Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.605663573741914
cohesive_energy=4.1815964231097436
mass=55.845
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: 0.016243540263985414
Energy: 0.016622544188775002
Energy: 0.09745683062665608
Energy: 0.016622544188775002
Energy: 0.016622544188775002
Energy: 0.9343341949847482
Energy: 0.016622544188775002
Energy: 0.9343341949847482
Energy: 0.09745683062543016
Energy: 0.016622544188775002
Energy: 0.016243540263985414
Energy: 0.016622544188775002
Energy: 0.016622544188775002
Energy: 0.9343341949847482
Energy: 0.016622544188775002
Energy: 0.9343341949847482

minimum gb energy = 0.016243540263985414 eV
minimum distance =  2.43348388602658 Angstroms
sigma value = 1


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

Energy: 0.6654966719499705
Energy: 0.9050416586251409
Energy: 0.6235668330054229
Energy: 0.905041658622847
Energy: 0.7051774515986139
Energy: 0.9025697285764565
Energy: 0.7053498167640214
Energy: 0.9025697285749271
Energy: 0.6005944315031302
Energy: 0.8973658829473681
Energy: 0.6332802818220482
Energy: 0.8973658829458389
Energy: 0.6918638632682526
Energy: 0.9156688961710242
Energy: 0.7027325945253042
Energy: 0.9156688961717888
Energy: 0.6220246757601615
Energy: 0.9073497445933836
Energy: 0.6734515787347725
Energy: 0.9073497446063822
Energy: 0.6738868466721558
Energy: 0.8361870713488997
Energy: 0.6891019697713099
Energy: 0.8361870689987282
Energy: 0.7054544261765865
Energy: 0.8975729793065408
Energy: 0.6742846141544435
Energy: 0.8975729793073054
Energy: 0.6184266118913484
Energy: 0.9052329341280014
Energy: 0.6709728533292685
Energy: 0.9052329341287662
Energy: 0.7029764236117796
Energy: 0.6726688267956192
Energy: 0.6909841233630458
Energy: 0.6726688267933254
Energy: 0.6941749685573336
Energy: 0.8959927048250257
Energy: 0.5994989650554274
Energy: 0.8959927048257902
Energy: 0.6956644547145716
Energy: 0.8297942058443797
Energy: 0.7037108987180261
Energy: 0.8297942058344395
Energy: 0.6623931610858848
Energy: 0.9051608096393191
Energy: 0.7066378956924452
Energy: 0.9051608096431422
Energy: 0.7052542610346568
Energy: 0.8976805982693195
Energy: 0.7062447726291181
Energy: 0.8976805982693195
Energy: 0.6342244215460108
Energy: 0.9007210694119142
Energy: 0.699130381481452
Energy: 0.9007210694103849
Energy: 0.650507683933889
Energy: 0.9069496817994369
Energy: 0.7168219911503744
Energy: 0.9069496818009662
Energy: 0.6511236991556733
Energy: 0.9067565842259226
Energy: 0.7120956361754688
Energy: 0.9067565842282165
Energy: 0.6328571850915375
Energy: 0.8976658439685583
Energy: 0.6492906426682453
Energy: 0.8976658439700875
Energy: 0.704225595543837
Energy: 0.9003125936316495
Energy: 0.7073122870415557
Energy: 0.9003125936308848
Energy: 0.6101151091436458
Energy: 0.904951662610923
Energy: 0.7901684500277454
Energy: 0.904951662610923
Energy: 0.7054494599012445
Energy: 0.7042273367747048
Energy: 0.7040504016209171
Energy: 0.7042273367716464
Energy: 0.6894990457784117
Energy: 0.8964246752103103
Energy: 0.6005349314885084
Energy: 0.8964246752110749
Energy: 0.7031344004279624
Energy: 0.8393324605085591
Energy: 0.6898470680496911
Energy: 0.8393324604963253
Energy: 0.6998874351904386
Energy: 0.9082964178208767
Energy: 0.659275324375391
Energy: 0.9082964178216412
Energy: 0.6865627334668957
Energy: 0.8976001329947043
Energy: 0.6763149280673354
Energy: 0.8976001329947043
Energy: 0.676248851338175
Energy: 0.9024564454041746
Energy: 0.6671898197843773
Energy: 0.9024564454034099
Energy: 0.6145577332144718
Energy: 0.905899306460324
Energy: 0.6162098629812376
Energy: 0.9058993064587949
Energy: 0.6901863206368558
Energy: 0.9025883119330282
Energy: 0.7020942313820425
Energy: 0.9025883119337929
Energy: 0.6009842610545545
Energy: 0.898200466854086
Energy: 0.6337061474758562
Energy: 0.8982004668533214
Energy: 0.7059933171518734
Energy: 0.9019866825244942
Energy: 0.7006103088300727
Energy: 0.9019866825206709
Energy: 0.6546408299230886
Energy: 0.9054491228889825
Energy: 0.6633687272193669
Energy: 0.9054491228889825
Energy: 0.7064017984968524
Energy: 0.9063042477883443
Energy: 0.7049307360558631
Energy: 0.9063042477875798
Energy: 0.6976809751366961
Energy: 0.8963901212652212
Energy: 0.633933962901863
Energy: 0.8963901212644565
Energy: 0.618090453065334
Energy: 0.9147326995222359
Energy: 0.7054365519538799
Energy: 0.9147326995207067

minimum gb energy = 0.5994989650554274 eV
minimum distance =  2.31973921682892 Angstroms
sigma value = 1


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

Energy: 0.7134566231216216
Energy: 0.9804360612435297
Energy: 0.6749192287580749
Energy: 0.9804360612444014
Energy: 0.7468472669571019
Energy: 0.9005166068857813
Energy: 0.7191597617071952
Energy: 0.9005166068849095
Energy: 0.6588230788083297
Energy: 0.980134876134474
Energy: 0.679535168582619
Energy: 0.9801348761327305
Energy: 0.7456293502203379
Energy: 0.9693643682681303
Energy: 0.7194463413826653
Energy: 0.9693643682663868
Energy: 0.748340875227936
Energy: 0.966949534794918
Energy: 0.7253046512169523
Energy: 0.9669495347940463
Energy: 0.7410805871159416
Energy: 0.966820522268384
Energy: 0.7235971464338277
Energy: 0.9668205222675121
Energy: 0.7465550099605756
Energy: 0.896674901059054
Energy: 0.7200664214852838
Energy: 0.8966749010241819
Energy: 0.6572340362280934
Energy: 0.9786507821120216
Energy: 0.7382571780735921
Energy: 0.9786507821085344
Energy: 0.7469326683187121
Energy: 0.7100136151686866
Energy: 0.6818460217579124
Energy: 0.7100136151730456
Energy: 0.7615192979227179
Energy: 0.9794602598515589
Energy: 0.6461398598325073
Energy: 0.9794602598498153
Energy: 0.7475253517898134
Energy: 0.9667155665736971
Energy: 0.7194325740463378
Energy: 0.9667155665658508
Energy: 0.7034630245256615
Energy: 0.9736037574252355
Energy: 0.7003364757970917
Energy: 0.9736037574226202
Energy: 0.7021315325061143
Energy: 0.9668652994368224
Energy: 0.7230888625566921
Energy: 0.9668652994315917
Energy: 0.7018248954391495
Energy: 0.9677352758183861
Energy: 0.7103244609648721
Energy: 0.9677352758166425
Energy: 0.7036163351340311
Energy: 0.9726587768280348
Energy: 0.6802428186040566
Energy: 0.9726587768219322
Energy: 0.7476157170924232
Energy: 0.9679287922571306
Energy: 0.7180949383999893
Energy: 0.9679287922536434
Energy: 0.7618718128411409
Energy: 0.9793515914335331
Energy: 0.6692768046060614
Energy: 0.9793515914317895
Energy: 0.747072493859191
Energy: 0.7064283020615161
Energy: 0.7539612780800965
Energy: 0.7064283020676186
Energy: 0.6572777259189622
Energy: 0.9789545742385384
Energy: 0.7257886967373914
Energy: 0.9789545742420257
Energy: 0.7462579213912409
Energy: 0.8874762071736761
Energy: 0.724557390814829
Energy: 0.8874762071710608
Energy: 0.7364377781861854
Energy: 0.9668145369154243
Energy: 0.7106500830378351
Energy: 0.9668145369154243
Energy: 0.745751128684233
Energy: 0.9663870636387991
Energy: 0.7094110856362755
Energy: 0.966387063639671
Energy: 0.7470021053237388
Energy: 0.9649914312019543
Energy: 0.7194340086091741
Energy: 0.9649914312028262
Energy: 0.6588081108470583
Energy: 0.9799216829042553
Energy: 0.6824902151035532
Energy: 0.9799216829042553
Energy: 0.7459623620119132
Energy: 0.8945558160748704
Energy: 0.7186955385406175
Energy: 0.8945558160844603
Energy: 0.7134570324295472
Energy: 0.9804360612470168
Energy: 0.687830576077286
Energy: 0.9804360612496323
Energy: 0.7468472669588456
Energy: 0.9005166068910121
Energy: 0.7191597617071952
Energy: 0.9005166068901403
Energy: 0.6588230788074578
Energy: 0.980134876134474
Energy: 0.7219615890305687
Energy: 0.9801348761336022
Energy: 0.7456293502185942
Energy: 0.9693643682681303
Energy: 0.7279409652645633
Energy: 0.9693643682672586

minimum gb energy = 0.6461398598325073 eV
minimum distance =  2.32503902040284 Angstroms
sigma value = 25


