Model name: model_name=Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080000087618828
cohesive_energy=3.810299677720723
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.141880900111604e-19, 1.7529574770257398e-19, 2.26714402417536e-19, 2.7172274841986397e-19, 3.11852466571662e-19, 3.47991162728166e-19, 3.8071241612434797e-19, 4.1042157744861e-19, 4.37419855908144e-19, 4.61937964938246e-19, 4.841617570284599e-19, 5.042402346057479e-19, 5.222999696241959e-19, 5.38448307918282e-19, 5.527749713795099e-19, 5.65361671016214e-19, 5.76277300423656e-19, 5.855843444905619e-19, 5.933388793991219e-19, 5.9959057262499e-19, 6.043858872905519e-19, 6.07766479988292e-19, 6.09769200780792e-19, 6.10429297554e-19, 6.097067158920659e-19, 6.07341903180282e-19, 6.02990391442338e-19, 5.962388191066619e-19, 5.8657769400364195e-19, 5.73385371599286e-19, 5.558976136391759e-19, 5.33165931555984e-19, 5.04006316817184e-19, 4.6693835821296e-19, 4.2008430472826397e-19, 3.6105851535507e-19, 2.8678961748599997e-19, 1.9329299783229597e-19, 7.53426766491768e-20, -7.472215363882859e-20, -2.6935152700154396e-19, -5.29029111486996e-19, -8.90515408003344e-19, -1.40992344880317e-18, -2.16825768232488e-18, -3.27611475943686e-18, -4.89290324433894e-18, -7.2465648067503e-18, -1.0675014520547881e-17, -1.5688129077735838e-17, -2.3074547882868e-17, -3.41226772979418e-17, -5.08197610891728e-17, -7.95270813641946e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014130176231265003
Energy: 0.01505763648066569
Energy: 0.22611969680086086
Energy: 0.5353010484244777
Energy: 0.19669714395984622
Energy: 0.19911531302537688
Energy: 0.014872012055171474
Energy: 0.01470084973663276
Energy: 0.4390535702279216
Energy: 0.06240255518613486
Energy: 0.22619723222302612
Energy: 0.36742428273902644
Energy: 0.015022181807064076
Energy: 0.06283409408830264
Energy: 0.014532602348265011
Energy: 0.4397972964595394
Energy: 0.15266950507226953
Energy: 0.22600444870813885
Energy: 0.3669046347596843
Energy: 0.061614341368003284
Energy: 0.06283640038935566
Energy: 0.01606259491052333
Energy: 0.22615394476146022
Energy: 0.22693498196608428
Energy: 0.5349421476410524
Energy: 0.06242446642421616
Energy: 0.061994986015238125
Energy: 0.014803339212082357
Energy: 0.06207890743673677
Energy: 0.546170292571671
Energy: 0.15808090970849129
Energy: 0.22597147555435476
Energy: 0.3685651600340041
Energy: 0.014740575370394238
Energy: 0.06209233668301375
Energy: 0.014402944854273769
Energy: 0.36683604363740363
Energy: 0.22849627265692884
Energy: 0.22619565622524815
Energy: 0.06173373341647451
Energy: 0.06145613201567186
Energy: 0.06257228119100883

minimum gb energy = 0.014130176231265003 eV
minimum distance =  2.85823802839929 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.7238942690953478
Energy: 0.6381956548983855
Energy: 0.7357349913934346
Energy: 0.7284508701740845
Energy: 0.6502232849890948
Energy: 0.6796510509861642
Energy: 0.6408609714139185
Energy: 0.6332908472956612
Energy: 0.6650747551191887
Energy: 0.6348285768879147
Energy: 0.660957462500939
Energy: 0.6550629297830824
Energy: 0.6402233130171864
Energy: 0.6651507182089197
Energy: 0.6278020479145187
Energy: 0.6351900111702584
Energy: 0.6816653563768473
Energy: 0.6614504969790558
Energy: 0.6738346851984597
Energy: 0.7118970494480041
Energy: 0.6464282413358035
Energy: 0.6429891483689782
Energy: 0.7112844977304433
Energy: 0.647022353108836
Energy: 0.7359658810319314
Energy: 0.679142189781563
Energy: 0.6337361219080568
Energy: 0.6754967135160062
Energy: 0.6765015957805964
Energy: 0.6630684326504175
Energy: 0.6706650844166668
Energy: 0.6520779340461854
Energy: 0.6820061081445684
Energy: 0.6553439509610499
Energy: 0.6345003802796791
Energy: 0.6960815731929035
Energy: 0.6735745324535782
Energy: 0.6356704726073386
Energy: 0.6349916979791469
Energy: 0.6313210447934173
Energy: 0.6404807692603774
Energy: 0.6640957899092421
Energy: 0.6465341863239995
Energy: 0.6347687228837666
Energy: 0.7085915167524723
Energy: 0.6369339544852486
Energy: 0.6658323113209481
Energy: 0.6892231107979288
Energy: 0.6395934527651165
Energy: 0.6809900739984667
Energy: 0.6514975519886576
Energy: 0.6694973380664292
Energy: 0.6710986589089131
Energy: 0.6345801085425555
Energy: 0.6923467482892165
Energy: 0.699968478499295
Energy: 0.6448766426653834
Energy: 0.6562059031741628
Energy: 0.6320777714802378
Energy: 0.6610672353528627
Energy: 0.6536359292886313
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Energy: 0.6408114304729102
Energy: 0.6430915829224226
Energy: 0.6800372356715423
Energy: 0.661830181106724
Energy: 0.6572290699255252
Energy: 0.6450079955325109
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Energy: 0.7110530338344248
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Energy: 0.6981212553926743
Energy: 0.7013604282016873
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Energy: 0.6312199075413928
Energy: 0.6480640955881882
Energy: 0.6621631929006532
Energy: 0.6586157285394545
Energy: 0.6393023043628817
Energy: 0.6484724486334887
Energy: 0.6656135901050052
Energy: 0.641070208249599
Energy: 0.674127586845668
Energy: 0.6467016715311615
Energy: 0.6543337944753824
Energy: 0.6523620891044007
Energy: 0.658976111559717
Energy: 0.6534716612588103
Energy: 0.7116253276937838
Energy: 0.6398825998279021
Energy: 0.7116955759914146
Energy: 0.689902692375375
Energy: 0.6570016336860113
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Energy: 0.6816463518782812
Energy: 0.6679954129166186
Energy: 0.6524246603057715
Energy: 0.6340353800463583
Energy: 0.6590023210810989
Energy: 0.6671653869619716
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Energy: 0.6415069433704388
Energy: 0.6792578920354593
