Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.061213478446007
cohesive_energy=2.700628357150368
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3786201217280778e-19, 1.88867785969188e-19, 2.26834565665086e-19, 2.5764442233690597e-19, 2.8311582646423797e-19, 3.04593004243008e-19, 3.23420181869142e-19, 3.4014370157483396e-19, 3.5470748717789397e-19, 3.6741114570888e-19, 3.78488594956356e-19, 3.8811927870333e-19, 3.9656915827104595e-19, 4.0392475119774e-19, 4.10214896662824e-19, 4.15522907851266e-19, 4.1992729141813193e-19, 4.2348732789888e-19, 4.2626390000560197e-19, 4.28303470860684e-19, 4.30077080394522e-19, 4.3152865242492594e-19, 4.3237780604094596e-19, 4.3265498259862797e-19, 4.3235697774470396e-19, 4.3139406958767e-19, 4.2964609487997593e-19, 4.2697206207783e-19, 4.2320053828139398e-19, 4.182097580664839e-19, 4.1170331875581e-19, 4.03362387199206e-19, 3.9281846277085196e-19, 3.7962614036649596e-19, 3.6322626034087197e-19, 3.4365887710983e-19, 3.1957495794754196e-19, 2.89771268201874e-19, 2.5285711855451395e-19, 2.0760844605708598e-19, 1.51364035320516e-19, 8.08424683807086e-20, -7.389911550194279e-21, -1.1966785453476718e-19, -2.6353883017339196e-19, -4.50958248465444e-19, -6.954584136970139e-19, -1.0265081606972638e-18, -1.483942407117336e-18, -2.1369030855974998e-18, -3.1047619684305595e-18, -4.617104558562179e-18, -7.16535047317284e-18, -1.1949097423437359e-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: 0.00825222102380134
Energy: 0.4470841017787332
Energy: 0.008363340905142094
Energy: 0.008461440921218286
Energy: 0.4480871202097942
Energy: 0.008447574072240659
Energy: 0.4470841017792163
Energy: 0.08965586089610972
Energy: 0.09021917331804191
Energy: 0.08968387078691593
Energy: 0.08976590036594641
Energy: 0.08999990932787444
Energy: 0.008363340904161977
Energy: 0.09021917331902202
Energy: 0.0898665486177414
Energy: 0.008422815108109383
Energy: 0.08966382704456047
Energy: 0.08953855762685542
Energy: 0.008461440921218286
Energy: 0.0896838707871506
Energy: 0.008422815108357863
Energy: 0.008527551426335626
Energy: 0.08964470062794133
Energy: 0.008481033217139385
Energy: 0.4480871202090764
Energy: 0.08976590036667806
Energy: 0.08966382704359414
Energy: 0.08964470062696123
Energy: 0.089274185845635
Energy: 0.08966062212575451
Energy: 0.008447574071025865
Energy: 0.08999990932860609
Energy: 0.08953855762733857
Energy: 0.008481033217374062
Energy: 0.08966062212720398
Energy: 0.008408372848271038

minimum gb energy = 0.00825222102380134 eV
minimum distance =  2.8690024534958 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.257930271254896
Energy: 0.6404921056154608
Energy: 0.6236569291807486
Energy: 0.6849923649063767
Energy: 0.6741521430902194
Energy: 0.6358851433340569
Energy: 1.0851814287545598
Energy: 0.636238073434695
Energy: 0.636502401384932
Energy: 0.6360641506588149
Energy: 0.6381133115992427
Energy: 0.6355369225090535
Energy: 1.0119979611576415
Energy: 0.6376745919866056
Energy: 0.6376146225871244
Energy: 0.6634935150567612
Energy: 0.6253075784777581
Energy: 0.6364180663752713
Energy: 1.1859850472944033
Energy: 0.6451295428193042
Energy: 0.6454765223749691
Energy: 0.6425352474541289
Energy: 0.6266658997049435
Energy: 0.6443085157303673
Energy: 1.083455179798804
Energy: 0.6381717217019859
Energy: 0.6378388490413376
Energy: 0.6369413912429271
Energy: 0.6403308289283406
Energy: 0.6373171438564094
Energy: 1.0676385678709248
Energy: 0.6635192825203646
Energy: 0.6630833824450989
Energy: 0.6630510136348083
Energy: 0.6380278705023407
Energy: 0.6634246169145768
Energy: 1.0632417313671043
Energy: 0.6635368670683968
Energy: 0.6630587087625175
Energy: 0.6633809635218508
Energy: 0.6646741904735329
Energy: 0.6634665667642929
Energy: 0.9932582129800925
Energy: 0.6617453866311823
Energy: 0.6625659725490458
Energy: 0.6732455358212432
Energy: 0.6619330629097548
Energy: 0.663169200087642
Energy: 0.8669852144759657
Energy: 0.6634355414845533
Energy: 0.6645125056027791
Energy: 0.6387042528767722
Energy: 0.6629339333589073
Energy: 0.6644351645325999
Energy: 0.8658736804003989
Energy: 0.6362768166498275
Energy: 0.6374608179372099
Energy: 0.6398267082825001
Energy: 0.636036338277394
Energy: 0.6369136628455725
Energy: 0.8010760662510433
Energy: 0.6643066780053435
Energy: 0.664018086219974
Energy: 0.6260121252526981
Energy: 0.6645629201297679
Energy: 0.6494475140443916
Energy: 0.7261523083118588
Energy: 0.6355796425529197
Energy: 0.6357282427603471
Energy: 0.624681448656491
Energy: 0.6617710346613236
Energy: 0.6364708207284158
Energy: 0.7264114060250614
Energy: 0.6347181039949856
Energy: 0.635381549671655
Energy: 0.6371389071378809
Energy: 0.6343793959966241
Energy: 0.6356529742762891
Energy: 0.780465519739974
Energy: 0.6410244005591972
Energy: 0.641364134716552
Energy: 0.6247399804501488
Energy: 0.6407966664610709
Energy: 0.6153295773770359
Energy: 0.767100783381184
Energy: 0.6377333598120296
Energy: 0.6373737968080566
Energy: 0.6389711515928647
Energy: 0.6352652518381868
Energy: 0.6367324195809987
Energy: 0.7675459892237276
Energy: 0.6640984792651151
Energy: 0.6643964265104535
Energy: 0.6402797822236955
Energy: 0.6641152625262212
Energy: 0.6650974694905384
Energy: 0.9932236427017227
Energy: 0.660348742925688
Energy: 0.662218535696257
Energy: 0.6674501972716739
Energy: 0.660369681841307
Energy: 0.664671526983565
Energy: 0.9722903185487218
Energy: 0.6646342855608287
Energy: 0.6652502065247329
Energy: 0.6648221349627836
Energy: 0.6643927236870157
Energy: 0.6650068017257657
Energy: 0.9717867746715844
Energy: 0.6643128414867564
Energy: 0.6648996838153759
Energy: 0.664289807289154
Energy: 0.6647882700343276
Energy: 0.6645433965206388
Energy: 1.0127887057815241
Energy: 0.6647357055099257
Energy: 0.6651471995490691
Energy: 0.6649224277704623
Energy: 0.6645412526878084
Energy: 0.6644037613148155
Energy: 1.1091516424683638
Energy: 0.6663312887352605
Energy: 0.6622068698146514
Energy: 0.6618811147866157
Energy: 0.6472056507136823
Energy: 0.6616411137131405
Energy: 0.5686518963962246
Energy: 0.6622572718077262
Energy: 0.6654171316866985
Energy: 0.6622653851947242
Energy: 0.6233438831762828
Energy: 0.6646022375925689
Energy: 1.118125237860977
Energy: 0.6362206530350181
Energy: 0.6360567698307575
Energy: 0.6073125072305666
Energy: 0.6382499565817451
Energy: 0.6354552251786643

minimum gb energy = 0.5686518963962246 eV
minimum distance =  2.67251538980812 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.4559162415899767
Energy: 0.7160850194169498
Energy: 0.711679613134812
Energy: 0.7051166535442405
Energy: 0.7001322161191544
Energy: 0.778280426303878
Energy: 1.0667813886872781
Energy: 0.6863506047793311
Energy: 0.6827248384081679
Energy: 0.682860936772802
Energy: 0.675267963162359
Energy: 0.6850534231806361
Energy: 0.7253237960439781
Energy: 0.6829035066849879
Energy: 0.6926938998849638
Energy: 0.7384082869697257
Energy: 0.6811811292514371
Energy: 0.7079601689422431
Energy: 1.15129564009241
Energy: 0.6768653653940904
Energy: 0.6554916424365271
Energy: 0.7420373858385455
Energy: 0.6630819405849554
Energy: 0.7429611544605559
Energy: 0.7997558533898701
Energy: 0.6818977322470935
Energy: 0.6853847516525093
Energy: 0.7030356938761692
Energy: 0.6871360025176283
Energy: 0.692111529333234
Energy: 1.157459079096442
Energy: 0.686328271584127
Energy: 0.6943501844802076
Energy: 0.6983923293114385
Energy: 0.7085546707556462
Energy: 0.6868176571239163
Energy: 1.1575727318804332
Energy: 0.7807070547227161
Energy: 0.6931829732003452
Energy: 0.6983444212505214
Energy: 0.6937432520771674
Energy: 0.6858641758153106
Energy: 1.0491103162627058
Energy: 0.7374259001011741
Energy: 0.7375881376922094
Energy: 0.6767626062839999
Energy: 0.7372448851771638
Energy: 0.7378301401658226
Energy: 0.933177265097637
Energy: 0.7383846804081622
Energy: 0.7806396575065517
Energy: 0.7966332050683423
Energy: 0.7353202598112555
Energy: 0.7022324301741446
Energy: 0.9330741645122598
Energy: 0.7766087716850333
Energy: 0.775450621569458
Energy: 0.7857267275754802
Energy: 0.7770769688883751
Energy: 0.7760672712056421
Energy: 0.9000758174002057
Energy: 0.6923338029526346
Energy: 0.6931807617269927
Energy: 0.7726640559606311
Energy: 0.692318402631699
Energy: 0.693485833235487
Energy: 0.8204827455016072
Energy: 0.6986663304137847
Energy: 0.772945760316328
Energy: 0.8001412186003252
Energy: 0.6990942762441734
Energy: 0.6869232298614522
Energy: 0.8200972902373641
Energy: 0.7807406800289806
Energy: 0.779200550361063
Energy: 0.7949814678109856
Energy: 0.781649681564585
Energy: 0.7769685684888225
Energy: 0.9252885460576276
Energy: 0.7387979765700983
Energy: 0.7386463860545643
Energy: 0.7897954974655021
Energy: 0.7365863505764014
Energy: 0.7534833497572413
Energy: 0.909204622703751
Energy: 0.7786676173339895
Energy: 0.7776621678437803
Energy: 0.7781789491138378
Energy: 0.7813470492248926
Energy: 0.7780597416283573
Energy: 0.9079652297502845
Energy: 0.7805865433205179
Energy: 0.7806080352159074
Energy: 0.7988629728981478
Energy: 0.7812801006468549
Energy: 0.7776886251870623
Energy: 1.0119089169326885
Energy: 0.7808053853664058
Energy: 0.7806766179649792
Energy: 0.7910233124027254
Energy: 0.7806776688374881
Energy: 0.7790861358865584
Energy: 1.0177718375074405
Energy: 0.7665212700324309
Energy: 0.7670446592004941
Energy: 0.7372829877854081
Energy: 0.7641543649600293
Energy: 0.7371455204598998
Energy: 1.0192474856210563
Energy: 0.7848078694865346
Energy: 0.7814192071167767
Energy: 0.7350671722614316
Energy: 0.7962488826135664
Energy: 0.7822044215992228
Energy: 1.0230557382024008
Energy: 0.7774194029967899
Energy: 0.7705107153190037
Energy: 0.7683380572615833
Energy: 0.7771785862998914
Energy: 0.7695335308144517
Energy: 1.231425259805785
Energy: 0.7929208224025431
Energy: 0.6962553089220359
Energy: 0.6991995587200718
Energy: 0.7857245083705705
Energy: 0.6953419230171918
Energy: 0.6838457381507856
Energy: 0.7759707406322672
Energy: 0.7698841455214115
Energy: 0.69912199049574
Energy: 0.7951516096813339
Energy: 0.769355868254678
Energy: 1.0951680455785031
Energy: 0.7755742325705638
Energy: 0.7731003621941991
Energy: 0.7823400841969992
Energy: 0.7968046813662099
Energy: 0.7732747275276179
Energy: 1.1504067364626374
Energy: 0.7794817929795473
Energy: 0.7960192445710598
Energy: 0.7372502039883111
Energy: 0.8018495174160994
Energy: 0.7549671210381628
Energy: 1.0950834313785995
Energy: 0.7773833558691392
Energy: 0.7779415430340544
Energy: 0.7824939942774068
Energy: 0.7666874895077549
Energy: 0.7772190173019922
Energy: 0.7849596018958634
Energy: 0.7820028793221145
Energy: 0.7801020152053894
Energy: 0.7694065721004334
Energy: 0.797962862219723
Energy: 0.783004938742333
Energy: 1.158456679868937
Energy: 0.7790453646388458
Energy: 0.7783395601127348
Energy: 0.7813997544101137
Energy: 0.7873148619981108
Energy: 0.7784310955820243
Energy: 1.0219104116340094
Energy: 0.7384568566323086
Energy: 0.7372512182804197
Energy: 0.7687767662150597
Energy: 0.7380766037512098
Energy: 0.7687807252932897
Energy: 0.9346065389059516
Energy: 0.7380127247138816
Energy: 0.7366403520512587
Energy: 0.7961357486246309
Energy: 0.7379291989885696
Energy: 0.7807381968442658
Energy: 0.9344973641748462
Energy: 0.778136909593425
Energy: 0.7762144196418173
Energy: 0.7975850738731343
Energy: 0.7801099619642563
Energy: 0.7734910466885699
Energy: 0.9812829898674583
Energy: 0.6987111891658034
Energy: 0.6995507300938023
Energy: 0.7980237065234422
Energy: 0.6985831720772372
Energy: 0.695559469862395
Energy: 0.8185253277631066
Energy: 0.6986285313202865
Energy: 0.6986779569044276
Energy: 0.7928210387792125
Energy: 0.6989439827564392
Energy: 0.7732524181678873
Energy: 0.8187930287942349
Energy: 0.7777715474027908
Energy: 0.776387661316127
Energy: 0.7975243231690295
Energy: 0.7812328581842398
Energy: 0.7775495429354741
Energy: 0.8185335830274498
Energy: 0.7373487077004094
Energy: 0.7388457833695249
Energy: 0.8023723875949398
Energy: 0.7367198190435399
Energy: 0.7387679160848825
Energy: 0.9084367782983767
Energy: 0.7777200980311811
Energy: 0.7036848257168924
Energy: 0.6979955258841389
Energy: 0.781700473757046
Energy: 0.7776314616244611
Energy: 0.9077565324453604
Energy: 0.6979781022107091
Energy: 0.696940510864873
Energy: 0.7304929599771006
Energy: 0.6988637416379379
Energy: 0.696766167789001
Energy: 0.9137024575761645
Energy: 0.6892950410971338
Energy: 0.6920328583477979
Energy: 0.6943982387584358
Energy: 0.6891514021128441
Energy: 0.6890823704032812
Energy: 1.020515447198082
Energy: 0.6981128371537112
Energy: 0.711392250403457
Energy: 0.735013707138337
Energy: 0.6845721993535454
Energy: 0.6974236591321197
Energy: 1.0176162260252801
Energy: 0.681777772534544
Energy: 0.7081995005000715
Energy: 0.7377394645162821
Energy: 0.6805753327210867
Energy: 0.7444385457659339
Energy: 0.7087213189405985
Energy: 0.6863228662125019
Energy: 0.6857485952704945
Energy: 0.6928933990633086
Energy: 0.6833315377100956
Energy: 0.6911926933362457
Energy: 0.7118416458078173
Energy: 0.6798158335818533
Energy: 0.6924595081725643
Energy: 0.6983868444764006
Energy: 0.6821518564165019
Energy: 0.7328989575976953

minimum gb energy = 0.6554916424365271 eV
minimum distance =  2.52713355166262 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.2908260265311622
Energy: 0.743702896698616
Energy: 0.7315399880157665
Energy: 0.6590876513273917
Energy: 0.7448368065616643
Energy: 0.6589635309891395
Energy: 0.9626780057377613
Energy: 0.712245350877221
Energy: 0.712085909859505
Energy: 0.6738939912518429
Energy: 0.6715543384558315
Energy: 0.6735760019998436
Energy: 1.1203552172643638
Energy: 0.7070954538672403
Energy: 0.7059155241156411
Energy: 0.6717454022639321
Energy: 0.7072095407901543
Energy: 0.7083556489079711
Energy: 1.1199589928131177
Energy: 0.6736585847352081
Energy: 0.7304762977154496
Energy: 0.672143038039309
Energy: 0.6743431196419791
Energy: 0.6669992189146121
Energy: 0.6709261025074654
Energy: 0.6725403194237985
Energy: 0.6722833091345788
Energy: 0.6745248725660673
Energy: 0.6711703427736306
Energy: 0.6725412163232681
Energy: 0.9617006968176773
Energy: 0.6723764679449235
Energy: 0.672233071200134
Energy: 0.6731629833801437
Energy: 0.6729535224417423
Energy: 0.6722468643138789
Energy: 0.9616801105124813
Energy: 0.6736557636058025
Energy: 0.6730038342319357
Energy: 0.6732303239940387
Energy: 0.6747143654315162
Energy: 0.6726163126611644
Energy: 0.8071082413171283
Energy: 0.64992725393098
Energy: 0.649453480912182
Energy: 0.7622240262729026
Energy: 0.6501817543901964
Energy: 0.699726007550113
Energy: 0.7681129473962504
Energy: 0.6918124132492605
Energy: 0.7275243226396018
Energy: 0.672992998391757
Energy: 0.6559475481977007
Energy: 0.7078989565874283
Energy: 0.7680793887195372
Energy: 0.672296378832962
Energy: 0.6718968514912305
Energy: 0.7069351299205342
Energy: 0.6741984822749233
Energy: 0.7095531996308605
Energy: 0.7676815789470014
Energy: 0.651569272184264
Energy: 0.6515911866156808
Energy: 0.6674212871309558
Energy: 0.6709754238649961
Energy: 0.6515913517274222
Energy: 0.8248571540826333
Energy: 0.6734580408396992
Energy: 0.6732183868943544
Energy: 0.7119947422587616
Energy: 0.6681077706297857
Energy: 0.7123218040717951
Energy: 0.8237997292836381
Energy: 0.7444065593880315
Energy: 0.7112286247191885
Energy: 0.7078489356889394
Energy: 0.7462285757736938
Energy: 0.7065803695938437
Energy: 0.8242987390306385
Energy: 0.6726522005389819
Energy: 0.6728956413018752
Energy: 0.7032391613055285
Energy: 0.6726321752155089
Energy: 0.6730702196881369
Energy: 1.0314161774052388
Energy: 0.6706404513748778
Energy: 0.7095906873015492
Energy: 0.7503856535091404
Energy: 0.6709696392857027
Energy: 0.7087692506591876
Energy: 1.0316411974705992
Energy: 0.7054828947884909
Energy: 0.7108123531185266
Energy: 0.6581021567055034
Energy: 0.7115115501480018
Energy: 0.657490617998965
Energy: 1.0215351666660122
Energy: 0.7065462169384267
Energy: 0.712013686065438
Energy: 0.6746960268368004
Energy: 0.7064316977156143
Energy: 0.7093622898273128
Energy: 1.20543896068383
Energy: 0.6708257499909417
Energy: 0.6605813632025285
Energy: 0.6488805636496853
Energy: 0.7141337501717614
Energy: 0.6593356078395264