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

Energy: 0.8295983480379687
Energy: 1.0488626550610876
Energy: 0.7396313053079262
Energy: 1.0488626550610876
Energy: 0.7551074964473032
Energy: 1.042096758262868
Energy: 0.7593546063766433
Energy: 1.042096758262868
Energy: 0.7301771308082335
Energy: 1.0693371890913883
Energy: 0.754705129501233
Energy: 1.0693371890913883
Energy: 0.7339209246276613
Energy: 1.0542467709609897
Energy: 0.7573499930994598
Energy: 1.0542467709620031
Energy: 0.7564497450117059
Energy: 1.0499607779647384
Energy: 0.7705003757662677
Energy: 1.0499607779657516
Energy: 0.7790819750538437
Energy: 1.0698510963335153
Energy: 0.7544532380259298
Energy: 1.0698510963335153
Energy: 0.7600541217850915
Energy: 0.7612064394033959
Energy: 0.7819252465712431
Energy: 0.7612064394125169
Energy: 0.7624886575090419
Energy: 1.0488945936022076
Energy: 0.7589448254628339
Energy: 1.0488945936011942
Energy: 0.7829538971979987
Energy: 0.9138043207147638
Energy: 0.760421286995432
Energy: 0.9138043207208445
Energy: 0.7548306675184961
Energy: 1.0700748596481353
Energy: 0.7450382114653364
Energy: 1.0700748596481353
Energy: 0.7317044723224069
Energy: 1.0504698806588082
Energy: 0.7584943899443378
Energy: 1.0504698806588082
Energy: 0.7583369408666552
Energy: 1.0496862622155407
Energy: 0.7582691141618909
Energy: 1.0496862622145269
Energy: 0.7530766251994218
Energy: 1.0568789005400632
Energy: 0.7420393826058929
Energy: 1.056878900532969
Energy: 0.7818782113462818
Energy: 1.0379064389857826
Energy: 0.75458656079786
Energy: 1.0379064389857826
Energy: 0.7376156651288236
Energy: 1.048912058829123
Energy: 0.7597395597902006
Energy: 1.048912058829123
Energy: 0.7596611821400221
Energy: 0.7608095761678665
Energy: 0.7548657303656023
Energy: 0.7608095761496242
Energy: 0.7365522380537776
Energy: 1.069566272170708
Energy: 0.7321794761505598
Energy: 1.0695662721717214
Energy: 0.7565342828084909
Energy: 1.0498148547683308
Energy: 0.7320834250540375
Energy: 1.0498148547673172
Energy: 0.7573215386530037
Energy: 1.0545859114472222
Energy: 0.757053475326647
Energy: 1.0545859114472222
Energy: 0.7531777243249947
Energy: 1.0697482012840858
Energy: 0.7546194808420977
Energy: 1.0697482012850994
Energy: 0.7830108582035927
Energy: 1.0399723595824737
Energy: 0.7600285936839457
Energy: 1.0399723595824737
Energy: 0.7794419804930285
Energy: 1.048592412997596
Energy: 0.7597517706578016
Energy: 1.0485924129986093
Energy: 0.7606576837361441
Energy: 1.047477520884037
Energy: 0.7591590802409114
Energy: 1.0474775208830236
Energy: 0.7308731481962292
Energy: 1.0695417998986028
Energy: 0.7565387968581834
Energy: 1.0695417998975894
Energy: 0.759013850510792
Energy: 0.9208177895929308
Energy: 0.7573607873718232
Energy: 0.9208177896526785

minimum gb energy = 0.7301771308082335 eV
minimum distance =  2.33347761025366 Angstroms
sigma value = 9


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

Energy: 1.0798776696131707
Energy: 1.1453401212955905
Energy: 0.80133651202178
Energy: 1.1453401212955905
Energy: 0.9190683327166669
Energy: 1.0558789915612616
Energy: 0.8931356154387979
Energy: 1.0558789916494618
Energy: 0.8316375677581231
Energy: 1.1400979228031183
Energy: 0.8892134387230167
Energy: 1.1400979228055361
Energy: 0.9228697528243849
Energy: 1.158459513533918
Energy: 0.865470726901373
Energy: 1.158459513536336
Energy: 0.9000813627181424
Energy: 1.0532131243898881
Energy: 0.905120299063937
Energy: 1.053213124391097
Energy: 0.8303121724581802
Energy: 1.1375912162430566
Energy: 0.8577475962713283
Energy: 1.1375912162418476
Energy: 0.9209562240329648
Energy: 0.8644828545338487
Energy: 0.8677617951023809
Energy: 0.8644828545350576
Energy: 0.8422299001337301
Energy: 1.143195756831354
Energy: 0.8610690200245914
Energy: 1.143195756832563
Energy: 0.9254335584963479
Energy: 1.0533975284833106
Energy: 0.8981952233824212
Energy: 1.0533975284893555
Energy: 0.9216952350778007
Energy: 1.1386986249225972
Energy: 0.864827366034928
Energy: 1.1386986249225972
Energy: 0.8786645852617498
Energy: 1.1344273735087047
Energy: 0.897513856581713
Energy: 1.1344273735099135
Energy: 0.9233409359624396
Energy: 1.140468141843313
Energy: 0.8643613781175641
Energy: 1.1404681418445217
Energy: 0.8320194224101742
Energy: 1.1388265584354904
Energy: 0.8178317603959803
Energy: 1.138826558431863
Energy: 0.9136883369735299
Energy: 0.9397121669590177
Energy: 0.8991798475313264
Energy: 0.9397121669807791
Energy: 0.8315831698051799
Energy: 1.1409502524717734
Energy: 0.8175778199133698
Energy: 1.1409502524657285
Energy: 0.9226538004262179
Energy: 1.1402746938088941
Energy: 0.8650791877566445
Energy: 1.140274693816148
Energy: 0.8787300907888635
Energy: 1.1342829569479564
Energy: 0.8975584736593829
Energy: 1.1342829569515833
Energy: 0.920096172608725
Energy: 1.1436921125658086
Energy: 0.8655463395637631
Energy: 1.1436921125694353
Energy: 0.9274643393904742
Energy: 1.0545988815433758
Energy: 0.8914133632366303
Energy: 1.054598881537331
Energy: 0.8448530211691643
Energy: 1.1380046688424548
Energy: 0.8611742413393938
Energy: 1.1380046688436638
Energy: 0.923555437349718
Energy: 0.8648054598586689
Energy: 0.8679470795957711
Energy: 0.8648054598405617

minimum gb energy = 0.80133651202178 eV
minimum distance =  2.35960971764275 Angstroms
sigma value = 25


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

Energy: 0.9622507735611082
Energy: 1.2384276724745475
Energy: 0.9560635919986159
Energy: 1.2384276724760428
Energy: 0.9482555344690601
Energy: 1.1198190207721694
Energy: 0.9765155929090227
Energy: 1.1198190207243248
Energy: 0.9372450894478291
Energy: 1.2511569876322017
Energy: 0.9359327591324073
Energy: 1.2511569876322017
Energy: 0.9645016880266186
Energy: 1.111018375281255
Energy: 1.001521472649413
Energy: 1.1110183752887306
Energy: 0.9882469226931822
Energy: 0.9477465702565364
Energy: 0.9591732551977309
Energy: 0.9477465702595267
Energy: 0.9405876654247682
Energy: 1.250668345084221
Energy: 0.9399457874590126
Energy: 1.2506683450827263
Energy: 0.9874972676199675
Energy: 1.1136127408566878
Energy: 0.9357319913182564
Energy: 1.1136127408566878
Energy: 1.003358473697937
Energy: 1.2364745568657292
Energy: 0.9667775342104631
Energy: 1.2364745568672244
Energy: 0.9359992488282405
Energy: 1.1121521020358827
Energy: 0.9505202564458266
Energy: 1.1121521020358827
Energy: 1.0252528667369378
Energy: 1.1283455432430631
Energy: 0.940517801266347
Energy: 1.1283455432430631
Energy: 0.9467970710335304
Energy: 1.2416391052714917
Energy: 1.016299831511458
Energy: 1.2416391052714917
Energy: 0.9415866647986872
Energy: 0.9722689956569907
Energy: 1.027113856314042
Energy: 0.9722689954881089
Energy: 0.978688561988191
Energy: 1.161350828567982
Energy: 0.9362781882446323
Energy: 1.1613508285739627
Energy: 0.938183012621857
Energy: 1.1334059825962757
Energy: 0.9669648996753254
Energy: 1.1334059825962757
Energy: 0.9782269836277441
Energy: 1.2384128941841197
Energy: 0.9896463568721664
Energy: 1.2384128941841197
Energy: 0.9475200909035117
Energy: 1.128094704418151
Energy: 0.9405845364568781
Energy: 1.1280947044256266
Energy: 0.9361370154518756
Energy: 1.0158830290798813
Energy: 1.0325439248800319
Energy: 1.015883029078386

minimum gb energy = 0.9357319913182564 eV
minimum distance =  2.35422636744916 Angstroms
sigma value = 17


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

Energy: 1.118527382762879
Energy: 1.2026885529044538
Energy: 1.0341612552269703
Energy: 1.2026885529053006
Energy: 1.0251626081331915
Energy: 1.0225490102978274
Energy: 0.9633093586474943
Energy: 1.0225490102918997
Energy: 1.0145594268189913
Energy: 1.1925221094307954
Energy: 0.962923002692542
Energy: 1.192522109431642
Energy: 0.9559204057531165
Energy: 1.0491186769351963
Energy: 0.9942651689067982
Energy: 1.049121491571028
Energy: 1.046822976501977
Energy: 1.1047874095103059
Energy: 0.9577508539831552
Energy: 1.1047873922260991
Energy: 0.9650787165568284
Energy: 0.9817379067568187
Energy: 1.0104607100919067
Energy: 0.9817379067957316
Energy: 0.9581949848763816
Energy: 1.1216107190297715
Energy: 0.9723676250586674
Energy: 1.1216107190153761
Energy: 1.0048279938863156
Energy: 1.198581491551969
Energy: 0.972706883633236
Energy: 1.1985814915502755
Energy: 0.9691277737199538
Energy: 1.2044048817293815
Energy: 1.0372926578917474
Energy: 1.2044048817285349
Energy: 1.0798530975132938
Energy: 1.1380983271393514
Energy: 0.9617106112428525
Energy: 1.1380983272375382
Energy: 0.9574290525860475
Energy: 1.202740172237864
Energy: 1.0177578224301198
Energy: 1.2027401722370168
Energy: 0.9712186140023729
Energy: 1.1153623073294767
Energy: 0.9708617693014815
Energy: 1.1153623072990313
Energy: 1.0599170572397085
Energy: 1.2050065764749984
Energy: 0.9825502040557765
Energy: 1.2050065764749984
Energy: 0.9586621500181277
Energy: 1.0601350434906878
Energy: 1.0280516161001807
Energy: 1.0601350433865735
Energy: 0.9995099452270136
Energy: 1.1050363998337798
Energy: 0.9704039901267086
Energy: 1.1050363997753525
Energy: 1.021421479533696
Energy: 1.1950085281185572
Energy: 1.005086834748508
Energy: 1.1950085281397265
Energy: 0.9634086927640242
Energy: 1.026392488515245
Energy: 1.0348927619144739
Energy: 1.026392484741996
Energy: 1.021527373070883
Energy: 1.1962257562259186
Energy: 0.9664619595339093
Energy: 1.1962257562267655
Energy: 0.984580122808839
Energy: 1.1246579108307277
Energy: 1.028283463555012
Energy: 1.124657910829881
Energy: 0.9646631540845836
Energy: 1.159830819039015
Energy: 0.9565569962606489
Energy: 1.1598308194647482
Energy: 0.9891687876551786
Energy: 1.192899203670368
Energy: 1.014380564799884
Energy: 1.192899203670368
Energy: 0.9653421980169411
Energy: 1.0328567986449364
Energy: 1.0747463901752523
Energy: 1.0324151975740568
Energy: 1.0137009720811614
Energy: 1.1981559953861967
Energy: 0.9542356442833007
Energy: 1.1981559953828096
Energy: 0.9755790327503351
Energy: 1.114491818798054
Energy: 1.0160933823138403
Energy: 1.1144918177739231
Energy: 0.9961817393518745
Energy: 1.1900269855052372
Energy: 1.015443609436329
Energy: 1.1900269855077772
Energy: 1.0226411657289152
Energy: 1.2011745645867022
Energy: 0.9547665283728847
Energy: 1.2011745645850471
Energy: 0.9550053542670871
Energy: 1.0454341747966998
Energy: 1.0957717682109929
Energy: 1.0454341750692446
Energy: 1.012034266355667
Energy: 0.9677846639507786
Energy: 1.0161454398698395
Energy: 0.9677846640599735
Energy: 1.0629710057357273
Energy: 1.0533331729345579
Energy: 0.9576884287378881
Energy: 1.0533407849638807
Energy: 0.9701057647960246
Energy: 1.0378091693678435
Energy: 1.0169361824250887
Energy: 1.0378091697157121

