum distance =  2.60240376259457 Angstroms
sigma value = 1


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

Energy: 0.8536922426336638
Energy: 0.8520547183563978
Energy: 0.8190230634326068
Energy: 0.8520547183543263
Energy: 0.8234686760948206
Energy: 0.8705232596985898
Energy: 0.8054317817293105
Energy: 0.8705232596985898
Energy: 0.7815638867409466
Energy: 0.8341000812789849
Energy: 0.7978633022737157
Energy: 0.8341000812741517
Energy: 0.7695879327286674
Energy: 0.794398991461862
Energy: 0.7767868834229081
Energy: 0.7943989914563381
Energy: 0.7696409411182885
Energy: 0.8227713330007909
Energy: 0.8216022768940494
Energy: 0.8227713330007909
Energy: 0.8254090495814147
Energy: 0.8462858960213618
Energy: 0.7935194467757402
Energy: 0.8462858960220523
Energy: 0.8228152162370274
Energy: 0.7897694912224131
Energy: 0.7894238421087967
Energy: 0.7897694912210321
Energy: 0.7471544328946693
Energy: 0.8333318744678707
Energy: 0.7583377218329994
Energy: 0.8333318744685612
Energy: 0.778745679959032
Energy: 0.8143311065950694
Energy: 0.8054507159722479
Energy: 0.8143311065964504
Energy: 0.7694984268733174
Energy: 0.8265786486168006
Energy: 0.8200353834174308
Energy: 0.8265786486133482
Energy: 0.8218963103310689
Energy: 0.8060983869393674
Energy: 0.7972119375120413
Energy: 0.8060983869421294
Energy: 0.7618027110658028
Energy: 0.8857971993604158
Energy: 0.7979003788939643
Energy: 0.8857971993617968
Energy: 0.814567669141779
Energy: 0.8222022742501393
Energy: 0.7910724572072864
Energy: 0.8222022742494487
Energy: 0.8145469913658901
Energy: 0.8221813971049039
Energy: 0.8210313374817321
Energy: 0.822181397103523
Energy: 0.7619365444552231
Energy: 0.8859450680180616
Energy: 0.7978011901854667
Energy: 0.8859450680152997
Energy: 0.8218170359052076
Energy: 0.8062857567916961
Energy: 0.7897628185134171
Energy: 0.8062857567896248
Energy: 0.769492213827527
Energy: 0.826617115536528
Energy: 0.7879107983292986
Energy: 0.8266171155372185
Energy: 0.7787506942059983
Energy: 0.8143217905131253
Energy: 0.8056000913266405
Energy: 0.8143217905103634
Energy: 0.7471552300200984
Energy: 0.8333673486931298
Energy: 0.7585930606382306
Energy: 0.8333673486938201
Energy: 0.822782560075481
Energy: 0.7897573068734394
Energy: 0.7825542961512937
Energy: 0.7897573068741298
Energy: 0.8253677717509204
Energy: 0.8482684454412591
Energy: 0.769072317400563
Energy: 0.8482684454405687
Energy: 0.7694883005981485
Energy: 0.8224923789240254
Energy: 0.7884826535583425
Energy: 0.822492378904692
Energy: 0.7694969282591865
Energy: 0.7940753849271562
Energy: 0.7895860909466501
Energy: 0.7940753849230133
Energy: 0.7814606879971387
Energy: 0.833826322759468
Energy: 0.7976777122091825
Energy: 0.833826322760849
Energy: 0.8234039500268108
Energy: 0.8707565790498782
Energy: 0.8053630316009057
Energy: 0.8707565790498782
Energy: 0.8536922426343543
Energy: 0.8520547183563978
Energy: 0.8952938354103743
Energy: 0.8520547183557073
Energy: 0.8234686760948206
Energy: 0.8705232596985898
Energy: 0.8054317817293105
Energy: 0.8705232596985898
Energy: 0.781563886743018
Energy: 0.8341000812782946
Energy: 0.7978633022737157
Energy: 0.8341000812741517
Energy: 0.769587932729358
Energy: 0.7943989914611715
Energy: 0.7784387387768756
Energy: 0.7943989914563381

minimum gb energy = 0.7471544328946693 eV
minimum distance =  2.61561796951572 Angstroms
sigma value = 25


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

Energy: 0.8595429262238632
Energy: 0.8556837969972341
Energy: 0.9134264938659034
Energy: 0.8556837969964314
Energy: 0.8427569837353901
Energy: 0.888727758357857
Energy: 0.8308070201863939
Energy: 0.8887277583570543
Energy: 0.8007546502846895
Energy: 0.951101409434774
Energy: 0.8307229951291474
Energy: 0.951101409434774
Energy: 0.8304778872706763
Energy: 0.8249714795817022
Energy: 0.7983204757598765
Energy: 0.8249714795808997
Energy: 0.8217631579229239
Energy: 0.8639885909024203
Energy: 0.7877257113720137
Energy: 0.863988590903223
Energy: 0.8703988836235259
Energy: 0.8865842359751512
Energy: 0.8409281402422745
Energy: 0.8865842359751512
Energy: 0.80655051954711
Energy: 0.8345666990239077
Energy: 0.8147208697617971
Energy: 0.8345666990247104
Energy: 0.8954532294140702
Energy: 0.9343804804455953
Energy: 0.7874025942992655
Energy: 0.9343804804455953
Energy: 0.8150169838700269
Energy: 0.9018169169385625
Energy: 0.8066437655414017
Energy: 0.9018169169393652
Energy: 0.8358331232115398
Energy: 0.8851249828005208
Energy: 0.8328586901644
Energy: 0.8851249828021261
Energy: 0.813818814026619
Energy: 0.807377898406647
Energy: 0.8074542760903269
Energy: 0.8073778984050417
Energy: 0.799008733012605
Energy: 0.9313973608353202
Energy: 0.8074857882181667
Energy: 0.9313973608361229
Energy: 0.8307357216412289
Energy: 0.8357999999443742
Energy: 0.8060197169844237
Energy: 0.8357999999475848
Energy: 0.837927680519412
Energy: 0.8769721116121146
Energy: 0.8089698573726107
Energy: 0.87697211161372
Energy: 0.7991881402787251
Energy: 0.9323657460383548
Energy: 0.7877640736394009
Energy: 0.9323657460391575
Energy: 0.806662693199234
Energy: 0.8235291643256235
Energy: 0.8323869579667221
Energy: 0.8235291643264261
Energy: 0.7820551710017606
Energy: 0.9513445093990538
Energy: 0.7815947986702237
Energy: 0.9513445094006592
Energy: 0.7981767153488759
Energy: 0.808578555894004
Energy: 0.8125529436057405
Energy: 0.8085785558956092
Energy: 0.7996551115520661
Energy: 0.8545270456052223
Energy: 0.7989312718543168
Energy: 0.8545270456044196
Energy: 0.8075806424743469
Energy: 0.951594716446542
Energy: 0.8287052486199538
Energy: 0.9515947164457393
Energy: 0.8191014106915003
Energy: 0.8991050938269591
Energy: 0.8285915953927132
Energy: 0.8991050938269591
Energy: 0.8532104275674426
Energy: 0.8546361436732882
Energy: 0.9064414601431109
Energy: 0.8546361436724855
Energy: 0.8048453937178855
Energy: 0.8936284440579398
Energy: 0.82961553645456
Energy: 0.8936284440571372
Energy: 0.7997480937664825
Energy: 0.9495719515610977
Energy: 0.8361937744496695
Energy: 0.9495719515610977
Energy: 0.8070363040225972
Energy: 0.9040764544844779
Energy: 0.7978452460831095
Energy: 0.9040764544844779

minimum gb energy = 0.7815947986702237 eV
minimum distance =  2.62451104167376 Angstroms
sigma value = 9


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

Energy: 0.8578148026777761
Energy: 0.8568872896832604
Energy: 0.8912325198655208
Energy: 0.8568872896832604
Energy: 0.8297292994561173
Energy: 0.9178632851016248
Energy: 0.84843323078835
Energy: 0.9178632851016248
Energy: 0.7977372985772934
Energy: 0.8472053304258851
Energy: 0.8196485292020776
Energy: 0.8472053304249275
Energy: 0.8429595356012924
Energy: 0.927245507976031
Energy: 0.8014373313043661
Energy: 0.9272455079750734
Energy: 0.9131408504353097
Energy: 0.9183487615236494
Energy: 0.82063653342087
Energy: 0.918348761522692
Energy: 0.7884398177555892
Energy: 0.8469526174986804
Energy: 0.8053838959283204
Energy: 0.846952617497723
Energy: 0.8400619791532332
Energy: 0.9066669469908801
Energy: 0.8016855682520007
Energy: 0.9066669469908801
Energy: 0.8908504298326949
Energy: 0.8468241367765349
Energy: 0.795561241903843
Energy: 0.8468241367774925
Energy: 0.8404447928886295
Energy: 0.9182089385425526
Energy: 0.9100699890742309
Energy: 0.9182089385425526
Energy: 0.848853377365219
Energy: 0.8501062814204767
Energy: 0.8054374721109232
Energy: 0.8501062814204767
Energy: 0.8128517461655572
Energy: 0.9195796770497731
Energy: 0.8194166855951893
Energy: 0.9195796770497731
Energy: 0.8435696949353585
Energy: 0.8993295156477595
Energy: 0.8015521269542697
Energy: 0.8993295156429718
Energy: 0.7882380653456939
Energy: 0.8572758977661307
Energy: 0.7884877586654961
Energy: 0.8572758977680457
Energy: 0.8401257305702775
Energy: 0.8473537225031668
Energy: 0.8479116063754767
Energy: 0.8473537225041243
Energy: 0.7882421719650666
Energy: 0.8573613110329666
Energy: 0.8907966648965838
Energy: 0.8573613110329666
Energy: 0.8434957621317518
Energy: 0.8992067606576437
Energy: 0.8014961692513597
Energy: 0.8992067606566861
Energy: 0.8128255698836846
Energy: 0.9198135634650395
Energy: 0.8196015668417247
Energy: 0.9198135634640818
Energy: 0.848834234387206
Energy: 0.8500349984506201
Energy: 0.8054456572999282
Energy: 0.8500349984506201
Energy: 0.8404310618018872
Energy: 0.9182642454787331
Energy: 0.8205234605519073
Energy: 0.9182642454787331
Energy: 0.8908213351232269
Energy: 0.8468280797145851
Energy: 0.7955608052126129
Energy: 0.8468280797165003
Energy: 0.8400863884504971
Energy: 0.9065809256009129
Energy: 0.8018842561770112
Energy: 0.906580925602828

minimum gb energy = 0.7882380653456939 eV
minimum distance =  2.66249012066549 Angstroms
sigma value = 25