Energy: 0.6555713101334099
Energy: 0.6464872554225847
Energy: 0.699322117801482
Energy: 0.6501281861851171
Energy: 0.6358896644868754
Energy: 0.6784690530830806
Energy: 0.6341081808430673
Energy: 0.6445159485736569
Energy: 0.6816011861336181
Energy: 0.6538754008790998
Energy: 0.6628975920581753
Energy: 0.703484953280053
Energy: 0.6297469592023589
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Energy: 0.7044316471852143
Energy: 0.6327525506345164
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Energy: 0.6410608603577236
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Energy: 0.7396348762415469
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Energy: 0.6359969869754674
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Energy: 0.6394544058943074
Energy: 0.6761648733443743
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Energy: 0.6915095562602047
Energy: 0.7414822436899696
Energy: 0.7040218283230738
Energy: 0.6933843918633592
Energy: 0.6792290121226503
Energy: 0.6730417583748767
Energy: 0.6305931052451591
Energy: 0.6791343505008067
Energy: 0.6526265555915238
Energy: 0.6366354893719419
Energy: 0.6367616944716944
Energy: 0.654002533746031
Energy: 0.6818830765840281
Energy: 0.6578600700238395
Energy: 0.6643236216095413
Energy: 0.7127123483822763
Energy: 0.6781563914668908
Energy: 0.6723455857411584
Energy: 0.7184345744660737
Energy: 0.6518764564259266
Energy: 0.6381044145215736
Energy: 0.7128505784305116
Energy: 0.6496341479220223
Energy: 0.7300167971431271
Energy: 0.6517766439586306
Energy: 0.6687250231270689
Energy: 0.6624893109781619
Energy: 0.6606844517620282
Energy: 0.6369373234219116
Energy: 0.6839048463181968
Energy: 0.6519355564447353
Energy: 0.641656215986479
Energy: 0.6559081861122673
Energy: 0.6583456863493667
Energy: 0.6943326198049733
Energy: 0.6678522692660721
Energy: 0.6414650956415231
Energy: 0.6354241549397038
Energy: 0.6358457584942044
Energy: 0.6392386875077025
Energy: 0.6617128858642628
Energy: 0.6372776116086469
Energy: 0.6630384163549542
Energy: 0.6421206262623889
Energy: 0.6332658915768004
Energy: 0.7030475939954649
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Energy: 0.677844127334228
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Energy: 0.7307741538822186
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Energy: 0.6922007098772167
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Energy: 0.6535039143707965
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Energy: 0.6488206768240821
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Energy: 0.7103281689415617
Energy: 0.7044322482680095
Energy: 0.6657997417607077
Energy: 0.65099871197379
Energy: 0.6729264535147437
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Energy: 0.6542948068617573
Energy: 0.6639490533152967
Energy: 0.6589179566897377
Energy: 0.6433971082329089
Energy: 0.6407593347482566
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Energy: 0.655484533722048
Energy: 0.6352447033798664
Energy: 0.657761453487436
Energy: 0.6541898750488543
Energy: 0.6468512133573447
Energy: 0.6756845569838844
Energy: 0.6368982111354964
Energy: 0.6452269136092378
Energy: 0.6860587131544581
Energy: 0.6926959591742686
Energy: 0.661867061637618
Energy: 0.7031115574955099
Energy: 0.6330737044102831
Energy: 0.6599199439907314
Energy: 0.6521407485273132
Energy: 0.6326032309360983
Energy: 0.6631093851376911
Energy: 0.6659595248432275
Energy: 0.662919969428342
Energy: 0.7066153196120536
Energy: 0.6710102309669668
Energy: 0.6346097062426229
Energy: 0.6367295701155288
Energy: 0.6725458049539174
Energy: 0.643260770832039
Energy: 0.6612198994492459
Energy: 0.640999704748383
Energy: 0.6506911098400974
Energy: 0.6743246080213819
Energy: 0.6771485428753934
Energy: 0.6962763228969381
Energy: 0.6694139639116938
Energy: 0.674287472604438
Energy: 0.6465846674888781
Energy: 0.7289133709768504
Energy: 0.6431687426074991
Energy: 0.6358614516390162
Energy: 0.6639009610023215
Energy: 0.6686311903700318
Energy: 0.6404534412757016
Energy: 0.6303558864813029
Energy: 0.6505385060930156
Energy: 0.6556823041072831
Energy: 0.6548745963794188
Energy: 0.6663686486879016
Energy: 0.6505416526296532
Energy: 0.6377171576134382
Energy: 0.6520737278539839
Energy: 0.6940221889770303
Energy: 0.6319391503041977
Energy: 0.6741646417636082
Energy: 0.7120374727840879
Energy: 0.6570114331308293
Energy: 0.6335815005034627
Energy: 0.6401049612949923
Energy: 0.6673888147351361
Energy: 0.6403894560158382
Energy: 0.7018906292139624
Energy: 0.7279335582004476
Energy: 0.6478247581598444
Energy: 0.6392914250874313

minimum gb energy = 0.6278020479145187 eV
minimum distance =  2.62996856551721 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.7506886587802576
Energy: 0.6400106469156575
Energy: 0.656183951660752
Energy: 0.641918907502794
Energy: 0.6986360039690425
Energy: 0.6623700989777191
Energy: 0.6418406365383308
Energy: 0.635420531822584
Energy: 0.6424073095889121
Energy: 0.640406226146045
Energy: 0.6402892692288863
Energy: 0.6309663383830464
Energy: 0.6820388338322667
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Energy: 0.6583400900794172
Energy: 0.7229680514542897
Energy: 0.6886016883055184
Energy: 0.648396870174564
Energy: 0.6752812499659293
Energy: 0.6429217747613865
Energy: 0.6418206710482639
Energy: 0.6256375345732045
Energy: 0.6484901052469132
Energy: 0.6598185579303114
Energy: 0.7150511109970403
Energy: 0.6673668826441863
Energy: 0.658138446924964
Energy: 0.6675736738944773
Energy: 0.628587762400435
Energy: 0.6283594531680695
Energy: 0.6943625040675572
Energy: 0.7159168796910497
Energy: 0.6548693985827869
Energy: 0.6401743071006766
Energy: 0.6507425119492113