minimum gb energy = 0.9542356442833007 eV
minimum distance =  2.34194257083499 Angstroms
sigma value = 53


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

Energy: 1.069566902773781
Energy: 0.989735782795936
Energy: 1.076950387224687
Energy: 0.9897358290973203
Energy: 1.0588122839984788
Energy: 1.0287016487040785
Energy: 0.9641835045875141
Energy: 1.0287016487021292
Energy: 0.9466897975456416
Energy: 0.9895476807144868
Energy: 0.9829334523424913
Energy: 0.9895476808177613
Energy: 0.9460313807036008
Energy: 0.9452519886857511
Energy: 0.9826564210427526
Energy: 0.9452519886915992
Energy: 1.114338159917603
Energy: 0.96352655442856
Energy: 0.9649768048590538
Energy: 0.9635265545220875
Energy: 0.9451441872860686
Energy: 0.9507966617173924
Energy: 1.0252065604697747
Energy: 0.9507966617329877
Energy: 0.9794121065129069
Energy: 1.0287016487021292
Energy: 0.9871439582335267
Energy: 1.0287016487021292
Energy: 0.9466897975475911
Energy: 0.9895476808060648
Energy: 0.98293345234639
Energy: 0.9895476807028346
Energy: 0.9460313807055502
Energy: 0.9452519886896499
Energy: 1.0001132729981796
Energy: 0.9452519886915992
Energy: 1.1143381599137043
Energy: 1.0033173935710955
Energy: 0.9630613993932974
Energy: 1.0033173935866466
Energy: 1.06956690277768
Energy: 0.9897365354846016
Energy: 1.0769503873844946
Energy: 0.9897363852847547
Energy: 1.0588122839965737
Energy: 1.0287016487021292
Energy: 0.9986314965352485
Energy: 1.0287016487021292
Energy: 0.9466897975475911
Energy: 0.9895476808450531
Energy: 0.9829334523444407
Energy: 0.9895476807378797

minimum gb energy = 0.9451441872860686 eV
minimum distance =  2.35167070905524 Angstroms
sigma value = 9


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

Energy: 1.0033443914676885
Energy: 1.2472246800958335
Energy: 1.1574804694795289
Energy: 1.2472246801037703
Energy: 1.042168521511694
Energy: 1.0135464008354713
Energy: 0.9748801582661721
Energy: 1.0135464008643316
Energy: 0.9645374662200716
Energy: 1.0639829245435501
Energy: 0.9710603280562868
Energy: 1.0639829245421073
Energy: 0.9964508263719082
Energy: 1.0683980774370228
Energy: 0.9705729403484813
Energy: 1.0683980775560065
Energy: 1.056388655782031
Energy: 1.0515946496886819
Energy: 0.9675135668579243
Energy: 1.0515946496872388
Energy: 0.9928332357788421
Energy: 1.052270750020631
Energy: 1.0016098775312465
Energy: 1.0522707503992268
Energy: 1.1584698354633605
Energy: 1.0244558374616315
Energy: 0.9691146978922469
Energy: 1.0244558374587454
Energy: 0.9724768562629893
Energy: 1.0685651373181129
Energy: 1.0183209168157314
Energy: 1.0685651324788799
Energy: 0.9655766131978756
Energy: 1.0802801834422344
Energy: 0.9723535254817252
Energy: 1.080280183445842
Energy: 0.9656582584228783
Energy: 1.0464190748314752
Energy: 0.9701958020552023
Energy: 1.0464190748350828
Energy: 0.9710641168152457
Energy: 1.0659337765792962
Energy: 1.12014588121761
Energy: 1.065933763309416
Energy: 1.027923165645153
Energy: 1.2192032142029985
Energy: 0.9649565768174813
Energy: 1.219203169795044
Energy: 0.9654957263888603
Energy: 1.0002719718211295
Energy: 1.0834993471616423
Energy: 1.0002735316980613
Energy: 1.0016005784933708
Energy: 1.179982997153304
Energy: 0.9917278324762738
Energy: 1.1799829971597977
Energy: 0.9709356512712233
Energy: 1.0521641679742912
Energy: 1.0093112367785857
Energy: 1.0521693151356737
Energy: 0.9660329891796047
Energy: 1.2744092365412738
Energy: 0.9958664980611803
Energy: 1.2744092365405524
Energy: 0.9949962054856218
Energy: 1.0527115129470788
Energy: 0.9715483649272043
Energy: 1.0526412762259139
Energy: 0.9721043789859422
Energy: 1.028056440927633
Energy: 1.0574593429413244
Energy: 1.0280564588001562
Energy: 1.0857501543234243
Energy: 1.0046878951787568
Energy: 0.9903915523973089
Energy: 1.0046878904831043
Energy: 0.9658636073361924
Energy: 1.0235543723323424
Energy: 1.0124310147667994
Energy: 1.0235543772487112
Energy: 1.0044893909990142
Energy: 1.2541550077191037
Energy: 0.9990199488982449
Energy: 1.254155007718382
Energy: 1.011022585037989
Energy: 1.0484944243551557
Energy: 0.9646329842524916
Energy: 1.0484944243551557
Energy: 0.9722532049371636
Energy: 1.1448594538598666
Energy: 0.965904448871998
Energy: 1.144859453867082
Energy: 1.136536284911958
Energy: 1.0148745335355505
Energy: 0.9713124327357144
Energy: 1.0148745250088769
Energy: 0.9714061368795524
Energy: 1.219449569823984
Energy: 1.1517421908932615
Energy: 1.2194495698311334
Energy: 0.9862151766261095
Energy: 1.0356216842699102
Energy: 0.964321482654498
Energy: 1.0356216842699102
Energy: 1.0180304463055092
Energy: 1.1568711083438072
Energy: 0.9960964097984514
Energy: 1.1568711083322634
Energy: 0.9829920492565475
Energy: 1.0767564198857653
Energy: 0.9960824942670838
Energy: 1.07675641971339
Energy: 0.9925365560939587
Energy: 1.0302665067760663
Energy: 0.9632681459655708
Energy: 1.03026650681857
Energy: 0.9717898511767369
Energy: 1.1076501112443595
Energy: 1.155842821311455
Energy: 1.1076505204733336
Energy: 1.1095292576259785
Energy: 1.2454068755541314
Energy: 0.9678330157442826
Energy: 1.2454068755555745
Energy: 0.9726678445958782
Energy: 1.0225822930299189
Energy: 0.9648442127211972
Energy: 1.0225822930277542
Energy: 0.9720390582084522
Energy: 1.0508550305415931
Energy: 0.9659134711569509
Energy: 1.0508550305040747
Energy: 1.0073501712551656
Energy: 1.0669083253907312
Energy: 0.9962659424714886
Energy: 1.0669083253669214
Energy: 0.9685148119258717
Energy: 1.0729075390274025
Energy: 1.158599623388618
Energy: 1.0729075390274025

minimum gb energy = 0.9632681459655708 eV
minimum distance =  2.3561365871825 Angstroms
sigma value = 73