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

Energy: 0.8104640925971619
Energy: 0.9794686631609677
Energy: 0.920839281173649
Energy: 0.9794686631609677
Energy: 0.7974902213199304
Energy: 0.8650483175876464
Energy: 0.7956280371495247
Energy: 0.8650483175876464
Energy: 0.7966644330880694
Energy: 0.8734484744681236
Energy: 0.7960562858495732
Energy: 0.8734484744693076
Energy: 0.8087328394313226
Energy: 0.8687445096862133
Energy: 0.9209090424272709
Energy: 0.8687445096862133
Energy: 0.919585988716895
Energy: 0.7978555059103166
Energy: 0.8188203564419244
Energy: 0.7978555059091326
Energy: 0.7964554392083755
Energy: 0.822063764574335
Energy: 0.7978098717720297
Energy: 0.822063764574335
Energy: 0.8191758994005448
Energy: 0.8722579003433754
Energy: 0.7961409039197339
Energy: 0.8722579003421913
Energy: 0.9091266421628822
Energy: 0.9820310847982343
Energy: 0.8090947877958784
Energy: 0.9820310847982343
Energy: 0.7961260728538149
Energy: 0.8197011027751745
Energy: 0.7992968524962523
Energy: 0.8197011027751745
Energy: 0.9333065560322411
Energy: 0.875315295991471
Energy: 0.7962565302467812
Energy: 0.875315295991471
Energy: 0.7976231717367918
Energy: 0.841626022982551
Energy: 1.0332772152427039
Energy: 0.8416260229813668
Energy: 0.7961644362300829
Energy: 0.8227035024322468
Energy: 0.9357785404584384
Energy: 0.8227035024298784
Energy: 0.9211795531003892
Energy: 0.8728611443639791
Energy: 0.7964717568310843
Energy: 0.8728611443639791
Energy: 0.7959337843726093
Energy: 0.7976374790740803
Energy: 0.8088380632223907
Energy: 0.7976374790752643
Energy: 0.8187619459706005
Energy: 0.7965931071841262
Energy: 0.9088592943448915
Energy: 0.7965931071782054
Energy: 0.801647303308824
Energy: 0.8748393975917197
Energy: 0.7965429756795543
Energy: 0.8748393975822464
Energy: 0.7962313279297
Energy: 0.8774073317592371
Energy: 0.9319482180422803
Energy: 0.8774073317580531

minimum gb energy = 0.7956280371495247 eV
minimum distance =  2.70015736663403 Angstroms
sigma value = 17


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

Energy: 0.8893674379059588
Energy: 0.8900437383621662
Energy: 1.08540295998876
Energy: 0.8900437383621662
Energy: 0.9410553421208002
Energy: 0.8826955198296014
Energy: 0.8147148275803904
Energy: 0.8826955198296014
Energy: 0.9316238573763059
Energy: 0.922498729599235
Energy: 0.8145872583619055
Energy: 0.922498729599235
Energy: 0.8159937945736875
Energy: 0.9235777545712248
Energy: 0.8842456166201561
Energy: 0.9235777545725661
Energy: 0.9432068778947853
Energy: 0.8864089469442058
Energy: 0.8290717209094517
Energy: 0.8864089469442058
Energy: 0.8199417250166826
Energy: 0.8411779573694708
Energy: 0.9434500834678052
Energy: 0.8411779573694708
Energy: 0.8158041240428803
Energy: 0.9112294045241688
Energy: 0.8142915506281703
Energy: 0.9112294045241688
Energy: 0.9400563813416531
Energy: 0.899207899424573
Energy: 0.8193459552637093
Energy: 0.8992078993984175
Energy: 0.8182832239398462
Energy: 0.9084089885263292
Energy: 0.9495943205185166
Energy: 0.9084089885263292
Energy: 1.0140787682207077
Energy: 0.8677672136993585
Energy: 0.8176250260010934
Energy: 0.8677672136986879
Energy: 0.8147263260391906
Energy: 0.8980979984475779
Energy: 0.9313614835774063
Energy: 0.8980979984723616
Energy: 0.8190707705679929
Energy: 0.8810286894542532
Energy: 0.8178894040678021
Energy: 0.8810286894549237
Energy: 0.9398780220563827
Energy: 0.8197748397007107
Energy: 0.8194462880274537
Energy: 0.8197748397007107
Energy: 0.8177453809899449
Energy: 0.9235807812750251
Energy: 0.9333610749284571
Energy: 0.9235807812743545
Energy: 0.8871015485664862
Energy: 0.9129083594702685
Energy: 0.8177855761070146
Energy: 0.9129083594695978
Energy: 0.935656017737922
Energy: 0.8980584227912426
Energy: 0.939528186940546
Energy: 0.8980584227818534
Energy: 0.8146037549504201
Energy: 0.911488539264962
Energy: 0.9466260850440936
Energy: 0.9114885392656326
Energy: 0.9234119889009221
Energy: 0.8875142890815929
Energy: 0.8197886770278464
Energy: 0.8875142890815929
Energy: 0.81412782187043
Energy: 0.8817250474050798
Energy: 0.8709103225584095
Energy: 0.8817250473876429
Energy: 0.8142298314949897
Energy: 0.902844828622615
Energy: 0.8151284960819504
Energy: 0.902844828622615
Energy: 0.8756536707477504
Energy: 0.920496757065293
Energy: 0.9311581704051606
Energy: 0.9204967570585865
Energy: 0.8142330257849197
Energy: 0.9851725882809909
Energy: 1.0164188335010085
Energy: 0.9851725882809909
Energy: 0.9575572639697947
Energy: 0.9229306120283376
Energy: 0.8150798455783648
Energy: 0.9229306120290083
Energy: 0.8175407575952508
Energy: 0.8804240951592167
Energy: 0.9393458883247193
Energy: 0.880424095158546
Energy: 0.8174759177243245
Energy: 0.9200235072716026
Energy: 0.93894156285473
Energy: 0.9200235072709321
Energy: 0.9547034369933245
Energy: 0.9048514917366292
Energy: 0.8160552399820871
Energy: 0.9048514917379705
Energy: 0.8297854642045432
Energy: 0.9815976229124795
Energy: 1.0299391420789066
Energy: 0.9815976229131501
Energy: 0.9449174940988142
Energy: 0.8414772814471446
Energy: 0.9321258007861154
Energy: 0.8414772814478153
Energy: 0.99815896769431
Energy: 0.9045111159686857
Energy: 0.8154672333971932
Energy: 0.9045111159693564
Energy: 0.8193222778454409
Energy: 0.9204734408852809
Energy: 0.925177136447227
Energy: 0.9204734408846101

minimum gb energy = 0.81412782187043 eV
minimum distance =  2.60727629504187 Angstroms
sigma value = 53


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

Energy: 0.7617023744014106
Energy: 0.7612393629184555
Energy: 0.929687883257193
Energy: 0.7612393629169116
Energy: 0.9239272879045928
Energy: 0.8496083263472866
Energy: 0.8711600366364786
Energy: 0.8496083263488305
Energy: 0.7619233356879389
Energy: 0.7614158410775205
Energy: 0.9294627725500193
Energy: 0.7614158410790645
Energy: 0.7618959964846214
Energy: 0.7612830639576439
Energy: 0.77162950658997
Energy: 0.7612830639591879
Energy: 0.923894269508485
Energy: 0.8495722549951191
Energy: 0.8822371622631017
Energy: 0.8495722549951191
Energy: 0.7617023744029546
Energy: 0.7612393629184555
Energy: 1.0451094371259586
Energy: 0.7612393629184555
Energy: 0.9239272879045928
Energy: 0.8496083263472866
Energy: 0.9259487337028917
Energy: 0.8496083263488305
Energy: 0.7619233356894829
Energy: 0.7614158410775205
Energy: 0.9294627725484753
Energy: 0.7614158410790645
Energy: 0.7618959964846214
Energy: 0.7612830639591879
Energy: 0.8710860082570877
Energy: 0.7612830639591879
Energy: 0.923894269508485
Energy: 0.8495722549951191
Energy: 0.9399758166687624
Energy: 0.8495722549951191
Energy: 0.7617023744014106
Energy: 0.7612393629184555
Energy: 1.1134901809712263
Energy: 0.7612393629169116
Energy: 0.9239272879045928
Energy: 0.8496083263472866
Energy: 0.9259487337028917
Energy: 0.8496083263488305
Energy: 0.7619233356879389
Energy: 0.7614158410759766
Energy: 0.9294627725500193
Energy: 0.7614158410790645

minimum gb energy = 0.7612393629169116 eV
minimum distance =  2.6757091390689 Angstroms
sigma value = 9