minimum gb energy = 0.6488805636496853 eV
minimum distance =  2.69100881687118 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.1015011542424196
Energy: 0.7350952873718821
Energy: 0.7762840205198831
Energy: 0.7708360722235907
Energy: 0.7341140674223349
Energy: 0.7709122517740359
Energy: 0.9041984684359449
Energy: 0.7345036506748259
Energy: 0.7344077992800842
Energy: 0.7549208363605171
Energy: 0.7344685355526224
Energy: 0.7342931656619375
Energy: 1.1208778683900973
Energy: 0.7348788963269166
Energy: 0.734950366511161
Energy: 0.7598036783711201
Energy: 0.7344682583452552
Energy: 0.7355714646310542
Energy: 0.8992030100954018
Energy: 0.7349245304548686
Energy: 0.7341596864024516
Energy: 0.7491501612812653
Energy: 0.7343962133892173
Energy: 0.7341864158769976
Energy: 0.9042591514375492
Energy: 0.73391951761469
Energy: 0.7544157121950614
Energy: 0.7222005469910122
Energy: 0.734025467404256
Energy: 0.7548876481319915
Energy: 0.9034327854382779
Energy: 0.7149349560218319
Energy: 0.7538256375960622
Energy: 0.7551950095295278
Energy: 0.7146142626639189
Energy: 0.7548421556876669
Energy: 0.9044538626942294
Energy: 0.7220303994328178
Energy: 0.7541761795714533
Energy: 0.754718947384646
Energy: 0.721966031397382
Energy: 0.7549911057291205
Energy: 0.8227659818114622
Energy: 0.7147389175118666
Energy: 0.7147348400231617
Energy: 0.7346557929880907
Energy: 0.7149531381968429
Energy: 0.7148616531524423
Energy: 0.7342411232285125
Energy: 0.7161492891044561
Energy: 0.7153329929892822
Energy: 0.7342251982315218
Energy: 0.7148126453171791
Energy: 0.7147939582524389
Energy: 0.7338333494468602
Energy: 0.7548400295373402
Energy: 0.7343358299420999
Energy: 0.7341710264154502
Energy: 0.7553319524882506
Energy: 0.7342960065043562
Energy: 0.7334796415955885
Energy: 0.7512309724180839
Energy: 0.7506857514319779
Energy: 0.733964608555919
Energy: 0.7517024686825725
Energy: 0.7345195530269583
Energy: 0.8234048908522053
Energy: 0.7607563714377792
Energy: 0.7540070938246857
Energy: 0.7344283254806041
Energy: 0.7590085936338216
Energy: 0.7345288742619738
Energy: 0.714597437597132
Energy: 0.7546913581455292
Energy: 0.7544984916568374
Energy: 0.7144618488507755
Energy: 0.7548361037511901
Energy: 0.755225790225835
Energy: 0.8230315274644606
Energy: 0.7545827311377145
Energy: 0.7544360971451828
Energy: 0.7220043044932046
Energy: 0.7584550021590729
Energy: 0.7547536927730274
Energy: 1.077569091152354
Energy: 0.7344464044114855
Energy: 0.7348275848204868
Energy: 0.7148793054854502
Energy: 0.7343769733071739
Energy: 0.7149150169007882
Energy: 1.0779378213696396
Energy: 0.722041322174244
Energy: 0.7162417714959182
Energy: 0.7146635351413817
Energy: 0.7218119727412328
Energy: 0.7146857694672877
Energy: 0.9045286706850244
Energy: 0.7346069840122297
Energy: 0.734223786704065
Energy: 0.7224106723890245
Energy: 0.7343132727387173
Energy: 0.7342245242326144
Energy: 0.899334883923998
Energy: 0.7351075272242475
Energy: 0.7349349413423225
Energy: 0.7492750546694377
Energy: 0.7343522802681938
Energy: 0.7221949099018622
Energy: 0.8998069533511442
Energy: 0.7350502302838631
Energy: 0.7342850831053502
Energy: 0.7495555827038105
Energy: 0.7344323979179974
Energy: 0.7613651427470245
Energy: 0.9039919875973618
Energy: 0.7148528225183611
Energy: 0.754110889787393
Energy: 0.755482790960038
Energy: 0.7145555879016614
Energy: 0.7537473953459335
Energy: 0.9030224580760369
Energy: 0.7343221216084943
Energy: 0.7546330593480103
Energy: 0.759548742134551
Energy: 0.7342154938385194
Energy: 0.7544597615076454
Energy: 0.9036431717975321
Energy: 0.75535724428852
Energy: 0.7541674346734791
Energy: 0.7339063875880589
Energy: 0.7220887145063862
Energy: 0.7541904371993013
Energy: 0.8234816637821806
Energy: 0.7142961555064706
Energy: 0.7147428749648915
Energy: 0.734592367067223
Energy: 0.716548695600371
Energy: 0.7147292050885728
Energy: 0.7342364933184065
Energy: 0.734851193243824
Energy: 0.73426606600117
Energy: 0.734333698883943
Energy: 0.7433137357756322
Energy: 0.7343439653714389
Energy: 0.7342971775809739
Energy: 0.7593658451194548
Energy: 0.7347814641703151
Energy: 0.7344944377193333
Energy: 0.759347540939298
Energy: 0.7349789194141987
Energy: 0.7220382486234004
Energy: 0.7492251295722869
Energy: 0.7493425169521293
Energy: 0.7339016146436309
Energy: 0.7496796993878462
Energy: 0.7345140088517337
Energy: 0.903961029416664
Energy: 0.7545704086347863
Energy: 0.754771868545097
Energy: 0.7346893374327795
Energy: 0.755636686365928
Energy: 0.7545876817604703
Energy: 0.7143558943132261
Energy: 0.7542988211703567
Energy: 0.7553295554900139
Energy: 0.7144411716038986
Energy: 0.754991828897825
Energy: 0.7535018057509022
Energy: 0.8232811847699427
Energy: 0.7541722923636279
Energy: 0.7556272242254565
Energy: 0.722153542075503
Energy: 0.7544682591667486
Energy: 0.7539519438745217
Energy: 1.0767158699274617
Energy: 0.7214066637297184
Energy: 0.7155980092204357
Energy: 0.7150781210343424
Energy: 0.7350837638627623
Energy: 0.7145979427350371

minimum gb energy = 0.7142961555064706 eV
minimum distance =  2.6668640882372 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.9023914246555105
Energy: 0.6136461883648872
Energy: 0.5856133727507263
Energy: 0.6374734472580681
Energy: 0.6136204627998338
Energy: 0.5858618722830313
Energy: 0.8506654117845085
Energy: 0.6137616868747268
Energy: 0.6137878130752137
Energy: 0.6139920451865598
Energy: 0.6140085923163165
Energy: 0.6142006398528831
Energy: 0.7926979999551687
Energy: 0.6479005866615254
Energy: 0.614758059549339
Energy: 0.6141566786800716
Energy: 0.6136250176748984
Energy: 0.6144686012630604
Energy: 0.6283614547560152
Energy: 0.6369179365382848
Energy: 0.6140394043008885
Energy: 0.613551833771394
Energy: 0.6142379632707209
Energy: 0.6138830220072301
Energy: 0.8519766716238147
Energy: 0.5855611071558133
Energy: 0.613967301368202
Energy: 0.6138749741164572
Energy: 0.5855238300890675
Energy: 0.615128389604358
Energy: 0.7223251793815113
Energy: 0.6448532279163023
Energy: 0.6227071415789741
Energy: 0.6136790561924326
Energy: 0.6446177836863918
Energy: 0.5853490277896793
Energy: 0.7226536245655429
Energy: 0.6264480855739041
Energy: 0.6146813730950115
Energy: 0.6135403812339667
Energy: 0.6253633327315195
Energy: 0.6145019195161064
Energy: 0.759540835421184
Energy: 0.6222608365621003
Energy: 0.6230310428883348
Energy: 0.6514864004551846
Energy: 0.6226644897058302
Energy: 0.6126661260593992
Energy: 0.7930051099274095
Energy: 0.6129864886431817
Energy: 0.6296213030080648
Energy: 0.6137204522238064
Energy: 0.6131922604415729
Energy: 0.6287709722359672
Energy: 0.6732566094174173
Energy: 0.6295197855546717
Energy: 0.6142800833657919
Energy: 0.6142803017096766
Energy: 0.6304903900475275
Energy: 0.6150099971155564
Energy: 0.7945292240914035
Energy: 0.6612619969643148
Energy: 0.6608878977940497
Energy: 0.6139101437276225
Energy: 0.6634051941536125
Energy: 0.6268358180496656
Energy: 0.7484994861328376
Energy: 0.6137420874811161
Energy: 0.6137252012254386
Energy: 0.6142287899790235
Energy: 0.6150118285986251
Energy: 0.6139063014864968

minimum gb energy = 0.5853490277896793 eV
minimum distance =  2.71156485004668 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.8844957862467614
Energy: 0.5618214156644881
Energy: 0.5633783904767212
Energy: 0.5762126499351184
Energy: 0.5814253567121574
Energy: 0.5778450646829877
Energy: 0.5717026694999898
Energy: 0.5556102491899825
Energy: 0.5578685979775132
Energy: 0.5587634628371478
Energy: 0.5630981652753348
Energy: 0.557687768433996
Energy: 0.6585315231856413
Energy: 0.5621106507851534
Energy: 0.5624401574163617
Energy: 0.5703080877252747
Energy: 0.5616698912879047
Energy: 0.5638123524515166
Energy: 0.5784462577564173
Energy: 0.5639150977546865
Energy: 0.5641515875957056
Energy: 0.5636991978827693
Energy: 0.5632956605855138
Energy: 0.563572024290752
Energy: 0.578909970863047
Energy: 0.559593047110777
Energy: 0.5588417757888362
Energy: 0.5694100854909264
Energy: 0.5612729522231747
Energy: 0.5729963683762289
Energy: 0.6200218126731737
Energy: 0.5630995686070629
Energy: 0.5624076147587715
Energy: 0.5677710711984377
Energy: 0.5827012159589685
Energy: 0.5615417562757579
Energy: 0.6210550604014973
Energy: 0.5644115513424779
Energy: 0.5661961522915868
Energy: 0.5731326303051817
Energy: 0.56391824121301
Energy: 0.5639061325915548
Energy: 0.6340911738515472
Energy: 0.555777185377801
Energy: 0.5640255047291219
Energy: 0.565352913771117
Energy: 0.564694000693393
Energy: 0.5641635043276465
Energy: 0.5937997354016932
Energy: 0.5694320639811874
Energy: 0.5644469996249122
Energy: 0.56256701365997
Energy: 0.5638635155265633
Energy: 0.5660298159845512
Energy: 0.5927732187398684
Energy: 0.5638712300394575
Energy: 0.5637706799395651
Energy: 0.581820220421629
Energy: 0.5646013695402567
Energy: 0.5625041364686947
Energy: 0.5928898839735652
Energy: 0.5643097740075019
Energy: 0.5653163618603501
Energy: 0.5585755613055321
Energy: 0.5640313508977649
Energy: 0.5744841671611702
Energy: 0.597105307028565
Energy: 0.5697983213390984
Energy: 0.5718944936989983
Energy: 0.5640677774368468
Energy: 0.5803543506962664
Energy: 0.5755577623596749
Energy: 0.5268125063258672
Energy: 0.5771647614007678
Energy: 0.5656675198080953
Energy: 0.5737495071249499
Energy: 0.5749799593234625
Energy: 0.5723515617828149
Energy: 0.7331604259469742
Energy: 0.5718152094778469
Energy: 0.5719603183449594
Energy: 0.5645091338669534
Energy: 0.5706949735309804
Energy: 0.5754457012659366
Energy: 0.6128157433881278
Energy: 0.5426361354708024
Energy: 0.5410449420511568
Energy: 0.5625027307977243
Energy: 0.5428260009431877
Energy: 0.5646115261366551
Energy: 0.6127536250321338
Energy: 0.55479158709553
Energy: 0.5575216663542152
Energy: 0.5625327642495694
Energy: 0.5572132503869416
Energy: 0.5729732192782475
Energy: 0.6121937832540714
Energy: 0.5745839519589876
Energy: 0.5657215318118737
Energy: 0.558564519709967
Energy: 0.5619737402032982
Energy: 0.5617807880691641
Energy: 0.6654862337100543
Energy: 0.570675455396497
Energy: 0.5665895978783911
Energy: 0.5581572226506378
Energy: 0.5802246067239829
Energy: 0.5667074057148126
Energy: 0.6591766260744885
Energy: 0.5553021647391266
Energy: 0.5560682531097969
Energy: 0.5737755604692726
Energy: 0.5567921463252363
Energy: 0.5565787724022876
Energy: 0.6574446033077646
Energy: 0.5526440164921317
Energy: 0.5518699919754234
Energy: 0.5545065019222317
Energy: 0.5539652105772656
Energy: 0.5424060356606459
Energy: 0.6591683935666958
Energy: 0.5690626351367579
Energy: 0.567230563585505
Energy: 0.5709187806500193
Energy: 0.5713168202958941
Energy: 0.554619531093871
Energy: 0.6849662241655817
Energy: 0.5611978686861105
Energy: 0.5634636065765757
Energy: 0.5616378282512537
Energy: 0.570556381113692
Energy: 0.5567662460259581
Energy: 0.8406830547945054
Energy: 0.5611508168442925
Energy: 0.5620262585646517
Energy: 0.5617281731770873
Energy: 0.5621541159821682
Energy: 0.5621880460961467
Energy: 0.658433465564946
Energy: 0.5629516292513582
Energy: 0.5722486003302921
Energy: 0.5736791397917097
Energy: 0.5620958247333542
Energy: 0.56707693676608
Energy: 0.7873819023923695
Energy: 0.5646045984392588
Energy: 0.5629172634269383
Energy: 0.5642851884475567
Energy: 0.5637732395986064
Energy: 0.562093782602855
Energy: 0.5791729316136413
Energy: 0.5643694989181811
Energy: 0.575916496267894
Energy: 0.5683912192961689
Energy: 0.5645967388578849
Energy: 0.572424840755262
Energy: 0.7185718563925132
Energy: 0.5623132856774379
Energy: 0.5624273199575699
Energy: 0.719450721845891
Energy: 0.5778585410564303
Energy: 0.5623349938122278
Energy: 0.6203743279028369
Energy: 0.5639155058759945
Energy: 0.5644153658182761
Energy: 0.5772107264353538
Energy: 0.563588008520253
Energy: 0.5734006605561307
Energy: 0.6203847903870539
Energy: 0.57512983676382
Energy: 0.5756467654310047
Energy: 0.5633924029822645
Energy: 0.5635751491723439
Energy: 0.5656574908081194
Energy: 0.6127790049100617
Energy: 0.5557114051623189
Energy: 0.5639692351945115
Energy: 0.5641474544751731
Energy: 0.564870752654893
Energy: 0.5637167585610348
Energy: 0.5929706222947897
Energy: 0.5641835912237645
Energy: 0.5657954840081025
Energy: 0.558721362942001
Energy: 0.5626846564310761
Energy: 0.5639639869240003
Energy: 1.0433381748540165
Energy: 0.5666503940265619
Energy: 0.5633539015006851
Energy: 0.5591890782146287
Energy: 0.5669731296264165
Energy: 0.5623216848091434
Energy: 0.7333255739431458
Energy: 0.5769779945239237
Energy: 0.5641145817827924
Energy: 0.5643658373320822
Energy: 0.5732640403058985
Energy: 0.5642033404664932
Energy: 0.641607675173434
Energy: 0.5732038270152572
Energy: 0.5717997199236082
Energy: 0.5705723755070193
Energy: 0.5692143794860796
Energy: 0.5625313220429169
Energy: 0.734098643441104
Energy: 0.5722235741140578
Energy: 0.5721479779548047
Energy: 0.5622207672105121
Energy: 0.571221058044621
Energy: 0.5729908141918328
Energy: 0.6304594773796236
Energy: 0.5426003185393748
Energy: 0.5572121675036742
Energy: 0.5638762797054012
Energy: 0.5431796763291081
Energy: 0.5565010750862199
Energy: 0.6125083068531786
Energy: 0.5663199102790137
Energy: 0.5564339591214047
Energy: 0.5616823653255997
Energy: 0.5577837481921196
Energy: 0.5639908349979548
Energy: 0.6120024148430548
Energy: 0.5583669069908591
Energy: 0.560548256043128
Energy: 0.5626314851024744
Energy: 0.5584728053366635
Energy: 0.557840080502942
Energy: 0.6122881538180462
Energy: 0.5725497351499906
Energy: 0.569441221764832
Energy: 0.562832018174818
Energy: 0.5626445413364738
Energy: 0.5720628345587531
Energy: 0.659660728345109
Energy: 0.5582418855586859
Energy: 0.5605952674575967
Energy: 0.563171953574758
Energy: 0.5593107298458977
Energy: 0.5582737878301494
Energy: 0.6558201439427198
Energy: 0.5435573260483684
Energy: 0.5437349169030549
Energy: 0.5562260061320218
Energy: 0.5441628128974895
Energy: 0.554529961809265
Energy: 0.6593566195843935
Energy: 0.5528230288433655
Energy: 0.5526012779437287
Energy: 0.570616191540294
Energy: 0.5538907214466425
Energy: 0.5538239832100703
Energy: 0.8401637608153147
Energy: 0.5617717591133209
Energy: 0.5619770268407154
Energy: 0.5617999038511052
Energy: 0.5568569139773684
Energy: 0.5625378122817297

minimum gb energy = 0.5268125063258672 eV
minimum distance =  2.67146710130424 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.7032412464703687
Energy: 0.47995775810995017
Energy: 0.30406507782140685
Energy: 0.30447618029625506
Energy: 0.4744466681234555
Energy: 0.5469733901660238
Energy: 0.6928406329662975
Energy: 0.48135382434970647
Energy: 0.480500589967728
Energy: 0.48183211525501934
Energy: 0.4801318867044068
Energy: 0.48041316978232834
Energy: 0.6487643249722956
Energy: 0.6470103691734711
Energy: 0.4843173709970489
Energy: 0.495330094291658
Energy: 0.490228851197061
Energy: 0.6513187607047943
Energy: 0.654125059667859
Energy: 0.4800794245807518
Energy: 0.512937637617117
Energy: 0.6468164570909548
Energy: 0.6458683025726182
Energy: 0.6464373468124697
Energy: 0.6929990206155465
Energy: 0.46101222071885073
Energy: 0.4599720964371758
Energy: 0.6459279465659219
Energy: 0.30512553099545353
Energy: 0.6576592901450199
Energy: 0.4787076051108703
Energy: 0.4622048806661541
Energy: 0.46145012779552397
Energy: 0.6472703136191728
Energy: 0.3035510384994949
Energy: 0.3035098938172477
Energy: 0.6495929529055077
Energy: 0.6494207304169961
Energy: 0.649163422865738
Energy: 0.6453473820435204
Energy: 0.6458081600592346
Energy: 0.6468033888429836
Energy: 0.5214721053257583
Energy: 0.6537302194831511
Energy: 0.601051170526604
Energy: 0.6798823665689208
Energy: 0.7820319743767741
Energy: 0.6538321925556838
Energy: 0.8149495419411289
Energy: 0.7760724206123109
Energy: 0.7781842476770605
Energy: 0.7768049811549397
Energy: 0.4810346185059806
Energy: 0.7762959954615353
Energy: 0.3285641202015197
Energy: 0.48051398873895707
Energy: 0.3032650804328848
Energy: 0.30424026800878495
Energy: 0.6492607610570778
Energy: 0.3037801856136626
Energy: 0.3286731603479574
Energy: 0.7786572163378885
Energy: 0.7805956928111748
Energy: 0.30449110981396077
Energy: 0.7760455081643101
Energy: 0.3039579738920907
Energy: 0.8153739618731097
Energy: 0.776182810727452
Energy: 0.7789758980322707
Energy: 0.6967058494898486
Energy: 0.5208355181438452
Energy: 0.7785731452992315
Energy: 0.6493973995269698
Energy: 0.676886127785969
Energy: 0.5198139462637572
Energy: 0.482828413980508
Energy: 0.5215102761738315
Energy: 0.7822746139815878
Energy: 0.4825544922986666
Energy: 0.6452827345467677
Energy: 0.645925364873762
Energy: 0.6470801090040299
Energy: 0.5287827562560615
Energy: 0.6462185141414527
Energy: 0.48144333369824815
Energy: 0.3044723381818647
Energy: 0.302886357614565
Energy: 0.6514287750790091
Energy: 0.46469192169367557
Energy: 0.4641022975971724
Energy: 0.6466121379874142
Energy: 0.645960749837581
Energy: 0.6458214516205725
Energy: 0.6499922600931758
Energy: 0.45987319540600724
Energy: 0.6457264837762317
Energy: 0.6462839141840007
Energy: 0.6455480949021795
Energy: 0.6451274322389944
Energy: 0.6493791043904266
Energy: 0.6466814361037581
Energy: 0.4834914548727361
Energy: 0.6533602391234379
Energy: 0.4807074068155383
Energy: 0.48162071325128664
Energy: 0.4908748988649232
Energy: 0.4815518250663067
Energy: 0.6465268800146448
Energy: 0.5477192278854746
Energy: 0.4871256284426874
Energy: 0.48066711903403747
Energy: 0.3057132684822153
Energy: 0.48024870664278263
Energy: 0.48514470769172663