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

Energy: 1.0508152694453516
Energy: 1.063016015217867
Energy: 1.1429616323482783
Energy: 1.063015776113481
Energy: 0.9984672501489663
Energy: 1.0313929563789526
Energy: 0.9550403155537488
Energy: 1.031392956423571
Energy: 0.9415576435780733
Energy: 1.1872765494503765
Energy: 0.9526553896311313
Energy: 1.1872765494744157
Energy: 0.9292879993363081
Energy: 1.064163164594693
Energy: 0.9658800803038151
Energy: 1.064163164680522
Energy: 0.9625680924208563
Energy: 1.036119735903628
Energy: 0.9751627491982198
Energy: 1.0361197358921808
Energy: 0.9597945986743258
Energy: 1.1824633262974442
Energy: 1.033712024826186
Energy: 1.1824633264038527
Energy: 1.1633748161304425
Energy: 1.0446751717915401
Energy: 0.9490290548979642
Energy: 1.0446751717915401
Energy: 0.9429787776476506
Energy: 0.9673532288391627
Energy: 1.1129773785398938
Energy: 0.9673531319712366
Energy: 1.093996436422276
Energy: 0.9506482565635543
Energy: 0.9587267554094226
Energy: 0.950648258829114
Energy: 0.9433143847013027
Energy: 1.0131678689821724
Energy: 0.9448041027334885
Energy: 1.0131678689810277
Energy: 0.9442079646745306
Energy: 0.9620972971105227
Energy: 1.0489500262268971
Energy: 0.9620972970327067
Energy: 1.0467103559021445
Energy: 1.0483954690914712
Energy: 0.9319886748997582
Energy: 1.0483954705755416
Energy: 0.9607376379360055
Energy: 1.0160590188982306
Energy: 1.0463653128094101
Energy: 1.0160590188982306
Energy: 1.0755009607056019
Energy: 1.1197157797899158
Energy: 0.9600204685618344
Energy: 1.1197157797807578
Energy: 0.9374163557035918
Energy: 1.061488373111095
Energy: 1.0745652888846517
Energy: 1.0614883711899181
Energy: 1.053287676993454
Energy: 0.9672693356431703
Energy: 0.9421964931666544
Energy: 0.9672693356568811
Energy: 0.9890048667065542
Energy: 1.2179993100419266
Energy: 0.94184782542391
Energy: 1.2179993100396371
Energy: 0.9900094774200606
Energy: 1.056413083283301
Energy: 0.9437934726141304
Energy: 1.056413081488019
Energy: 1.0214121047871558
Energy: 0.980879427625323
Energy: 0.941011781281528
Energy: 0.9808794299835542
Energy: 0.9551828706813423
Energy: 1.0115296536667628
Energy: 1.1670936152011022
Energy: 1.0115171685072666
Energy: 1.0412743600712226
Energy: 1.1850248071884526
Energy: 0.9596211370437212
Energy: 1.1850248071667029
Energy: 0.9674539790692105
Energy: 1.0334362237339294
Energy: 0.9705181764425079
Energy: 1.033436223736219

minimum gb energy = 0.9292879993363081 eV
minimum distance =  2.33788076741951 Angstroms
sigma value = 7


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

Energy: 1.0010193486007732
Energy: 1.001444862124602
Energy: 1.1961492123581812
Energy: 1.0014448621424101
Energy: 1.1487970583236364
Energy: 1.011352027481448
Energy: 0.9520496662616129
Energy: 1.0113520275307875
Energy: 0.9419387095772438
Energy: 1.0993866195349546
Energy: 0.943628898082397
Energy: 1.0993866206887146
Energy: 0.9430167402200867
Energy: 1.0300935425571474
Energy: 0.9515623539838339
Energy: 1.0300935425595759
Energy: 0.9422283675150326
Energy: 1.0198548358667148
Energy: 0.9508276305935042
Energy: 1.0198548358699524
Energy: 0.9427120599728801
Energy: 0.9803304875412525
Energy: 1.0835426198614186
Energy: 0.9803304817036497
Energy: 1.0615504184069975
Energy: 1.0639195182992898
Energy: 0.9462434561175772
Energy: 1.0639195186075427
Energy: 0.9438163821043267
Energy: 0.9984500298569597
Energy: 1.061294996388532
Energy: 0.9984500310746661
Energy: 1.0800684762126642
Energy: 1.0107209305617042
Energy: 0.9542562271577875
Energy: 1.0107209305568474
Energy: 0.9440272312658924
Energy: 1.0319051582166894
Energy: 1.0324406178588306
Energy: 1.0319051582207366
Energy: 0.9585109094841612
Energy: 1.093841246263678
Energy: 0.9476093021751727
Energy: 1.0938412785196892
Energy: 0.9590834984388865
Energy: 1.0213594424626975
Energy: 0.9428876334516489
Energy: 1.0213594453592392
Energy: 0.9695390976861487
Energy: 0.9542426872738073
Energy: 0.9461936795611872
Energy: 0.9542426874679648
Energy: 0.9655665072858906
Energy: 1.0330262046392924
Energy: 0.9435252417677386
Energy: 1.0330262046376735
Energy: 0.9393276687693829
Energy: 1.0907054649222452
Energy: 1.1611870490110954
Energy: 1.0907054648729053
Energy: 1.1454119386556432
Energy: 1.011416944094087
Energy: 0.9532841274262674
Energy: 1.0114169442308105
Energy: 0.9390768508817321
Energy: 1.0206842391510214
Energy: 0.973944499017382
Energy: 1.020684239095206
Energy: 0.9508884472156456
Energy: 1.0647287183382117
Energy: 0.9433498321216253
Energy: 1.0647287183349738
Energy: 0.9404943263145469
Energy: 1.088561869476658
Energy: 0.9468952249723348
Energy: 1.088561859300737
Energy: 0.9433943842357192
Energy: 1.017152514921093
Energy: 0.9437553371108691
Energy: 1.0171525149235212
Energy: 0.9549147498640034
Energy: 1.0888523590741528
Energy: 0.9568988138521773
Energy: 1.088852359132433
Energy: 0.9435035851359176
Energy: 1.0925618338777514
Energy: 1.0385205768262005
Energy: 1.0925618348688853
Energy: 1.1133895764306334
Energy: 1.044924215220993
Energy: 0.9455620646604226
Energy: 1.0449242278590019
Energy: 0.9866046876274246
Energy: 0.9941042594884774
Energy: 1.0765494250544203
Energy: 0.9941039317543632
Energy: 0.9662996587281681
Energy: 1.0201611163276196
Energy: 0.9465775260633884
Energy: 1.0201611167475397
Energy: 0.9435968942006122
Energy: 1.0933982931320116
Energy: 0.9591585700956416
Energy: 1.0933982931142037
Energy: 0.9441103916217748
Energy: 1.0407837802396436
Energy: 1.0284567613161104
Energy: 1.0407837802428814
Energy: 0.9426378611769589
Energy: 1.0128317629830579
Energy: 0.9519146624768114
Energy: 1.0128317629765822
Energy: 0.9408230761002523
Energy: 1.0516886042977316
Energy: 0.9959573522452692
Energy: 1.0516886042993503
Energy: 1.0777548838839708
Energy: 0.9729743207658416
Energy: 0.9519327468971368
Energy: 0.9729743207156925
Energy: 0.9417685611311913
Energy: 1.0407334076928605
Energy: 0.983465227001802
Energy: 1.0407334076904322

minimum gb energy = 0.9390768508817321 eV
minimum distance =  2.32848937233952 Angstroms
sigma value = 29


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

Energy: 0.9436841454869576
Energy: 0.9409016147955972
Energy: 1.1684545514016969
Energy: 0.9409016136988579
Energy: 0.9114101475796216
Energy: 0.9380344557903559
Energy: 0.9449563594151711
Energy: 0.9380344558402305
Energy: 0.9026665443494872
Energy: 1.014118283537977
Energy: 1.05452929826191
Energy: 1.0141182835368805
Energy: 0.9433477407317084
Energy: 0.9721299465596093
Energy: 0.9490246662300086
Energy: 0.9721299276395098
Energy: 0.9449462484175069
Energy: 0.9906312217957254
Energy: 0.8886908881669278
Energy: 0.9906312217968533
Energy: 0.9124132041634772
Energy: 1.014844207235817
Energy: 0.910495681144353
Energy: 1.0148442072330601
Energy: 0.9031209417932854
Energy: 0.991173604353671
Energy: 0.9451115747734268
Energy: 0.9911736043531071
Energy: 0.9426915878313962
Energy: 0.9727844040925353
Energy: 0.9434544531517693
Energy: 0.9727844040252734
Energy: 1.0546447982416636
Energy: 1.0148228668513424
Energy: 0.9155168374002991
Energy: 1.0148228668507786

minimum gb energy = 0.8886908881669278 eV
minimum distance =  2.34150426593574 Angstroms
sigma value = 5


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

Energy: 0.8864512629944511
Energy: 0.901162654170031
Energy: 1.1563046914737447
Energy: 0.9011626541455633
Energy: 1.0491573174110649
Energy: 0.9308956475387568
Energy: 0.8369807224871801
Energy: 0.9308956475387568
Energy: 0.8361949399761156
Energy: 0.9178114854419384
Energy: 1.051240109055488
Energy: 0.9178114854388798
Energy: 0.8315330063053724
Energy: 0.918873232482002
Energy: 0.8553242905634111
Energy: 0.9188732324812374
Energy: 0.8548880778637925
Energy: 0.9382262031109984
Energy: 1.056202474930063
Energy: 0.938226203109469
Energy: 0.8703244444617858
Energy: 0.8908505566298902
Energy: 0.8369274825605951
Energy: 0.8908505566306549
Energy: 0.83610205556508
Energy: 0.9368649304274765
Energy: 0.8379096990708899
Energy: 0.9368649304228887
Energy: 0.8352309518694646
Energy: 0.8909089991993688
Energy: 0.8365058565988828
Energy: 0.8909089991978395
Energy: 0.8549976338186692
Energy: 0.9361526900293604
Energy: 0.832407487842413
Energy: 0.9361526900308895
Energy: 0.8540703937930106
Energy: 0.9342085551077401
Energy: 0.8271873859319436
Energy: 0.9342085551062109
Energy: 0.8366660052896095
Energy: 0.9184696901847829
Energy: 0.8355345951459621
Energy: 0.9184696901779013
Energy: 0.8350686438230108
Energy: 0.9449528510584773
Energy: 0.8944124040736526
Energy: 0.9449528510424897
Energy: 0.870671550395116
Energy: 0.8946215296539699
Energy: 0.8954139369942099
Energy: 0.8946215297113167
Energy: 0.8536640511604106
Energy: 0.9026802213979371
Energy: 0.8763311566042993
Energy: 0.9026802213757632
Energy: 1.0626577644043758
Energy: 0.8539544614911198
Energy: 0.8348443063151446
Energy: 0.8539544614911198
Energy: 0.8606921638720155
Energy: 0.87682718791603
Energy: 0.853411607702658
Energy: 0.8768271879206176
Energy: 1.0631731120240484
Energy: 0.8739685868586721
Energy: 0.8462146888741976
Energy: 0.8739685958711387
Energy: 0.8538994676014504
Energy: 0.9540940205349411
Energy: 0.8819441416542154
Energy: 0.9540940205349411
Energy: 0.8517323838695869
Energy: 0.9375339029141537
Energy: 0.8360979411955194
Energy: 0.9375339029049784
Energy: 0.836405147584051
Energy: 0.9192136815322074
Energy: 0.865203330356573
Energy: 0.9192136815276197
Energy: 0.8281603297980483
Energy: 0.9180042926223152
Energy: 0.8538848673067174
Energy: 0.9180042926207859
Energy: 0.8546858908928108
Energy: 0.9407060652712822
Energy: 0.8550013854961404
Energy: 0.9407060652720468
Energy: 0.8402080881964786
Energy: 0.8893688011330486
Energy: 0.8299495712390776
Energy: 0.8893688011330486
Energy: 0.8907194092516654
Energy: 0.9295712290004232
Energy: 0.8367487998415282
Energy: 0.9295712341715653
Energy: 0.892426123037689
Energy: 0.8833864073530789
Energy: 0.8392948482060801
Energy: 0.8833864073538437
Energy: 0.8904357642994291
Energy: 0.8962263688331301
Energy: 0.8549845502979165
Energy: 0.8962263688346593
Energy: 0.8382023843971681
Energy: 0.909360801466241
Energy: 0.8675009336554065
Energy: 0.909360801454007
Energy: 0.8659441133329517
Energy: 0.9189719581501906
Energy: 0.8597932788422094
Energy: 0.9189719586783363
Energy: 0.8350320718977708
Energy: 0.8638110407726244
Energy: 1.0747909405260248
Energy: 0.8638110403812767
Energy: 0.9886009409728724
Energy: 0.9511141245805792
Energy: 0.8534524845578654
Energy: 0.9511141245813439
Energy: 0.8389119059111089
Energy: 0.8639114106497023
Energy: 0.9853386961611587
Energy: 0.8639114106527609
Energy: 1.0515784158753558
Energy: 0.8786089534628395
Energy: 0.8345602021525873
Energy: 0.8786089534597811
Energy: 0.8574512326568056
Energy: 0.9184700129568343
Energy: 0.8338746414379802
Energy: 0.918470012955305