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

Energy: 0.84351183057593
Energy: 0.9669365052100559
Energy: 1.1580175736684077
Energy: 0.9669365052237706
Energy: 0.9782296269817599
Energy: 0.9052854298387975
Energy: 0.847303490480001
Energy: 0.9052854298399404
Energy: 0.8555627790928626
Energy: 0.8377505877793934
Energy: 0.8505236716759504
Energy: 0.8377505877765361
Energy: 0.9603993907186746
Energy: 0.9159093633258372
Energy: 0.8497547290717155
Energy: 0.9159093633258372
Energy: 0.9701187708636028
Energy: 0.8945199291579711
Energy: 0.8503072231515041
Energy: 0.8945199291579711
Energy: 0.837192145532263
Energy: 0.8375518944256052
Energy: 0.969883792055273
Energy: 0.8375518944244623
Energy: 1.1051536429795237
Energy: 0.8924764133083254
Energy: 0.8567158293433825
Energy: 0.8924764133077538
Energy: 0.8543806238884646
Energy: 0.91034086487476
Energy: 0.9691165957964514
Energy: 0.9103408648753314
Energy: 0.8563564932148889
Energy: 0.9231540524848566
Energy: 0.8426307221098835
Energy: 0.9231540524837138
Energy: 0.8532354719238742
Energy: 0.8967169427187832
Energy: 0.8502097438904912
Energy: 0.8967169427199261
Energy: 0.8540290867732646
Energy: 0.9106550492847727
Energy: 1.1146744648083826
Energy: 0.9106550492859156
Energy: 0.9734835588838603
Energy: 0.9938644256776457
Energy: 0.8567545679570945
Energy: 0.9938644256776457
Energy: 0.8551489910986793
Energy: 0.9029039908447429
Energy: 1.0347490728466469
Energy: 0.9029039908430285
Energy: 0.9639568522940929
Energy: 1.0100061789338812
Energy: 0.8459168152811238
Energy: 1.0100061789327386
Energy: 0.8547695766429069
Energy: 0.9576451734013619
Energy: 0.9576059131330878
Energy: 0.9576451734013619
Energy: 0.8562021896937276
Energy: 0.9157304744303179
Energy: 0.9741440564035585
Energy: 0.9157304744286034
Energy: 0.8991130279774247
Energy: 0.9569194471783092
Energy: 0.8544317428786458
Energy: 0.9569194471794521
Energy: 0.8549564977170784
Energy: 0.8920945895976008
Energy: 0.9723035353186649
Energy: 0.8920945895970293
Energy: 0.9625787003659759
Energy: 0.9032366726952572
Energy: 0.8370651200998492
Energy: 0.9032366726946858
Energy: 0.8568815031725037
Energy: 0.904692347425224
Energy: 0.9047235954686336
Energy: 0.9046923474246527
Energy: 0.9665676431401327
Energy: 0.9410467582864314
Energy: 0.9620730509069182
Energy: 0.9410467582830027
Energy: 0.9109452339887141
Energy: 0.8466369936440244
Energy: 0.85551916313363
Energy: 0.84663699363831
Energy: 0.8427454772341498
Energy: 0.9490730989269367
Energy: 0.8594913417034092
Energy: 0.9490730989252223
Energy: 1.1383467297444199
Energy: 0.9077208052821731
Energy: 0.8545113288743554
Energy: 0.9077208053472919
Energy: 0.856468256029192
Energy: 0.9822972155451531
Energy: 1.047643556772672
Energy: 0.9822972155451531
Energy: 0.9159050054933839
Energy: 0.8378919399337862
Energy: 0.8558474818291104
Energy: 0.8378919399343577
Energy: 0.9592477198909198
Energy: 0.9525605389835812
Energy: 0.9608630862269869
Energy: 0.9525605389841526
Energy: 0.8532212872850276
Energy: 0.9109955556928009
Energy: 0.9607343638476783
Energy: 0.9109955556922295
Energy: 0.9142852668228555
Energy: 0.837510259443346
Energy: 0.8563356013350635
Energy: 0.837510259443346
Energy: 0.8481912281665033
Energy: 0.9825232362999189
Energy: 1.0471351728721912
Energy: 0.9825232362473719
Energy: 1.075193498833301
Energy: 0.9073015312528714
Energy: 0.8539808660764956
Energy: 0.9073015312500142
Energy: 0.8463394649380127
Energy: 0.895623601586576
Energy: 0.8575989567123312
Energy: 0.8956236015871474
Energy: 0.8488765555354377
Energy: 0.848158741992683
Energy: 0.8560402917394075
Energy: 0.8481587419772538
Energy: 0.9651658447254405
Energy: 0.9102058509302946
Energy: 0.9606861852643707
Energy: 0.9102058509291516
Energy: 0.8508359940392485
Energy: 0.9893648825548124
Energy: 1.1035189554831841
Energy: 0.9893648825548124

minimum gb energy = 0.8370651200998492 eV
minimum distance =  2.6126810388724 Angstroms
sigma value = 73


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

Energy: 0.898282085839964
Energy: 0.8982573387720759
Energy: 1.1301506160389203
Energy: 0.8982573387729826
Energy: 0.9196114125238875
Energy: 0.9250306237309356
Energy: 0.8496780870057687
Energy: 0.925030623730029
Energy: 0.8650967705206821
Energy: 0.8407174292847328
Energy: 0.855131125523977
Energy: 0.8407174292865461
Energy: 0.8710476429018473
Energy: 0.852519150870995
Energy: 0.8581946352739003
Energy: 0.852519150870995
Energy: 0.9149784884618472
Energy: 0.9298151984484447
Energy: 0.8708092845987478
Energy: 0.929815198447538
Energy: 0.8647037439502112
Energy: 0.8535501645763941
Energy: 1.05904576528272
Energy: 0.8535501645754874
Energy: 1.084057248991329
Energy: 0.983473439047487
Energy: 0.8659002307552373
Energy: 0.9834734390483935
Energy: 0.8627496397957514
Energy: 0.8382336944938691
Energy: 1.0352404310051138
Energy: 0.8382336944938691
Energy: 1.0815319120083038
Energy: 0.8380673093850421
Energy: 0.838361158036406
Energy: 0.8380673093850421
Energy: 0.862662654560191
Energy: 0.9372488204897729
Energy: 0.837626414250433
Energy: 0.9372488204906795
Energy: 0.8623276831719686
Energy: 0.8381525881155633
Energy: 1.0312442057219413
Energy: 0.8381525881146565
Energy: 0.9534660605096702
Energy: 0.8532305488448053
Energy: 0.8707092054748817
Energy: 0.8532305488457119
Energy: 0.8640134008598563
Energy: 0.9189590405195844
Energy: 1.009502537855211
Energy: 0.9189590405186777
Energy: 1.0940990950791711
Energy: 0.9691050537719292
Energy: 0.8701052633712574
Energy: 0.9691050537710226
Energy: 0.8480561332975292
Energy: 0.8740771009529493
Energy: 1.0072927269228982
Energy: 0.8740771009529493
Energy: 1.029140541025695
Energy: 0.837941807276428
Energy: 0.8667917728055891
Energy: 0.8379418072755419
Energy: 0.9080049930876398
Energy: 0.8990590639732068
Energy: 0.8654712059183619
Energy: 0.8990590639713935
Energy: 0.9052527212587091
Energy: 0.9000881319628168
Energy: 0.8685689703256904
Energy: 0.9000881319619102
Energy: 0.8472231689792711
Energy: 0.8383505092065175
Energy: 0.8641273754808777
Energy: 0.8383505092074244
Energy: 0.8377758396523171
Energy: 0.9404581322016795
Energy: 1.056406593050141
Energy: 0.9404581322025862
Energy: 1.0778960664286896
Energy: 0.8955093025454931
Energy: 0.8660803728390323
Energy: 0.8955093025463997
Energy: 0.8578831144331565
Energy: 0.9275793887804873
Energy: 0.974750651572236
Energy: 0.9275793887813939

minimum gb energy = 0.837626414250433 eV
minimum distance =  2.62381817780183 Angstroms
sigma value = 7