minimum gb energy = 0.302886357614565 eV
minimum distance =  2.68257727713912 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.9558933514249569
Energy: 0.5453892353790959
Energy: 0.5611308100706566
Energy: 0.4402869169838073
Energy: 0.5452639041543408
Energy: 0.5602196571123831
Energy: 0.4607491626563136
Energy: 0.435836809072045
Energy: 0.4384431996229175
Energy: 0.43270686311438095
Energy: 0.433163698281262
Energy: 0.43806980813949103
Energy: 0.4711671369570531
Energy: 0.4331466683313626
Energy: 0.4339148406766324
Energy: 0.43272405834976446
Energy: 0.4327875689128999
Energy: 0.43517310282607735
Energy: 0.4706543118945063
Energy: 0.43383307789229686
Energy: 0.43423877438769065
Energy: 0.43283096040394586
Energy: 0.43296038620300903
Energy: 0.43484102174194383
Energy: 0.4607365251392069
Energy: 0.4988625779202539
Energy: 0.49951170056009037
Energy: 0.43291439522552144
Energy: 0.4984155792962525
Energy: 0.4358916866721717
Energy: 0.4895145683580786
Energy: 0.43851369445384536
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Energy: 0.5378729290286193
Energy: 0.4320655673709929
Energy: 0.5357743593343505
Energy: 0.5450740289561544
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Energy: 0.4349658685460546
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Energy: 0.4331228387828305
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Energy: 0.49792511371067943
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Energy: 0.7089973128630107
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Energy: 0.5983542590748844
Energy: 0.5612237188721273
Energy: 0.5618009229942942
Energy: 0.5005770078765254
Energy: 0.5605709036742723
Energy: 0.5615401979576091
Energy: 0.5986112235018729
Energy: 0.43561188140060997
Energy: 0.4370145120589052
Energy: 0.4989040363737796
Energy: 0.43502772848746035
Energy: 0.5005531915376501
Energy: 0.7277024698732943
Energy: 0.5004986672929084
Energy: 0.5622636847675154
Energy: 0.5000492822863336
Energy: 0.4994506867207675
Energy: 0.562039431330376
Energy: 0.8150951343104164
Energy: 0.4436896445564992
Energy: 0.4350749876155822
Energy: 0.6439740050945121
Energy: 0.4456275578939851
Energy: 0.43474234064297357
Energy: 0.9501916704507221
Energy: 0.4985697840157014
Energy: 0.5000813342399376
Energy: 0.4336425352298325
Energy: 0.49840899140377565
Energy: 0.5003506443912947
Energy: 0.511198560918846
Energy: 0.4350625835092016
Energy: 0.43444189118459325
Energy: 0.4335511109735769
Energy: 0.43278127759680934
Energy: 0.4343767731650545
Energy: 0.6523417004211839
Energy: 0.5483182220329038
Energy: 0.5466112658522412
Energy: 0.5382061015349489
Energy: 0.5394413887286873
Energy: 0.5420618584992994
Energy: 0.7273909247729936
Energy: 0.49763102456568986
Energy: 0.4992924948080376
Energy: 0.4984096171020984
Energy: 0.5594095945456604
Energy: 0.49875999369449475
Energy: 0.4638816984136304
Energy: 0.43661937706069537
Energy: 0.43726095530790166
Energy: 0.4977489464359349
Energy: 0.43592368169718576
Energy: 0.5623503466323174
Energy: 0.4666888212211716
Energy: 0.49808388347620036
Energy: 0.5005731676977299
Energy: 0.434597483158181
Energy: 0.43359548809312115
Energy: 0.5002240540312048
Energy: 0.5748282047130259
Energy: 0.43377452698170027
Energy: 0.43469879871099293
Energy: 0.5348020868668418
Energy: 0.4333884075007197
Energy: 0.5368883471649261
Energy: 0.5666032752651096
Energy: 0.4340262032377977
Energy: 0.43347585512037046
Energy: 0.5357830532957892
Energy: 0.43301284198477846
Energy: 0.4319880483898291
Energy: 0.5079172614950247
Energy: 0.4338315778194087
Energy: 0.4359627364739578
Energy: 0.5586464972947802
Energy: 0.43191410232923183
Energy: 0.43653756210819783

minimum gb energy = 0.43086453644195777 eV
minimum distance =  2.72500442233906 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.0551090593044097
Energy: 0.46218364667202333
Energy: 0.46231102578443195
Energy: 0.8316893981177428
Energy: 0.46277304740160374
Energy: 0.4786614602953522
Energy: 0.4964155599346109
Energy: 0.46244167264069586
Energy: 0.46089730739760054
Energy: 0.4628488320594567
Energy: 0.46155800894261834
Energy: 0.46062558733416875
Energy: 0.49383414864756625
Energy: 0.4613865199794767
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Energy: 0.4619313987456596
Energy: 0.4614395723457398
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Energy: 0.4940697518577583
Energy: 0.46143308780933245
Energy: 0.4607187951930711
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Energy: 0.4615968743271443
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Energy: 0.4957031176358425
Energy: 0.4619867535294558
Energy: 0.4724326883880418
Energy: 0.4632932131406158
Energy: 0.4704081774869664
Energy: 0.46007198408017047
Energy: 0.5401281219590421
Energy: 0.46372796552419027
Energy: 0.46281397010766034
Energy: 0.46239995825097774
Energy: 0.4660242268767514
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Energy: 0.5386631869660108
Energy: 0.4624726335015694
Energy: 0.46001926684108124
Energy: 0.45959440797035317
Energy: 0.46400963095937486
Energy: 0.460846815902162
Energy: 0.5121800128174029
Energy: 0.46088395343199334
Energy: 0.4611933666029776
Energy: 0.4653249748386968
Energy: 0.46303367642978577
Energy: 0.46073186698879715
Energy: 0.5417400341998898
Energy: 0.4590763852349833
Energy: 0.4602301709435129
Energy: 0.4648441351451086
Energy: 0.4627449889099841
Energy: 0.4604270189016756
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Energy: 0.4597024223105105
Energy: 0.46613392960330574
Energy: 0.464043990264867
Energy: 0.4599124224498029
Energy: 0.5399898020278777
Energy: 0.46293378004955416
Energy: 0.4627369264375519
Energy: 0.4659372355888261
Energy: 0.46313844936054166
Energy: 0.4624358589995199
Energy: 0.5430457656454345
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Energy: 0.4595874810184685
Energy: 0.4632623028350417
Energy: 0.4609553992570527
Energy: 0.46280426931809926
Energy: 0.4995431638307855
Energy: 0.46012270071944833
Energy: 0.46021998655243795
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Energy: 0.4634950632759768
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Energy: 0.4607102690037527
Energy: 0.5018722314975547
Energy: 0.46002044673428305
Energy: 0.45963624878236664
Energy: 0.4624366414654257
Energy: 0.47488782400217433
Energy: 0.46012771987348716
Energy: 0.49732353597022005
Energy: 0.4611079547272999
Energy: 0.460468186432017
Energy: 0.4637318109728631
Energy: 0.45959150529967974
Energy: 0.4600107220102235
Energy: 1.0471944495629186
Energy: 0.4629406417441418
Energy: 0.461873590628068
Energy: 0.46928967900252117
Energy: 0.46852610438808645
Energy: 0.46442031260307826
Energy: 0.5129085167264481
Energy: 0.4621146139237617
Energy: 0.46071750100204023
Energy: 0.4624848477088591
Energy: 0.4633052374816165
Energy: 0.4617260555839384
Energy: 0.49468171020576307
Energy: 0.46077567161633975
Energy: 0.46168568221070877
Energy: 0.4634885456514096
Energy: 0.4612563283196701
Energy: 0.4608600450151656
Energy: 0.4938901144527836
Energy: 0.4613058868382488
Energy: 0.4600941476997789
Energy: 0.4619887452317132
Energy: 0.46218094773514334
Energy: 0.4602005518608563
Energy: 0.4967320622721742
Energy: 0.4634768214415545
Energy: 0.4607887343741929
Energy: 0.4634439479846353
Energy: 0.4621943176768646
Energy: 0.46030788459796224
Energy: 0.8596825023197522
Energy: 0.47966407560278723
Energy: 0.6114976551436608
Energy: 0.462380295689094
Energy: 0.48251033828119777
Energy: 0.6115677006897382
Energy: 0.5418311432379636
Energy: 0.46184091870165256
Energy: 0.4600432038826622
Energy: 0.46400274594172103
Energy: 0.46278220313369145
Energy: 0.45948350429345364
Energy: 0.5120512506122833
Energy: 0.4813724463626643
Energy: 0.4816830657907558
Energy: 0.4647769735587653
Energy: 0.4612820205369572
Energy: 0.4614165745769341
Energy: 0.5388762601159423
Energy: 0.4607441312319622
Energy: 0.4602942514112092
Energy: 0.45940488923390266
Energy: 0.46400357018031496
Energy: 0.4600003810227863
Energy: 0.5417727205728875
Energy: 0.4635550165755471
Energy: 0.4629744348038299
Energy: 0.46632995742903416
Energy: 0.4631227443142062
Energy: 0.4624390068266181
Energy: 0.8030198888084846
Energy: 0.4597961507819992
Energy: 0.46004660874334863
Energy: 0.465801307273392
Energy: 0.4593856879285081
Energy: 0.4596453071603807
Energy: 0.5410415111795531
Energy: 0.4636824510135604
Energy: 0.46884590171763696
Energy: 0.4626373327803769
Energy: 0.460869028777904
Energy: 0.4682895325789253
Energy: 0.5006491318842775
Energy: 0.46110533583534014
Energy: 0.489770407858364
Energy: 0.45850556719777447
Energy: 0.46152600701082874
Energy: 0.5094758248274728
Energy: 0.4995485698855866
Energy: 0.4686574197408376
Energy: 0.468279413940618
Energy: 0.46312025129756895
Energy: 0.4688626670352428
Energy: 0.46843753478155137
Energy: 0.4991346212031216
Energy: 0.459393582484576
Energy: 0.45970618912350825
Energy: 0.46085189955665234
Energy: 0.6174299782583944
Energy: 0.46046551678149805
Energy: 0.49782182677736586
Energy: 0.4614426545858616
Energy: 0.4606712922641543
Energy: 0.45999769801593965
Energy: 0.46074142197957463
Energy: 0.4606898204688361
Energy: 0.5685383421944581
Energy: 0.46197385940128854
Energy: 0.4652259053392612
Energy: 0.4645576176191664
Energy: 0.462277354134122
Energy: 0.46223129535206636

minimum gb energy = 0.45850556719777447 eV
minimum distance =  2.71333073348801 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.6196857708965913
Energy: 0.5003485595004308
Energy: 0.5012539724641686
Energy: 0.537853809332715
Energy: 0.500548228025718
Energy: 0.5012293330906981
Energy: 0.5411861610364922
Energy: 0.501601446003971
Energy: 0.5003300249278175
Energy: 0.502006336346873
Energy: 0.5003722406146444
Energy: 0.5002025384990617
Energy: 0.5347942202922308
Energy: 0.5029840836594133
Energy: 0.5023900364328615
Energy: 0.5026512822747667
Energy: 0.5034677625439196
Energy: 0.5027723843353528
Energy: 0.5383247121229501
Energy: 0.5025081212640955
Energy: 0.5022263461314549
Energy: 0.5016400692548081
Energy: 0.5021071037928607
Energy: 0.5026520400896495
Energy: 0.534801339486281
Energy: 0.5071854626571106
Energy: 0.5041913028861301
Energy: 0.5007293893254869
Energy: 0.5071138837322408
Energy: 0.5040690942959826
Energy: 0.5332992210570582
Energy: 0.5059700377342087
Energy: 0.5066440869155132
Energy: 0.49802829952826055
Energy: 0.5062977181139287
Energy: 0.506795589199973
Energy: 0.5662270708658078
Energy: 0.510406977689234
Energy: 0.5013819249338511
Energy: 0.5026866572139509
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Energy: 0.5012771606011337
Energy: 0.5569501649741913
Energy: 0.5085080396248544
Energy: 0.5354427283601262
Energy: 0.5084392875411884
Energy: 0.5072078475680094
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Energy: 0.5661568209683766
Energy: 0.5097963581734968
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Energy: 0.5131280467523953
Energy: 0.5065536793967859
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Energy: 0.568328103821321
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Energy: 0.4997816582584969
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Energy: 0.5099307566873448
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Energy: 0.500410535407591
Energy: 0.5118673513594775
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Energy: 0.5000853069823079
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Energy: 0.5441735026312586
Energy: 0.5036850619102637
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Energy: 0.5069657501531142
Energy: 0.4996588382629445
Energy: 0.5065241205377964
Energy: 0.5683822499606898
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Energy: 0.5135677046103684
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Energy: 0.5030878183375173
Energy: 0.5030345214652806
Energy: 0.5109292714175983
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Energy: 0.5025509287759132
Energy: 0.5112540419036932
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Energy: 0.5091400946802789
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Energy: 0.5065622647084526
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Energy: 0.5082583031833173
Energy: 0.5372687529482172
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Energy: 0.5005401242777361
Energy: 0.5125556215746826
Energy: 0.5028213360805279
Energy: 0.509587051700051
Energy: 0.5639164207100404
Energy: 0.5168183619938044
Energy: 0.4995605006127628
Energy: 1.0439192632911343
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Energy: 0.5125669256762713
Energy: 0.5139022959490135
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Energy: 0.5020109622896778
Energy: 0.511376884250379
Energy: 0.5048708901179323
Energy: 0.502300467365798
Energy: 0.5555917346107313
Energy: 0.5000513488791141
Energy: 0.5005519527560893
Energy: 0.49979736139816106
Energy: 0.5002287267119112
Energy: 0.5011283377895052

minimum gb energy = 0.49713084792401163 eV
minimum distance =  2.72278602401358 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.8464732635628647
Energy: 0.5721710859633331
Energy: 0.6001448753517136
Energy: 0.5983587209541106
Energy: 0.5566286254653329
Energy: 0.5996766524708482
Energy: 0.5949540147804366
Energy: 0.5539589677721274
Energy: 0.5536957344766819
Energy: 0.5533752090853218
Energy: 0.5542786660270864
Energy: 0.5545929774048739
Energy: 0.5693827499798608
Energy: 0.5360690203987993
Energy: 0.530616932924354
Energy: 0.5324384553690503
Energy: 0.5353255115298539
Energy: 0.5300777866976312
Energy: 0.5692036896048971
Energy: 0.5316013024564648
Energy: 0.5312999361554097
Energy: 0.5320120359169842
Energy: 0.5312243690131526
Energy: 0.5314412979442268
Energy: 0.5937682950490446
Energy: 0.5563679522020173
Energy: 0.5566228222457317
Energy: 0.556555397185425
Energy: 0.5545190926531116
Energy: 0.5560320741937502
Energy: 0.5947782615549227
Energy: 0.5441367126327756
Energy: 0.5575661576993072
Energy: 0.5571882449833837
Energy: 0.5451980289410732
Energy: 0.558210333026312
Energy: 0.6055838529219736
Energy: 0.5544895171333882
Energy: 0.5538008168165941
Energy: 0.5378747723779744
Energy: 0.5542696675727482
Energy: 0.5537270838842059