Energy: 0.6247654500026297
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Energy: 0.7117313160624047
Energy: 0.6622079060672357
Energy: 0.6637407145065088
Energy: 0.6505120348405588
Energy: 0.6530052187207027
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Energy: 0.6406074341217222
Energy: 0.6873088627971322
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Energy: 0.7157041069761274
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Energy: 0.633375409265005
Energy: 0.6482676420364503
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Energy: 0.6622791817759548
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Energy: 0.6713036756575129
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Energy: 0.6482982610707764
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Energy: 0.6970014851965802
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Energy: 0.7144352696356483
Energy: 0.717874544595082
Energy: 0.6892101170002242
Energy: 0.6404733761749168
Energy: 0.6425182520346173
Energy: 0.6259573154770419
Energy: 0.6324464626993913
Energy: 0.6714234622928968
Energy: 0.6403220637136977
Energy: 0.6819894512328297
Energy: 0.6430348028970727
Energy: 0.6429785619920257
Energy: 0.6269392865208114
Energy: 0.6492736403922627
Energy: 0.6890905986414152
Energy: 0.6514240747452615
Energy: 0.6675425887635217
Energy: 0.6467296302168546
Energy: 0.6387607632285515
Energy: 0.6322280783288268
Energy: 0.6425369576343534
Energy: 0.6959325276515536
Energy: 0.6351997396560511
Energy: 0.65331188464669
Energy: 0.6695076000926782
Energy: 0.6404264435780702
Energy: 0.6425782301507433
Energy: 0.6499189243925846
Energy: 0.6565392808437176
Energy: 0.6612787766826277
Energy: 0.6639820388544154
Energy: 0.6541255692925909
Energy: 0.648587357826071
Energy: 0.6924118555006012
Energy: 0.6369136125690172
Energy: 0.6457741470934292
Energy: 0.632185249265345
Energy: 0.6449715989644053
Energy: 0.6660560381950168
Energy: 0.6469900440698649
Energy: 0.6455102782323588
Energy: 0.6601630143909484
Energy: 0.6483896821028354
Energy: 0.6365144307029642
Energy: 0.6438314401631906
Energy: 0.6705071015085725
Energy: 0.6518197302977065
Energy: 0.6694520990490378
Energy: 0.6637090581739226
Energy: 0.64853045649253
Energy: 0.6349220380359969
Energy: 0.6490498798510385
Energy: 0.6538522376451628
Energy: 0.642358859478298
Energy: 0.6270242058150437
Energy: 0.6434255088639783
Energy: 0.6941130778653143
Energy: 0.7937119585452767
Energy: 0.6716266703765343
Energy: 0.6473608283827933
Energy: 0.6510801336430534
Energy: 0.6385385457166795
Energy: 0.6430303830879726
Energy: 0.6873387447944119
Energy: 0.6377695758558967
Energy: 0.6775080389499224
Energy: 0.6402301985491676
Energy: 0.6391634060435295
Energy: 0.633690900875711
Energy: 0.6545414420835864
Energy: 0.6604673488533824
Energy: 0.7268465407020295
Energy: 0.6757503812329764
Energy: 0.7202807586862671
Energy: 0.6439138593017817
Energy: 0.6285719523961357
Energy: 0.6511998140024794
Energy: 0.6650582798302428
Energy: 0.6444929620413413
Energy: 0.7002425447371058
Energy: 0.6465791207474517
Energy: 0.6494249955852703
Energy: 0.626297400760595
Energy: 0.6481552822877291
Energy: 0.7150822937520176
Energy: 0.6447919736754223
Energy: 0.6634011918468882
Energy: 0.6427382076656
Energy: 0.6577694773455928
Energy: 0.6297400832293155
Energy: 0.6410239256655045
Energy: 0.6955814171033001
Energy: 0.6338550817920398
Energy: 0.642859753006438
Energy: 0.6438225776789256
Energy: 0.6606450741005461
Energy: 0.6531114286090617
Energy: 0.6438650959821808
Energy: 0.6973369105892975
Energy: 0.6365804170224473
Energy: 0.6540884396923728
Energy: 0.6441005798666107
Energy: 0.6473511352146388
Energy: 0.6768476563965888
Energy: 0.6798878819350829
Energy: 0.6458442634446959
Energy: 0.639663998383622
Energy: 0.6430934151886621
Energy: 0.6559138223362042
Energy: 0.6438430840505386
Energy: 0.6481147319160554
Energy: 0.6575513407157062
Energy: 0.6605633685583114

minimum gb energy = 0.6247654500026297 eV
minimum distance =  2.62479610892363 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.6470229657471065
Energy: 0.6430519790435298
Energy: 0.6685864593216152
Energy: 0.6335227116872318
Energy: 0.645918043462004
Energy: 0.6774839685300342
Energy: 0.6416861496034251
Energy: 0.6434511310864575
Energy: 0.6472001887528795
Energy: 0.6727907452425544
Energy: 0.6461364215393134
Energy: 0.6455082998807697
Energy: 0.6582227817041103
Energy: 0.6854804205722903
Energy: 0.682922777944785
Energy: 0.6515494274239123
Energy: 0.6810282267018556
Energy: 0.6320843810266933
Energy: 0.6660651125211628
Energy: 0.6397779023632035
Energy: 0.6295094052881822
Energy: 0.6525437663602365
Energy: 0.6456464049695994
Energy: 0.640602465759077
Energy: 0.6514606760927883
Energy: 0.683394820477595
Energy: 0.6544975189325005
Energy: 0.6419125012621237
Energy: 0.6740352058349709
Energy: 0.66891118833148
Energy: 0.6800521190599482
Energy: 0.647921952414183
Energy: 0.6520616449234863
Energy: 0.654122126052851
Energy: 0.6583183020212341
Energy: 0.6368247949439254
Energy: 0.6427448869655162
Energy: 0.6551201163413851
Energy: 0.630607689495328
Energy: 0.6753586544899626
Energy: 0.6508369297469051
Energy: 0.6519572786996684
Energy: 0.6583122640209845
Energy: 0.6402006532974197
Energy: 0.6700891192268857
Energy: 0.6266744115102035
Energy: 0.6287248965702091
Energy: 0.6470091188092494
Energy: 0.6397872365146572
Energy: 0.6580271144190075
Energy: 0.6648687043048528
Energy: 0.6436277460532006
Energy: 0.653613848839309
Energy: 0.6689163769094781
Energy: 0.673382348505061
Energy: 0.6690920050285528
Energy: 0.6505589679617196
Energy: 0.6329756070168928
Energy: 0.6822700953803826
Energy: 0.6346252838183473