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

Energy: 0.8626472407484885
Energy: 0.8631131552701198
Energy: 1.173191717899024
Energy: 0.8631131552707609
Energy: 1.0835685087056157
Energy: 0.9263133200621302
Energy: 0.8577143927585619
Energy: 0.9263133200646946
Energy: 0.8598479238429148
Energy: 0.863300508313657
Energy: 0.8744622677991591
Energy: 0.8633005083155803
Energy: 0.9220516032637744
Energy: 0.9299249138309472
Energy: 0.8575272135157715
Energy: 0.9299249138277418
Energy: 0.8587902533745198
Energy: 0.9194918036101407
Energy: 0.8782798183893744
Energy: 0.9194918036101407
Energy: 0.8612221534288744
Energy: 0.8645526445597321
Energy: 1.0670295133275476
Energy: 0.864552644559091
Energy: 0.9572200093738469
Energy: 0.9657731825473841
Energy: 0.8850803220644333
Energy: 0.9657731825774865
Energy: 0.8610992215300444
Energy: 0.8642766956888192
Energy: 1.1020851900015847
Energy: 0.8642766956907424
Energy: 0.9755039137517786
Energy: 0.9245225132216234
Energy: 0.86275800599987
Energy: 0.9245225132222644
Energy: 0.8570169533951294
Energy: 0.9353289030678131
Energy: 0.9505525242151814
Energy: 0.9353289030684543
Energy: 0.8920959221546579
Energy: 0.8646844434968841
Energy: 0.8985130642640876
Energy: 0.8646844434917553
Energy: 0.8844631149320874
Energy: 0.9203122753765357
Energy: 0.9025012738324233
Energy: 0.9203122753771769
Energy: 0.8741518582286664
Energy: 0.8662501462210338
Energy: 0.9099582334970495
Energy: 0.8662501462235981
Energy: 0.8746565949200835
Energy: 0.8641962278440267
Energy: 0.892747649981687
Energy: 0.8641962278427445
Energy: 0.8565290746249956
Energy: 1.0098109191180344
Energy: 0.9585662685194618
Energy: 1.0098109191167521
Energy: 1.1723549414407815
Energy: 0.8633859647352466
Energy: 0.8618621592922033
Energy: 0.863385964736529
Energy: 0.8564843990691924
Energy: 0.91883802148908
Energy: 0.9807719844516491
Energy: 0.9188380214871567
Energy: 0.8677937175087485
Energy: 0.9085321778078636
Energy: 0.8935398643198289
Energy: 0.9085321778091456
Energy: 0.8567138608249175
Energy: 0.8641125887631934
Energy: 0.8938533185727063
Energy: 0.8641125887606582
Energy: 0.8572296325286772
Energy: 0.9195939352931114
Energy: 0.8634994100647873
Energy: 0.9195939352604157
Energy: 0.9081314360967965
Energy: 0.8817608166467389
Energy: 0.8627371033509961
Energy: 0.8817608166499443
Energy: 0.8614292804082643
Energy: 0.8629076408930066
Energy: 0.9526618871535062
Energy: 0.8629076408974943
Energy: 1.0601789088560427
Energy: 0.9239881289059667
Energy: 0.8736201717367845
Energy: 0.9239881289078898
Energy: 0.8651358865217491
Energy: 0.8636416055409185
Energy: 1.0653146969645546
Energy: 0.8636416055415596
Energy: 0.8755314125908265
Energy: 0.9197187536012573
Energy: 0.8737819286198689
Energy: 0.9197187535993341
Energy: 0.9088088351738046
Energy: 0.8639751886581664
Energy: 0.8794782291062756
Energy: 0.8639751886594487
Energy: 0.8613303809281638
Energy: 0.9322710085836989
Energy: 0.868090579952456
Energy: 0.9322710085888277
Energy: 0.8772937793650336
Energy: 0.9199350018299863
Energy: 0.8568212688307475
Energy: 0.9199350018299863
Energy: 0.8614592442426312
Energy: 0.8639266489124151
Energy: 0.9728451063923226
Energy: 0.8639266489124151
Energy: 0.8648990180649472
Energy: 0.8823922751634308
Energy: 0.8578981243411448
Energy: 0.8823922751685596
Energy: 0.8614481619455192
Energy: 0.8637129781955415
Energy: 1.0542079405103457
Energy: 0.8637129781910537

minimum gb energy = 0.8564843990691924 eV
minimum distance =  2.6009768352488 Angstroms
sigma value = 29


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

Energy: 0.833076037430473
Energy: 0.8492611868020482
Energy: 0.8756429791194108
Energy: 0.8492611868024947
Energy: 0.873637323321575
Energy: 0.8345017643516907
Energy: 0.8328668567500301
Energy: 0.8345017643516907
Energy: 0.8051861994325759
Energy: 0.7962105078352957
Energy: 0.8053663507570326
Energy: 0.7962105078344273
Energy: 0.8325299267768996
Energy: 0.8057978920730668
Energy: 0.8328367320320761
Energy: 0.8057978920728436
Energy: 0.8331250066212295
Energy: 0.8667119224442491
Energy: 0.8056416183510419
Energy: 0.8667119224436041
Energy: 0.8862958775801759
Energy: 0.8747182657867619
Energy: 0.8862283254912617
Energy: 0.8747182657869853
Energy: 0.8053873646444898
Energy: 0.8667022360263608
Energy: 0.8331285031360797
Energy: 0.8667022360256909
Energy: 0.8328180739422533
Energy: 0.8057019189734893
Energy: 0.8336240267935532
Energy: 0.8057019189721742
Energy: 0.8057521131690134
Energy: 0.7959213637064253
Energy: 0.8749918043233725
Energy: 0.7959213637068471

minimum gb energy = 0.7959213637064253 eV
minimum distance =  2.66442080665355 Angstroms
sigma value = 5


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

Energy: 0.8354703088761094
Energy: 0.8346544108088734
Energy: 0.9205123439162252
Energy: 0.834654410809479
Energy: 0.8356227546133651
Energy: 0.8899746171641499
Energy: 0.8046080734973049
Energy: 0.8899746171629389
Energy: 0.8114749988881537
Energy: 0.8388945184750383
Energy: 0.9651033072359171
Energy: 0.8388945184762495
Energy: 0.8447969455250168
Energy: 0.8857705846751286
Energy: 0.8218011727981606
Energy: 0.8857705846757342
Energy: 0.8213600050947129
Energy: 0.8877547243870696
Energy: 0.9730156364056789
Energy: 0.887754724386464
Energy: 0.8694767161188152
Energy: 0.8394533097728863
Energy: 0.8142819048199782
Energy: 0.8394533097747031
Energy: 0.8137863959038342
Energy: 0.8927272071924567
Energy: 0.8132283075993454
Energy: 0.8927272071894287
Energy: 0.819437667248507
Energy: 0.8400180362481827
Energy: 0.8132389317704388
Energy: 0.840018036249394
Energy: 0.8189727309395766
Energy: 0.8914796536995965
Energy: 0.8119613367086962
Energy: 0.8914796536995965
Energy: 0.8250616588116049
Energy: 0.886738996270448
Energy: 0.8208309976946694
Energy: 0.8867389962716318
Energy: 0.828459762234729
Energy: 0.8397987166394298
Energy: 0.8117419414214165
Energy: 0.839798716640641
Energy: 0.8211777492756136
Energy: 0.8531097205819678
Energy: 0.9046098351589515
Energy: 0.8531097205813621
Energy: 0.8505234772422947
Energy: 0.8383694124476728
Energy: 0.8305140606681582
Energy: 0.8383694124482785
Energy: 0.8150383927559544
Energy: 0.8389443765397279
Energy: 0.8547488901434953
Energy: 0.8389443765385167
Energy: 0.9102886635897917
Energy: 0.8885592825303311
Energy: 0.8117713157241184
Energy: 0.8885592825315424
Energy: 0.8204456298903025
Energy: 0.8317438266732798
Energy: 0.9495176349198275
Energy: 0.8317438266732798
Energy: 0.9575291998209883
Energy: 0.8929186344252308
Energy: 0.8307454371100893
Energy: 0.892918634426442
Energy: 0.8166736294215355
Energy: 0.8394504829650595
Energy: 0.9061022702916224
Energy: 0.8394504829674818
Energy: 0.8146383617349137
Energy: 0.8941617570229341
Energy: 0.8168668431646292
Energy: 0.8941617570265401
Energy: 0.821161992675591
Energy: 0.8822001509957592
Energy: 0.8303941148227676
Energy: 0.8822001452385332
Energy: 0.8241312443522838
Energy: 0.8395724315640659
Energy: 0.8207995243509495
Energy: 0.8395724315622491
Energy: 0.8259232039616401
Energy: 0.885629489640725
Energy: 0.8178483922507845
Energy: 0.8856294896431475
Energy: 0.8135639898030235
Energy: 0.8398655225831527
Energy: 0.8125333690650998
Energy: 0.8398655225795192
Energy: 0.9042958359150488
Energy: 0.8381811032043772
Energy: 0.825657043845492
Energy: 0.8381811032025606
Energy: 0.9091463442201196
Energy: 0.8263022006825731
Energy: 0.8171921893337011
Energy: 0.8263022006868123
Energy: 0.8282894715761551
Energy: 0.8391672952621271
Energy: 0.8158740782091233
Energy: 0.8391672952603104
Energy: 0.8136897622086059
Energy: 0.8826504926018929
Energy: 0.9026963924983508
Energy: 0.8826504926031041
Energy: 0.8608174610550975
Energy: 0.8688073986329129
Energy: 0.8191978102244576
Energy: 0.8688073986347296
Energy: 0.812726362471673
Energy: 0.9047459626648295
Energy: 0.8958574410830735
Energy: 0.9047459626654353
Energy: 0.9710361537990526
Energy: 0.8395905405638185
Energy: 0.8157767015663798
Energy: 0.8395905405656354
Energy: 0.8138920625399306
Energy: 0.8308378660635857
Energy: 0.9456532342457898
Energy: 0.8308378660647969
Energy: 0.9740580853280689
Energy: 0.8734771598043533
Energy: 0.8184070753444176
Energy: 0.8734771598049589
Energy: 0.823459916519412
Energy: 0.9196729418339418
Energy: 0.8146286440800972
Energy: 0.9196729418369698

minimum gb energy = 0.8046080734973049 eV
minimum distance =  2.59969539588832 Angstroms
sigma value = 1