minimum gb energy = 0.5300777866976312 eV
minimum distance =  2.72705158537426 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.760719342855832
Energy: 0.7877196150601076
Energy: 0.5663144578525553
Energy: 0.6278999731372632
Energy: 0.8042144749277623
Energy: 0.635691181532307
Energy: 0.6165038309520114
Energy: 0.6183010113859702
Energy: 0.6143624897334413
Energy: 0.6129749439103225
Energy: 0.6170472212980772
Energy: 0.6088606484143514
Energy: 0.6346626618351632
Energy: 0.6262743163065878
Energy: 0.6136953557313444
Energy: 0.6195259299087436
Energy: 0.6246793164567706
Energy: 0.6177435295910064
Energy: 0.6141138430635018
Energy: 0.6137044195100401
Energy: 0.6186304240038275
Energy: 0.6037389234668933
Energy: 0.5987940413964732
Energy: 0.6153336611911336
Energy: 0.5959366935330833
Energy: 0.5807077084652241
Energy: 0.5812000665291422
Energy: 0.5798582407250771
Energy: 0.584314446003071
Energy: 0.5791935395240388
Energy: 0.6180127468935322
Energy: 0.5804683400023745
Energy: 0.5793364721171447
Energy: 0.5910721302811108
Energy: 0.5986384731308507
Energy: 0.5770670844757594
Energy: 0.5959437576679274
Energy: 0.5781794509581815
Energy: 0.5815547315343546
Energy: 0.5798119995070216
Energy: 0.5781806840456695
Energy: 0.5763542068943349
Energy: 0.7374260786264165
Energy: 0.6108583868350989
Energy: 0.5966239108379987
Energy: 0.6301956063875622
Energy: 0.6163712358510308
Energy: 0.6185156390653637
Energy: 0.5950474321898594
Energy: 0.6724518654764529
Energy: 0.6098322649502549
Energy: 0.5786087920248623
Energy: 0.5797512387280097
Energy: 0.6098928915112727
Energy: 0.6184017526833628
Energy: 0.6249700318484603
Energy: 0.6234170284526336
Energy: 0.6281637867079057
Energy: 0.6276750552242634
Energy: 0.6216108534404706
Energy: 0.6265918658776715
Energy: 0.5952528431588008
Energy: 0.5956346303252789
Energy: 0.5765327972599018
Energy: 0.5637242813368109
Energy: 0.5795807380594524
Energy: 0.626101468162439
Energy: 0.5758887757201684
Energy: 0.5771797386186889
Energy: 0.5764790429553659
Energy: 0.5784126418573234
Energy: 0.5791224016395826
Energy: 0.606432118105305
Energy: 0.5742586930060151
Energy: 0.5752482865473465
Energy: 0.5696508811526775
Energy: 0.5779668860055278
Energy: 0.5794505242184833
Energy: 0.6771209801514312
Energy: 0.6722133261100016
Energy: 0.6719676886678848
Energy: 0.6097467760093217
Energy: 0.6071079999122616
Energy: 0.6112376442528619
Energy: 0.6657814234427123
Energy: 0.6203546475740677
Energy: 0.6208414976446273
Energy: 0.5944055375374849
Energy: 0.617515288566701
Energy: 0.6188527347929182
Energy: 0.6737399881227983
Energy: 0.6067433496547455
Energy: 0.6138779438638642
Energy: 0.6164476592933658
Energy: 0.6057957999613669
Energy: 0.6099891594844493
Energy: 0.6740790671140976
Energy: 0.6307058732578978
Energy: 0.627636673118214
Energy: 0.6069045462477082
Energy: 0.6315697875353944
Energy: 0.6116700785016371
Energy: 0.7006151728166995
Energy: 0.6110029133417991
Energy: 0.6156016977502586
Energy: 0.6166220339266459
Energy: 0.615512715409119
Energy: 0.6152475722725372
Energy: 0.7024549403692372
Energy: 0.6091272517855341
Energy: 0.6119454271979542
Energy: 0.6323596750727551
Energy: 0.6206051789888888
Energy: 0.6363412386040046
Energy: 0.6502428941452083
Energy: 0.6067673990983565
Energy: 0.6084092105838138
Energy: 0.6375317168183554
Energy: 0.6142410771420467
Energy: 0.632266194569997
Energy: 0.5984601574050396
Energy: 0.5650550263305568
Energy: 0.5649385238492846
Energy: 0.5657200627864162
Energy: 0.5627294879076026
Energy: 0.5637408662994827
Energy: 0.5981753939318225
Energy: 0.564892013936183
Energy: 0.5656678210909505
Energy: 0.5604921289113357
Energy: 0.5663219344948311
Energy: 0.5658387848515636
Energy: 0.5969996844849921
Energy: 0.562872527240952
Energy: 0.5627886155490239
Energy: 0.5651075047268128
Energy: 0.5642659032309592
Energy: 0.5621283493325263
Energy: 0.6147751262345046
Energy: 0.6250460748220142
Energy: 0.6249511895254358
Energy: 0.5893424844298233
Energy: 0.6289605813584506
Energy: 0.6205036245846545
Energy: 0.6285383624159581
Energy: 0.6132298375397116
Energy: 0.6122199552970359
Energy: 0.6075842172118155
Energy: 0.6103282254351957
Energy: 0.6086126102801375
Energy: 0.7115370581471376
Energy: 0.6165101247797736
Energy: 0.608516599506794
Energy: 0.594397784796523
Energy: 0.6134527781628316
Energy: 0.5950271955003135
Energy: 0.6116037290080152
Energy: 0.6265504566770304
Energy: 0.596641059632429
Energy: 0.5962568441621323
Energy: 0.6297593706818128
Energy: 0.5934638865048932
Energy: 0.6224825455534998
Energy: 0.6166260525487605
Energy: 0.6157315407482514
Energy: 0.6081362834256998
Energy: 0.613512229370108
Energy: 0.6140637132637851
Energy: 0.6348654497137812
Energy: 0.6241356800730833
Energy: 0.6236834797177515
Energy: 0.6182787816884631
Energy: 0.625086950515756
Energy: 0.6207636180082672
Energy: 0.6704476944152067
Energy: 0.5754499658905162
Energy: 0.5762171498685419
Energy: 0.6513160854819537
Energy: 0.5668754519898936
Energy: 0.5740163313483617
Energy: 0.6184666813109775
Energy: 0.5903225815417842
Energy: 0.5912325090265176
Energy: 0.5914152432713099
Energy: 0.5907114162820322
Energy: 0.5913656954472652
Energy: 0.5950947089523717
Energy: 0.5776785982495938
Energy: 0.5766015108312472
Energy: 0.579397182674326
Energy: 0.5840369852939921
Energy: 0.5751552602566985
Energy: 0.6792038904465503
Energy: 0.622470383255863
Energy: 0.6268840499392686
Energy: 0.6269322518693191
Energy: 0.6224619023238832
Energy: 0.6343546792532098
Energy: 0.7060296986202373
Energy: 0.5779583093622328
Energy: 0.5749789328071654
Energy: 0.6158258309610918
Energy: 0.578559205637154
Energy: 0.5813745739289957
Energy: 0.5953515411923143
Energy: 0.588733040422986
Energy: 0.5875985578138768
Energy: 0.5809973053994723
Energy: 0.5970612064897789
Energy: 0.5769294633227555
Energy: 0.6263790837423795
Energy: 0.6244099203859609
Energy: 0.6227585226222159
Energy: 0.5732566056513116
Energy: 0.6259721622816633
Energy: 0.6220773784864698
Energy: 0.6267625443195105
Energy: 0.5783555501430164
Energy: 0.5785659279402101
Energy: 0.58189902678225
Energy: 0.5796909957655969
Energy: 0.5791851937067426
Energy: 0.60736804018583
Energy: 0.5901343679066018
Energy: 0.5900694622918187
Energy: 0.567319807253485
Energy: 0.5907111267500835
Energy: 0.5900662604684146
Energy: 0.5970562128362551
Energy: 0.5810608235861446
Energy: 0.5737156354908518
Energy: 0.6469511933190442
Energy: 0.5803628058094961
Energy: 0.5764524880138567
Energy: 0.6290322398280084
Energy: 0.6203195770492627
Energy: 0.6078462640000107
Energy: 0.6002492514411228
Energy: 0.6199866381608438
Energy: 0.6082260463229765
Energy: 0.6748912890987632
Energy: 0.6100180410787586
Energy: 0.6124385576180537
Energy: 0.6217295490284157
Energy: 0.6079649346164105
Energy: 0.6162947091984468
Energy: 0.6733149151422342
Energy: 0.5777905257489072
Energy: 0.6120248758643438
Energy: 0.6100000471595488
Energy: 0.6197734237692064
Energy: 0.6132143025172194
Energy: 0.7007031654832571
Energy: 0.6259363879679787
Energy: 0.6232250408057841
Energy: 0.6120051817033197
Energy: 0.6270425366301222
Energy: 0.6186087256278182
Energy: 0.7034281131974568
Energy: 0.6083554788908349
Energy: 0.6109163193126343
Energy: 0.6159871634580594
Energy: 0.6104325543969595
Energy: 0.611387867656192
Energy: 0.7116113936526708
Energy: 0.62794615311607
Energy: 0.6200914127693177
Energy: 0.6365006378205657
Energy: 0.5896968394828461
Energy: 0.6217263330025268
Energy: 0.5972221157891056
Energy: 0.5615850693948412
Energy: 0.5611427398003023
Energy: 0.5638113285514746
Energy: 0.5649183355408988
Energy: 0.5612535268708992
Energy: 0.5989782204029771
Energy: 0.5638131706603605
Energy: 0.5645864352503882
Energy: 0.5605047105304152
Energy: 0.5596819486697995
Energy: 0.5650467225240179
Energy: 0.597570452446658
Energy: 0.5639216216960232
Energy: 0.5642254800882505
Energy: 0.5604342724299458
Energy: 0.5611155216899896
Energy: 0.5637649471847039
Energy: 0.6453015719978599
Energy: 0.6186332483108903
Energy: 0.6107269528074072
Energy: 0.6128446777873063
Energy: 0.6085384360691481
Energy: 0.6136551584677737
Energy: 0.6367480561592413
Energy: 0.6179949245438122
Energy: 0.6170848736452395
Energy: 0.6184703229276264
Energy: 0.6203872241295634
Energy: 0.613989582236062
Energy: 0.6023025192034627
Energy: 0.5758268794014573
Energy: 0.6141160474748731
Energy: 0.5926921445060551
Energy: 0.5749928622448158
Energy: 0.6162722165857352

minimum gb energy = 0.5596819486697995 eV
minimum distance =  2.69617690033071 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.3927800632147778
Energy: 0.6316660546573001
Energy: 0.6138505365029868
Energy: 0.6989408190983073
Energy: 0.6300224101549263
Energy: 0.7032544226072152
Energy: 0.6112046062479356
Energy: 0.5700689768485533
Energy: 0.6453288641929111
Energy: 0.5953891602662861
Energy: 0.5698652380929246
Energy: 0.6488599022232374
Energy: 0.6006984626185972
Energy: 0.5559615996617338
Energy: 0.5562011024931115
Energy: 0.5782988949447089
Energy: 0.5561517132291885
Energy: 0.60492496416744
Energy: 0.5678470492831619
Energy: 0.5561460299983695
Energy: 0.6443982539849415
Energy: 0.5819426671727805
Energy: 0.5556835823521952
Energy: 0.6046031678943873
Energy: 0.6174314166863002
Energy: 0.6040130236748338
Energy: 0.605162982623308
Energy: 0.6050866813283193
Energy: 0.6037989015475378
Energy: 0.6049734934027123
Energy: 0.6188062790914811
Energy: 0.6065518887277148
Energy: 0.6066314897806272
Energy: 0.5528129699310176
Energy: 0.6044907249381875
Energy: 0.6061122629088465
Energy: 0.6181168127514947
Energy: 0.6014085075701072
Energy: 0.6035552925727998
Energy: 0.6106446483895336
Energy: 0.5972976827452438
Energy: 0.603862476685064
Energy: 0.758333737628265
Energy: 0.6216505206751365
Energy: 0.6217040305295275
Energy: 0.6234775309894474
Energy: 0.6250368013844918
Energy: 0.6186919604306802
Energy: 0.6154722603331276
Energy: 0.6321012088890986
Energy: 0.6320205802034682
Energy: 0.6921551290322119
Energy: 0.6326949377160223
Energy: 0.6318557365020226
Energy: 0.6345611418764545
Energy: 0.6162442049827728
Energy: 0.6146481844361136
Energy: 0.6159012880288717
Energy: 0.6160143265605892
Energy: 0.6160931090444952
Energy: 0.6132618893281143
Energy: 0.5427026976993554
Energy: 0.6225082655645089
Energy: 0.6092012531782913
Energy: 0.625393551838079
Energy: 0.6070856452620783
Energy: 0.6004174416408026
Energy: 0.5597060029453053
Energy: 0.5594824409038651
Energy: 0.5548820892376226
Energy: 0.5587813366181681
Energy: 0.5593541457384891
Energy: 0.6006135276933651
Energy: 0.6274233946465452
Energy: 0.627647381651916
Energy: 0.5564642313410928
Energy: 0.6283273081085562
Energy: 0.5572889492981068
Energy: 0.6664969361482009
Energy: 0.5793827197970497
Energy: 0.5911530364962374
Energy: 0.5879322874506566
Energy: 0.5770405289243016
Energy: 0.5895514257755001
Energy: 0.6921766409934974
Energy: 0.6167594171314145
Energy: 0.5211072358655944
Energy: 0.4491360111023245
Energy: 0.5212262654474443
Energy: 0.5224039920715077
Energy: 0.6720263247857514
Energy: 0.6631383678683502
Energy: 0.6664795680590834
Energy: 0.6648226193587229
Energy: 0.6624307401347339
Energy: 0.6667477269945395
Energy: 0.6670340332361134
Energy: 0.5998868733073685
Energy: 0.5994710059812667
Energy: 0.6106643436529482
Energy: 0.6164204245383843
Energy: 0.6080453798685678
Energy: 0.7023214818134065
Energy: 0.5863723376869105
Energy: 0.5898396227200827
Energy: 0.5862783756928022
Energy: 0.5875387978563302
Energy: 0.5862009268980478
Energy: 0.6828386204542078
Energy: 0.6189255842526858
Energy: 0.6177352682081381
Energy: 0.6188929199938452
Energy: 0.6113393089116723
Energy: 0.6177765662930695
Energy: 0.6942593364143937
Energy: 0.6162432809364483
Energy: 0.6173478374587343
Energy: 0.6185348338067577
Energy: 0.6094677451385921
Energy: 0.6172994583061603
Energy: 0.5656317259558844
Energy: 0.5230713074340211
Energy: 0.5226395936357487
Energy: 0.5215544277277201
Energy: 0.5224000417796987
Energy: 0.5259924951762028
Energy: 0.6525512918356657
Energy: 0.5688997890609466
Energy: 0.5911880861840401
Energy: 0.5763103861419844
Energy: 0.5684884984448413
Energy: 0.5856955367156618
Energy: 0.6849795569174494
Energy: 0.6052603256877328
Energy: 0.6036018209243574
Energy: 0.5247593119938955
Energy: 0.6058531501620942
Energy: 0.6122370221587913
Energy: 0.659071797470683
Energy: 0.6290888929570964
Energy: 0.6341243848145789
Energy: 0.5745782703351376
Energy: 0.5751814102123045
Energy: 0.6178531869561588
Energy: 0.6282461632362041
Energy: 0.6165002159283411
Energy: 0.6179444918641883
Energy: 0.6166169455987935
Energy: 0.6123165815979781
Energy: 0.6186557813659849
Energy: 0.6712405029322851
Energy: 0.6723770580574191
Energy: 0.6730752680842178
Energy: 0.6133305919605033
Energy: 0.6722575432062755
Energy: 0.6761018231386474
Energy: 0.670586597889846
Energy: 0.6244831297408304
Energy: 0.6239797031415416
Energy: 0.6098534004996121
Energy: 0.6252977857237553
Energy: 0.6237919684865603
Energy: 0.6370540593869783
Energy: 0.6146687042036614
Energy: 0.6619785166078277
Energy: 0.6636395210573248
Energy: 0.6127845805250486
Energy: 0.6621471455076147
Energy: 0.6300883704022551
Energy: 0.6142280809210587
Energy: 0.6137591714207379
Energy: 0.6128496369713002
Energy: 0.6150864853496464
Energy: 0.6162005104743898
Energy: 0.6375087810534696
Energy: 0.5617512538855051
Energy: 0.5619222195677701
Energy: 0.5613754957623105
Energy: 0.5591973769775687
Energy: 0.5599873693629819
Energy: 0.6558098342656596
Energy: 0.5763293728423029
Energy: 0.5706960219928966
Energy: 0.5681785088818481
Energy: 0.5359405146308598
Energy: 0.5573457479697396
Energy: 0.6384307039721173
Energy: 0.5614085480047523
Energy: 0.5708697558115305
Energy: 0.5782762259832106
Energy: 0.5607140697137717
Energy: 0.5722943526583817
Energy: 0.6594798500292938
Energy: 0.6046180034763828
Energy: 0.6062284037114184
Energy: 0.6049000649051801
Energy: 0.6070948887145695
Energy: 0.6064855093293481
Energy: 0.659101968508491
Energy: 0.6031889280455415
Energy: 0.604051500638644
Energy: 0.6031607937744664
Energy: 0.604186485167212
Energy: 0.6041514937696429
Energy: 0.6541936247458533
Energy: 0.6107998321257913
Energy: 0.6074692348100733
Energy: 0.6006299362679917
Energy: 0.6132608964146468
Energy: 0.6028634534269617
Energy: 0.6649860785986891
Energy: 0.612227451074544
Energy: 0.6126350271861933
Energy: 0.6303908433362697
Energy: 0.6122249976625397
Energy: 0.6348083633932279
Energy: 0.673194416566172
Energy: 0.6125947664797374
Energy: 0.6100834178898759
Energy: 0.6766353608718444
Energy: 0.60295993796114
Energy: 0.6930838878569949
Energy: 0.6908105797602642
Energy: 0.5996624742517236
Energy: 0.5990528680606821
Energy: 0.5948158125959333
Energy: 0.6144539966771531
Energy: 0.5987744401572714

minimum gb energy = 0.4491360111023245 eV
minimum distance =  2.70802289875533 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.818005129594762
Energy: 0.6035559957719456
Energy: 0.5627080339030192
Energy: 0.6442750577448354
Energy: 0.6019758037273027
Energy: 0.6710198026313867
Energy: 0.6110685541138012
Energy: 0.5435777948610266
Energy: 0.5712516521717924
Energy: 0.6053687306583173
Energy: 0.5448856877861207
Energy: 0.5634381105354221
Energy: 0.5984146629046021
Energy: 0.5820075034641095
Energy: 0.5816825884347739
Energy: 0.609022113127854
Energy: 0.5824316904249179
Energy: 0.6096178401836975
Energy: 0.6136201306880269
Energy: 0.5824256981888316
Energy: 0.6708409656919488
Energy: 0.6030975252351642
Energy: 0.5826229267194869
Energy: 0.6015440281077052
Energy: 0.5736546192752678
Energy: 0.530471608466237
Energy: 0.5304202336179306
Energy: 0.5315610653109226
Energy: 0.5305036378293977
Energy: 0.5306081373064042
Energy: 0.5663408570964927
Energy: 0.5306836627989546
Energy: 0.5308386967494765
Energy: 0.5305016738232156
Energy: 0.5305202093937458
Energy: 0.5306513433365478
Energy: 0.5706330462631133
Energy: 0.5314299557513004
Energy: 0.5309528617128969
Energy: 0.5314638032506243
Energy: 0.530698449271641
Energy: 0.5310983196601853
Energy: 0.6373318796441066
Energy: 0.6116570541283431
Energy: 0.6040399836873325
Energy: 0.5790611784537552
Energy: 0.5935110075163558
Energy: 0.6336636546794792
Energy: 0.5725312344009549
Energy: 0.6103365419562297
Energy: 0.6060504536979812
Energy: 0.5421715057787669
Energy: 0.6067482507172264
Energy: 0.6047009245177749
Energy: 0.702465758362813
Energy: 0.6135624507587532
Energy: 0.6224949435959569
Energy: 0.5921798669112104
Energy: 0.6290341356649707
Energy: 0.62236633939789
Energy: 0.5742942290961822
Energy: 0.6154614089359373
Energy: 0.5988960981549833
Energy: 0.5441808534785897
Energy: 0.6230916097456201
Energy: 0.5434753054544474
Energy: 0.6589684427868122
Energy: 0.6076834502986355
Energy: 0.6028617128903677
Energy: 0.5481424017613604
Energy: 0.6109297514782388
Energy: 0.6180847753108717
Energy: 0.6572599119540288
Energy: 0.6060903840388364
Energy: 0.6350952066648569
Energy: 0.5861254052757047
Energy: 0.6035642874439544
Energy: 0.6240123806052922
Energy: 0.5737759001066418
Energy: 0.5439467299392022
Energy: 0.5425774219120796
Energy: 0.5442283892631723
Energy: 0.544058344967555
Energy: 0.5427707793143889
Energy: 0.5725948112966806
Energy: 0.54388282197582
Energy: 0.5437943630608951
Energy: 0.5441003658677263
Energy: 0.5314389644160857
Energy: 0.543960141133581
Energy: 0.5707672061498132
Energy: 0.5317965765446666
Energy: 0.5340110649147469
Energy: 0.541696994083098
Energy: 0.5314159298332287
Energy: 0.5342136980489858
Energy: 0.61533626723249
Energy: 0.5678977719198038
Energy: 0.5678049537477812
Energy: 0.5777939872408222
Energy: 0.5478872240995213
Energy: 0.5674540007034026
Energy: 0.5892435497974899
Energy: 0.5683741559012689
Energy: 0.5688707864319535
Energy: 0.569677703876393
Energy: 0.5707489456576748
Energy: 0.5689522909484623
Energy: 0.7034218196150602
Energy: 0.5761410720771202
Energy: 0.5698981546371781
Energy: 0.6261158079913177
Energy: 0.5772757819590055
Energy: 0.6020514443271359
Energy: 0.6860220853897
Energy: 0.57551365031267
Energy: 0.5749263615772264
Energy: 0.626523939593929
Energy: 0.5744455089903839
Energy: 0.6141563704432845
Energy: 0.5903444619358056
Energy: 0.6787003654316479
Energy: 0.5735235089413905
Energy: 0.5690891669379655
Energy: 0.5560221095429438
Energy: 0.5676567137870256
Energy: 0.6257902217810544
Energy: 0.6375565009965883
Energy: 0.6835092091062216
Energy: 0.5725146423592281
Energy: 0.5946245907229735
Energy: 0.6837703791587789
Energy: 0.6711324492629293
Energy: 0.5708948373711553
Energy: 0.571020719606797
Energy: 0.564996092178426
Energy: 0.5705964985379312
Energy: 0.5716292034959279
Energy: 0.6111677343353349
Energy: 0.5777866541274481
Energy: 0.5755963850653621
Energy: 0.5562202471584988
Energy: 0.5762032433462559
Energy: 0.5760463858940259
Energy: 0.672725094796718
Energy: 0.5762469152222326
Energy: 0.5753653407429146
Energy: 0.5539668333133646
Energy: 0.5714681939182364
Energy: 0.5692817740477875
Energy: 0.5942112247546488
Energy: 0.5440467042748013
Energy: 0.5443416910612564
Energy: 0.5441839243976493
Energy: 0.5434396686851779
Energy: 0.5442139787792295
Energy: 0.5952129932777578
Energy: 0.5441028124469438
Energy: 0.5440612925410292
Energy: 0.5426263124812072
Energy: 0.5434575987801722
Energy: 0.5440815372033281
Energy: 0.5933690965310695
Energy: 0.5437014437684078
Energy: 0.5436562184701759
Energy: 0.5310256071871743
Energy: 0.5442363365211615
Energy: 0.5434843572680024
Energy: 0.6059634080547217
Energy: 0.5647011219657826
Energy: 0.5643172641273937
Energy: 0.6195636580540903
Energy: 0.5820748262255139
Energy: 0.5714388153535572
Energy: 0.610319131859908
Energy: 0.5443038095243087
Energy: 0.5439860754797873
Energy: 0.6037213318729244
Energy: 0.543890807957298
Energy: 0.6117840431003649
Energy: 0.7578911561222005
Energy: 0.5722027983408314
Energy: 0.5873585694452401
Energy: 0.647036213515235
Energy: 0.5718476575658714
Energy: 0.5873997242559528