Energy: 0.6701600361111028
Energy: 0.6277919743491314
Energy: 0.6367955297018486
Energy: 0.6545157476583886
Energy: 0.6794188535612434
Energy: 0.6345890023139394
Energy: 0.6900295148142227
Energy: 0.6541118710544752
Energy: 0.6515117910679001
Energy: 0.6970663203201866
Energy: 0.6550076449103371
Energy: 0.6481799130698841
Energy: 0.6582567096464306
Energy: 0.645144240258663
Energy: 0.6663191087356742
Energy: 0.652285809905741
Energy: 0.6486198716555653
Energy: 0.6531473358727862
Energy: 0.6493627044211906
Energy: 0.6460989407891065
Energy: 0.6374770527297771
Energy: 0.6417077437424104
Energy: 0.6563826882381251
Energy: 0.6562586814157618
Energy: 0.6380545107994804
Energy: 0.6192357431495759
Energy: 0.6515167992226746
Energy: 0.6331469179174365
Energy: 0.658502741518617
Energy: 0.6352150875744005
Energy: 0.6289357576778991
Energy: 0.6402724662845882
Energy: 0.676782521863964
Energy: 0.6570481282644122
Energy: 0.7077739630380696
Energy: 0.6473979173410086
Energy: 0.6501362807685336
Energy: 0.662656175206512
Energy: 0.6358094806103166
Energy: 0.6498681542989433
Energy: 0.6638040881500655
Energy: 0.6096093172448672
Energy: 0.6498736367362329
Energy: 0.6487438394574357
Energy: 0.6331318995902859
Energy: 0.6584598892657552
Energy: 0.6993909146295247
Energy: 0.6356157666614193
Energy: 0.6376273544269971
Energy: 0.6491264217282987
Energy: 0.648008820462355
Energy: 0.6516092891292913
Energy: 0.6546133678769428
Energy: 0.6473205694437996
Energy: 0.6458882953695931
Energy: 0.7002048630704468
Energy: 0.6521146829746045
Energy: 0.7128452500960408
Energy: 0.6633900737340331
Energy: 0.6320570747029156
Energy: 0.6867405873319321
Energy: 0.6543017549799862
Energy: 0.658652336880753
Energy: 0.6461770769771816
Energy: 0.6224011137683052
Energy: 0.6513757604874306
Energy: 0.6675654428202761
Energy: 0.635086921357797
Energy: 0.6407183632598147
Energy: 0.6651499161586828
Energy: 0.6558201193205778
Energy: 0.6509490627272053
Energy: 0.6467533981862347
Energy: 0.654668118639701
Energy: 0.6706198802410145
Energy: 0.6426598935599455
Energy: 0.6897139045382502
Energy: 0.744718882638575
Energy: 0.6944493884206351
Energy: 0.701408744640486
Energy: 0.6374722297453836
Energy: 0.6430898201683097
Energy: 0.6432526003413841
Energy: 0.63254045180955
Energy: 0.6443660873113827
Energy: 0.6418682025096208
Energy: 0.6193043571389611
Energy: 0.6328272454650795
Energy: 0.6877205853080095
Energy: 0.6510229166757795
Energy: 0.666060429227596
Energy: 0.6588943836919317
Energy: 0.6572153369762034
Energy: 0.6437494109836728
Energy: 0.6584829163707786
Energy: 0.6214616291488524
Energy: 0.666065003313883
Energy: 0.6491559958831281
Energy: 0.6786647003124219
Energy: 0.6548172954187422
Energy: 0.6443920435318292
Energy: 0.6327866229436929
Energy: 0.678330381907412
Energy: 0.6425097684699228
Energy: 0.6383027708520964
Energy: 0.6384184408490815
Energy: 0.6363336846040434
Energy: 0.6478564217643368
Energy: 0.6471186976912588
Energy: 0.6574598572289476
Energy: 0.6417844358732216
Energy: 0.6199560196271389
Energy: 0.6518775217114521
Energy: 0.6477612439643449
Energy: 0.6470715916967756
Energy: 0.6617448937953627
Energy: 0.6690025859016068
Energy: 0.6782769010949229
Energy: 0.6922213004602943
Energy: 0.7390161536257988
Energy: 0.7077165072805188
Energy: 0.7361073744268898
Energy: 0.6540386280007848
Energy: 0.6510855466594987
Energy: 0.6442018658475419
Energy: 0.659660592074081
Energy: 0.6485758450157535
Energy: 0.6601218436841423
Energy: 0.6523108732481031
Energy: 0.670177490240529
Energy: 0.6705521603416175
Energy: 0.6431875853987253
Energy: 0.6268370140515587
Energy: 0.6514553781621882
Energy: 0.6334204397630364
Energy: 0.654597238205331
Energy: 0.6739674040538123
Energy: 0.6656465606785616
Energy: 0.6573577695285516
Energy: 0.689809215037131
Energy: 0.6588929624272488
Energy: 0.6544549309302339
Energy: 0.6736366151793006
Energy: 0.6496403500694682
Energy: 0.6804356899242036
Energy: 0.6419757224068893
Energy: 0.6861681675255283
Energy: 0.6352216531242518
Energy: 0.633559201569395
Energy: 0.7034922647058718
Energy: 0.6520480687956868
Energy: 0.6401947365365638
Energy: 0.7002667353871329
Energy: 0.6363442197205254
Energy: 0.6413209718764217
Energy: 0.6308151218148995
Energy: 0.6267101519967859
Energy: 0.6442995669462259
Energy: 0.6739995351633299
Energy: 0.6521307077745627
Energy: 0.7140530870536991
Energy: 0.6608095954507752
Energy: 0.6452109802633591
Energy: 0.6601211046761531
Energy: 0.6455671371152993
Energy: 0.6394927442245668
Energy: 0.6623979262705518
Energy: 0.6348321668513878
Energy: 0.6409881623131691
Energy: 0.6465040113043367
Energy: 0.6437905912235006
Energy: 0.6423036834819774
Energy: 0.6419721566530112
Energy: 0.6653310777924033
Energy: 0.6387893937341526
Energy: 0.6668213496600126
Energy: 0.6551829376175796
Energy: 0.6425205252648586
Energy: 0.6547893328489096
Energy: 0.6609794684593824
Energy: 0.6585132510093248
Energy: 0.6661511719917836
Energy: 0.6815075341693233
Energy: 0.6457884283113653
Energy: 0.6580761872416395
Energy: 0.6341399246389722
Energy: 0.6931496641351278
Energy: 0.6743128272777046
Energy: 0.6895928154189394
Energy: 0.6465559606464361
Energy: 0.6492738229359581
Energy: 0.656802065031196

minimum gb energy = 0.6096093172448672 eV
minimum distance =  2.64053344705585 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.5903236319860459
Energy: 0.576980176339332
Energy: 0.8351998854712627
Energy: 0.739831520573695
Energy: 0.668034010327829
Energy: 0.6973040005882307
Energy: 0.5769582029177929
Energy: 0.5786019470007825
Energy: 0.653632664234981
Energy: 0.6285830734503947
Energy: 0.6749985972984117
Energy: 0.6284411489814036
Energy: 0.6411429115458583
Energy: 0.6349701999561124
Energy: 0.6394226491772446