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

Energy: 0.8060091709537476
Energy: 0.8061154193231214
Energy: 0.8172413225134613
Energy: 0.806115419324796
Energy: 0.7999416976475167
Energy: 0.812271375244734
Energy: 0.7888516588088719
Energy: 0.812271375242222
Energy: 0.7775393498797709
Energy: 0.80635849599854
Energy: 1.0723009740227825
Energy: 0.8063584959977216
Energy: 0.8313191054967503
Energy: 0.8725886005523278
Energy: 0.7791213614502307
Energy: 0.8725886005531651
Energy: 0.7779459470700703
Energy: 0.891027946715039
Energy: 0.8123498776144901
Energy: 0.8910279467142017
Energy: 0.7762971110941996
Energy: 0.8500356889766731
Energy: 0.7791679164711742
Energy: 0.8500356889766731
Energy: 0.7776176688766867
Energy: 0.8914772549705556
Energy: 0.7892796559307834
Energy: 0.8914772549705556
Energy: 0.7773896929899365
Energy: 0.8082287319243291
Energy: 0.797275953880619
Energy: 0.8082287319218362
Energy: 0.8060071332758459
Energy: 0.8009693713460355
Energy: 0.7975548585997482
Energy: 0.8009693713468728
Energy: 0.8060309647807886
Energy: 0.8009947328207956
Energy: 0.8229501604660006
Energy: 0.8009947328207956
Energy: 0.7770525005015311
Energy: 0.8083824839741297
Energy: 0.7980447106678655
Energy: 0.808382483974967
Energy: 0.7775741016996396
Energy: 0.8914665680987575
Energy: 0.8056461014235906
Energy: 0.8914665681012695
Energy: 0.7764610713610592
Energy: 0.850166551832615
Energy: 0.778996492146966
Energy: 0.8501665518359643
Energy: 0.7779388992545276
Energy: 0.8907513965969404
Energy: 0.9081556277520235
Energy: 0.8907513965977777
Energy: 0.8315814834990386
Energy: 0.872589095676748
Energy: 0.7791216984813408
Energy: 0.8725890956759107
Energy: 0.7775380242570323
Energy: 0.8062394653610507
Energy: 0.9713327860278892
Energy: 0.8062394653635627
Energy: 0.7992193232934113
Energy: 0.8124636809626542
Energy: 0.7888601256593891
Energy: 0.8124636809626542
Energy: 0.8060091709529102
Energy: 0.8061154193239587
Energy: 0.8506885940765126
Energy: 0.8061154193231214
Energy: 0.7999416976466794
Energy: 0.8122713752438967
Energy: 0.7888516588097092
Energy: 0.812271375242222
Energy: 0.7775393498806082
Energy: 0.80635849599854
Energy: 1.0723009740227825
Energy: 0.80635849599854
Energy: 0.8313191054967503
Energy: 0.8725886005523278
Energy: 0.7791213614502307
Energy: 0.8725886005540023
Energy: 0.7779459470700703
Energy: 0.891027946715039
Energy: 0.8123498776103034
Energy: 0.8910279467142017
Energy: 0.7762971115118376
Energy: 0.8500356889775105
Energy: 0.7791679164711742
Energy: 0.8500356889783479
Energy: 0.777617668877524
Energy: 0.8914772549705556
Energy: 0.7892796559291088
Energy: 0.8914772549705556

minimum gb energy = 0.7762971110941996 eV
minimum distance =  2.61694544884876 Angstroms
sigma value = 17


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

Energy: 0.8021916432717735
Energy: 0.8026181592847561
Energy: 0.9967383844142564
Energy: 0.8026181592842385
Energy: 0.9103437317317071
Energy: 0.7929203276315138
Energy: 0.7835951327653898
Energy: 0.7929203276325488
Energy: 0.7809723681833125
Energy: 0.7966578883786761
Energy: 0.9560041506211812
Energy: 0.7966578883781585
Energy: 0.8203462595183697
Energy: 0.7739866268846688
Energy: 0.7784520464002292
Energy: 0.7739866268841983
Energy: 0.7802479540864168
Energy: 0.8629723981027828
Energy: 0.8136595699868511
Energy: 0.8629723981033003
Energy: 0.7827983439482946
Energy: 0.8408915393545393
Energy: 0.7866086470105141
Energy: 0.8408915393597146
Energy: 0.7874847542774677
Energy: 0.8524351874036726
Energy: 0.796568800422833
Energy: 0.852435187403155
Energy: 0.7756494404408424
Energy: 0.8453885921874476
Energy: 0.7813374257517439
Energy: 0.8453885921874476
Energy: 0.7964767744104273
Energy: 0.8414005725054622
Energy: 0.802635013519922
Energy: 0.8414005725044272
Energy: 0.7965339972300809
Energy: 0.8418166768593359
Energy: 0.7842508319986328
Energy: 0.8418166768588184
Energy: 0.7797980044349828
Energy: 0.8296187051991277
Energy: 0.7837980432984815
Energy: 0.8296187051996453
Energy: 0.7844023340365318
Energy: 0.8463457230928163
Energy: 0.7729437292781157
Energy: 0.8463457230928163
Energy: 0.7816828772556677
Energy: 0.8375585457243693
Energy: 0.7823653821174001
Energy: 0.8375585457254043
Energy: 0.7899972453180164
Energy: 0.8615597866908876
Energy: 0.8025143164828246
Energy: 0.8615597866908876
Energy: 0.7835571787622811
Energy: 0.7772511940993126
Energy: 0.810499912056936
Energy: 0.7772511940993126
Energy: 0.7803448725188745
Energy: 0.7973521399294771
Energy: 0.8152853971626487
Energy: 0.7973521399294771
Energy: 0.8106266606905818
Energy: 0.7775140897001358
Energy: 0.7827968805727464
Energy: 0.7775140897001358
Energy: 0.7747843018886504
Energy: 0.8031534766837892
Energy: 0.7935340076579043
Energy: 0.8031534766837892
Energy: 0.9027298118797465
Energy: 0.847082621829135
Energy: 0.7831299168474506
Energy: 0.847082621872561
Energy: 0.7828195890198371
Energy: 0.7965799673351753
Energy: 0.8420023713283836
Energy: 0.7965799673346579
Energy: 0.8015553299575848
Energy: 0.7881875717599541
Energy: 0.7904116133564623
Energy: 0.7881875717599541
Energy: 0.7750107046469935
Energy: 0.8533452050919091
Energy: 0.9009047440636803
Energy: 0.8533452050903564
Energy: 0.8116062632652489
Energy: 0.7810729283520581
Energy: 0.7843778989331457
Energy: 0.7810729283536106
Energy: 0.778642559919634
Energy: 0.8545059299150961
Energy: 0.9137475799877096
Energy: 0.8545059299150961
Energy: 0.8079730526320812
Energy: 0.803484175246351
Energy: 0.7762481792252539
Energy: 0.8034841752453158
Energy: 0.78831665619904
Energy: 0.8642277228742623
Energy: 0.7860157891060772
Energy: 0.8642277228742623
Energy: 0.9049072819928885
Energy: 0.8384859808362437
Energy: 0.7815388036769285
Energy: 0.8384859808372788
Energy: 0.8095070572956495
Energy: 0.7782631522168222
Energy: 0.7840677838662897
Energy: 0.7782631522261381
Energy: 0.8023135013729676
Energy: 0.8610120947768414
Energy: 0.7938259291583336
Energy: 0.8610120947778764
Energy: 0.7884209763518935
Energy: 0.8356695414516093
Energy: 0.8318599985100638
Energy: 0.8356695414505743
Energy: 0.7735742906396775
Energy: 0.8610909973931575
Energy: 0.7735775063814682
Energy: 0.8610909973941925
Energy: 0.7858788387755193
Energy: 0.8291786054068367
Energy: 0.7766792013539321
Energy: 0.8291786054078718
Energy: 0.7817405925332573
Energy: 0.8429678023531318
Energy: 0.9109726242108633
Energy: 0.8429678023526143
Energy: 0.811914461278695
Energy: 0.9165731666904381
Energy: 0.7854753502163218
Energy: 0.9165731666909556
Energy: 0.7803883913699282
Energy: 0.8036532171378815
Energy: 0.8099193901953253
Energy: 0.8036532171389167
Energy: 0.7967353548674653
Energy: 0.8540770626302998
Energy: 0.7860721215049172
Energy: 0.8540770626313348
Energy: 0.7843958056898284
Energy: 0.8417480194295978
Energy: 0.7850659951511423
Energy: 0.8417480194280452
Energy: 0.8122599459036557
Energy: 0.8645837144465407
Energy: 0.7889289607349993
Energy: 0.8645837144465407

minimum gb energy = 0.7729437292781157 eV
minimum distance =  2.60378118922101 Angstroms
sigma value = 89


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

Energy: 0.7168166952734342
Energy: 0.7168573997786338
Energy: 1.1851027049156935
Energy: 0.7168573997786338
Energy: 0.717234527051621
Energy: 0.7347280737057972
Energy: 0.732078569645875
Energy: 0.7347280737071513
Energy: 0.7295230476762149
Energy: 0.854353722340966
Energy: 1.1854893023810051
Energy: 0.854353722340966
Energy: 0.752474305455393
Energy: 0.7348898903099493
Energy: 0.7321842364986052
Energy: 0.7348898903099493
Energy: 0.7295543715070919
Energy: 0.8063903080909541
Energy: 0.7188695671944032
Energy: 0.8063903080909541
Energy: 0.7298070843022861
Energy: 0.7177426379754602
Energy: 0.7168382604379857
Energy: 0.7177426379754602
Energy: 0.7297697831665375
Energy: 0.8539900404329596
Energy: 0.7171288417122265
Energy: 0.8539900404329596
Energy: 0.7539679008979596
Energy: 0.7664061946299615
Energy: 0.732045563559037
Energy: 0.7664061946299615
Energy: 0.7295846677261723
Energy: 0.8064407848439381
Energy: 0.7515719840795034
Energy: 0.8064407848439381
Energy: 0.7346792436795949
Energy: 0.7172441350495882
Energy: 0.7297330459658578
Energy: 0.7172441350495882
Energy: 0.7168093230753421
Energy: 0.7355027684170651
Energy: 0.7296533326453379
Energy: 0.7355027684184192
Energy: 0.7168614404641789
Energy: 0.8538422678689084
Energy: 0.7323582253244479
Energy: 0.8538422678689084
Energy: 0.729591820476881
Energy: 0.7191366402811372
Energy: 0.7528671197939537
Energy: 0.7191366402811372
Energy: 0.7299092846833316
Energy: 0.8059102536461584
Energy: 0.7298600282285755
Energy: 0.8059102536461584
Energy: 0.7268339724577011
Energy: 0.7191737027614176
Energy: 0.7296199272021825
Energy: 0.7191737027627717

minimum gb energy = 0.7168093230753421 eV
minimum distance =  2.63224143809099 Angstroms
sigma value = 13