minimum gb energy = 0.5304202336179306 eV
minimum distance =  2.69638263621933 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.7366919694588718
Energy: 0.6610997196371121
Energy: 0.6795750460901344
Energy: 0.5418808418291935
Energy: 0.6709662329148858
Energy: 0.6813834667782038
Energy: 0.5897809968199248
Energy: 0.5209574062694883
Energy: 0.5210903289459571
Energy: 0.5235171728795782
Energy: 0.5219889747933162
Energy: 0.522009895912867
Energy: 0.5742853347001237
Energy: 0.5264918506507963
Energy: 0.5259446548855446
Energy: 0.5847907664636978
Energy: 0.5225229697838844
Energy: 0.5256838345286564
Energy: 0.620056307882265
Energy: 0.5212322498296812
Energy: 0.5254705574651239
Energy: 0.5203819972721221
Energy: 0.5203281818130595
Energy: 0.5212062442640496
Energy: 0.5601595620482035
Energy: 0.5196655522113048
Energy: 0.5192663523006732
Energy: 0.5185392474991768
Energy: 0.5204108739478523
Energy: 0.519640230625267
Energy: 0.5478116396168274
Energy: 0.5189689260392131
Energy: 0.5193332173073362
Energy: 0.5184595386530535
Energy: 0.5188615842942905
Energy: 0.5191656818866159
Energy: 0.6425111785582386
Energy: 0.5200208554853603
Energy: 0.5363431580052282
Energy: 0.5200569273861516
Energy: 0.5193563982781282
Energy: 0.5355757081617237
Energy: 0.5616676578583084
Energy: 0.5784814089522541
Energy: 0.5817240955243071
Energy: 0.5263952784984781
Energy: 0.5902390800311944
Energy: 0.5796461583494813
Energy: 0.6418720240961308
Energy: 0.5694690632178333
Energy: 0.5705914254485557
Energy: 0.523153689070236
Energy: 0.5722608410708866
Energy: 0.523410009725329
Energy: 0.7576533795432736
Energy: 0.5884775634471365
Energy: 0.5854823860263598
Energy: 0.5940709528718233
Energy: 0.5869849541368399
Energy: 0.6021612909679219
Energy: 0.5752538596026413
Energy: 0.536233332481146
Energy: 0.5344846665610539
Energy: 0.5703326217389605
Energy: 0.535978002826027
Energy: 0.5712042770661085
Energy: 0.5468408491803914
Energy: 0.5686743812328187
Energy: 0.5713690063953364
Energy: 0.5233354466001269
Energy: 0.5830916851095731
Energy: 0.5972429394329289
Energy: 0.5458778125500375
Energy: 0.5851551955949081
Energy: 0.638849284796334
Energy: 0.6388141686880522
Energy: 0.5898286383183985
Energy: 0.6391948724117188
Energy: 0.5854706611478766
Energy: 0.5247515754858654
Energy: 0.5212921505205309
Energy: 0.5731352373643982
Energy: 0.5268692933465673
Energy: 0.5204215827551857
Energy: 0.5753730451370913
Energy: 0.5229853299819719
Energy: 0.5234724259126339
Energy: 0.584301738259393
Energy: 0.5199697368053334
Energy: 0.5230260935425488
Energy: 0.6211515417367867
Energy: 0.5199208004631066
Energy: 0.535259200332798
Energy: 0.5254462502524126
Energy: 0.5200778077545726
Energy: 0.5198276817509685
Energy: 0.5599057979377366
Energy: 0.5194829196224722
Energy: 0.5195364974971328
Energy: 0.5202780012103323
Energy: 0.519295558001764
Energy: 0.5194087956485893
Energy: 0.5622886327693742
Energy: 0.519217347858806
Energy: 0.5196246778068077
Energy: 0.5193744864866452
Energy: 0.5187887320501102
Energy: 0.5197493949508466
Energy: 0.6424759291757701
Energy: 0.5835947583614817
Energy: 0.5703207223631627
Energy: 0.5213492621112439
Energy: 0.5838693320885434
Energy: 0.5706950610200273
Energy: 0.6433164150985828
Energy: 0.5809679032151511
Energy: 0.5807601317268304
Energy: 0.5880931915088795
Energy: 0.5848046805790009
Energy: 0.5726261191105504
Energy: 0.6394702415607969
Energy: 0.5737803059897569
Energy: 0.5207183846920661
Energy: 0.5204514596463776
Energy: 0.5704738875535732
Energy: 0.5195921621695979
Energy: 0.6608933582740059
Energy: 0.5864139526533412
Energy: 0.6035057779923985
Energy: 0.6241758060556053
Energy: 0.5870173841211125
Energy: 0.6257781221908061
Energy: 0.5865720111460675
Energy: 0.5713810361480024
Energy: 0.5260687562891514
Energy: 0.5674350565682542
Energy: 0.5720556463174878
Energy: 0.5210995882204358
Energy: 0.5461250260710905
Energy: 0.5859595962212744
Energy: 0.6371910286233893
Energy: 0.6390080666879456
Energy: 0.5851224782823303
Energy: 0.6393582236891026

minimum gb energy = 0.5184595386530535 eV
minimum distance =  2.69594068557791 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.7960442474874202
Energy: 0.6546325638181207
Energy: 0.5959765629365572
Energy: 0.5065023095954696
Energy: 0.7089632250523878
Energy: 0.5072461988707948
Energy: 0.6799790544190831
Energy: 0.5110001993884704
Energy: 0.51184891605118
Energy: 0.6172340974863276
Energy: 0.5109975435583662
Energy: 0.512246492071197
Energy: 0.6310303197235676
Energy: 0.4915632289878786
Energy: 0.4899797469721869
Energy: 0.5242456732916319
Energy: 0.4918959541193092
Energy: 0.48908669425454154
Energy: 0.6398308118575067
Energy: 0.4918149063870958
Energy: 0.49049184020036174
Energy: 0.5924564097530787
Energy: 0.490956984200815
Energy: 0.5125294211985278
Energy: 0.635281934393044
Energy: 0.47542756269611663
Energy: 0.47550089876273954
Energy: 0.47895298298839456
Energy: 0.47582384623403806
Energy: 0.4763665767104849
Energy: 0.5532475627492861
Energy: 0.4805597640879251
Energy: 0.4805225004853103
Energy: 0.4662802722715535
Energy: 0.48076552100021913
Energy: 0.4658606554046799
Energy: 0.5820330669740283
Energy: 0.46700970598640135
Energy: 0.46569124406454554
Energy: 0.46610856934732353
Energy: 0.467228917820415
Energy: 0.4670279016712505
Energy: 0.5378323878027815
Energy: 0.4653920337602112
Energy: 0.4656299179629244
Energy: 0.46604714693500976
Energy: 0.4660204490470115
Energy: 0.4659863382545379
Energy: 0.5166653191757021
Energy: 0.46575293275706414
Energy: 0.46525235590820596
Energy: 0.5019987555065566
Energy: 0.46586520594296316
Energy: 0.46580022248110764
Energy: 0.5369159416189572
Energy: 0.4807430564581643
Energy: 0.48026168885321185
Energy: 0.47482603784703237
Energy: 0.48106372318729324
Energy: 0.48021107614542213
Energy: 0.5794232040840088
Energy: 0.47704800455634566
Energy: 0.4762589450624483
Energy: 0.47581601301704946
Energy: 0.4774980750945328
Energy: 0.4753570689852786
Energy: 0.636028415320392
Energy: 0.5109942984074772
Energy: 0.511367189337164
Energy: 0.4828385027712413
Energy: 0.5923904125205925
Energy: 0.5121811504165369
Energy: 0.6357155108856904
Energy: 0.5244774727273197
Energy: 0.5239856366005353
Energy: 0.48325482096712924
Energy: 0.5241590249713178
Energy: 0.5239968157054943
Energy: 0.6582503158720046
Energy: 0.5237318831636274
Energy: 0.4973580848707873
Energy: 0.49724959935602076
Energy: 0.5233650972338377
Energy: 0.4963399550961455
Energy: 0.6320923214188325
Energy: 0.5451713174423068
Energy: 0.5461432734874881
Energy: 0.5266535247046912
Energy: 0.5664279455556012
Energy: 0.5485000521283341
Energy: 0.6800408024924763
Energy: 0.5103339288701226
Energy: 0.5117064663461175
Energy: 0.5235811310928009
Energy: 0.5295337046393285
Energy: 0.5119018194501397
Energy: 0.6735243984622669
Energy: 0.5240376214633531
Energy: 0.5718656241922286
Energy: 0.499416807760788
Energy: 0.5240973395132444
Energy: 0.5580120421869209

minimum gb energy = 0.46525235590820596 eV
minimum distance =  2.69022435375918 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.5493391492520145
Energy: 0.5790067825165822
Energy: 0.503479215123897
Energy: 0.4662532892572797
Energy: 0.5790766636894197
Energy: 0.4624236629024978
Energy: 0.704025768142209
Energy: 0.4622223904331984
Energy: 0.4659790191068157
Energy: 0.4895288373920043
Energy: 0.4843263269649669
Energy: 0.4658802692172612
Energy: 0.7454999363821633
Energy: 0.4349003002708443
Energy: 0.4538378838320941
Energy: 0.48293519969975335
Energy: 0.4348281906970896
Energy: 0.453877723553966
Energy: 0.6152810741275133
Energy: 0.4550808233352811
Energy: 0.45488297852027365
Energy: 0.5594872207353777
Energy: 0.4302782984384453
Energy: 0.45358360034168355
Energy: 0.574601881270858
Energy: 0.4399499099871354
Energy: 0.44002699833401293
Energy: 0.4500986757341498
Energy: 0.4403374683501025
Energy: 0.4411087804962926
Energy: 0.5324485663886468
Energy: 0.43863388210384185
Energy: 0.42868983601885524
Energy: 0.4309352168052651
Energy: 0.43916089943332426
Energy: 0.42894333416761354
Energy: 0.5399095617925206
Energy: 0.4473339766690994
Energy: 0.4282509675409151
Energy: 0.4292707369085519
Energy: 0.4421473101495569
Energy: 0.4283406613486604
Energy: 0.5354839971232043
Energy: 0.4292162313395395
Energy: 0.4251203053699142
Energy: 0.42795702356681303
Energy: 0.42899623639125584
Energy: 0.42714197555153777
Energy: 0.5515112575538348
Energy: 0.4259167959989909
Energy: 0.4261452326597724
Energy: 0.5519246181390755
Energy: 0.4315198562686958
Energy: 0.43053783617622454
Energy: 0.540717401516238
Energy: 0.42486161138472
Energy: 0.42496784315276953
Energy: 0.4392010673513879
Energy: 0.42572003074415754
Energy: 0.4253088261590854
Energy: 0.48588574012953106
Energy: 0.42726541714977373
Energy: 0.42786390662364426
Energy: 0.4274755310649867
Energy: 0.43597581320554885
Energy: 0.4280930750902829
Energy: 0.543708277795142
Energy: 0.4311375941006032
Energy: 0.4260351369366203
Energy: 0.43226272498666574
Energy: 0.4945078140750448
Energy: 0.425296273936166
Energy: 0.513115650576353
Energy: 0.424010735528828
Energy: 0.42420432212471476
Energy: 0.4262696138499882
Energy: 0.43748418707293024
Energy: 0.42474439227163313
Energy: 0.5657008840090137
Energy: 0.4284119390218836
Energy: 0.42826099843621546
Energy: 0.44351482772501266
Energy: 0.4332225712524314
Energy: 0.42822260677644486
Energy: 0.5654039903227811
Energy: 0.4361005568316939
Energy: 0.43574087115716637
Energy: 0.43931934506019893
Energy: 0.43574288456343196
Energy: 0.43976050184255805
Energy: 0.5622724306909994
Energy: 0.44098658524702555
Energy: 0.4415241015615351
Energy: 0.44072542056988523
Energy: 0.47353909945132844
Energy: 0.4413930321934938
Energy: 0.5508331308677059
Energy: 0.4882706313196911
Energy: 0.4759433348833521
Energy: 0.4473836279413491
Energy: 0.483629802643551
Energy: 0.4443139451459032
Energy: 0.5739373439281281
Energy: 0.48303496987481975
Energy: 0.48329238696327886
Energy: 0.4462413238175958
Energy: 0.4830154728937745
Energy: 0.4443469005412651
Energy: 0.6448881861989063
Energy: 0.4866573564120919
Energy: 0.46661116754140547
Energy: 0.4842254202598441
Energy: 0.44426817955509806
Energy: 0.46513843370864894
Energy: 0.6149268988685962
Energy: 0.4650406786425859
Energy: 0.46464472902746773
Energy: 0.4830762873570773
Energy: 0.46584294031347373
Energy: 0.5112279871303077
Energy: 0.646720700692885
Energy: 0.48881010817885623
Energy: 0.46599085271406243
Energy: 0.4916974426290135
Energy: 0.49000802991692627
Energy: 0.46580901809516945
Energy: 0.5501088284986905
Energy: 0.509671393542104
Energy: 0.5156328437728894
Energy: 0.4610908254414786
Energy: 0.5111779399336052
Energy: 0.45972309384439775
Energy: 0.6276887566701094
Energy: 0.48763615028790785
Energy: 0.4632684716296471
Energy: 0.45667872785340646
Energy: 0.48426439519168957
Energy: 0.49748281150664037
Energy: 0.6451295797499051
Energy: 0.4483831935431117
Energy: 0.46240895668154497
Energy: 0.4832237958631724
Energy: 0.4604117173340551
Energy: 0.48444323448711807
Energy: 0.6341943413845291
Energy: 0.43479925569351296
Energy: 0.45391081459434135
Energy: 0.48328578628800617
Energy: 0.4349199105746923
Energy: 0.45318382482528285
Energy: 0.636049533693913
Energy: 0.4455609673655629
Energy: 0.44574814461407997
Energy: 0.44604637203990427
Energy: 0.4456784285493873
Energy: 0.44056297244151427
Energy: 0.5329191498721966
Energy: 0.44089071632010146
Energy: 0.4405175856144091
Energy: 0.43071105286676037
Energy: 0.4404678735874791
Energy: 0.4469746336784729
Energy: 0.539775522035126
Energy: 0.44110924519631217
Energy: 0.4408654979463756
Energy: 0.43613938030462174
Energy: 0.44060068727967466
Energy: 0.44502339213415254
Energy: 0.533502652049998
Energy: 0.42600460900028575
Energy: 0.42581737589840934
Energy: 0.4262964305314924
Energy: 0.4259791431924452
Energy: 0.42582543095840786
Energy: 0.5454689423678674
Energy: 0.4221988760057199
Energy: 0.42488087621100434
Energy: 0.496749219121727
Energy: 0.4274963158172305
Energy: 0.4243817936868207
Energy: 0.5477528960709802
Energy: 0.4244234087882194
Energy: 0.42494746490832397
Energy: 0.5485112344576107
Energy: 0.4242150124974718
Energy: 0.42508742556779916
Energy: 0.4878123904034167
Energy: 0.4251901267026459
Energy: 0.4259172262632927
Energy: 0.4269687801963194
Energy: 0.4251366688185595
Energy: 0.4259145609129487
Energy: 0.5088648525602688
Energy: 0.49240283172487265
Energy: 0.4924767629427263
Energy: 0.4260420419052469
Energy: 0.4944161045803897
Energy: 0.4899753081041817
Energy: 0.5136555021465892
Energy: 0.42799048018714
Energy: 0.4282999673776873
Energy: 0.42722162853779594
Energy: 0.4306768100440359
Energy: 0.42830217342652416
Energy: 0.5660172659116225
Energy: 0.42763320052020865
Energy: 0.4285633335431074
Energy: 0.5038712614114162
Energy: 0.42757412624482
Energy: 0.4278500004944424
Energy: 0.565327454353451
Energy: 0.42970978502830587
Energy: 0.440683120770657
Energy: 0.44006261355420945
Energy: 0.4293202934408448
Energy: 0.44027425359612915
Energy: 0.5052784051390816
Energy: 0.44125094130556564
Energy: 0.44067776012752147
Energy: 0.4399287458230142
Energy: 0.4419321528685274
Energy: 0.44019326580272955
Energy: 0.5456605376187141
Energy: 0.4839716107700769
Energy: 0.46318946253463444
Energy: 0.44091539075062913
Energy: 0.48336242429393855
Energy: 0.44530147283723986
Energy: 0.5409471036491481
Energy: 0.4831773129227699
Energy: 0.4660313616445922
Energy: 0.44601436663260535
Energy: 0.48300597024192193
Energy: 0.4634415172293587
Energy: 0.641894167120476
Energy: 0.49126168181076885
Energy: 0.4838103161346625
Energy: 0.4455901237121601
Energy: 0.49107982203905304
Energy: 0.4655322241507304
Energy: 0.7052432345187053
Energy: 0.4508363554386591
Energy: 0.5068413892615123
Energy: 0.5121681405253393
Energy: 0.45105623851033955
Energy: 0.5028257733115675
Energy: 0.6469849500905773
Energy: 0.4805909347995228
Energy: 0.477750498089765
Energy: 0.4828878953630589
Energy: 0.48078959281867645
Energy: 0.4834331804770035
Energy: 0.6277161721709903
Energy: 0.4827593787804137
Energy: 0.48315225392446537
Energy: 0.48751500751877946
Energy: 0.48276860216500167
Energy: 0.49749032881965355