Energy: 0.6218098399882965
Energy: 0.6285432202764463
Energy: 0.6695771469632597
Energy: 0.6288680492820194
Energy: 0.6403823604714288
Energy: 0.6382568219148289
Energy: 0.6356965778414588
Energy: 0.6340535692698511
Energy: 0.627004293873743
Energy: 0.6341319976353366
Energy: 0.6672321004456784
Energy: 0.6309295097310723
Energy: 0.7506919987594405
Energy: 0.6406330001407932
Energy: 0.6276013130864164
Energy: 0.6675780096592954
Energy: 0.6311034399513917
Energy: 0.65812470083619
Energy: 0.6368893379703512
Energy: 0.637870938420676
Energy: 0.5759227795946968
Energy: 0.6280795272190516
Energy: 0.6293536276143853
Energy: 0.6193825606913311
Energy: 0.6530606063130774
Energy: 0.6420418195439448
Energy: 0.6489961611190301
Energy: 0.6358310939182508
Energy: 0.6473316304207395
Energy: 0.6272872085289718
Energy: 0.6752642680505524
Energy: 0.5772307127467885
Energy: 0.5788916045154546
Energy: 0.6366791392244485
Energy: 0.5781908981147018
Energy: 0.6537936819977954
Energy: 0.6865042222062419
Energy: 0.62125178008317
Energy: 0.7020937180388284
Energy: 0.6306442327622046
Energy: 0.6483991328548202
Energy: 0.5782741845618956
Energy: 0.6546601991043237
Energy: 0.6589992018895915
Energy: 0.6216473472459763
Energy: 0.6259430173620203
Energy: 0.6297634131183976
Energy: 0.64618282156513
Energy: 0.6356998365509321
Energy: 0.6449340158835812
Energy: 0.6312567427541461
Energy: 0.667621757955965
Energy: 0.6299216440628336
Energy: 0.6384244165518294
Energy: 0.6386819595899597
Energy: 0.6368418646825673
Energy: 0.6214404426848841
Energy: 0.6293528338726335
Energy: 0.6204662729757298
Energy: 0.6260877335636597
Energy: 0.654505071980568
Energy: 0.6901887896248537
Energy: 0.6481198728707853
Energy: 0.6281513205728432
Energy: 0.6187956926986999
Energy: 0.6206537675515318
Energy: 0.6754106302629206
Energy: 0.6284531551506789
Energy: 0.6457724772971536
Energy: 0.5779322267234717
Energy: 0.6276718315045228
Energy: 0.7036626843639417
Energy: 0.6350229788779095
Energy: 0.6973320191694815
Energy: 0.6315064574134074
Energy: 0.6387515910460572
Energy: 0.6354898024073822
Energy: 0.6220390457872581
Energy: 0.6286451659175889
Energy: 0.7121717441838505
Energy: 0.5775173236153234
Energy: 0.5786626731239962
Energy: 0.6356720907326449
Energy: 0.5760121961618468
Energy: 0.6414120690178561
Energy: 0.6297090000070671
Energy: 0.6591530390046333
Energy: 0.5770300072990947
Energy: 0.5761225298097793
Energy: 0.6362365752546781
Energy: 0.5764995841518599
Energy: 0.628454213827242
Energy: 0.8151542376237151
Energy: 0.6317295809569247
Energy: 0.668164208321814
Energy: 0.6973189604769322
Energy: 0.5769252337571802
Energy: 0.6393349361286575
Energy: 0.6523039339209019
Energy: 0.6283288061169132
Energy: 0.6750207447470787
Energy: 0.6281529292565279
Energy: 0.640389221878784
Energy: 0.6478252252116256
Energy: 0.6395129594511404
Energy: 0.6215165442557298
Energy: 0.6281958344266609
Energy: 0.6707724544290585
Energy: 0.628721930818025
Energy: 0.6402785612443045
Energy: 0.638482952616923
Energy: 0.6357645773503252
Energy: 0.620964987836768
Energy: 0.6272023437911642
Energy: 0.6341786717975534
Energy: 0.6670961545843223
Energy: 0.6310713891987141
Energy: 0.74693026596067
Energy: 0.6407605605252648
Energy: 0.6277712516509388
Energy: 0.6675843761405179
Energy: 0.6310897608850993
Energy: 0.6867686846915778
Energy: 0.6375379894275016
Energy: 0.6388248048127887
Energy: 0.5759052406086466
Energy: 0.6278182342488646
Energy: 0.6295461024147245
Energy: 0.6192816566442175
Energy: 0.6523796148647671
Energy: 0.5762102108618515
Energy: 0.6459399723201117
Energy: 0.6359452714067583
Energy: 0.6435994452583373
Energy: 0.627095906345823
Energy: 0.6757658535508783
Energy: 0.5769601671549845
Energy: 0.5787426744326145
Energy: 0.6486459830652278
Energy: 0.5778567802076159
Energy: 0.6545871276656345
Energy: 0.6858124613476922
Energy: 0.6213801271450752
Energy: 0.7016928657024664
Energy: 0.6308565267693719
Energy: 0.6470197253799922
Energy: 0.5787266524757846
Energy: 0.6543869129281273
Energy: 0.674629781254691
Energy: 0.6223014158592288
Energy: 0.6262125825826593
Energy: 0.6315777114243442
Energy: 0.646121277968322
Energy: 0.6358177280798321
Energy: 0.6192035579771608
Energy: 0.6311438465755238
Energy: 0.667634268480234
Energy: 0.62973789964628
Energy: 0.6390008712613808
Energy: 0.6387616208264908
Energy: 0.6366449231476285
Energy: 0.621659434887725
Energy: 0.6282473294539633
Energy: 0.620418164949696
Energy: 0.626057699850323
Energy: 0.6293156178261591
Energy: 0.6892170394184358
Energy: 0.6482180185296524
Energy: 0.628389100453198
Energy: 0.6191084592228243
Energy: 0.6207843004871842
Energy: 0.6585748634171879
Energy: 0.6285523601873371
Energy: 0.6460484292235686
Energy: 0.5780147793952674
Energy: 0.626846427422747
Energy: 0.70356403870944
Energy: 0.6345987575831087
Energy: 0.6961627270684585
Energy: 0.6312656484159648
Energy: 0.6385753822456836
Energy: 0.6371620708425797
Energy: 0.6221569073531579
Energy: 0.6286131606253038
Energy: 0.6953444467341091
Energy: 0.5776862769460085
Energy: 0.5785433215601989
Energy: 0.635954904237991
Energy: 0.5762335558282649
Energy: 0.6420083321257455
Energy: 0.6290814572574855
Energy: 0.6187656331142788
Energy: 0.5768606001765045
Energy: 0.5760868729701525
Energy: 0.6366002097554311

minimum gb energy = 0.5759052406086466 eV
minimum distance =  2.66444844199038 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.773439375988357
Energy: 0.7568154716121283
Energy: 0.6318895272569044
Energy: 0.637209069211155
Energy: 0.6409289221431871
Energy: 0.6127304039888402
Energy: 0.7518528865363096
Energy: 0.6353369338074129
Energy: 0.5813394908692694
Energy: 0.6385193335808017
Energy: 0.608101622815121