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

Energy: 0.7187545223218051
Energy: 0.9346236329351046
Energy: 0.7502784940712893
Energy: 0.9346236329322666
Energy: 0.8394527154437016
Energy: 0.9418497619135034
Energy: 0.6967286956250395
Energy: 0.9418497619123682
Energy: 0.6983079905924916
Energy: 0.8142568847018928
Energy: 1.0129640771980606
Energy: 0.8142568847030279
Energy: 0.7139757200782916
Energy: 0.8255561129050037
Energy: 0.6946637875317669
Energy: 0.8255561129033011
Energy: 0.7031447440856141
Energy: 0.8757075066091239
Energy: 0.7412261513852392
Energy: 0.8757075066108265
Energy: 0.6979281523469699
Energy: 0.7114077230268581
Energy: 0.7061449508515377
Energy: 0.7114077230211824
Energy: 0.7032310557830991
Energy: 0.8733739187647533
Energy: 0.7568908386343628
Energy: 0.8733739189786248
Energy: 0.6950299782674938
Energy: 0.8247586078602667
Energy: 0.7063363042661382
Energy: 0.8247585760909124
Energy: 0.7029405683110329
Energy: 0.8724377441623923
Energy: 0.8318568263917732
Energy: 0.8724377441595544
Energy: 0.829148985588125
Energy: 0.8843330274044647
Energy: 0.6947094005987776
Energy: 0.8843330274033296
Energy: 0.7029373747201556
Energy: 0.7764369941796665
Energy: 0.7129933190008815
Energy: 0.7764369941847747
Energy: 0.7582716637801687
Energy: 0.8841865001414472
Energy: 0.693145911864989
Energy: 0.8841865001374744
Energy: 0.7243888270332491
Energy: 0.707391357833785
Energy: 0.7002761086808689
Energy: 0.7073913578360554
Energy: 0.9342341967399503
Energy: 0.775628794048129
Energy: 0.6934037706685379
Energy: 0.7756287940174801
Energy: 0.7027985223220914
Energy: 0.697124767686162
Energy: 0.7008235004138423
Energy: 0.6971247676816216
Energy: 0.6986587591486965
Energy: 0.7761368549467476
Energy: 0.6960242957401401
Energy: 0.7761368549467476
Energy: 0.708166299826504
Energy: 0.7589569690271549
Energy: 0.6955973984159862
Energy: 0.7589569690254522
Energy: 0.706946467480941
Energy: 0.7607398919788486
Energy: 0.7036828737311234
Energy: 0.7607398919828215
Energy: 0.7083608896782526
Energy: 0.7078741779256198
Energy: 0.7036469008834143
Energy: 0.7078741779222144
Energy: 0.708495991741367
Energy: 0.7080133612380428
Energy: 0.7034574903805382
Energy: 0.7080133612352051
Energy: 0.7068931735410465
Energy: 0.7608179207719536
Energy: 0.7036314278850407
Energy: 0.7608179207759268
Energy: 0.7080727032426791
Energy: 0.758967108853465
Energy: 0.6953184259886181
Energy: 0.7589671088500596
Energy: 0.6986867083737122
Energy: 0.7759545066071813
Energy: 0.6960480458613467
Energy: 0.7759545066015054
Energy: 0.7028180065108491
Energy: 0.6971651765505531
Energy: 0.7290074885630449
Energy: 0.6971651765471477
Energy: 0.9346109930388768
Energy: 0.7760188461905874
Energy: 0.693263722055739
Energy: 0.7760188461888846
Energy: 0.7277975453439236
Energy: 0.7075886620628847
Energy: 0.7286519124322242
Energy: 0.7075886620606402
Energy: 0.7573232483940784
Energy: 0.883945187741525
Energy: 0.6928558129969543
Energy: 0.8839451877381197
Energy: 0.7029862086514017
Energy: 0.7765911768996407
Energy: 0.7227082266185512
Energy: 0.7765911768956677
Energy: 0.8390551399270696
Energy: 0.8841892507813366
Energy: 0.6947001571132028
Energy: 0.8841892507745258
Energy: 0.7030507834144962
Energy: 0.8724411259798653
Energy: 0.9641870010794723
Energy: 0.8724411259815681
Energy: 0.6949717920454636
Energy: 0.8247870853617991
Energy: 0.706309171685844
Energy: 0.8247870852392551
Energy: 0.7031903957065544
Energy: 0.8731747670998902
Energy: 0.8628722777883585
Energy: 0.8731747670970523
Energy: 0.6976691226408254
Energy: 0.7115472821213185
Energy: 0.7061563387456277
Energy: 0.711547282116778
Energy: 0.7030574037517715
Energy: 0.8756822032144436
Energy: 0.7504751713532807
Energy: 0.8756822032133086
Energy: 0.7141191205835603
Energy: 0.8254033065703972
Energy: 0.694841450686557
Energy: 0.8254033065726675

minimum gb energy = 0.6928558129969543 eV
minimum distance =  2.58306279481124 Angstroms
sigma value = 37


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

Energy: 0.6591736284998428
Energy: 0.6589797011095787
Energy: 0.6803016830480325
Energy: 0.6589797011095787
Energy: 0.7263377030901782
Energy: 0.7556891715451105
Energy: 0.6456754398180784
Energy: 0.7556891715451105
Energy: 0.6457281118768161
Energy: 0.6880642240409076
Energy: 1.082069265803106
Energy: 0.6880642240409076
Energy: 0.6382751177412607
Energy: 0.7693352718041477
Energy: 0.6456276628010472
Energy: 0.76933527180903
Energy: 0.6443388452333123
Energy: 0.7552926464409963
Energy: 0.6387630453271417
Energy: 0.7552926464400198
Energy: 0.6466574845634794
Energy: 0.755527487580886
Energy: 0.6396560374479423
Energy: 0.7555274875818625
Energy: 0.6592187464740284
Energy: 0.7033044860998157
Energy: 0.7272831685006226
Energy: 0.7033044860998157
Energy: 0.644498357891528
Energy: 0.6596124769478074
Energy: 0.6613854845571595
Energy: 0.6596124769487839
Energy: 0.6443966602534567
Energy: 0.7553440077666255
Energy: 0.7259179749555925
Energy: 0.7553440077666255
Energy: 0.8784393102996063
Energy: 0.6890134750653161
Energy: 0.6397872855908942
Energy: 0.6890134750643395
Energy: 0.6592442169576994
Energy: 0.6885041153604907
Energy: 0.637986440829712
Energy: 0.6885041153604907
Energy: 0.8717739912310918
Energy: 0.6592331432795279
Energy: 0.6456628689803774
Energy: 0.6592331432795279
Energy: 0.6377561044869283
Energy: 0.7553076857219679
Energy: 0.6469467935512154
Energy: 0.7553076857219679
Energy: 0.8449243923474936
Energy: 0.7040718910257475
Energy: 0.6442842362070285
Energy: 0.7040718910257475
Energy: 0.6588712370355437
Energy: 0.687519767370393
Energy: 0.6445833755715948
Energy: 0.6875197673713694
Energy: 0.6592374276855245
Energy: 0.7551748840431592
Energy: 0.6456825607140251
Energy: 0.7551748840441358
Energy: 0.637597729212104
Energy: 0.6599690198182812
Energy: 0.6471238452289545
Energy: 0.6599690198182812
Energy: 0.6380433163175496
Energy: 0.6875538634646265
Energy: 0.6443525887602325
Energy: 0.6875538634646265
Energy: 0.6443564633102904
Energy: 0.6601383504115627
Energy: 0.6446071630223847
Energy: 0.6601383504115627
Energy: 0.6385317296885784
Energy: 0.659290461273285
Energy: 0.6376928570549839
Energy: 0.659290461273285

minimum gb energy = 0.637597729212104 eV
minimum distance =  2.65010948014109 Angstroms
sigma value = 25