minimum gb energy = 0.4221988760057199 eV
minimum distance =  2.69027328558601 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.5042427600481372
Energy: 0.5630517963538735
Energy: 0.46327620868450886
Energy: 0.40387568995011797
Energy: 0.5434619492891016
Energy: 0.46338746331520014
Energy: 0.6563960499101963
Energy: 0.41509447373639574
Energy: 0.4151157219244227
Energy: 0.44925104807105815
Energy: 0.4515663187457342
Energy: 0.43129045041083264
Energy: 0.7092415902376478
Energy: 0.40110985545080885
Energy: 0.4013892001271127
Energy: 0.4444155693553754
Energy: 0.4003648108900342
Energy: 0.4201005709044621
Energy: 0.5990935797713226
Energy: 0.40077544701945245
Energy: 0.42071764211902957
Energy: 0.4457450959560887
Energy: 0.40667308174152844
Energy: 0.42087312764994356
Energy: 0.5352380837567826
Energy: 0.4156642359000078
Energy: 0.41597058014858873
Energy: 0.41632989838340956
Energy: 0.416219930040146
Energy: 0.4084489735614172
Energy: 0.4963169086105361
Energy: 0.40737267121375115
Energy: 0.39801892024908825
Energy: 0.3937264018522649
Energy: 0.40700545590709347
Energy: 0.3987337619949162
Energy: 0.510654630459081
Energy: 0.4157195890816461
Energy: 0.4139722158741258
Energy: 0.3950274453476185
Energy: 0.4138394698457089
Energy: 0.3947033783064982
Energy: 0.5112802486153658
Energy: 0.38869454826631256
Energy: 0.3888020319344631
Energy: 0.39857420043586195
Energy: 0.3878076773030532
Energy: 0.3920703824065435
Energy: 0.5126045115600287
Energy: 0.39432895741898144
Energy: 0.392485661015517
Energy: 0.4475033772817299
Energy: 0.3927807305213341
Energy: 0.39984822090809896
Energy: 0.5135313749828644
Energy: 0.38809786249136774
Energy: 0.38790096499718174
Energy: 0.4460980210595383
Energy: 0.3881094432461313
Energy: 0.3880882835779274
Energy: 0.5028100714605661
Energy: 0.38422776373439405
Energy: 0.38395090773518287
Energy: 0.3859252911256382
Energy: 0.3863061859454343
Energy: 0.3848442574015201
Energy: 0.5093801230809328
Energy: 0.48596874408062274
Energy: 0.3901915230235428
Energy: 0.3889773371921085
Energy: 0.4380851998660067
Energy: 0.390271996367453
Energy: 0.5029566657069163
Energy: 0.4524460623783638
Energy: 0.45128468075788697
Energy: 0.3852680567355995
Energy: 0.4526396165310618
Energy: 0.3869993089318953
Energy: 0.5002933164444497
Energy: 0.38793432455562965
Energy: 0.38812586032553326
Energy: 0.5006853965208278
Energy: 0.38870595688684334
Energy: 0.4885725509895558
Energy: 0.5002119830431213
Energy: 0.3849950262428557
Energy: 0.38458284093918693
Energy: 0.42504283129472026
Energy: 0.3848292449064129
Energy: 0.3841149478964097
Energy: 0.5210481527852309
Energy: 0.42795769152497815
Energy: 0.389902122163777
Energy: 0.38610391783953174
Energy: 0.4474676984297742
Energy: 0.38916552788482206
Energy: 0.5007610042940835
Energy: 0.39073893666552734
Energy: 0.3917597641115138
Energy: 0.3867305172390325
Energy: 0.39735812626716577
Energy: 0.3918401589076939
Energy: 0.4874848123628784
Energy: 0.3919428234264289
Energy: 0.39205369679540525
Energy: 0.41035550364282697
Energy: 0.3917934363817146
Energy: 0.3925055753741594
Energy: 0.5360759110245217
Energy: 0.39524972182975754
Energy: 0.395298178133546
Energy: 0.41588984052295286
Energy: 0.3992349755095509
Energy: 0.4142018516915792
Energy: 0.5373561733840311
Energy: 0.4437866309411095
Energy: 0.39893929151851326
Energy: 0.41386453453806543
Energy: 0.4062787722443301
Energy: 0.414057540051467
Energy: 0.6073520962476119
Energy: 0.41414698434534053
Energy: 0.4128791421006557
Energy: 0.41394264550354176
Energy: 0.4139627710013619
Energy: 0.41398484553016096
Energy: 0.5002829917144374
Energy: 0.4450565758917027
Energy: 0.410254921054999
Energy: 0.3964945762629375
Energy: 0.44539984353767365
Energy: 0.4106984294435892
Energy: 0.5452460406102204
Energy: 0.44322072342001656
Energy: 0.443666850142059
Energy: 0.4217757438117295
Energy: 0.4456310191841528
Energy: 0.4452806536347215
Energy: 0.656016979347378
Energy: 0.4121366889239142
Energy: 0.4082945258488
Energy: 0.4157469923382178
Energy: 0.4118274603445565
Energy: 0.40880005266771957
Energy: 0.6967001586851231
Energy: 0.41733439380198584
Energy: 0.4298839477521662
Energy: 0.4557636060868956
Energy: 0.41560703604493304
Energy: 0.46065643562816383
Energy: 0.7128799368502772
Energy: 0.4507752644511765
Energy: 0.4123994768436811
Energy: 0.4507007944305031
Energy: 0.4503798384302815
Energy: 0.4310280891888448
Energy: 0.5031581987497344
Energy: 0.45604409790604467
Energy: 0.4422179471853581
Energy: 0.4055521615177987
Energy: 0.4559399371386313
Energy: 0.4418171346308798

minimum gb energy = 0.38395090773518287 eV
minimum distance =  2.69948983510357 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.4209349709886249
Energy: 0.4420606744247669
Energy: 0.40472519386060607
Energy: 0.34663286500294566
Energy: 0.4406992405874497
Energy: 0.388758125808794
Energy: 0.5912472584857603
Energy: 0.32808164411965823
Energy: 0.32867491749325267
Energy: 0.35201533031699445
Energy: 0.32814940290588135
Energy: 0.32924321630133424
Energy: 0.5940147778161993
Energy: 0.33259086981043134
Energy: 0.33782344628886884
Energy: 0.3527571150417912
Energy: 0.33230357183673775
Energy: 0.3376577271433708
Energy: 0.520433996071504
Energy: 0.3383714077260099
Energy: 0.3378298090215717
Energy: 0.34988723887256684
Energy: 0.40770824681148227
Energy: 0.34190084745238225
Energy: 0.46593033325327976
Energy: 0.3289394062645694
Energy: 0.3299410713077399
Energy: 0.3340560995677861
Energy: 0.3287327151203916
Energy: 0.3291455483376229
Energy: 0.4101845341682783
Energy: 0.33041021938693527
Energy: 0.3289112452653823
Energy: 0.3669414044340324
Energy: 0.3306543339248013
Energy: 0.3260480599076901
Energy: 0.5176758599886037
Energy: 0.32975405859790236
Energy: 0.34587255576709447
Energy: 0.3215502157883012
Energy: 0.3304162607886611
Energy: 0.32135902737247474
Energy: 0.5530851876934625
Energy: 0.3191113015859013
Energy: 0.31878410530265366
Energy: 0.34857291431425885
Energy: 0.32004530960615085
Energy: 0.34773212447467017
Energy: 0.4402650097952883
Energy: 0.36066172751716064
Energy: 0.3217302259593508
Energy: 0.3618108972354623
Energy: 0.326412902814318
Energy: 0.3623689092856268
Energy: 0.4419126664411701
Energy: 0.31503946611103906
Energy: 0.3151076265031102
Energy: 0.3211033577939428
Energy: 0.3154336906796021
Energy: 0.31512698008232837
Energy: 0.40711831089837996
Energy: 0.3399539194442178
Energy: 0.3136554593498243
Energy: 0.3162954326125784
Energy: 0.3418265702057134
Energy: 0.3140358203446528
Energy: 0.4409512686462974
Energy: 0.3557053309996104
Energy: 0.31423641676683634
Energy: 0.31721322403803615
Energy: 0.3949531352503161
Energy: 0.3164926744259018
Energy: 0.4406083086549614
Energy: 0.35776431002259895
Energy: 0.3569191232436716
Energy: 0.3182063535334397
Energy: 0.35452691334379516
Energy: 0.35775151379457415
Energy: 0.4131575277057812
Energy: 0.3501681210309947
Energy: 0.3833062539315139
Energy: 0.38489628646377216
Energy: 0.35227998570471847
Energy: 0.3866925684381648
Energy: 0.412983268445871
Energy: 0.3148291450906412
Energy: 0.3150164645775117
Energy: 0.38406366600791425
Energy: 0.3147183573404743
Energy: 0.3121706092176737
Energy: 0.4102364128606385
Energy: 0.37398543904105547
Energy: 0.31069367867476666
Energy: 0.3117375739719808
Energy: 0.3895845046609732
Energy: 0.31068078855665415
Energy: 0.4156023188021525
Energy: 0.3898106924604378
Energy: 0.33693011076715135
Energy: 0.3133671525443618
Energy: 0.38018462359694005
Energy: 0.3131130742425755
Energy: 0.4089778599561598
Energy: 0.3540365173934364
Energy: 0.3163199912396753
Energy: 0.33619536652625615
Energy: 0.3507548810263208
Energy: 0.3163491436065198
Energy: 0.4086025198965702
Energy: 0.34945171764176514
Energy: 0.3789154508848591
Energy: 0.38053850821488516
Energy: 0.34890922645376254
Energy: 0.3816966568460344
Energy: 0.4086146613898212
Energy: 0.3519696898322873
Energy: 0.31929232105512473
Energy: 0.3181891540787287
Energy: 0.3521736744788283
Energy: 0.319430474567514
Energy: 0.4251982248276523
Energy: 0.3354200046542144
Energy: 0.31772567318917405
Energy: 0.3162065385087825
Energy: 0.386413104995074
Energy: 0.3183629450689892
Energy: 0.40941665474485867
Energy: 0.35964726863631435
Energy: 0.31066126532114513
Energy: 0.312456470287279
Energy: 0.3898221937255712
Energy: 0.31094669442646533
Energy: 0.42537121759454727
Energy: 0.31144940357176604
Energy: 0.3124270019696432
Energy: 0.39383337218292525
Energy: 0.3114060978255703
Energy: 0.31517463839390275
Energy: 0.4232949925776284
Energy: 0.35537774578578946
Energy: 0.39349318718283016
Energy: 0.39439511858771104
Energy: 0.31914398178486986
Energy: 0.396715329115928
Energy: 0.46341658593032864
Energy: 0.3593036439667054
Energy: 0.3657412335437826
Energy: 0.31643281572973575
Energy: 0.3594890872164315
Energy: 0.36581206315427534
Energy: 0.4640243256628664
Energy: 0.3213448492511376
Energy: 0.32073093743721226
Energy: 0.31486121719165017
Energy: 0.3624267107181212
Energy: 0.31430736236337004
Energy: 0.4087666945165472
Energy: 0.3194056728774875
Energy: 0.31969905701802775
Energy: 0.320525123525746
Energy: 0.3221182856538594
Energy: 0.31949494936160666
Energy: 0.45357245651099404
Energy: 0.3201242122498129
Energy: 0.32012998095701534
Energy: 0.3446895515257464
Energy: 0.31982933921936807
Energy: 0.32091562488450465
Energy: 0.4639489734231614
Energy: 0.3681308278305164
Energy: 0.32933892128602404
Energy: 0.3291945579241894
Energy: 0.3306317071917406
Energy: 0.329454986805756
Energy: 0.5632371746146888
Energy: 0.3254486376293735
Energy: 0.32819746347542383
Energy: 0.32904615650296537
Energy: 0.3263287542596523
Energy: 0.35419534939768443
Energy: 0.5617735433197907
Energy: 0.3305655360799935
Energy: 0.3354077340946911
Energy: 0.3288242820126018
Energy: 0.3302946547910464
Energy: 0.33067937916705153
Energy: 0.4150079654806485
Energy: 0.3521124553076217
Energy: 0.34122177069479775
Energy: 0.3755441988063687
Energy: 0.35294126425246414
Energy: 0.3657583326565664
Energy: 0.47540310168484934
Energy: 0.3522068932093358
Energy: 0.3522874757971268
Energy: 0.3426667490215917
Energy: 0.35214292839600464
Energy: 0.3506669998499528
Energy: 0.563809927391613
Energy: 0.35113619944206925
Energy: 0.35130812144984097
Energy: 0.32913784294043247
Energy: 0.4201538332734217
Energy: 0.36582514305055397
Energy: 0.5934205453314723
Energy: 0.34309446966451934
Energy: 0.35140766215560115
Energy: 0.37846030165775685
Energy: 0.3813093308211827
Energy: 0.35129688761156397
Energy: 0.5912693508283374
Energy: 0.35234092910990034
Energy: 0.3523795034692457
Energy: 0.352074336720037
Energy: 0.3522152284344403
Energy: 0.3295969369237253

minimum gb energy = 0.31066126532114513 eV
minimum distance =  2.71641918712499 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.006175276010860564
Energy: 0.006731808092432502
Energy: 0.006585726108024426
Energy: 0.00798921012690637
Energy: 0.007677812841337021
Energy: 0.006771347410477185
Energy: 0.03306723858693705
Energy: 0.006849698383468661
Energy: 0.0067889291050344126
Energy: 0.03233647686696536
Energy: 0.008162512413834123
Energy: 0.006686425499105536
Energy: 0.031854004583777656
Energy: 0.006678872273760201
Energy: 0.006581295774962058
Energy: 0.03179681188165509
Energy: 0.006779912499010195
Energy: 0.03223752838285976
Energy: 0.008831176376377741
Energy: 0.006820888390821128
Energy: 0.006857767409942731
Energy: 0.007029912566576375
Energy: 0.00693386555074091
Energy: 0.03251913924421246
Energy: 0.0321728671507686
Energy: 0.031924714071313545
Energy: 0.03220356484417465
Energy: 0.03281396501922535
Energy: 0.03176054841494279
Energy: 0.03236436312880798
Energy: 0.007081966068851127
Energy: 0.006814047320467041
Energy: 0.0066785213397149625
Energy: 0.008063728954251732
Energy: 0.006777111201243513
Energy: 0.006840111397767723
Energy: 0.032288427994779774
Energy: 0.0068203397161942
Energy: 0.006850174141303912
Energy: 0.0321121132148081
Energy: 0.006844596151364522
Energy: 0.006909841660753676
Energy: 0.03192075680363939
Energy: 0.006635987188940411
Energy: 0.0069633928040043775
Energy: 0.03204930932354524
Energy: 0.006548725060755628
Energy: 0.03352981911426962
Energy: 0.007603033348022718
Energy: 0.006662773699892114
Energy: 0.03371131081061587
Energy: 0.008602371215983022
Energy: 0.006706147744433773
Energy: 0.033530845897759246
Energy: 0.007020590340436319
Energy: 0.03174658430053716
Energy: 0.031756528746930156
Energy: 0.006915146395524581
Energy: 0.031810158310763316
Energy: 0.03163625105992841

minimum gb energy = 0.006175276010860564 eV
minimum distance =  2.84638431656802 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.39492634987616515
Energy: 0.39456627631722424
Energy: 0.39811604722839516
Energy: 0.3639077461553094
Energy: 0.3946678756653034
Energy: 0.3672101038883122
Energy: 0.42388861744459666
Energy: 0.40001889499213344
Energy: 0.39886341301475303
Energy: 0.40096775262758155
Energy: 0.40615381679100004
Energy: 0.39841525858413523
Energy: 0.4236579899216365
Energy: 0.3761493624391726
Energy: 0.37662089132419685
Energy: 0.4043588317456084
Energy: 0.37710542939917
Energy: 0.39027667632126534
Energy: 0.4664071176940147
Energy: 0.3768903693612816
Energy: 0.37712655928655886
Energy: 0.4545046059120465
Energy: 0.3778807858506856
Energy: 0.39089922300128493
Energy: 0.38757022796441276
Energy: 0.40422919822450165
Energy: 0.39953596751779236
Energy: 0.3878345594636501
Energy: 0.40582965952524364
Energy: 0.39844076656265515
Energy: 0.38201974255153104
Energy: 0.4006840560729552
Energy: 0.3877970494758873
Energy: 0.35326406095816565
Energy: 0.4011359156658961
Energy: 0.3703489978506522
Energy: 0.4137359632779757
Energy: 0.40525544457412316
Energy: 0.4032484453150592
Energy: 0.404250227769179
Energy: 0.4066721217968439
Energy: 0.40041685013378564
Energy: 0.41141027590202595
Energy: 0.37999926556492797
Energy: 0.380243867658522
Energy: 0.40379227430018844
Energy: 0.36275221329060037
Energy: 0.3808279396842352
Energy: 0.4091807355719224
Energy: 0.3813701425584285
Energy: 0.3936126179452878
Energy: 0.4046425151236547
Energy: 0.39345696333366414
Energy: 0.40195254661870045
Energy: 0.40272594213670626
Energy: 0.3920083219608875
Energy: 0.3869860393959661
Energy: 0.40254960030056464
Energy: 0.3941642178647772
Energy: 0.3903645428030036
Energy: 0.3890016555992067
Energy: 0.3874730061154953
Energy: 0.38783089053862996
Energy: 0.3504136307821223
Energy: 0.3966746240480885
Energy: 0.3712704568248177
Energy: 0.37044382486519445
Energy: 0.3944312491645086
Energy: 0.3953650365536308
Energy: 0.3702657421761535
Energy: 0.39427704652627343
Energy: 0.3695278409162044
Energy: 0.3689123070535178
Energy: 0.36483010156817536
Energy: 0.37794397606952496
Energy: 0.3690489700078368
Energy: 0.3431928601726184
Energy: 0.37866654594890337
Energy: 0.3907136130957694
Energy: 0.3795555615669804
Energy: 0.3787257140422328
Energy: 0.37319531686401103
Energy: 0.3631375063902045
Energy: 0.38178028870443403
Energy: 0.3894346404688199
Energy: 0.3534408483800472
Energy: 0.35358067428210394
Energy: 0.3893523883770177
Energy: 0.359804632804848
Energy: 0.3539177715877341
Energy: 0.38861345362767846
Energy: 0.37009504677589766
Energy: 0.37391796824893897
Energy: 0.37101588997170565
Energy: 0.3879161642753944
Energy: 0.3745469855371632
Energy: 0.3466594643977528
Energy: 0.3746559938672391
Energy: 0.37358989153172256
Energy: 0.3466223330919137
Energy: 0.3704382805028031
Energy: 0.34669875906586245
Energy: 0.3466065626745684
Energy: 0.3683999863250343
Energy: 0.36862145519095163
Energy: 0.3465420870663968
Energy: 0.34849472534334275
Energy: 0.3689846912400443
Energy: 0.3845853138539062
Energy: 0.38581447710942113
Energy: 0.3683099924703214
Energy: 0.3502033738635779
Energy: 0.38798021087356016
Energy: 0.36844947151116014
Energy: 0.3892631287734925
Energy: 0.34650940167342487
Energy: 0.34624440453815597
Energy: 0.38980288789357187
Energy: 0.3522381141661713
Energy: 0.3464011814307029
Energy: 0.3886442429437064
Energy: 0.3699126864177543
Energy: 0.37440956739576503
Energy: 0.38769638216347313
Energy: 0.37155343305553556
Energy: 0.37308289324387606
Energy: 0.35507635350918415
Energy: 0.36993546466401483
Energy: 0.37447934039632186
Energy: 0.3545937520033867
Energy: 0.3713434400567642
Energy: 0.354378278897929
Energy: 0.3548220256799315
Energy: 0.38046207074176563
Energy: 0.38051294482665177
Energy: 0.3549436752820299
Energy: 0.3799521617070978
Energy: 0.37976487518082347
Energy: 0.38969765192064953
Energy: 0.37569990269243614
Energy: 0.3783508999694044
Energy: 0.3485237632539613
Energy: 0.373789298110036
Energy: 0.37108118601993656
Energy: 0.4019668443521435
Energy: 0.36842466991221157
Energy: 0.36821065142596393
Energy: 0.4025575238718581
Energy: 0.3694480860224082
Energy: 0.3739762162144132
Energy: 0.40029517089280603
Energy: 0.3789991985110086
Energy: 0.3794328495171323
Energy: 0.40084819557987794
Energy: 0.3633263083208792
Energy: 0.3885911376068303
Energy: 0.3933572698498006
Energy: 0.3791855329850582
Energy: 0.3795604006746471
Energy: 0.39391482022786417
Energy: 0.39943306888992675
Energy: 0.3903592994742037
Energy: 0.37434592805180983
Energy: 0.4016343732212016
Energy: 0.40167820985884073
Energy: 0.37430273981415274
Energy: 0.4015312541019819
Energy: 0.4013737434802105
Energy: 0.38797713370345405
Energy: 0.4000352660928747
Energy: 0.39147721748239606
Energy: 0.35490237771954136
Energy: 0.4008306142310104
Energy: 0.3721760965366943
Energy: 0.4001762911220281
Energy: 0.40156506645263557
Energy: 0.4000543220914217
Energy: 0.39872936401605713
Energy: 0.4002971730305518
Energy: 0.40094382747628404
Energy: 0.4020247612792594
Energy: 0.38008896854365243
Energy: 0.3802428802065285
Energy: 0.40176037901808964
Energy: 0.36142380550890707
Energy: 0.38015090738929413
Energy: 0.42349342339521323
Energy: 0.3816480246935465
Energy: 0.3983502301937375
Energy: 0.40036849170432964
Energy: 0.3881576369512358
Energy: 0.39926057709208934
Energy: 0.3802083289628649
Energy: 0.40181583148973643
Energy: 0.4007756348162797
Energy: 0.38077568660102606
Energy: 0.4020089407276887
Energy: 0.39398386537794394