minimum gb energy = 0.8271873859319436 eV
minimum distance =  2.35161045020685 Angstroms
sigma value = 1


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

Energy: 0.8524888789153711
Energy: 0.8479248143115713
Energy: 1.0925002897767824
Energy: 0.8479248143083996
Energy: 0.8488617123314985
Energy: 0.8790076715613022
Energy: 0.7983850992231011
Energy: 0.8790076715591878
Energy: 0.7726880377713384
Energy: 0.8450849644164034
Energy: 0.9721805313391163
Energy: 0.8450849644142889
Energy: 0.8037382625542526
Energy: 0.8791217637301307
Energy: 0.7984967335915445
Energy: 0.8791217637301307
Energy: 0.7716208084278919
Energy: 0.9272047045838184
Energy: 0.806303214770089
Energy: 0.9272047045848756
Energy: 0.7713014940257317
Energy: 0.8783029664594453
Energy: 0.7988113106905841
Energy: 0.878302966462569
Energy: 0.7716204946033323
Energy: 0.927978678664211
Energy: 0.8077362501864634
Energy: 0.9279786786599821
Energy: 0.7726292170561512
Energy: 0.8380531833390479
Energy: 0.8081024850180439
Energy: 0.8380531833411623
Energy: 0.8410021761743506
Energy: 0.8385247686419273
Energy: 0.8059071719360262
Energy: 0.8385247686419273
Energy: 0.8407599608414492
Energy: 0.8393736491905283
Energy: 0.807294311738261
Energy: 0.8393736491873566
Energy: 0.7723902076779986
Energy: 0.8386021609333177
Energy: 0.8019547085503496
Energy: 0.8386021609470615
Energy: 0.7715435366088759
Energy: 0.9282988586212201
Energy: 0.8078276928105657
Energy: 0.9282988586275635
Energy: 0.7722615078718942
Energy: 0.8785650992957417
Energy: 0.7988673288318441
Energy: 0.8785650992999704
Energy: 0.7714315325424135
Energy: 0.9274837038140605
Energy: 0.8080264615186223
Energy: 0.9274837038098318
Energy: 0.8035871184745801
Energy: 0.8790791458598386
Energy: 0.798623915654944
Energy: 0.8790791458587813
Energy: 0.7726132345928863
Energy: 0.8468248953744694
Energy: 0.7775889015072874
Energy: 0.8468248953808127
Energy: 0.8466946907148705
Energy: 0.879279545757765
Energy: 0.7983761152078813
Energy: 0.8792795457588223
Energy: 0.8524888789164283
Energy: 0.847924814309457
Energy: 0.9488260853367028
Energy: 0.8479248143073425
Energy: 0.8488617123272697
Energy: 0.8790076715613022
Energy: 0.7983850992231011
Energy: 0.8790076715634165
Energy: 0.7726880377713384
Energy: 0.8450849644206323
Energy: 1.177656339815076
Energy: 0.8450849644216896
Energy: 0.8037382625796259
Energy: 0.8791217637343596
Energy: 0.7984967335894301
Energy: 0.8791217637322452
Energy: 0.7716208084268347
Energy: 0.9272047045933333
Energy: 1.0713947895879647
Energy: 0.9272047045933333
Energy: 0.7713014940246743
Energy: 0.8783029664605024
Energy: 0.7988113106905841
Energy: 0.8783029664615117
Energy: 0.7716204946022752
Energy: 0.9279786786631539
Energy: 0.8030681498349289
Energy: 0.9279786786599821

minimum gb energy = 0.7713014940246743 eV
minimum distance =  2.34544651847865 Angstroms
sigma value = 17


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

Energy: 0.8377817768361298
Energy: 0.8937288085516365
Energy: 1.1126716429530032
Energy: 0.8937288085509829
Energy: 0.9784482542330837
Energy: 0.8128856196452517
Energy: 0.7788090665922437
Energy: 0.8128856195962436
Energy: 0.7789269831588606
Energy: 0.8187947083602413
Energy: 1.0672563474955068
Energy: 0.8187947083399844
Energy: 0.8002618163329523
Energy: 0.779119843834338
Energy: 0.7790627868517284
Energy: 0.7791198438180019
Energy: 0.7674752944604027
Energy: 0.884075930526967
Energy: 0.8028756680489928
Energy: 0.8840759305250067
Energy: 0.7631352298939956
Energy: 1.012256691259149
Energy: 0.7976104457419892
Energy: 1.0122566912552284
Energy: 0.7804639547454635
Energy: 0.8613426589300655
Energy: 0.8115299840389752
Energy: 0.8613426589287586
Energy: 0.7736495689097117
Energy: 1.0177367750478092
Energy: 0.766453093208355
Energy: 1.0177367750471558
Energy: 0.8087418443129926
Energy: 1.0217512114612066
Energy: 0.7948627688097729
Energy: 1.021751211458593
Energy: 0.8114811747820692
Energy: 0.8494966201347998
Energy: 0.7794968414733296
Energy: 0.8494966201315325
Energy: 0.779577574616324
Energy: 0.8211792138556971
Energy: 0.7665218145670234
Energy: 0.8211792138530835
Energy: 0.7794139517245914
Energy: 0.8541335179998611
Energy: 0.7673982201417512
Energy: 0.8541335179979007
Energy: 0.7621975976337784
Energy: 1.009682208360808
Energy: 0.780416741329072
Energy: 1.0096822083562338
Energy: 0.7671459230353777
Energy: 0.8819934424963125
Energy: 0.8298165129635559
Energy: 0.8819934424904315
Energy: 0.7700289572644894
Energy: 1.0042082920073652
Energy: 0.8304602022177257
Energy: 1.0042082920086721
Energy: 0.7786217231974958
Energy: 0.8211925699782726
Energy: 0.8049459542855775
Energy: 0.8211925701056348
Energy: 0.7939347382742707
Energy: 1.0037403274920946
Energy: 0.7797179709184943
Energy: 1.0037403274901344
Energy: 0.7813245838148878
Energy: 0.8297059165662573
Energy: 0.7848157451045321
Energy: 0.8297059165420797
Energy: 0.9701184546331635
Energy: 0.8522008969327522
Energy: 0.7784731019268989
Energy: 0.8522008970176407
Energy: 0.8002448281250462
Energy: 0.8471742297937085
Energy: 0.9236338797607515
Energy: 0.8471742297956687
Energy: 0.7851125573222325
Energy: 0.8045161642231292
Energy: 0.7800971749929533
Energy: 0.8045161642296637
Energy: 0.7817869589353439
Energy: 0.8324833494928794
Energy: 0.9617782783054928
Energy: 0.8324833495026812
Energy: 0.7836697300247378
Energy: 0.7986138103483559
Energy: 0.7979480030696725
Energy: 0.7986138116520374
Energy: 0.7787401063521169
Energy: 0.8595257204485653
Energy: 0.9750280323211875
Energy: 0.8595257204472584
Energy: 0.8000693305557395
Energy: 0.82799004261615
Energy: 0.7807004186533847
Energy: 0.82799004261615
Energy: 0.7814926070722894
Energy: 0.8813749079979163
Energy: 0.7906410975134872
Energy: 0.8813749079966094
Energy: 0.9555868769402298
Energy: 0.8376177736628184
Energy: 0.7790196824705807
Energy: 0.8376177736621649
Energy: 0.827196928551354
Energy: 1.0042113553338199
Energy: 0.7683792994514148
Energy: 1.0042113553344734
Energy: 0.8286270101610134
Energy: 0.8807025146694768
Energy: 0.7690369827197505
Energy: 0.880702514665556
Energy: 0.7829169180766159
Energy: 1.0142035898394344
Energy: 0.8002983734669527
Energy: 1.0142035898394344
Energy: 0.7692861620983881
Energy: 0.8803521253364834
Energy: 0.7797026029482281
Energy: 0.880352125328048
Energy: 0.7685873002285583
Energy: 0.9965996189303564
Energy: 0.7791893521461768
Energy: 0.9965996189225151
Energy: 0.7841227957790693
Energy: 0.8485981186755681
Energy: 0.9771264928675303
Energy: 0.8485981186853696
Energy: 0.7990938325908091
Energy: 1.0211772965199475
Energy: 0.7976182385298926
Energy: 1.0211772965199475
Energy: 0.7670119714821667
Energy: 0.832966948814887
Energy: 0.7966988311041648
Energy: 0.8329669487815614
Energy: 0.8143643300570371
Energy: 0.8625793490058102
Energy: 0.7784356481829362
Energy: 0.862579349026067
Energy: 0.8000507817560201
Energy: 0.7987689598554375
Energy: 0.7650358966445774
Energy: 0.7987680343806296
Energy: 0.8001551546885548
Energy: 0.8806481181469757
Energy: 0.7811998330900033
Energy: 0.8806481181450154

minimum gb energy = 0.7621975976337784 eV
minimum distance =  2.34432958925619 Angstroms
sigma value = 89