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

Energy: 0.6177750882620836
Energy: 0.5896607637935245
Energy: 0.615254880819127
Energy: 0.5896607637919995
Energy: 0.7748219707614086
Energy: 0.7441660219294348
Energy: 0.5901605451476138
Energy: 0.7441660219218097
Energy: 0.5861435724945582
Energy: 0.5862103151506157
Energy: 0.7825087681279093
Energy: 0.5862103151506157
Energy: 0.6440146899185207
Energy: 0.7425452192444285
Energy: 0.5901974256775886
Energy: 0.7425452192444285
Energy: 0.5896944850236651
Energy: 0.8915993320210615
Energy: 0.5806305740783952
Energy: 0.8915993320195363
Energy: 0.5820827198940379
Energy: 0.7429756301200637
Energy: 0.5906133965519796
Energy: 0.7429756301208262
Energy: 0.5920870876441497
Energy: 0.7358843316623717
Energy: 0.6449567694031301
Energy: 0.7358843316623717
Energy: 0.5838437952030038
Energy: 0.6176218245070412
Energy: 0.5875881679327205
Energy: 0.6176218245009412
Energy: 0.591165723954659
Energy: 0.7426941954161527
Energy: 0.7716174339701374
Energy: 0.7426941954024622
Energy: 0.58211847689952
Energy: 0.7354877589818258
Energy: 0.6191976195495479
Energy: 0.7354877589810633
Energy: 0.591921331917597
Energy: 0.5861013056143966
Energy: 0.8909966463405381
Energy: 0.5861013056143966
Energy: 0.7585391269821001
Energy: 0.824639555273594
Energy: 0.5876434992711878
Energy: 0.8246395552728316
Energy: 0.5907665488144265
Energy: 0.6003736871847088
Energy: 0.7371696609341412
Energy: 0.6003736871831838
Energy: 0.7586773017776054
Energy: 0.8045910745864625
Energy: 0.5901834118987864
Energy: 0.804591074587225
Energy: 0.5916704128094111
Energy: 0.5860859097333813
Energy: 0.5794716947896813
Energy: 0.5860859097341438
Energy: 0.7637550724044289
Energy: 0.8263893585101166
Energy: 0.5906979538725107
Energy: 0.8263893585093541
Energy: 0.5908228158457962
Energy: 0.6174024700923472
Energy: 0.5838189467235365
Energy: 0.6174024700915847
Energy: 0.7426357896715023
Energy: 0.7429674238782472
Energy: 0.5902578962294136
Energy: 0.7429674238774847
Energy: 0.6176516233508814
Energy: 0.7359585873670439
Energy: 0.5821094674962995
Energy: 0.7359585873678063
Energy: 0.8877483013738886
Energy: 0.8260917353297336
Energy: 0.5906847328187225
Energy: 0.8260917353297336
Energy: 0.5907062757340716
Energy: 0.824350686590122
Energy: 0.583984166655742
Energy: 0.8243506865908845
Energy: 0.5862683021268682
Energy: 0.6000930576147082
Energy: 0.590255014768136
Energy: 0.6000930576154706
Energy: 0.5917668785541188
Energy: 0.8034680296993053
Energy: 0.7636489100889904
Energy: 0.8034680296947648
Energy: 0.5781594563138117
Energy: 0.6966869552911709
Energy: 0.5905970620855884
Energy: 0.6966869552919334
Energy: 0.5909002128249734
Energy: 0.8262859620857743
Energy: 0.7633136843403774
Energy: 0.8262859620857743
Energy: 0.5785735558412164
Energy: 0.6177406515483184
Energy: 0.586018271600319
Energy: 0.6177406515483184

minimum gb energy = 0.5781594563138117 eV
minimum distance =  2.65422448593384 Angstroms
sigma value = 41


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

Energy: 0.7863385606431794
Energy: 0.7886627142435255
Energy: 0.9161746583171703
Energy: 0.7886627142447757
Energy: 0.8074625828252158
Energy: 0.6610806987809557
Energy: 0.5375177875253546
Energy: 0.6610806987809557
Energy: 0.5511777048250142
Energy: 0.6577861965881794
Energy: 0.7026086046620686
Energy: 0.6577861965900548
Energy: 0.6965791034017784
Energy: 0.7835502542274486
Energy: 0.5375414656265914
Energy: 0.7835502542280738
Energy: 0.5335479773928077
Energy: 0.7966046951396301
Energy: 0.5317322592069029
Energy: 0.7966046951402552
Energy: 0.5843040391470528
Energy: 0.661223320004236
Energy: 0.5375004240930363
Energy: 0.6612233200492171
Energy: 0.5368024311789461
Energy: 0.7837881201875275
Energy: 0.5837029590506984
Energy: 0.7837881201881528
Energy: 0.5329528086447126
Energy: 0.6690327966407534
Energy: 0.5344263707696206
Energy: 0.669032796639503
Energy: 0.539513329020572
Energy: 0.7290049824656867
Energy: 0.6945117940540163
Energy: 0.7290049824663117
Energy: 0.534403526956547
Energy: 0.6569547688345988
Energy: 0.5520071156343175
Energy: 0.6569547688345988
Energy: 0.5367922511167301
Energy: 0.6610186231808955
Energy: 0.8087249217601696
Energy: 0.66101862317777
Energy: 0.5331286123809996
Energy: 0.6684799195087833
Energy: 0.7871577035069539
Energy: 0.6684799195069079
Energy: 0.5394751746983494
Energy: 0.7307641788422814
Energy: 0.8994847148306272
Energy: 0.7307641788422814
Energy: 0.6675577678720228
Energy: 0.5687957892044267
Energy: 0.5520506990088485
Energy: 0.5687957892044267
Energy: 0.5367465021325136
Energy: 0.5415713887801752
Energy: 0.7884877504512862
Energy: 0.5415713887808002
Energy: 0.6794525638749224
Energy: 0.6707254582108052
Energy: 0.5344495332538214
Energy: 0.6707254582114304
Energy: 0.5399042788048274
Energy: 0.7302230089599852
Energy: 0.6630168898994172
Energy: 0.7302230089599852
Energy: 0.6824174409583215
Energy: 0.5685735604523454
Energy: 0.5374453347026927
Energy: 0.5685735604273402
Energy: 0.5370895950525831
Energy: 0.5515560454261236
Energy: 0.53272863247909
Energy: 0.5515560454261236
Energy: 0.6849549673451744
Energy: 0.6682910287635501
Energy: 0.5396097657202839
Energy: 0.6682910287629249
Energy: 0.5545559971532927
Energy: 0.6191238362236534
Energy: 0.5344271576987849
Energy: 0.6191238362236534
Energy: 0.9008244298787544
Energy: 0.567249454969605
Energy: 0.5377232190585137
Energy: 0.5672494549683548
Energy: 0.7895012542699763
Energy: 0.6692059897745535
Energy: 0.5332501341229952
Energy: 0.669205989791432
Energy: 0.7952733754913501
Energy: 0.7290482251606549
Energy: 0.5396526414549292
Energy: 0.7290482251619052
Energy: 0.5544723982504731
Energy: 0.5530521457634711
Energy: 0.5355123904108666
Energy: 0.5530521457565947
Energy: 0.7946387647522418
Energy: 0.566847583508644
Energy: 0.5373825995222066
Energy: 0.5668475835080188
Energy: 0.5370442333733357
Energy: 0.6685949861944823
Energy: 0.6794505088345436
Energy: 0.6685949861969829
Energy: 0.5338016819658901
Energy: 0.6190873967377737
Energy: 0.5395238011130219
Energy: 0.6190873967527768
Energy: 0.5394473385012515
Energy: 0.7348644080347285
Energy: 0.6824973417964624
Energy: 0.7348644080347285
Energy: 0.5300439234787488
Energy: 0.7545643365568464
Energy: 0.5399832057474787
Energy: 0.7545643365562212
Energy: 0.537391782205043
Energy: 0.6683327184132872
Energy: 0.6850464202109665
Energy: 0.6683327184139123
Energy: 0.5307789263692417
Energy: 0.6169884909926715
Energy: 0.5577979508940388
Energy: 0.6169884909926715

minimum gb energy = 0.5300439234787488 eV
minimum distance =  2.64077362220996 Angstroms
sigma value = 15


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

Energy: 0.7170775807709197
Energy: 0.5081611135385604
Energy: 0.896069034571834
Energy: 0.5081611135401491
Energy: 0.8256340869862546
Energy: 0.6049313501162595
Energy: 0.5061259820549642
Energy: 0.6049313501189075
Energy: 0.522466394605889
Energy: 0.70620284184105
Energy: 0.573326981227304
Energy: 0.70620284184105
Energy: 0.731999489142962
Energy: 0.6066043382437799
Energy: 0.5062045918464603
Energy: 0.6066043381426792
Energy: 0.5034776852875722
Energy: 0.5666698210189353
Energy: 0.49699676884090976
Energy: 0.5666698210189353
Energy: 0.6360586207745741
Energy: 0.605436429498615
Energy: 0.5061429116651965
Energy: 0.605436429498615
Energy: 0.5055836976324739
Energy: 0.7123398984132605
Energy: 0.5364325391525334
Energy: 0.7123398984116717
Energy: 0.6040954272729638
Energy: 0.7132461002575906
Energy: 0.5061484831780166
Energy: 0.7132461002581202
Energy: 0.5075184452052495
Energy: 0.5153992491886014
Energy: 0.634751390078815
Energy: 0.5153992491875422
Energy: 0.49403036594917377
Energy: 0.504808083490637
Energy: 0.5041521810273457
Energy: 0.5048080834901074
Energy: 0.5055824266273717
Energy: 0.6044439882631786
Energy: 0.7326261063180762
Energy: 0.6044439878540098
Energy: 0.4956742237074663
Energy: 0.6047972009718071
Energy: 0.5229963027411131
Energy: 0.6047972009723366
Energy: 0.5075477159100894
Energy: 0.515573235956586
Energy: 0.8344765847510205
Energy: 0.5155732359576451
Energy: 0.4938607067820548
Energy: 0.508765699086924
Energy: 0.717476751324762
Energy: 0.5087656990848057
Energy: 0.5055737551452087
Energy: 0.6049737484961285
Energy: 0.9159673095050066
Energy: 0.604973748496658
Energy: 0.5784923966392005
Energy: 0.6051877623558193
Energy: 0.5229343694645525
Energy: 0.605187762357408
Energy: 0.5075585515115858
Energy: 0.5137884571294068
Energy: 0.8144711217763997
Energy: 0.5137884571299364
Energy: 0.6181604079037754
Energy: 0.5669853657269478
Energy: 0.5040914666915985
Energy: 0.5669853657253591
Energy: 0.5057071323534781
Energy: 0.6050123866347062
Energy: 0.7284371205460337
Energy: 0.6050123866336471
Energy: 0.6204718319078394
Energy: 0.6049590861502413
Energy: 0.5061747372126104
Energy: 0.60495908615183
Energy: 0.5077644397385115
Energy: 0.6198253697565526
Energy: 0.6059678533920857
Energy: 0.6198253697592003
Energy: 0.621998468956111
Energy: 0.5158505097422025
Energy: 0.5098773302968491
Energy: 0.5158505097411433
Energy: 0.5057297561488944
Energy: 0.504591859224505
Energy: 0.4936001935000733
Energy: 0.50459185923086
Energy: 0.8424516242186898
Energy: 0.6054290817751081
Energy: 0.5061932960914705
Energy: 0.6054290817322125
Energy: 0.524466089995473
Energy: 0.5238588492925562
Energy: 0.4947159266149533
Energy: 0.5238588492930859
Energy: 0.8138555074906263
Energy: 0.5153586933975873
Energy: 0.5099898732052084
Energy: 0.5153586933991761
Energy: 0.719224895963494
Energy: 0.5050463139577626
Energy: 0.494037167953558
Energy: 0.5050463139577626
Energy: 0.9122200955210582
Energy: 0.6047478444714769
Energy: 0.5062931203007065
Energy: 0.6047478444714769
Energy: 0.524652140968391
Energy: 0.5816442927399842
Energy: 0.49529230060064594
Energy: 0.5816442927389252
Energy: 0.7142017144055307
Energy: 0.5134387787377194
Energy: 0.5100420749046836
Energy: 0.5134387787371898
Energy: 0.505641406420925
Energy: 0.561951568080997
Energy: 0.6339779187977792
Energy: 0.5619515680820562
Energy: 0.7236423449678071
Energy: 0.5051322197181819
Energy: 0.50613762289342
Energy: 0.5051322197160637
Energy: 0.5076498672679026
Energy: 0.5815612912773899
Energy: 0.6205856695193435
Energy: 0.581561291278449
Energy: 0.49334837687725613
Energy: 0.6200880695193113
Energy: 0.5099723003582485
Energy: 0.6200880695156044
Energy: 0.4970013362385321
Energy: 0.5620439629874481
Energy: 0.6220411574898681
Energy: 0.5620439629848002
Energy: 0.4922432817033193
Energy: 0.5045103202249923
Energy: 0.508473294566508
Energy: 0.5045103201286578
Energy: 0.5077923606984551
Energy: 0.5810319506018299
Energy: 0.8510844751339567
Energy: 0.5810319505997115