Energy: 0.6278228534784246
Energy: 0.6120463735514949
Energy: 0.712664924168052
Energy: 0.614196539046859
Energy: 0.6163225068593082
Energy: 0.6399203156514894
Energy: 0.6356130211438755
Energy: 0.7120406967676329
Energy: 0.691355885807949
Energy: 0.7137333786252497
Energy: 0.7769860195099103
Energy: 0.6002083853999006
Energy: 0.6084151632027742
Energy: 0.6055217894785955
Energy: 0.6016315792347603
Energy: 0.5881171776885545
Energy: 0.6390352782853045
Energy: 0.6084378421487557
Energy: 0.5834584904657134
Energy: 0.6384379711141541
Energy: 0.6061673061649689
Energy: 0.5813721482521573
Energy: 0.6401775211380302
Energy: 0.6341227585003815
Energy: 0.5906372030392241
Energy: 0.5881037207167131
Energy: 0.6385593436650788
Energy: 0.6125362491859179
Energy: 0.6115330010927719
Energy: 0.6276039763949243
Energy: 0.6338291176630034
Energy: 0.6979337178858774
Energy: 0.6139576783116877
Energy: 0.5882792191844212
Energy: 0.5811578076351013
Energy: 0.5910272746145203
Energy: 0.5943211474200161
Energy: 0.6354369781099986
Energy: 0.6162222681185733
Energy: 0.5827951693470693
Energy: 0.6399560063757086
Energy: 0.7249793575882025
Energy: 0.5870247641009436
Energy: 0.6293577018476342
Energy: 0.6339903658380692
Energy: 0.6220003237329413
Energy: 0.5830162507530218
Energy: 0.6894457277560867
Energy: 0.636699443159553
Energy: 0.5890482091193507
Energy: 0.629298797006224
Energy: 0.6325135704826094
Energy: 0.6904443927740995
Energy: 0.671567837141108
Energy: 0.6325582378158352
Energy: 0.6318225856677063
Energy: 0.6182645973363697
Energy: 0.633617568712839
Energy: 0.6970312565528778
Energy: 0.6133677026731896
Energy: 0.6591574624916764
Energy: 0.636650726441658
Energy: 0.6162680968403658
Energy: 0.6254540623674303
Energy: 0.603252926305816
Energy: 0.6290514545092507
Energy: 0.6130629047843812
Energy: 0.6048619151424981
Energy: 0.6444864766301773
Energy: 0.5688001520510461
Energy: 0.752519595878375
Energy: 0.7521025148638169
Energy: 0.7213611890061623
Energy: 0.7503476491363876
Energy: 0.6884006160398921
Energy: 0.6627315603958337
Energy: 0.6380591159543506
Energy: 0.655438080863516
Energy: 0.5882079212173197
Energy: 0.5915377552107924
Energy: 0.7496182216159344
Energy: 0.5875620959624369
Energy: 0.6412429547479196
Energy: 0.6286976572513729
Energy: 0.6074943847653536
Energy: 0.6534520608980623
Energy: 0.6239176119027855
Energy: 0.6152519364399301
Energy: 0.5827096867361541
Energy: 0.6332981076254786
Energy: 0.6308888333802223
Energy: 0.7924416847476947
Energy: 0.7753974451519855
Energy: 0.7230237003729827
Energy: 0.7766384514360902
Energy: 0.5835452598751226
Energy: 0.6538625182965366
Energy: 0.6279832451392341
Energy: 0.5670788997072456
Energy: 0.6562946259631687
Energy: 0.6350401251236187
Energy: 0.6085012546581707
Energy: 0.6289608494390697
Energy: 0.641323725736034
Energy: 0.6081004096145947
Energy: 0.5671085115549908
Energy: 0.6230934615070619
Energy: 0.6339653230398774
Energy: 0.5907908512843323
Energy: 0.5810780140709486
Energy: 0.6650020747031656
Energy: 0.6136286094609216
Energy: 0.5969688424511443
Energy: 0.6342181210844917
Energy: 0.6348709655924093
Energy: 0.5896131890332876
Energy: 0.5966658242904275
Energy: 0.63165604691054
Energy: 0.6612783082373055
Energy: 0.6152758218815765
Energy: 0.5906274678320074
Energy: 0.6362123642546458
Energy: 0.6194847010227195
Energy: 0.5830272660637094
Energy: 0.6574938229745062
Energy: 0.6626695776354995
Energy: 0.582526503406638
Energy: 0.608946263740216
Energy: 0.6343721989368601
Energy: 0.5883626900103972
Energy: 0.5833314443444062
Energy: 0.6185406428138482
Energy: 0.7393529148686113
Energy: 0.5967926456237288
Energy: 0.6387739710575443
Energy: 0.6430068831097328
Energy: 0.6931796346839523
Energy: 0.6094047974025147
Energy: 0.631764980760147
Energy: 0.6562904996274144
Energy: 0.5992562370617657
Energy: 0.6223853803397927
Energy: 0.6288716618920199
Energy: 0.6991284513282725
Energy: 0.5891062140492002
Energy: 0.6078154069027923
Energy: 0.6544977150687377
Energy: 0.6167415213625179
Energy: 0.63803499119259
Energy: 0.6239813762726625
Energy: 0.614413042896779
Energy: 0.6051031127002638
Energy: 0.6076243758670645
Energy: 0.6305008211500199
Energy: 0.7515291587227996
Energy: 0.7527129101055955
Energy: 0.7218059193551147
Energy: 0.7489406436505586
Energy: 0.6381155298769563
Energy: 0.6007288107127857
Energy: 0.6596662507691958
Energy: 0.6142876444227782
Energy: 0.6482270968785969
Energy: 0.6241733808781783

minimum gb energy = 0.5670788997072456 eV
minimum distance =  2.6417064266746 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.7605653939043655
Energy: 0.742802894424798
Energy: 0.8346443651925227
Energy: 0.6751042595194113
Energy: 0.7503616248618752
Energy: 0.7649192951490498
Energy: 0.8249775589143362
Energy: 0.7388099802936595
Energy: 0.7748581748391108
Energy: 0.7067122169386849
Energy: 0.692374063058564
Energy: 0.6340168145732715
Energy: 0.6130951020853129
Energy: 0.7972838761764325
Energy: 0.7585430018191929
Energy: 0.7375736266292058
Energy: 0.7311294978099429
Energy: 0.6957184333498887
Energy: 0.6926380535988472
Energy: 0.7180453771313206
Energy: 0.634272996898582
Energy: 0.7319134340698105
Energy: 0.6701390270617763
Energy: 0.7179317839768335
Energy: 0.7504610298820845
Energy: 0.8015298528536433
Energy: 0.773900454414951
Energy: 0.6789582967458019
Energy: 0.6446762124207926
Energy: 0.6345266663550567
Energy: 0.685391469364311
Energy: 0.7200788675784474
Energy: 0.7051400453670396
Energy: 0.6739467587095794
Energy: 0.6905035430809497
Energy: 0.673206906434987
Energy: 0.6673964446399235
Energy: 0.6875412058481616
Energy: 0.6745677290303999
Energy: 0.7085168861975689
Energy: 0.7109522033269965
Energy: 0.6336727454207578