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

Energy: 1.0030970034689255
Energy: 0.7296249168418301
Energy: 0.9767467491698697
Energy: 0.7296249170520512
Energy: 0.9545967928834826
Energy: 0.7309483712284853
Energy: 0.7117863324023153
Energy: 0.7309483712216462
Energy: 0.7352977231943915
Energy: 0.8651516048748326
Energy: 1.1360582622376867
Energy: 0.8651516048748326
Energy: 0.7024566418857738
Energy: 0.7753467572468435
Energy: 0.7363242226786083
Energy: 0.7753467572451338
Energy: 0.7143929088729285
Energy: 0.774442263148168
Energy: 0.9292175141592848
Energy: 0.7744422631498777
Energy: 0.7142716245985259
Energy: 0.7084531065889714
Energy: 0.7127088366541694
Energy: 0.7084531065889714
Energy: 0.7114353193814761
Energy: 0.8661854583140468
Energy: 0.7170732563697605
Energy: 0.8661854583123371
Energy: 0.6788453795215564
Energy: 0.8557115888587269
Energy: 0.7348365087892537
Energy: 0.8557115885477082
Energy: 0.7340309496002387
Energy: 0.7744524896161273
Energy: 0.7067241232864601
Energy: 0.7744524896161273
Energy: 0.7784609464247603
Energy: 0.768098766870939
Energy: 0.7129315338138024
Energy: 0.7680986498940653
Energy: 0.9565978836294784
Energy: 0.7455126957583817
Energy: 0.7177255348209371
Energy: 0.745512695756672
Energy: 0.946945170993392
Energy: 0.8660106776710126
Energy: 0.7140326422722059
Energy: 0.8660106776727223
Energy: 0.7352030334286047
Energy: 0.7093181581988992
Energy: 0.6859308139745484
Energy: 0.7093181581988992
Energy: 0.7344669369117371
Energy: 0.7741541742013146
Energy: 0.7337900998635201
Energy: 0.7741541742013146
Energy: 0.6781280873730485
Energy: 0.7079091609837665
Energy: 0.7348025508543751
Energy: 0.7079091609854763

minimum gb energy = 0.6781280873730485 eV
minimum distance =  2.35771320694413 Angstroms
sigma value = 13


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

Energy: 0.6993967539925222
Energy: 0.661177060568363
Energy: 0.9657172993163592
Energy: 0.6611770948175719
Energy: 0.8788751940417194
Energy: 0.6856377945346783
Energy: 0.6407192924110109
Energy: 0.6856377945282288
Energy: 0.6602911225463769
Energy: 0.6614282176649807
Energy: 0.8049442940736298
Energy: 0.661428220751521
Energy: 0.6663617986229066
Energy: 0.6877502999455742
Energy: 0.6408648242490024
Energy: 0.687750299953457
Energy: 0.6609788714164823
Energy: 0.7109192988862659
Energy: 0.6668281791444879
Energy: 0.7109192988798164
Energy: 0.6454129622156756
Energy: 0.6843709656388366
Energy: 0.6734959030138266
Energy: 0.6843709656366865
Energy: 0.660995312909669
Energy: 0.7178536421600961
Energy: 0.8552479698635754
Energy: 0.7178536421995101
Energy: 0.6320555774131237
Energy: 0.6846278535342151
Energy: 0.674271336544766
Energy: 0.6846278535413811
Energy: 0.6613850530916461
Energy: 0.7165564823815704
Energy: 0.9457489240289433
Energy: 0.716556482378704
Energy: 0.8398911906563898
Energy: 0.684993996707487
Energy: 0.641722073594552
Energy: 0.6849939967726991
Energy: 0.661747990202128
Energy: 0.7376431821766658
Energy: 0.6390348626824446
Energy: 0.7376431821881315
Energy: 0.6807646185319138
Energy: 0.7371648607874675
Energy: 0.6433566687481908
Energy: 0.7371648607853177
Energy: 0.7012692274460941
Energy: 0.6767212224507764
Energy: 0.6418677719221317
Energy: 0.6767212224522097
Energy: 1.0372506757651931
Energy: 0.7379588669979844
Energy: 0.6431159923706731
Energy: 0.7379588669951178
Energy: 0.6624648313652396
Energy: 0.6605751732140811
Energy: 0.6437748514307533
Energy: 0.6605751731617681
Energy: 0.6575577100557022
Energy: 0.7385762678170458
Energy: 0.6430442455365718
Energy: 0.7385762678113129
Energy: 0.656141590652806
Energy: 0.6613711334097806
Energy: 0.6450514149430954
Energy: 0.6613711334061976
Energy: 0.6571478231796711
Energy: 0.7166938037035747
Energy: 0.6774921143988036
Energy: 0.7166938037093077
Energy: 0.6556905287988201
Energy: 0.6794394626611273
Energy: 0.6779890757109376
Energy: 0.6794394626510948
Energy: 0.6562056232444134
Energy: 0.7153457601603196
Energy: 0.6776708716770162
Energy: 0.7153457601302217
Energy: 0.657370673441453
Energy: 0.7162765695005333
Energy: 0.6768357571688367
Energy: 0.7162765695041163
Energy: 0.6563130967121014
Energy: 0.6589990579304651
Energy: 0.6443887352568916
Energy: 0.658999057921149
Energy: 0.6572996736747151
Energy: 0.7392000064555987
Energy: 0.6428856883596962
Energy: 0.7392000064541656
Energy: 0.6620541037011335
Energy: 0.6590431874331643
Energy: 0.6405333612713295
Energy: 0.6590431874374639
Energy: 1.038091554913782
Energy: 0.7378896961525916
Energy: 0.6430102713642828
Energy: 0.7378896962077711
Energy: 0.7018316549379372
Energy: 0.6780012908376352
Energy: 0.6403614146702727
Energy: 0.6780012908369185
Energy: 0.680598980662876
Energy: 0.7377565353855866
Energy: 0.6425710482019533
Energy: 0.7377565353906028
Energy: 0.6615535459240168
Energy: 0.7378458172238908
Energy: 0.6392079559410818
Energy: 0.7378458172274738
Energy: 0.8401232294031103
Energy: 0.6839848539662771
Energy: 0.6429617420001064
Energy: 0.683984864405647
Energy: 0.661506317623
Energy: 0.7166788244590526
Energy: 1.0221109807367623
Energy: 0.7166788251388628
Energy: 0.6316798295371969
Energy: 0.6847195384993392
Energy: 0.6741189043445105
Energy: 0.6847195384779058
Energy: 0.6623118439134773
Energy: 0.7175566101136114
Energy: 0.8512736152782898
Energy: 0.7175566100706143
Energy: 0.6453604881242169
Energy: 0.6868046530851399
Energy: 0.6736411183861336
Energy: 0.6868046530951727
Energy: 0.661127258750645
Energy: 0.7113049681934006
Energy: 0.6625274385086828
Energy: 0.7113049683795911
Energy: 0.6667444495099139
Energy: 0.6873860573880525
Energy: 0.6408563407388309
Energy: 0.6873860574038181

minimum gb energy = 0.6316798295371969 eV
minimum distance =  2.36116486831532 Angstroms
sigma value = 37


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

Energy: 0.6278889826045501
Energy: 0.6216099877988965
Energy: 0.7353305978743464
Energy: 0.6216099878001294
Energy: 0.5972316844222939
Energy: 0.6216338492097641
Energy: 0.5712224809071911
Energy: 0.6216338492097641
Energy: 0.5677622353096393
Energy: 0.7010994578686759
Energy: 0.8160260768913032
Energy: 0.7010994578699089
Energy: 0.5633845882745501
Energy: 0.6211516641204508
Energy: 0.5712365164176058
Energy: 0.6211516643656891
Energy: 0.571838321762999
Energy: 0.6215179660805461
Energy: 0.5581950166475046
Energy: 0.6215179660891765
Energy: 0.5403154750648567
Energy: 0.6227225519267606
Energy: 0.5690096290383316
Energy: 0.6227225519452544
Energy: 0.5641973665558712
Energy: 0.6618993914905046
Energy: 0.5908010927651951
Energy: 0.6618993908435314
Energy: 0.5647577849086812
Energy: 0.6214626417185077
Energy: 0.6282167423833698
Energy: 0.6214626417185077
Energy: 0.5719873967134258
Energy: 0.6209000457443579
Energy: 0.7602154152482304
Energy: 0.620900045743125
Energy: 0.8144835913752876
Energy: 0.6996648136197254
Energy: 0.5699885020331754
Energy: 0.6996648136209582
Energy: 0.5641095327663612
Energy: 0.6616587845160372
Energy: 0.5635113503737404
Energy: 0.6616587845160372
Energy: 0.9356815237616842
Energy: 0.6220200925221371
Energy: 0.5648745838041751
Energy: 0.6220200925221371
Energy: 0.5708834006164661
Energy: 0.6203463136781885
Energy: 0.5289354783298211
Energy: 0.6203463136769556
Energy: 0.5855159506174993
Energy: 0.6615001007580951
Energy: 0.5664831350864865
Energy: 0.6615001007728902
Energy: 0.6260092317808912
Energy: 0.6618784918058639
Energy: 0.5666718799446017
Energy: 0.6618784918058639
Energy: 0.6258266867081931
Energy: 0.6227094282514105
Energy: 0.567653167332251
Energy: 0.6227094282526434
Energy: 0.5693752844074721
Energy: 0.6986240104178854
Energy: 0.5489773296669168
Energy: 0.6986240104154194
Energy: 0.5662951025982662
Energy: 0.7298499539502789
Energy: 0.5653495663870061
Energy: 0.7298499362842908
Energy: 0.5644179746152783
Energy: 0.6223466646320921
Energy: 0.5669781233205025
Energy: 0.6223466646320921
Energy: 0.5666546100437929
Energy: 0.6176854863920841
Energy: 0.5684471453182275
Energy: 0.6176854863945501

minimum gb energy = 0.5289354783298211 eV
minimum distance =  2.35609862634964 Angstroms
sigma value = 25