minimum gb energy = 0.3431928601726184 eV
minimum distance =  2.62611979467534 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.49670633297130223
Energy: 0.4844986348375109
Energy: 0.49034314905938065
Energy: 0.4679658648156956
Energy: 0.4848056577377678
Energy: 0.4902512047187164
Energy: 0.5248065831375328
Energy: 0.491814193563439
Energy: 0.4922374489321801
Energy: 0.4885745665879381
Energy: 0.4912191694128349
Energy: 0.48105769776707713
Energy: 0.5335288793267744
Energy: 0.4689531940816857
Energy: 0.47255035548523366
Energy: 0.4868058421706595
Energy: 0.4690975982044976
Energy: 0.47329222159510265
Energy: 0.5001245819136366
Energy: 0.47323505361731283
Energy: 0.47316386463506294
Energy: 0.4888369604923945
Energy: 0.4722955849266475
Energy: 0.47397435391038706
Energy: 0.4994644760622516
Energy: 0.48990124582502714
Energy: 0.491607219522283
Energy: 0.48676672846618085
Energy: 0.4898885695229225
Energy: 0.4824605776007091
Energy: 0.47133014880833185
Energy: 0.48041391025287095
Energy: 0.47463924054147194
Energy: 0.47423804332247244
Energy: 0.4802616110452899
Energy: 0.47448851359935107
Energy: 0.5045309801759232
Energy: 0.4907756538791208
Energy: 0.492220974848916
Energy: 0.48544697908485046
Energy: 0.4905653446221704
Energy: 0.4842966802575334
Energy: 0.5020227855209672
Energy: 0.4728203911885275
Energy: 0.47752420685390307
Energy: 0.4875082413373076
Energy: 0.4682152054600545
Energy: 0.48324463948061186
Energy: 0.4923970829746273
Energy: 0.48299304413391403
Energy: 0.49053164262306764
Energy: 0.48935754880828747
Energy: 0.4898950790088606
Energy: 0.48922134003102297
Energy: 0.4918605454441633
Energy: 0.48047860659442215
Energy: 0.48371075660817964
Energy: 0.49179438163201356
Energy: 0.4843743567592703
Energy: 0.48534348534256516
Energy: 0.4846447675936444
Energy: 0.48113571824613705
Energy: 0.4813220958280785
Energy: 0.4717106072913555
Energy: 0.48746808426923305
Energy: 0.48187889227338393
Energy: 0.4754544485491647
Energy: 0.481818311369664
Energy: 0.48167321814848624
Energy: 0.46843469728922493
Energy: 0.48086066387741305
Energy: 0.4727845890929312
Energy: 0.46819934331393437
Energy: 0.48305116454599156
Energy: 0.47803539437076503
Energy: 0.468246379538245
Energy: 0.4724158770918883
Energy: 0.4717879739079698
Energy: 0.4844302515002179
Energy: 0.478302380362123
Energy: 0.4776950061973014
Energy: 0.4710477424751218
Energy: 0.48843788911786384
Energy: 0.4775503904813526
Energy: 0.4874156288161371
Energy: 0.47492916907538313
Energy: 0.4780235543386093
Energy: 0.4874900908286566
Energy: 0.4725964924380131
Energy: 0.4726702652947742
Energy: 0.48830935101475303
Energy: 0.4826626183134012
Energy: 0.481237919088637
Energy: 0.4814059392099269
Energy: 0.4917724647416531
Energy: 0.48048030042763773
Energy: 0.48219929560124686
Energy: 0.4752809222735354
Energy: 0.47550262606789956
Energy: 0.4785066957015309
Energy: 0.4669244429739719
Energy: 0.4810664110282455
Energy: 0.48297822895703896
Energy: 0.4898317017479205
Energy: 0.49051290500813494
Energy: 0.47965130231054287
Energy: 0.48998385991791527
Energy: 0.4861537453921384
Energy: 0.474840502806568
Energy: 0.48504516166400535
Energy: 0.47754554359350093
Energy: 0.4728228885183804
Energy: 0.4867312311780229
Energy: 0.4775151328090504
Energy: 0.48819405887392003
Energy: 0.4885925660108342
Energy: 0.490337712434267
Energy: 0.4884994285803256
Energy: 0.4933945829743761
Energy: 0.49128181629096923
Energy: 0.48769953667590477
Energy: 0.48091397332749397
Energy: 0.48090424463521353
Energy: 0.4876265764462387
Energy: 0.4730044341044571
Energy: 0.48945745822124453
Energy: 0.5340725081662098
Energy: 0.4715945309920743
Energy: 0.47971630944288396
Energy: 0.48764199219613663
Energy: 0.47156122432685516
Energy: 0.4900387166615455
Energy: 0.5110863813437285
Energy: 0.49233497895651074
Energy: 0.4937278935890113
Energy: 0.4807178933022026
Energy: 0.49113000505767446
Energy: 0.4867154171491921

minimum gb energy = 0.4669244429739719 eV
minimum distance =  2.63520384722163 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.5867668406319617
Energy: 0.584037795159141
Energy: 0.5770715187031034
Energy: 0.5524396124199376
Energy: 0.5840126072325862
Energy: 0.5728801621488189
Energy: 0.605456551077857
Energy: 0.577083582934683
Energy: 0.5730260777926357
Energy: 0.5640089779391599
Energy: 0.5784686105978609
Energy: 0.5727680448577035
Energy: 0.633123873497463
Energy: 0.5591649036974969
Energy: 0.5586310905885239
Energy: 0.5742754399122978
Energy: 0.5594087868768828
Energy: 0.5581492169786371
Energy: 0.5972784687299918
Energy: 0.5598976767433412
Energy: 0.558471867239002
Energy: 0.5738076045163483
Energy: 0.5593111557052589
Energy: 0.5585075264096484
Energy: 0.5666902557014903
Energy: 0.5782026450912228
Energy: 0.5730000352042269
Energy: 0.55991261134308
Energy: 0.5772008844409023
Energy: 0.5725406448987952
Energy: 0.5546121849604273
Energy: 0.5709333304078298
Energy: 0.5725299779008738
Energy: 0.5586494907709455
Energy: 0.5692210727033211
Energy: 0.5579078127424161
Energy: 0.5994961471121483
Energy: 0.5738586057697946
Energy: 0.5747230604145247
Energy: 0.5695288331937142
Energy: 0.5795847840785912
Energy: 0.5701258553092547
Energy: 0.5982240129923577
Energy: 0.5657610660284937
Energy: 0.5658776268049952
Energy: 0.5719666092093821
Energy: 0.5685848206716921
Energy: 0.5703909559247407
Energy: 0.5733266049027069
Energy: 0.5704965537837381
Energy: 0.5732016479940484
Energy: 0.5718067881988597
Energy: 0.572375771931013
Energy: 0.571516815563547
Energy: 0.5739812381593546
Energy: 0.5677163432481828
Energy: 0.5676083823147035
Energy: 0.5749720926904066
Energy: 0.5695221662688753
Energy: 0.5690608193890891
Energy: 0.5706885023372613
Energy: 0.5665988045199017
Energy: 0.5650902350642136
Energy: 0.5698581860951059
Energy: 0.5739462163538916
Energy: 0.5654090692328021
Energy: 0.5763716431903245
Energy: 0.5686920220723957
Energy: 0.5650187633899968
Energy: 0.5708747126513395
Energy: 0.5589510326188702
Energy: 0.5652561798327602
Energy: 0.5749124039113961
Energy: 0.5714518953426019
Energy: 0.5651428761334484
Energy: 0.5700949273663646
Energy: 0.5718266470640825
Energy: 0.5663780061517462
Energy: 0.562815399515664
Energy: 0.5711275554979535
Energy: 0.5705390162561408
Energy: 0.5657949486058513
Energy: 0.5727682695372506
Energy: 0.5563743596180742
Energy: 0.5718040756185002
Energy: 0.5719064313132314
Energy: 0.5717815792114882
Energy: 0.5729682150153225
Energy: 0.5752163121068505
Energy: 0.5732270567626888
Energy: 0.5791570040326098
Energy: 0.5677055818546022
Energy: 0.5677081890082689
Energy: 0.5808032164060521
Energy: 0.5619079163246075
Energy: 0.5788414999919067
Energy: 0.6340329364807646
Energy: 0.5582642644063867
Energy: 0.5588633534245695
Energy: 0.5716696658385316
Energy: 0.5616946627445939
Energy: 0.5667578437447072
Energy: 0.6396890597455529
Energy: 0.5832085790082192
Energy: 0.5790079322748135
Energy: 0.5750770923506021
Energy: 0.5808576017638787
Energy: 0.588292328164505
Energy: 0.541103294252136
Energy: 0.5724393476758507
Energy: 0.55849106924125
Energy: 0.5495998352915565
Energy: 0.572767990294115
Energy: 0.55256599153404
Energy: 0.5840335940466943
Energy: 0.5784665439398182
Energy: 0.573375938436008
Energy: 0.559183297017458
Energy: 0.5761011701027164
Energy: 0.5722591750931902
Energy: 0.6382729160810506
Energy: 0.5625991784730288
Energy: 0.557926599294099
Energy: 0.5740096857906717
Energy: 0.5582614541050095
Energy: 0.5578751109806691
Energy: 0.5905851743486132
Energy: 0.5591875599157815
Energy: 0.559040146886041
Energy: 0.5738376102517797
Energy: 0.5595869306734473
Energy: 0.5583454558657521
Energy: 0.5649301542082961
Energy: 0.5799922522839369
Energy: 0.5735670166380619
Energy: 0.5664125712862103
Energy: 0.5788613870307838
Energy: 0.5728383124241573
Energy: 0.5527438527541594
Energy: 0.5703547754529182
Energy: 0.5719339910143116
Energy: 0.5581798594333452
Energy: 0.5693675010004089
Energy: 0.5579723788987282
Energy: 0.5996298781327862
Energy: 0.5765660298950853
Energy: 0.5752766341139651
Energy: 0.570465241925066
Energy: 0.5763415268239177
Energy: 0.5816226239142678
Energy: 0.5986269891785305
Energy: 0.5658065100218442
Energy: 0.5702600663199149
Energy: 0.5713507249996775
Energy: 0.56828421875111
Energy: 0.5711777587952507
Energy: 0.5724364124367609
Energy: 0.5701385190211014
Energy: 0.5729324741846399
Energy: 0.5749668265051109
Energy: 0.5689110535945369
Energy: 0.5713422631822475
Energy: 0.5738148520775374
Energy: 0.5685765770080824
Energy: 0.5683637560356046
Energy: 0.575190372435843
Energy: 0.5700808180784819
Energy: 0.5697368797715378
Energy: 0.5702313048773323
Energy: 0.5735235620831234
Energy: 0.5652219515729303
Energy: 0.5682621601251647
Energy: 0.5748023288380093
Energy: 0.5647992426028038
Energy: 0.5765493719334746
Energy: 0.5680661849011582
Energy: 0.5657394715118048
Energy: 0.5691838791154659
Energy: 0.5595530949157319
Energy: 0.5651764682580771
Energy: 0.5756837031963514
Energy: 0.5719452220426428
Energy: 0.566892766335655
Energy: 0.5698897310345094
Energy: 0.5725610798430617
Energy: 0.5673706254446986
Energy: 0.5636354985248183
Energy: 0.5705744830454522
Energy: 0.5703993778035987
Energy: 0.5649036063154816
Energy: 0.5731289016027621
Energy: 0.5624733634739678
Energy: 0.5723074925960656
Energy: 0.5713913196566293
Energy: 0.5711847433930661
Energy: 0.5721569236133307
Energy: 0.5746639337123193
Energy: 0.5725819749282857
Energy: 0.5785113812285094
Energy: 0.5681249835573161
Energy: 0.577909496329587
Energy: 0.5792470796088232
Energy: 0.562090293978895
Energy: 0.5783527697671296
Energy: 0.633834154203886
Energy: 0.5581280591997506
Energy: 0.561315457715962
Energy: 0.5713425209526697
Energy: 0.5570674796473158
Energy: 0.5678501397625122
Energy: 0.6393637350013679
Energy: 0.5805109051371405
Energy: 0.6016452997166545
Energy: 0.5765495853752637
Energy: 0.5819118324663449
Energy: 0.579871410250134
Energy: 0.5414063606748252
Energy: 0.5723016524724109
Energy: 0.5595590325223072
Energy: 0.5529730855344178
Energy: 0.5723037238641129
Energy: 0.5525797639302482

minimum gb energy = 0.541103294252136 eV
minimum distance =  2.68693839165181 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.712530319839067
Energy: 0.7091480670570474
Energy: 0.7059300475053852
Energy: 0.6903785826304095
Energy: 0.7450773131492536
Energy: 0.7028423574167378
Energy: 0.7763037623851048
Energy: 0.7094919526603245
Energy: 0.7111246192013114
Energy: 0.7111210548589064
Energy: 0.7083090325652066
Energy: 0.7025847649078744
Energy: 0.7754645356521389
Energy: 0.6900676705100144
Energy: 0.6884885438272729
Energy: 0.7077569289501151
Energy: 0.6916647942762741
Energy: 0.6901264560507647
Energy: 0.7063980549298011
Energy: 0.6897849456996058
Energy: 0.6886639555399041
Energy: 0.7065462363129934
Energy: 0.6903141611665295
Energy: 0.7102068649303611
Energy: 0.7095162685653509
Energy: 0.7071712294583369
Energy: 0.709870256846111
Energy: 0.7106101704751023
Energy: 0.7074640400703802
Energy: 0.7014729957987773
Energy: 0.6925582506001976
Energy: 0.7020571886270889
Energy: 0.700448636306084
Energy: 0.689155707819537
Energy: 0.7068656125399404
Energy: 0.7012010137163979
Energy: 0.7542547943530259
Energy: 0.7139299558634634
Energy: 0.7104851803687833
Energy: 0.7023590837668424
Energy: 0.713394273090858
Energy: 0.6983636968325516
Energy: 0.7536838980874674
Energy: 0.7018442464411885
Energy: 0.7009809406431241
Energy: 0.702415471627129
Energy: 0.7008260325731259
Energy: 0.701374313747725
Energy: 0.6979417850069604
Energy: 0.7010213398650789
Energy: 0.6987571422702822
Energy: 0.6961877208412658
Energy: 0.70261434858508
Energy: 0.6985284124258748
Energy: 0.7058510032121267
Energy: 0.7014944842361022
Energy: 0.6992712821455059
Energy: 0.7040946033055857
Energy: 0.705206180912941
Energy: 0.699007552253606
Energy: 0.7068283646288981
Energy: 0.7111263341036175
Energy: 0.7190827744213388
Energy: 0.7064913090075484
Energy: 0.7056551287349212
Energy: 0.7005265922962588
Energy: 0.8044899099504519
Energy: 0.6948919328332351
Energy: 0.6966517266367005
Energy: 0.7088147833739283
Energy: 0.6956312696809305
Energy: 0.6954499127208591
Energy: 0.8062727378595989
Energy: 0.7126085002680234
Energy: 0.711127775446477
Energy: 0.7099935529583109
Energy: 0.7112510275480515
Energy: 0.7004739603950895
Energy: 0.6827308520071973
Energy: 0.7100880167497784
Energy: 0.6947500549458581
Energy: 0.6837241809201
Energy: 0.7078706688823728
Energy: 0.6942473342787953

minimum gb energy = 0.6827308520071973 eV
minimum distance =  2.66488722408882 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.8457743509480894
Energy: 0.8428774607865237
Energy: 0.8568381703654208
Energy: 0.811567988969647
Energy: 0.8519538590326333
Energy: 0.866177217623003
Energy: 0.9582094927645359
Energy: 0.811327688602196
Energy: 0.8042435656706158
Energy: 0.8125986193132487
Energy: 0.814534408272487
Energy: 0.8109691382950291
Energy: 0.9660417246529409
Energy: 0.8007903420689317
Energy: 0.8003539869463191
Energy: 0.8143746173373638
Energy: 0.8014488011872065
Energy: 0.8137944607312159
Energy: 0.8319825154751995
Energy: 0.8009312382479647
Energy: 0.8134070503273638
Energy: 0.8141587308263061
Energy: 0.8009923639767822
Energy: 0.8128969927253348
Energy: 0.8286064723801077
Energy: 0.8090657681095436
Energy: 0.8071467244478421
Energy: 0.8115990007768406
Energy: 0.8065472759517002
Energy: 0.8066595049595069
Energy: 0.8310739424197279
Energy: 0.799037089802676
Energy: 0.798939312357316
Energy: 0.8071904419786569
Energy: 0.7999544907569691
Energy: 0.8064241290248054
Energy: 0.8377755682612013
Energy: 0.7991822416422691
Energy: 0.7989654895021313
Energy: 0.7996676242825327
Energy: 0.7961685774312023
Energy: 0.7987188722730711
Energy: 0.9001153612948851
Energy: 0.8062456014208839
Energy: 0.807415273185369
Energy: 0.8066236578474947
Energy: 0.809911979977289
Energy: 0.8072240354419371
Energy: 0.8259240199321676
Energy: 0.8140963255327279
Energy: 0.8140282327410002
Energy: 0.798069317496513
Energy: 0.8139084016561765
Energy: 0.8041793653680308
Energy: 0.8254811168131617
Energy: 0.8144142020960111
Energy: 0.8136229855583605
Energy: 0.7982435466609384
Energy: 0.8140855382276614
Energy: 0.8043314267396068
Energy: 0.8673061951309141
Energy: 0.8123713280922107
Energy: 0.8109228247135166
Energy: 0.8081832415403069
Energy: 0.8118896345983545
Energy: 0.8075649787059673
Energy: 0.8368356662055557
Energy: 0.8059820209768441
Energy: 0.8057397117615804
Energy: 0.8135732487334714
Energy: 0.7924805743154288
Energy: 0.7969082262686698
Energy: 0.8439232959877286
Energy: 0.805397188204437
Energy: 0.8053870172370464
Energy: 0.8070388054599484
Energy: 0.8121395895948793
Energy: 0.8110961013649634
Energy: 0.8304473473534039
Energy: 0.811993164106042
Energy: 0.805793378904864
Energy: 0.8012968321292441
Energy: 0.8134371318055953
Energy: 0.8055014714891116
Energy: 0.8347228013845954
Energy: 0.8063154827592321
Energy: 0.8050708699672209
Energy: 0.8104047370496225
Energy: 0.8054606015799293
Energy: 0.8053280215793763
Energy: 0.8887829914619569
Energy: 0.8058742708825695
Energy: 0.8053125496144558
Energy: 0.8048899311021763
Energy: 0.8045961479674724
Energy: 0.8059546581708472
Energy: 0.8452683015840983
Energy: 0.8051593844802077
Energy: 0.8057300080226063
Energy: 0.8098800219312763
Energy: 0.8048469982221099
Energy: 0.805485401686428
Energy: 0.8270768287798901
Energy: 0.8361168662748477
Energy: 0.820403077161966
Energy: 0.8047083436691967
Energy: 0.8362403549059106
Energy: 0.7927266344078462
Energy: 0.8388427112519369
Energy: 0.805013432577375
Energy: 0.8060615519379836
Energy: 0.8214724128155058
Energy: 0.8051271321039143
Energy: 0.8051581274280477
Energy: 0.8325289373798012
Energy: 0.8003206456102337
Energy: 0.7998543835900845
Energy: 0.8241716037810587
Energy: 0.8008149672849137
Energy: 0.8181571473305042
Energy: 0.9071556130736477
Energy: 0.8000430314448778
Energy: 0.8126787693827336
Energy: 0.8151936760166272
Energy: 0.7999218285608467
Energy: 0.8150493710146041
Energy: 0.8564977810412214
Energy: 0.8159079739080742
Energy: 0.8155848811904551
Energy: 0.8186596369803504
Energy: 0.8161984689033083
Energy: 0.816410064285134
Energy: 0.8320394326501781
Energy: 0.8288611063251456
Energy: 0.803569378639839
Energy: 0.7972319234351325
Energy: 0.8293946987960027
Energy: 0.8034614731252204
Energy: 0.931293031794827
Energy: 0.806263413779215
Energy: 0.8052209948600417
Energy: 0.8050089018329413
Energy: 0.827484582505513
Energy: 0.8052016605841352
Energy: 0.8582930822901778
Energy: 0.8053441371751459
Energy: 0.8047352339483598
Energy: 0.8363822541761107
Energy: 0.8029644696659283
Energy: 0.8022321997067045
Energy: 0.8300694343395227
Energy: 0.8059657163492118
Energy: 0.80629026665773
Energy: 0.8051040377183569
Energy: 0.8052514100566381
Energy: 0.8057534137258415
Energy: 0.8309364911405818
Energy: 0.8051018395594135
Energy: 0.8064624112143305
Energy: 0.8049354003489809
Energy: 0.8046979935766967
Energy: 0.805457378470891
Energy: 0.8291398723076068
Energy: 0.8050021555773599
Energy: 0.8060590864193886
Energy: 0.8054250676939055
Energy: 0.8056804770378734
Energy: 0.8047937555733413
Energy: 0.8364093664798798
Energy: 0.8013402549986285
Energy: 0.8008212254577916
Energy: 0.8154996748617208
Energy: 0.8006431060017734
Energy: 0.8003910926408176
Energy: 0.966798097728841
Energy: 0.82910606740706
Energy: 0.8051982693080506
Energy: 0.8053827421367434
Energy: 0.8065541343454693
Energy: 0.8042707515201127
Energy: 0.8311989579193538
Energy: 0.8325301404674723
Energy: 0.8029705835321497
Energy: 0.7949156963544303
Energy: 0.832667400996492
Energy: 0.801956649059391