Energy: 0.6924412240376238
Energy: 0.6062985448215142
Energy: 0.7486357663718216
Energy: 0.68954134099372
Energy: 0.6496065379853452
Energy: 0.6914659170854129
Energy: 0.6230476824393055
Energy: 0.6252110552924851
Energy: 0.673202230693322
Energy: 0.646021872513738
Energy: 0.6713359545766366
Energy: 0.6312874573041368
Energy: 0.6495978831557867
Energy: 0.6614470652144255
Energy: 0.6276518689211593
Energy: 0.6653350145683424
Energy: 0.6824766105925996
Energy: 0.6301344640356557
Energy: 0.6842778514569727
Energy: 0.6756093703487052
Energy: 0.6866402641812381
Energy: 0.7293656000772242
Energy: 0.6524546286009085
Energy: 0.6561352823347655
Energy: 0.6388230408025225
Energy: 0.643399873066892
Energy: 0.6454966872292992
Energy: 0.6517262584856666
Energy: 0.6905946892765861
Energy: 0.6697561778735843
Energy: 0.607560106567213
Energy: 0.6102820157175276
Energy: 0.6381470055823013
Energy: 0.65316351886558
Energy: 0.652429546828422
Energy: 0.6259322480337759
Energy: 0.6663958387494365
Energy: 0.7112834196003351
Energy: 0.6468119456027175
Energy: 0.6520309113918906
Energy: 0.7184646343672495
Energy: 0.6624848830478566
Energy: 0.7423306616369632
Energy: 0.639383855716581
Energy: 0.6863196042416558
Energy: 0.6671355826939603
Energy: 0.6788620026678766
Energy: 0.652760681947895
Energy: 0.6143728718112557
Energy: 0.7001662887255665
Energy: 0.6435412866268255
Energy: 0.6945046634218038
Energy: 0.6748852742801681
Energy: 0.6302923499102033
Energy: 0.6716014017197034
Energy: 0.6189308813970242
Energy: 0.6534181817937152
Energy: 0.6970327641370117
Energy: 0.6727951853647425
Energy: 0.6048670685886309
Energy: 0.6130272099881743
Energy: 0.678044753003762
Energy: 0.7374911535350699
Energy: 0.608803207294047
Energy: 0.6587897037892476
Energy: 0.6964826579015622
Energy: 0.6524017351963738
Energy: 0.6326828657518786
Energy: 0.6543255311871712
Energy: 0.6831360493705122
Energy: 0.6883190649152573
Energy: 0.7411312988693036
Energy: 0.7470045996156475
Energy: 0.671929232088991
Energy: 0.6737928320259952
Energy: 0.7251522586334584
Energy: 0.7141156351194567
Energy: 0.6835222684672333
Energy: 0.7746678168199999
Energy: 0.7173581384274603
Energy: 0.687366902849615
Energy: 0.647167129460043
Energy: 0.7112229501458418
Energy: 0.7081827537343482
Energy: 0.7203630037713602
Energy: 0.7741473687908543
Energy: 0.6318982918381096
Energy: 0.6390350520336054
Energy: 0.6500562958618712
Energy: 0.660606866000635
Energy: 0.6615781118907686
Energy: 0.748830755383334
Energy: 0.7189552080216507
Energy: 0.7788821013000765
Energy: 0.7743052989935708
Energy: 0.8012580755267334
Energy: 0.7724485484892617
Energy: 0.7131060303802262
Energy: 0.6068306814747816
Energy: 0.6668501574128752
Energy: 0.651522784035168
Energy: 0.6797464150375724
Energy: 0.7621185961818828
Energy: 0.69314051515493
Energy: 0.7152572540178628
Energy: 0.7196359143404657
Energy: 0.6801916024592065
Energy: 0.712613434064018
Energy: 0.7359150589968289
Energy: 0.6727195444858586
Energy: 0.6422063910808006
Energy: 0.7288866186976972
Energy: 0.755474187807685
Energy: 0.680377100342005
Energy: 0.7785976645764743
Energy: 0.7089189649177006
Energy: 0.7244244687497406
Energy: 0.779920022434093
Energy: 0.7512109163910574
Energy: 0.7373117435381917
Energy: 0.6670218720717409
Energy: 0.6555427646584961
Energy: 0.7029411360433606
Energy: 0.648406385768785
Energy: 0.6445133287293686
Energy: 0.7272793116784906
Energy: 0.7072217036139601
Energy: 0.6813767371171217
Energy: 0.7449999016485783
Energy: 0.7156439802494639
Energy: 0.6839693629024858
Energy: 0.6720836760116289
Energy: 0.6900031808371162
Energy: 0.704385746400757
Energy: 0.7584495547808007
Energy: 0.7628739826604863
Energy: 0.7648711380138066
Energy: 0.7334153152021842
Energy: 0.7739830645346952
Energy: 0.6572238706612294
Energy: 0.6003220925782972
Energy: 0.6617922535073651
Energy: 0.6836904106149477
Energy: 0.6678019307854751
Energy: 0.6822554275554996
Energy: 0.7043010415403638
Energy: 0.706648516670461
Energy: 0.6719749542471626
Energy: 0.6798912523575931
Energy: 0.705961905442844
Energy: 0.6556095984701757
Energy: 0.6989891214444288
Energy: 0.6945984416253016
Energy: 0.6341079473412736
Energy: 0.6841425025163548
Energy: 0.6227910276494628
Energy: 0.7134063892729
Energy: 0.6684593156322964
Energy: 0.6426172944836589
Energy: 0.7131054999565957
Energy: 0.6813374339672394
Energy: 0.7172551960911344
Energy: 0.6650086632545302
Energy: 0.6852444607732637
Energy: 0.6485077952178896
Energy: 0.6369111233131931
Energy: 0.6437083368902078
Energy: 0.6660070193598502
Energy: 0.6418148294998808
Energy: 0.667068640235396
Energy: 0.6899206660126694
Energy: 0.6899331413403619
Energy: 0.7027678025449486
Energy: 0.6752262279136726
Energy: 0.7034740842873072
Energy: 0.6555900252797934
Energy: 0.6536321819394362
Energy: 0.644163892494407
Energy: 0.6115967943033518
Energy: 0.6197490621082096
Energy: 0.6629995697749326
Energy: 0.6556449650674198
Energy: 0.6710917981702919
Energy: 0.6319827598236127
Energy: 0.6314635620007935
Energy: 0.6452508013849725
Energy: 0.6686925598397225
Energy: 0.6754508520660749
Energy: 0.656494202564627
Energy: 0.6290050285230703
Energy: 0.6650377803408068
Energy: 0.7094800202042583
Energy: 0.6850688658009256
Energy: 0.7092079340019054
Energy: 0.7274630010829238
Energy: 0.6691938058336998
Energy: 0.7471194964389077
Energy: 0.6369832768649576
Energy: 0.6812785265557695
Energy: 0.6552828876654289
Energy: 0.6513920278412547
Energy: 0.6271358915942156
Energy: 0.6397875075936589
Energy: 0.6983452416027509
Energy: 0.6439950047753983
Energy: 0.6811595446917685
Energy: 0.6400756410225906
Energy: 0.6435134736495888
Energy: 0.6820942602391921
Energy: 0.6620912677471023
Energy: 0.6540585065041195