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

Energy: 0.5650548074733454
Energy: 0.5138564577894225
Energy: 0.6283670513974837
Energy: 0.5138564578038199
Energy: 0.7788908558422963
Energy: 0.5352815355868936
Energy: 0.5202858417435939
Energy: 0.5352815355907447
Energy: 0.5177325842224785
Energy: 0.5123024875991895
Energy: 0.43232576406283224
Energy: 0.5123024875963014
Energy: 0.5085263793775759
Energy: 0.5361502202386808
Energy: 0.5205122650361055
Energy: 0.5361502202791161
Energy: 0.5202594724354652
Energy: 0.5340517902233665
Energy: 0.46672850829812196
Energy: 0.5340517901569808
Energy: 0.48359003679669527
Energy: 0.5350137798582616
Energy: 0.5198613742974343
Energy: 0.5350137798582616
Energy: 0.5206218084813216
Energy: 0.5127657572585103
Energy: 0.5086167021885319
Energy: 0.5127657572277461
Energy: 0.4546417428025081
Energy: 0.5635806218485375
Energy: 0.5181636770441014
Energy: 0.5635806218687553
Energy: 0.5202411242759909
Energy: 0.5360499475400583
Energy: 0.8948501018280463
Energy: 0.5360499475053995
Energy: 0.48677401263499925
Energy: 0.5137577804363435
Energy: 0.5646895943453479
Energy: 0.5137577801274332
Energy: 0.513776714761553
Energy: 0.5118609477761803
Energy: 1.0051330648344683
Energy: 0.5118609477752175
Energy: 0.6967068196427952
Energy: 0.5620321588404952
Energy: 0.5192022196055048
Energy: 0.5620322062289225
Energy: 0.5209700383730133
Energy: 0.5355263791290563
Energy: 0.8673602437957395
Energy: 0.5355263791271307
Energy: 0.7590816032091633
Energy: 0.5112583130245602
Energy: 0.5216031827998562
Energy: 0.5112582616126851
Energy: 0.5212716846068384
Energy: 0.5113687962270466
Energy: 0.487074979677689
Energy: 0.5113687962280093
Energy: 0.7642712616337277
Energy: 0.6244095164864587
Energy: 0.5167001867903513
Energy: 0.6244095164806822
Energy: 0.5205851315704182
Energy: 0.5643798090364744
Energy: 0.45199269874459885
Energy: 0.5643798092491538
Energy: 0.7980184392329374
Energy: 0.5358520810516472
Energy: 0.5213213592914248
Energy: 0.5358520810256531
Energy: 0.5672008536462367
Energy: 0.5118449453371794
Energy: 0.49134796141404113
Energy: 0.5118449453371794
Energy: 1.0065828872722027
Energy: 0.6243889565228072
Energy: 0.5167866348149434
Energy: 0.6243889565141426
Energy: 0.5202391512491193
Energy: 0.5594954931700147
Energy: 0.4691854679639715
Energy: 0.5594954929698949
Energy: 0.5180594147987553
Energy: 0.5342776116422376
Energy: 0.5214196082355509
Energy: 0.5342776116547534
Energy: 0.5156704127566846
Energy: 0.513181563824742
Energy: 0.762436639959549
Energy: 0.5131815756516421
Energy: 0.49315283010643096
Energy: 0.6248419890192076
Energy: 0.5174183695149889
Energy: 0.6248419890201704
Energy: 0.518989126286821
Energy: 0.6201495600018366
Energy: 0.7677343498627784
Energy: 0.6201495382312993
Energy: 0.49303659441230274
Energy: 0.5612805770860612
Energy: 0.5235937643155357
Energy: 0.5612805770803285

minimum gb energy = 0.43232576406283224 eV
minimum distance =  2.34965240695198 Angstroms
sigma value = 41


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

Energy: 1.1165615697855817
Energy: 0.48585202987882276
Energy: 0.5721163590693699
Energy: 0.48585203001766675
Energy: 0.9872996802569765
Energy: 0.45996730854955803
Energy: 0.450420006839432
Energy: 0.4599673085519259
Energy: 0.612120614627404
Energy: 0.4531856273024896
Energy: 0.4043753271096194
Energy: 0.4531856333805204
Energy: 0.7676818076350274
Energy: 0.46938746720773367
Energy: 0.4497426204297939
Energy: 0.469387467187212
Energy: 0.6003145509420824
Energy: 0.4973785819045172
Energy: 0.5366130734811652
Energy: 0.4973785818674204
Energy: 0.5584407537501994
Energy: 0.45262265178107847
Energy: 0.4593840635658097
Energy: 0.45262265488558734
Energy: 0.4578906102338643
Energy: 0.4612377075892752
Energy: 0.564835665814111
Energy: 0.46123770765553995
Energy: 0.5423381812579556
Energy: 0.47990374058237867
Energy: 0.58332307284106
Energy: 0.47990374005853853
Energy: 0.45100488619804063
Energy: 0.7292396551805851
Energy: 0.8794421787768567
Energy: 0.7292396551947565
Energy: 0.414710417757574
Energy: 0.4568733568530559
Energy: 0.6157241693943742
Energy: 0.45687329412573846
Energy: 0.45076887461945137
Energy: 0.4596616430361784
Energy: 1.1546481420541073
Energy: 0.4596616430842894
Energy: 0.4306231107361158
Energy: 0.47613149528099397
Energy: 0.922439007365502
Energy: 0.47613149550504585
Energy: 0.451974661768592
Energy: 0.7252439344282602
Energy: 1.1476410611130945
Energy: 0.7252439341710939
Energy: 0.6173195645453224
Energy: 0.7298542899862233
Energy: 0.6046190723618065
Energy: 0.7298542888596137
Energy: 0.4508063706017554
Energy: 0.4725329142546293
Energy: 0.9656217555117389
Energy: 0.4725329142577865
Energy: 0.6640164762443362
Energy: 0.47948364939356275
Energy: 0.5751782120585528
Energy: 0.47948365834968265
Energy: 0.4584585771311863
Energy: 0.7264829718728584
Energy: 0.8565400380912533
Energy: 0.7264829721750143
Energy: 0.7830193387117667
Energy: 0.7322569696863681
Energy: 0.45968991931402386
Energy: 0.7322569696926824
Energy: 0.5777719931402516
Energy: 0.4799647291498021
Energy: 0.5458266079214187
Energy: 0.47996473556705
Energy: 0.8110558765262997
Energy: 0.4782283394582983
Energy: 0.4499525434057876
Energy: 0.4782051273979107
Energy: 0.6045503951661011
Energy: 0.7297001139243382
Energy: 0.417188499576844
Energy: 0.7297001074913043
Energy: 1.1588132167887681
Energy: 0.9568954542980315
Energy: 0.4508983563890885
Energy: 0.9568954542980315
Energy: 1.0179157469546354
Energy: 0.4847491687702421
Energy: 0.4349649588284281
Energy: 0.48474365349633003
Energy: 0.9908897241263934
Energy: 0.7224208945694743
Energy: 0.4477008680025332
Energy: 0.7224208946207783
Energy: 0.6137333239864878
Energy: 0.9413340264468212
Energy: 0.4181488893892387
Energy: 0.9413340264515572
Energy: 0.9638233807120602
Energy: 0.7513904248341117
Energy: 0.451055979616388
Energy: 0.7513904249003764
Energy: 0.5758660209440692
Energy: 0.47646126067750005
Energy: 0.6686229220563068
Energy: 0.47646127648085373
Energy: 0.5866436277752864
Energy: 0.7255534367845203
Energy: 0.45664836981138573
Energy: 0.7255534367963599
Energy: 0.4592536928957244
Energy: 0.7335412660853409
Energy: 0.7889102312914128
Energy: 0.7335412665255517
Energy: 0.5559439695852642
Energy: 0.7559331756390124
Energy: 0.5862499591008244
Energy: 0.755933175638223
Energy: 0.45043828009125336
Energy: 0.48258006748414184
Energy: 0.8168974879945305
Energy: 0.4825800675535638
Energy: 0.4478278220014017
Energy: 0.7270644274526928
Energy: 0.6099591207068088
Energy: 0.7270644274802822

minimum gb energy = 0.4043753271096194 eV
minimum distance =  2.32482856621157 Angstroms
sigma value = 15