minimum gb energy = 0.4922432817033193 eV
minimum distance =  2.64552789633107 Angstroms
sigma value = 85


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

Energy: 0.6714136203317888
Energy: 0.49077602702905493
Energy: 0.6183695449151846
Energy: 0.4907760270285956
Energy: 0.8393702940926286
Energy: 0.5658196196250469
Energy: 0.46444720583259963
Energy: 0.5658196196255062
Energy: 0.6473372239709136
Energy: 0.6476946732809477
Energy: 0.5193808123712444
Energy: 0.6476946732818663
Energy: 0.7569213120395814
Energy: 0.5659941044462286
Energy: 0.4645627816990123
Energy: 0.5659941044457694
Energy: 0.4852422875097816
Energy: 0.6334493582618556
Energy: 0.4483875503287268
Energy: 0.6334493582627743
Energy: 0.6759558870059185
Energy: 0.5685972101286293
Energy: 0.464228930150498
Energy: 0.5685972101286293
Energy: 0.46205050842348144
Energy: 0.6588201612385014
Energy: 0.5233592352101127
Energy: 0.6588201612385014
Energy: 0.6398115604805918
Energy: 0.565875439733964
Energy: 0.4647465424256158
Energy: 0.565875439733964
Energy: 0.46417085701134336
Energy: 0.6393544485089333
Energy: 0.5981744232375852
Energy: 0.6393544485089333
Energy: 0.5450769143802994
Energy: 0.659145852179595
Energy: 0.46262065487439347
Energy: 0.6591458521791356
Energy: 0.4651726802554618
Energy: 0.5688286242860612
Energy: 0.6763250393908983
Energy: 0.5688286242915729
Energy: 0.44847786997665406
Energy: 0.48538615656159984
Energy: 0.4858433008852064
Energy: 0.4853861565606813
Energy: 0.4640509773921242
Energy: 0.6397984212241363
Energy: 0.768456677955558
Energy: 0.6397984212245956
Energy: 0.451343545990448
Energy: 0.6477755971430302
Energy: 0.6478824813623054
Energy: 0.6477755971434895
Energy: 0.46506536286868017
Energy: 0.5658138508348168
Energy: 0.8925552887481919
Energy: 0.5658138508338982
Energy: 0.44848504301889863
Energy: 0.49078979941956435
Energy: 0.6722457212164678
Energy: 0.49078979942140155
Energy: 0.46406161058481804
Energy: 0.6392385059669908
Energy: 0.8924150044655644
Energy: 0.6392385059669908
Energy: 0.5188144282008954
Energy: 0.6475571023695784
Energy: 0.6479197978201399
Energy: 0.6475571023695784
Energy: 0.4643692154642568
Energy: 0.5660977032222254
Energy: 0.8118014940293872
Energy: 0.5660977032231441
Energy: 0.5571611399608918
Energy: 0.49062356109833066
Energy: 0.48578996318532686
Energy: 0.49062356109879
Energy: 0.4641703136811427
Energy: 0.6396993510209099
Energy: 0.7265170129213443
Energy: 0.6396993510209099
Energy: 0.5593025749399955
Energy: 0.5657926130323512
Energy: 0.462636925329161
Energy: 0.5657926130318919
Energy: 0.4644041623890071
Energy: 0.5657752531561555
Energy: 0.6396090902822299
Energy: 0.5657752531561555
Energy: 0.5609108301026096
Energy: 0.5033014868783953
Energy: 0.46467945134829425
Energy: 0.5033014868783953
Energy: 0.46431357012908825
Energy: 0.48503712521058995
Energy: 0.5450775374212918
Energy: 0.4850371252115085
Energy: 0.748662444482192
Energy: 0.5659010555500638
Energy: 0.464044943905187
Energy: 0.5659010555505231
Energy: 0.48726970059898966
Energy: 0.48523955269178565
Energy: 0.44867443072653507
Energy: 0.48523955269270425
Energy: 0.7496758721288805
Energy: 0.5032030543480376
Energy: 0.4646853782231656
Energy: 0.5032030543494156
Energy: 0.6496115632559399
Energy: 0.5659562745880999
Energy: 0.45108368138931487
Energy: 0.5659562745871813
Energy: 0.892114603044969
Energy: 0.565723865008476
Energy: 0.46510751455702337
Energy: 0.565723865008476
Energy: 0.6728648901980819
Energy: 0.49082297600718117
Energy: 0.4487192520502401
Energy: 0.49082297667700947
Energy: 0.8197688099032628
Energy: 0.5032846044670773
Energy: 0.4647275758327397
Energy: 0.5032846044661587
Energy: 0.6495442159054334
Energy: 0.5659367225460342
Energy: 0.4515934631718494
Energy: 0.5659367225451155
Energy: 0.8116443415748245
Energy: 0.5656836942594557
Energy: 0.4650196623850604
Energy: 0.5656836942603745
Energy: 0.48739574151555104
Energy: 0.48521937504375956
Energy: 0.557248023257043
Energy: 0.485219375042841
Energy: 0.640129962358234
Energy: 0.5002459033625709
Energy: 0.4642085422886841
Energy: 0.5002459033621325
Energy: 0.46407001410614585
Energy: 0.5657980529739122
Energy: 0.5589669442589584
Energy: 0.5657980529748308
Energy: 0.6397588483269844
Energy: 0.5657697509384814
Energy: 0.46411196164953206
Energy: 0.5657697509384814
Energy: 0.46438862295952293
Energy: 0.4851488485576492
Energy: 0.5605560166360799
Energy: 0.4851488485576492
Energy: 0.4492713710648962
Energy: 0.593775841407749
Energy: 0.462014406000305
Energy: 0.5937758414086675
Energy: 0.46404732320648134
Energy: 0.5658446155353443
Energy: 0.7459587081573243
Energy: 0.5658446155353443
Energy: 0.44727448987021384
Energy: 0.4851536375276705
Energy: 0.485232900016621
Energy: 0.48515363752858903
Energy: 0.46427155349479005
Energy: 0.4851997458871231
Energy: 0.749599609166554
Energy: 0.4851997458871231

minimum gb energy = 0.44727448987021384 eV
minimum distance =  2.65695208941942 Angstroms
sigma value = 113


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

Energy: 0.011720671991866714
Energy: 0.012111718871939908
Energy: 0.6227733557352395
Energy: 0.012111718871233733
Energy: 0.6225024045613665
Energy: 0.2905114082282983
Energy: 0.29092250495335387
Energy: 0.29051140822865146
Energy: 0.011720671991866714
Energy: 0.012111718871939908
Energy: 0.6227732715342771
Energy: 0.012111718871233733
Energy: 0.622502404561033
Energy: 0.29051140822865146
Energy: 0.29092250495094113
Energy: 0.2905114082282983
Energy: 0.011720671991866714
Energy: 0.012111718871939908
Energy: 0.6227731496836122
Energy: 0.012111718871233733
Energy: 0.622502404561033
Energy: 0.29051140822933796
Energy: 0.29092250495335387
Energy: 0.2905114082279452

minimum gb energy = 0.011720671991866714 eV
minimum distance =  2.85984085458652 Angstroms
sigma value = 1