Energy: 0.6225241143477822
Energy: 0.6611689572060732
Energy: 0.6258141313828193
Energy: 0.6567496883048458
Energy: 0.707186728131775
Energy: 0.7299929035651963
Energy: 0.6094368709498071
Energy: 0.6294069170223174
Energy: 0.6907942422711779
Energy: 0.6684973484434149
Energy: 0.6664348040344433
Energy: 0.6563573208173191
Energy: 0.6734117362951261
Energy: 0.6932558479869654
Energy: 0.6608299346672988
Energy: 0.7459955734286405
Energy: 0.7379427705953641
Energy: 0.7145517465425215
Energy: 0.7259437578959306
Energy: 0.6509885419731322
Energy: 0.6848744200091502
Energy: 0.6575425560727224
Energy: 0.7365837008374597
Energy: 0.7187806074626828
Energy: 0.6392395481667456
Energy: 0.6842520075446186
Energy: 0.6406343310776692
Energy: 0.7488053621021313
Energy: 0.6622439585570535
Energy: 0.6745172889025612
Energy: 0.7078590809536907
Energy: 0.6903805418548004
Energy: 0.6626607294804441
Energy: 0.7215996678977182
Energy: 0.7713098593780364
Energy: 0.7393343484706316
Energy: 0.7893203241027906
Energy: 0.7851918345561777
Energy: 0.7399840294499228
Energy: 0.7723973335778176
Energy: 0.7294079002328067
Energy: 0.7085836209607471
Energy: 0.6479372418775441
Energy: 0.6631952078348925
Energy: 0.7371336028699618
Energy: 0.6658766900327013
Energy: 0.6542918740846277
Energy: 0.7075804046608213
Energy: 0.7194623849005377
Energy: 0.6704998677041557
Energy: 0.7117380264604951
Energy: 0.6574820314154884
Energy: 0.7515526790318424
Energy: 0.6942209878936598
Energy: 0.6746087577786726
Energy: 0.7627792794403653
Energy: 0.7204479394213802
Energy: 0.7870607331395361
Energy: 0.7222758254988884
Energy: 0.6593208312228742
Energy: 0.7626542583708577
Energy: 0.735395578998813

minimum gb energy = 0.6003220925782972 eV
minimum distance =  2.59281337934818 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.6766810127477018
Energy: 0.6533713470780761
Energy: 0.6580717362686541
Energy: 0.6588442277840122
Energy: 0.6611790061048747
Energy: 0.6564651066824798
Energy: 0.653892265339458
Energy: 0.6778503054786551
Energy: 0.7343308100580945
Energy: 0.6038300630392005
Energy: 0.6047423486856782
Energy: 0.604436048858596
Energy: 0.6048830279924247
Energy: 0.7343872284702408
Energy: 0.6528272585340319
Energy: 0.7942529414204554
Energy: 0.6040255713773582
Energy: 0.603135716998224
Energy: 0.6036847282141033
Energy: 0.6038126410814534
Energy: 0.6583435902581684
Energy: 0.6529209059377136
Energy: 0.7934333723598648
Energy: 0.6032916468333194
Energy: 0.6036149778943933
Energy: 0.6029687674488288
Energy: 0.603647738455959
Energy: 0.6567140147442396
Energy: 0.677720244911846
Energy: 0.734358099340912
Energy: 0.6121799014473911
Energy: 0.7357022794626138
Energy: 0.6048308741038121
Energy: 0.6124344014447894
Energy: 0.735239398430087
Energy: 0.6566276256412459
Energy: 0.8445096214494887
Energy: 0.6035854061236707
Energy: 0.6589776690144717
Energy: 0.6615736544624116
Energy: 0.6038437776340796
Energy: 0.6543588875770314
Energy: 0.6531996508864648
Energy: 0.7928684046030569
Energy: 0.6042338861852075
Energy: 0.6041178814784968
Energy: 0.6041356933155312
Energy: 0.6038377415972105
Energy: 0.7350801467885884
Energy: 0.6529577513005179
Energy: 0.7937008345056171
Energy: 0.6042244431935154
Energy: 0.6037096293083682
Energy: 0.6041430861443325
Energy: 0.6041681624707648
Energy: 0.7343284866534646
Energy: 0.6549943934196273
Energy: 0.8458741007701596
Energy: 0.6032151497109153
Energy: 0.6600485303224874
Energy: 0.6629870674802631
Energy: 0.6039611887699119
Energy: 0.6551176963194949
Energy: 0.6784140263007793
Energy: 0.735290152052755
Energy: 0.6113655333332443
Energy: 0.736016739624454
Energy: 0.7358370113541325
Energy: 0.6118040778010692
Energy: 0.7350606977309649
Energy: 0.6543888554213992
Energy: 0.8458051692331683
Energy: 0.6032070390088077
Energy: 0.6606744339381254
Energy: 0.6036747217142935
Energy: 0.6031043061211347
Energy: 0.6557184511961155
Energy: 0.653210074888391
Energy: 0.7932884633602988
Energy: 0.6043108139323213
Energy: 0.6037249176279061
Energy: 0.6040288958011414
Energy: 0.6041825970890006
Energy: 0.7941577008078066
Energy: 0.6545600300033447
Energy: 0.7353558482237271
Energy: 0.6035082561841566
Energy: 0.6042452097370591
Energy: 0.6043499080854873
Energy: 0.6042309386213071
Energy: 0.7347088987939994
Energy: 0.6580398792077781
Energy: 0.8458543192590292
Energy: 0.605582230271476
Energy: 0.6586942090724844
Energy: 0.6614224314179159
Energy: 0.603356225742396
Energy: 0.6539126530245379
Energy: 0.6774182848923272
Energy: 0.7340968075400952
Energy: 0.6129939436296744
Energy: 0.6048661392714055
Energy: 0.6041631617256756
Energy: 0.603889030579422
Energy: 0.7346303641578049
Energy: 0.6526466903525453
Energy: 0.7944620287262519
Energy: 0.6038020132081926
Energy: 0.6032222573952888
Energy: 0.6033527348278774
Energy: 0.6037342960256507
Energy: 0.6568851079453122
Energy: 0.6526441781167206
Energy: 0.7944042216383683
Energy: 0.6036222754614525
Energy: 0.6038152482280073
Energy: 0.6032467628276583
Energy: 0.6038957793053104
Energy: 0.6571815944378981
Energy: 0.6778370128447871
Energy: 0.7339986051996485
Energy: 0.603653477233015
Energy: 0.6043875020353774
Energy: 0.6045220565724806
Energy: 0.6039165893324863
Energy: 0.7344584620202466
Energy: 0.6599245942298622
Energy: 0.8453587957293609
Energy: 0.6034443695456997
Energy: 0.658891359416818
Energy: 0.6614625178675267
Energy: 0.6036608240969281
Energy: 0.653960533259156
Energy: 0.6540331471467578
Energy: 0.734051784899625
Energy: 0.6043436512383471
Energy: 0.6045171457290563
Energy: 0.6043787749433246
Energy: 0.6035781374441956
Energy: 0.7350095544490824

minimum gb energy = 0.6029687674488288 eV
minimum distance =  2.69872497455432 Angstroms
sigma value = 23