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

Energy: 0.8729752549389111
Energy: 0.8572436702241646
Energy: 0.7446304403909101
Energy: 0.857243670225502
Energy: 0.9413373197716292
Energy: 0.4249778733860899
Energy: 0.4230020513598474
Energy: 0.42497857344260503
Energy: 0.44608473192401116
Energy: 0.42045136333720234
Energy: 0.35932363151111446
Energy: 0.42045136335258115
Energy: 0.7872167159843378
Energy: 0.6565759055999608
Energy: 0.42298513335099397
Energy: 0.6565758880819398
Energy: 0.42167066888246907
Energy: 0.8560679273317822
Energy: 0.3745487523120318
Energy: 0.8560679273364629
Energy: 0.574678408092004
Energy: 0.6660746378157602
Energy: 0.42267672897698655
Energy: 0.6660746380035881
Energy: 0.4224253890715967
Energy: 0.43751937498741017
Energy: 0.39523711708690956
Energy: 0.4375193743397991
Energy: 0.5719895249100135
Energy: 0.43431412942069414
Energy: 0.4222451313716049
Energy: 0.4343141283860603
Energy: 0.42310817498878256
Energy: 0.8640653729501686
Energy: 0.680031917149891
Energy: 0.864065372951506
Energy: 0.38662362943848133
Energy: 0.6540774098099843
Energy: 0.42208119850793274
Energy: 0.6540774099088826
Energy: 0.42273241731892575
Energy: 0.4241220716127951
Energy: 0.7860141049102366
Energy: 0.4241236326742128
Energy: 0.36747705583800766
Energy: 0.42331890679033496
Energy: 0.44555394891269967
Energy: 0.4233189075068163
Energy: 0.42309759304098205
Energy: 0.8608532213393777
Energy: 1.0149194043800123
Energy: 0.8608532212605386
Energy: 0.3888389772392759
Energy: 0.8524597148176651
Energy: 0.8326272270471725
Energy: 0.8524597147708601
Energy: 0.42243775461869937
Energy: 0.6488019805310992
Energy: 1.0976983931750919
Energy: 0.6488019803954255
Energy: 0.5447035899156818
Energy: 0.42145629813400126
Energy: 0.44602744632840685
Energy: 0.4214562920921431
Energy: 0.423945934162565
Energy: 0.8675006317009186
Energy: 1.0049517071204521
Energy: 0.8675006317022559
Energy: 0.5798166514476087
Energy: 0.8538738994038589
Energy: 0.4237208968897045
Energy: 0.8538738994058648
Energy: 0.42253829202539167
Energy: 0.42006270284754027
Energy: 0.7703673664930532
Energy: 0.4200624386042039
Energy: 0.5837665700816074
Energy: 0.4216845695745692
Energy: 0.423179772106124
Energy: 0.4216845697563185
Energy: 0.42368950857743365
Energy: 0.6720719799042058
Energy: 0.66024660886219
Energy: 0.6720719799042058
Energy: 0.6113981510548191
Energy: 0.8742125454334126
Energy: 0.4238098986875842
Energy: 0.8742125454327441
Energy: 0.42323794465453823
Energy: 0.6521137660950005
Energy: 0.39077550190680566
Energy: 0.6521137663101819
Energy: 0.9652492022648672
Energy: 0.4308186126890587
Energy: 0.42328020495875185
Energy: 0.43081873087140476
Energy: 0.44670160029121414
Energy: 0.44758526561749395
Energy: 0.3692715623473892
Energy: 0.4475852656836288
Energy: 0.9730346097095626
Energy: 0.8602704641694214
Energy: 0.4244476231622238
Energy: 0.860270464089245
Energy: 0.8282979695936593
Energy: 0.8544168469759074
Energy: 0.3955154991899998
Energy: 0.8544168469752388
Energy: 1.0996105466681834
Energy: 0.4320948555821773
Energy: 0.42267017220867237
Energy: 0.4320804054568252
Energy: 0.44675185757821056
Energy: 0.865876744088384
Energy: 0.3808422640768658
Energy: 0.8658767440897213
Energy: 0.7849446958162372
Energy: 0.861816213442007
Energy: 0.4247458558500857
Energy: 0.861816213442007
Energy: 0.4238701624596474
Energy: 0.8528541758380396
Energy: 0.5825933754306672
Energy: 0.8528541758340277
Energy: 0.7694164733936935
Energy: 0.6484188999476781
Energy: 0.4232309809723428
Energy: 0.6484188985615205
Energy: 0.42325745811680443
Energy: 0.8662808914333339
Energy: 0.587031152139651
Energy: 0.8662808914340024
Energy: 0.42383484496168305
Energy: 0.4467711290878135
Energy: 0.4247056495766799
Energy: 0.44677112898289734
Energy: 0.4045184227908193
Energy: 0.8505088862622953
Energy: 0.6151379941971437
Energy: 0.8505088862616267
Energy: 0.39584432073849835
Energy: 0.656247614034558
Energy: 0.4240371681108177
Energy: 0.656247614034558
Energy: 0.4238655628781382
Energy: 0.8664017126647952
Energy: 0.9477269146547306
Energy: 0.8664017126647952

minimum gb energy = 0.35932363151111446 eV
minimum distance =  2.32062753108328 Angstroms
sigma value = 85


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

Energy: 0.7965615366931115
Energy: 0.40923595504007526
Energy: 0.6453198237307133
Energy: 0.40923623640017515
Energy: 0.9793562564116021
Energy: 0.40795422158109296
Energy: 0.37679092004474496
Energy: 0.407954221567175
Energy: 0.7710884569376429
Energy: 0.40827963450282717
Energy: 0.2745320866900257
Energy: 0.40827963449760796
Energy: 0.8228561375463854
Energy: 0.40825044566972485
Energy: 0.3769755935117593
Energy: 0.4082510265210281
Energy: 0.41021097660388417
Energy: 0.3799354331272743
Energy: 0.28903489878568406
Energy: 0.3799354200629432
Energy: 0.6699501327281362
Energy: 0.40853117922153137
Energy: 0.37675149354077064
Energy: 0.40853118724458
Energy: 0.3770892252039933
Energy: 0.42520118979258303
Energy: 0.318233569199858
Energy: 0.42520118979896204
Energy: 0.6455199911471438
Energy: 0.408650551586675
Energy: 0.3766112428309147
Energy: 0.4086514713917302
Energy: 0.3763749498224524
Energy: 0.3902718874918898
Energy: 0.5662075092961234
Energy: 0.3902718876855024
Energy: 0.477044017358272
Energy: 0.4260463416702478
Energy: 0.3768681343809828
Energy: 0.42604634161518223
Energy: 0.3774159710598621
Energy: 0.4086713160338673
Energy: 0.6766154187988462
Energy: 0.4086714086910153
Energy: 0.30492803081222564
Energy: 0.40805575929241905
Energy: 0.41024628092650445
Energy: 0.40805563117007837
Energy: 0.37636667436336974
Energy: 0.39030475101114515
Energy: 0.8935081313895011
Energy: 0.3903047510134648
Energy: 0.26762808878232314
Energy: 0.41134798238917003
Energy: 0.7449235190221533
Energy: 0.4113479824013483
Energy: 0.37732981264087484
Energy: 0.4087362328504578
Energy: 1.1042612056286247
Energy: 0.40873622945484306
Energy: 0.3084644776957637
Energy: 0.4079224742381696
Energy: 0.7739536524066425
Energy: 0.4079224743459811
Energy: 0.37657632666572155
Energy: 0.39038825345313516
Energy: 1.1698996320772532
Energy: 0.39038825345255523
Energy: 0.4251710635656219
Energy: 0.40948350169315784
Energy: 0.7490906866980488
Energy: 0.40948350151520296
Energy: 0.37793823797704834
Energy: 0.40838407981303726
Energy: 0.9635940822268745
Energy: 0.40838406566589885
Energy: 0.4795785972993377
Energy: 0.40697416509107964
Energy: 0.41055581442482153
Energy: 0.40697413429038276
Energy: 0.376620293040873
Energy: 0.3896437394747155
Energy: 0.8788772359535935
Energy: 0.3896437394950125
Energy: 0.478943440010787
Energy: 0.40788512292418083
Energy: 0.37606569140478086
Energy: 0.4078851234261502
Energy: 0.37797157400377723
Energy: 0.4076223271437988
Energy: 0.6549511552253862
Energy: 0.40762232698614104
Energy: 0.5279077552553433
Energy: 0.4256634644548651
Energy: 0.37722651632432264
Energy: 0.42566346422416423
Energy: 0.3769516520975455
Energy: 0.40833853867167763
Energy: 0.5502812406683063
Energy: 0.4083385386705178
Energy: 0.6699254527585635
Energy: 0.4092720510911707
Energy: 0.3778766986792335
Energy: 0.4092720511207463
Energy: 0.4114723957054423
Energy: 0.40826936947155273
Energy: 0.30886397691967454
Energy: 0.4082728421678145
Energy: 0.8518038025206671
Energy: 0.7913207262079749
Energy: 0.37707436508910075
Energy: 0.7913207262097146
Energy: 0.7423323514050971
Energy: 0.407819874251764
Energy: 0.2751813117081871
Energy: 0.4078198742355264
Energy: 1.1061678792813914
Energy: 0.40830467604843546
Energy: 0.3787918827422705
Energy: 0.4083046741060093
Energy: 0.7717635830117285
Energy: 0.4084738314791215
Energy: 0.31550267724047165
Energy: 0.40847382992621384
Energy: 0.9953380769550052
Energy: 0.4263668106876964
Energy: 0.3771310330390185
Energy: 0.4263668025319262
Energy: 0.7500880637955235
Energy: 0.4077880257822938
Energy: 0.29319415669237237
Energy: 0.4077880257561976
Energy: 0.9677272466881652
Energy: 0.4084567362356424
Energy: 0.37775879440530635
Energy: 0.40870187745955877
Energy: 0.41111478278599867
Energy: 0.4074501819147192
Energy: 0.48033100826781994
Energy: 0.40745006995322
Energy: 0.6988268818310378
Energy: 0.4257287198617588
Energy: 0.3770164928189726
Energy: 0.42572870734924345
Energy: 0.37742392321594603
Energy: 0.4087640498538494
Energy: 0.4825093190382056
Energy: 0.40876404960053186
Energy: 0.6597250298071242
Energy: 0.4078564185093528
Energy: 0.37817684051957196
Energy: 0.40785641850297366
Energy: 0.3780846997788019
Energy: 0.4077129333906819
Energy: 0.53124608226234
Energy: 0.40771295828291204
Energy: 0.3617133762490045
Energy: 0.44358531100556786
Energy: 0.37837998238026943
Energy: 0.4435853110432624
Energy: 0.3739760175257763
Energy: 0.40820106278077556
Energy: 0.829094129514193
Energy: 0.40820106276862367
Energy: 0.3155359533612945
Energy: 0.4080990886167051
Energy: 0.41240411903493435
Energy: 0.40809908772983006
Energy: 0.37625466354448267
Energy: 0.7846496045580849
Energy: 0.8617519534804793
Energy: 0.7846496045551852

minimum gb energy = 0.26762808878232314 eV
minimum distance =  2.31700697243455 Angstroms
sigma value = 113


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

Energy: 0.01837423133639606
Energy: 0.02092023725184388
Energy: 0.440824928942404
Energy: 0.020920237250555987
Energy: 0.3613342471846397
Energy: -3.8971296791617434
Energy: -3.896085713866228
Energy: -3.897129679162586
Energy: 0.01837423133639606
Energy: 0.02092023725184388
Energy: 1.2895862711860098
Energy: 0.02092023725011018
Energy: 0.361334247188107
Energy: -3.8971296791612975
Energy: -3.8960857138684073
Energy: -3.897129679163923
Energy: 0.01837423133595025
Energy: 0.020920237252289687
Energy: 1.69923657171941
Energy: 0.020920237250555987
Energy: 0.36133424717458423
Energy: -3.897129679160851
Energy: -3.896085713866673
Energy: -3.8971296791630308

minimum gb energy = -3.897129679163923 eV
minimum distance =  2.46502795758806 Angstroms
sigma value = 1