minimum gb energy = 0.7924805743154288 eV
minimum distance =  2.63851895470291 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.2427029682518156
Energy: 0.8874714562027742
Energy: 0.8941946053344328
Energy: 0.8975102005413477
Energy: 0.8959046830994188
Energy: 0.8946203140934537
Energy: 0.9766743711602264
Energy: 0.8668849376300091
Energy: 0.867168323585335
Energy: 0.8679659191570704
Energy: 0.8663119779421548
Energy: 0.8669699256105877
Energy: 0.9859475857538776
Energy: 0.8526471462484891
Energy: 0.8520677437114635
Energy: 0.8651071233187843
Energy: 0.853269916824031
Energy: 0.8676261694170169
Energy: 0.9025000181694353
Energy: 0.8659882865528833
Energy: 0.8650941716694561
Energy: 0.865852470858279
Energy: 0.8530477359658228
Energy: 0.8650599716692643
Energy: 0.8871605062187202
Energy: 0.8676985858463093
Energy: 0.8658218813212653
Energy: 0.8671683431137883
Energy: 0.8661924276125094
Energy: 0.8651232713940287
Energy: 0.8989678503794271
Energy: 0.8658950610219655
Energy: 0.8654822738141386
Energy: 0.8665576761968391
Energy: 0.8668869132988143
Energy: 0.8652015199511073
Energy: 0.8892615578455741
Energy: 0.8544187162841671
Energy: 0.8548855427809837
Energy: 0.8677927759792889
Energy: 0.8549328166913569
Energy: 0.8648669299284628
Energy: 0.985113431366523
Energy: 0.8677215287482615
Energy: 0.8672462423792393
Energy: 0.8659285920578552
Energy: 0.8659285831241702
Energy: 0.8669170215345173
Energy: 0.8905252337287741
Energy: 0.8668934406390242
Energy: 0.8561631126074144
Energy: 0.8575714794815018
Energy: 0.8659295096868804
Energy: 0.8566549881619832
Energy: 0.8911450947524718
Energy: 0.8666749780131312
Energy: 0.8563016494979054
Energy: 0.8575136669625828
Energy: 0.8657032318420798
Energy: 0.8567797374796559
Energy: 0.9817344792839161
Energy: 0.8661852633877547
Energy: 0.8665965986509111
Energy: 0.8674361128243233
Energy: 0.8665958309555742
Energy: 0.8648172609855019
Energy: 0.8989225913436888
Energy: 0.8523511206999184
Energy: 0.85186768160594
Energy: 0.8656983401478684
Energy: 0.8532320946940951
Energy: 0.8682576045921283
Energy: 0.8871736198520304
Energy: 0.8682838635620858
Energy: 0.8665403363786724
Energy: 0.866562284529426
Energy: 0.8661081799174901
Energy: 0.8660180891235144
Energy: 0.9010284225882716
Energy: 0.8661041813308459
Energy: 0.8655335370067379
Energy: 0.8662469424755362
Energy: 0.8667006426913838
Energy: 0.8651847720471284
Energy: 0.886311300875429
Energy: 0.854955685059953
Energy: 0.864123350239753
Energy: 0.866386260928161
Energy: 0.8583751457317976
Energy: 0.8642945975260554
Energy: 1.004995595031303
Energy: 0.8557694869409411
Energy: 0.8554233847173688
Energy: 0.866431604869422
Energy: 0.8578784941342699
Energy: 0.8649566058392384
Energy: 0.8903319594258923
Energy: 0.8660870525290306
Energy: 0.8672147119739755
Energy: 0.856633459884195
Energy: 0.8663545942932599
Energy: 0.8673655195461896

minimum gb energy = 0.85186768160594 eV
minimum distance =  2.63040864097512 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.9648846486701479
Energy: 0.9151875714478697
Energy: 0.8957310439531835
Energy: 0.9835449167321153
Energy: 0.9148622149361599
Energy: 0.9141608477782249
Energy: 0.9725650756992572
Energy: 0.8838848996979057
Energy: 0.8839551836244631
Energy: 0.8812135815834159
Energy: 0.8851652428187899
Energy: 0.8882415653360999
Energy: 0.9604112885807196
Energy: 0.913014414588596
Energy: 0.890062037914335
Energy: 0.8899725249486422
Energy: 0.9050405967248795
Energy: 0.8894036731180176
Energy: 0.8863901948810361
Energy: 0.8878909757488231
Energy: 0.8882215007377418
Energy: 0.8927083474788142
Energy: 0.8970325750941596
Energy: 0.8869765229228972
Energy: 0.8862891685180362
Energy: 0.8691335109539866
Energy: 0.8696012903239236
Energy: 0.8800550376742824
Energy: 0.869848085012818
Energy: 0.8723682626940858
Energy: 0.8852257166088233
Energy: 0.8679406006011953
Energy: 0.8672199189142147
Energy: 0.8726958522693552
Energy: 0.8706896364324117
Energy: 0.8674700072656899
Energy: 0.8995574998414105
Energy: 0.919176820012764
Energy: 0.8972245653337029
Energy: 0.8652703022928265
Energy: 0.919370775043637
Energy: 0.8869796610915006
Energy: 0.9756988424608349
Energy: 0.8700346307247591
Energy: 0.8685380766934548
Energy: 0.8681127870188016
Energy: 0.8685708081002521
Energy: 0.8682514426233573
Energy: 0.9517758911068109
Energy: 0.8679392701343478
Energy: 0.8676713843395668
Energy: 0.8986327019873847
Energy: 0.8684913194897368
Energy: 0.8872416690118017
Energy: 0.9501052954643915
Energy: 0.867844951163901
Energy: 0.8680984963865876
Energy: 0.898285848986089
Energy: 0.8690332866615662
Energy: 0.8683453194715085
Energy: 0.9826635149635563
Energy: 0.8787691108673372
Energy: 0.8761204157811194
Energy: 0.8687757862224155
Energy: 0.8693201067261256
Energy: 0.8752294166707784
Energy: 0.9447951075652838
Energy: 0.8896083971176477
Energy: 0.888858276672514
Energy: 0.8853463844033967
Energy: 0.8814039400770494
Energy: 0.889026845067818
Energy: 0.9406509773516554
Energy: 0.8895500998840296
Energy: 0.8895295219684574
Energy: 0.9219928406565223
Energy: 0.8911319422217395
Energy: 0.9089425144426903
Energy: 0.9624121723080825
Energy: 0.8911176073913987
Energy: 0.8900732535930801
Energy: 0.9243634763991034
Energy: 0.8901250251766796
Energy: 0.8865693522012237
Energy: 0.9426808354519122
Energy: 0.8665576313622231
Energy: 0.8664161585540782
Energy: 0.8860679369129475
Energy: 0.867597352030209
Energy: 0.8837688080763896
Energy: 0.9309130224208532
Energy: 0.895653216975062
Energy: 0.8659782670561961
Energy: 0.8777295782183202
Energy: 0.8946343065455139
Energy: 0.8661115308952749
Energy: 0.9217297405685865
Energy: 0.8878936300432078
Energy: 0.8872313075254009
Energy: 0.8993209420097424
Energy: 0.8896392283350414
Energy: 0.8880826839325314
Energy: 0.9181324515724478
Energy: 0.8751009679233204
Energy: 0.875709098191406
Energy: 0.9077016095481232
Energy: 0.876269897129924
Energy: 0.9111658882149779
Energy: 0.9394100161720037
Energy: 0.9151138168070138
Energy: 0.9132758281796973
Energy: 0.905993498667877
Energy: 0.8915948006908365
Energy: 0.9097098366614261
Energy: 0.9347229037287702
Energy: 0.9145722024986257
Energy: 0.9120879113522868
Energy: 0.9138290780347592
Energy: 0.9078731892725684
Energy: 0.9116820723578934
Energy: 0.9456906500360168
Energy: 0.8868535852541216
Energy: 0.8858008860243745
Energy: 0.8696730809129679
Energy: 0.8857715821799965
Energy: 0.8862583381037005

minimum gb energy = 0.8652703022928265 eV
minimum distance =  2.59652901021221 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.970393246816608
Energy: 0.8738971163590389
Energy: 0.8847791641033618
Energy: 0.8845576229318896
Energy: 0.9134968872323647
Energy: 0.8846464489921744
Energy: 0.9303291373191811
Energy: 0.8716282342178013
Energy: 0.8701732351978313
Energy: 0.8781338912166249
Energy: 0.8743868449982698
Energy: 0.8700702086501046
Energy: 0.9289325326161211
Energy: 0.8732524617067728
Energy: 0.8732375343730192
Energy: 0.8748073891853665
Energy: 0.8747747303689338
Energy: 0.8736354256828373
Energy: 0.8954166733235178
Energy: 0.8751158120206467
Energy: 0.8745307743917538
Energy: 0.8738944266772504
Energy: 0.8767760482585577
Energy: 0.8750939653372936
Energy: 0.8715921156144711
Energy: 0.8753128347896653
Energy: 0.8765800440862388
Energy: 0.8720611067387355
Energy: 0.8747064561142145
Energy: 0.8754589018062333
Energy: 0.8828721943272714
Energy: 0.871455713161085
Energy: 0.8695869939221489
Energy: 0.8765246934934738
Energy: 0.8738069866947402
Energy: 0.8690058419238322
Energy: 0.8943856836418461
Energy: 0.8646381794364887
Energy: 0.8644751615928238
Energy: 0.8750346015382214
Energy: 0.8659542828465749
Energy: 0.8652766467957812
Energy: 0.9292935217319356
Energy: 0.8650891134317262
Energy: 0.8730221708354082
Energy: 0.878839821583808
Energy: 0.8691633830567298
Energy: 0.8723571052436093
Energy: 0.9301756462460136
Energy: 0.8750475778444594
Energy: 0.8740175062211126
Energy: 0.872950469183645
Energy: 0.8748887371628071
Energy: 0.8730711256040007
Energy: 0.9300846418391923
Energy: 0.8757692980241946
Energy: 0.8773956786592615
Energy: 0.8700084644533355
Energy: 0.8746485264438367
Energy: 0.8770559235403532
Energy: 0.9302646939174625
Energy: 0.8762097765124703
Energy: 0.8752404407043481
Energy: 0.8801578886138401
Energy: 0.8714102649266606
Energy: 0.8752286820151108
Energy: 0.9296503301857867
Energy: 0.8719967171048882
Energy: 0.8708672180939908
Energy: 0.8787012235965715
Energy: 0.8743665759133437
Energy: 0.8702934967170091
Energy: 0.8750828162517302
Energy: 0.874529392738227
Energy: 0.8649328730295703
Energy: 0.8715978095794459
Energy: 0.8745130247505926
Energy: 0.8641766034707455
Energy: 0.8709438792376588
Energy: 0.8771269579902423
Energy: 0.8756203200745933
Energy: 0.8704339367097246
Energy: 0.8798267252801653
Energy: 0.8638602577714376
Energy: 0.9289483516817384
Energy: 0.8768933230828262
Energy: 0.8772107631111684
Energy: 0.8698157286025695
Energy: 0.8699222603652845
Energy: 0.8776436868415994
Energy: 0.8831298393110114
Energy: 0.872539215862539
Energy: 0.8728917004899893
Energy: 0.8708457998860629
Energy: 0.8732007516177277
Energy: 0.8737307508941428
Energy: 0.8731653985038217
Energy: 0.8735765145217037
Energy: 0.8718637864207965
Energy: 0.8731783459837238
Energy: 0.8763041783458896
Energy: 0.8717102302805889
Energy: 0.8805628593151027
Energy: 0.8765513465065957
Energy: 0.8749737173259249
Energy: 0.8793477166776241
Energy: 0.8787256591643062
Energy: 0.8744501400614307
Energy: 0.8973426216115874
Energy: 0.8670965530054033
Energy: 0.8664068206379957
Energy: 0.8700324491152578
Energy: 0.8689509828805245
Energy: 0.8668391025035281
Energy: 0.9297555105214127
Energy: 0.8668976311497822
Energy: 0.8660962175379366
Energy: 0.8743091063877989
Energy: 0.8689023532393538
Energy: 0.8664987190877025
Energy: 0.9296538208722918
Energy: 0.8769209031408993
Energy: 0.8753286375935581
Energy: 0.879801711067675
Energy: 0.8783682155540466
Energy: 0.8746425585345877
Energy: 0.873797062526763
Energy: 0.8748978797843732
Energy: 0.8738774357713175
Energy: 0.8738848895687199
Energy: 0.8748124700705573
Energy: 0.8736774434956663
Energy: 0.9299212062204865
Energy: 0.8720693049706508
Energy: 0.8700837645666419
Energy: 0.8725800113873247
Energy: 0.8725518767461474
Energy: 0.8695202895336012
Energy: 0.9287812310228111
Energy: 0.8735061578877289
Energy: 0.8735607995773865
Energy: 0.8701675217670009
Energy: 0.8744508942024843
Energy: 0.8952505002835306
Energy: 0.8710059534780413
Energy: 0.8771113951357274
Energy: 0.8756326757601773
Energy: 0.8703963594258785
Energy: 0.8793190898361152
Energy: 0.8639362508135859

minimum gb energy = 0.8638602577714376 eV
minimum distance =  2.60042805011446 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.9243780630829174
Energy: 0.8330723292162107
Energy: 0.8410943629154863
Energy: 0.8471060419977097
Energy: 0.8249882771039768
Energy: 0.8855029337149806
Energy: 0.9447975050300798
Energy: 0.8609471091315417
Energy: 0.8600286325279531
Energy: 0.8552549674937224
Energy: 0.8320862583458718
Energy: 0.860204688781551
Energy: 0.916127400604992
Energy: 0.8551254319397014
Energy: 0.8529974821590662
Energy: 0.8366842158312742
Energy: 0.8611736005840781
Energy: 0.8513494019309787
Energy: 0.8930740787007664
Energy: 0.8589127014850233
Energy: 0.857007954659732
Energy: 0.8590680992009073
Energy: 0.8624531383270967
Energy: 0.856861062036936
Energy: 0.8875173867031885
Energy: 0.8360057251612012
Energy: 0.8443299409815582
Energy: 0.8617169222189256
Energy: 0.8388549590237909
Energy: 0.8465372934381817
Energy: 0.8938208686090708
Energy: 0.8596313578705354
Energy: 0.8582195713667788
Energy: 0.8408281013778305
Energy: 0.8589430691126615
Energy: 0.8582113181878088
Energy: 0.8951300904214623
Energy: 0.8497030275824702
Energy: 0.8451428072467427
Energy: 0.8356823558075783
Energy: 0.8413868889329225
Energy: 0.8477457399225421
Energy: 0.8994176157574275
Energy: 0.8521383817865681
Energy: 0.860545151762284
Energy: 0.8511676134034771
Energy: 0.8499376830742765
Energy: 0.8605773367200967
Energy: 0.8835007720498748
Energy: 0.8499135556087496
Energy: 0.8492957907246802
Energy: 0.8098299090749987
Energy: 0.8596264682607634
Energy: 0.8489019044046399
Energy: 0.8811294243007035
Energy: 0.8525183900496943
Energy: 0.8508810161825487
Energy: 0.8528425938004983
Energy: 0.8519647653392874
Energy: 0.8506016180290925
Energy: 0.8914422963605951
Energy: 0.8354731995006905
Energy: 0.841067545687877
Energy: 0.8492408982463613
Energy: 0.8498290858147965
Energy: 0.8401065278250779
Energy: 0.895021240772683
Energy: 0.8532419657853081
Energy: 0.8515644666607929
Energy: 0.8512702501043675
Energy: 0.8513696311156862
Energy: 0.8514117512926686
Energy: 0.902315660391407
Energy: 0.8232380182147039
Energy: 0.8461664356507546
Energy: 0.8538166108911335
Energy: 0.8236618813865334
Energy: 0.8417419862103241
Energy: 0.9358733812117235
Energy: 0.8515509691466611
Energy: 0.8521717921059703
Energy: 0.8421260804020807
Energy: 0.8047226994844165
Energy: 0.8526163600152574
Energy: 0.8992714522029404
Energy: 0.8332531153715792
Energy: 0.832152046237231
Energy: 0.8515306990706045
Energy: 0.8393677306733227
Energy: 0.831999921941347
Energy: 0.8951208961035348
Energy: 0.8469056507646753
Energy: 0.8447831921100722
Energy: 0.8454153225883171
Energy: 0.8433267209830292
Energy: 0.8443138069894646
Energy: 0.8921801770827866
Energy: 0.8426310631080554
Energy: 0.8471812130096289
Energy: 0.8580237319018316
Energy: 0.8482366045582137
Energy: 0.8549506024008712
Energy: 0.9159020200596673
Energy: 0.8442178111857287
Energy: 0.8455148881263127
Energy: 0.8388566873627374
Energy: 0.8285722712330005
Energy: 0.8461187661160281
Energy: 0.8954883238123634
Energy: 0.8497245529518919
Energy: 0.8499009104063248
Energy: 0.8438512324857372
Energy: 0.854276374272676
Energy: 0.8287164735195071
Energy: 0.8722964287937701
Energy: 0.8497253117768889
Energy: 0.8498480245728448
Energy: 0.8286852205459505
Energy: 0.8541272306115105
Energy: 0.8284082104276039
Energy: 0.8738520614649846
Energy: 0.8456044969534112
Energy: 0.8446732187654924
Energy: 0.8437612441376674
Energy: 0.8452303810084342
Energy: 0.8454393146750347
Energy: 0.8736560822020928
Energy: 0.853837337896119
Energy: 0.852308526001285
Energy: 0.856875781924162
Energy: 0.8519408637596196
Energy: 0.852086510903665
Energy: 0.8768974191231237
Energy: 0.8424837654568742
Energy: 0.8408652283848902
Energy: 0.8041966967652813
Energy: 0.8416301873565784
Energy: 0.8067057228188996
Energy: 0.9038023524378701
Energy: 0.8411876183440998
Energy: 0.844439967027326
Energy: 0.8044331670109204
Energy: 0.8414626923502609
Energy: 0.8430133291032941
Energy: 0.9061544742391449
Energy: 0.852135453096679
Energy: 0.8543069104005069
Energy: 0.8560076409390283
Energy: 0.8520975051531875
Energy: 0.8542995455712591
Energy: 0.8940114416949009
Energy: 0.8502024332308873
Energy: 0.8493145155004632
Energy: 0.8592523565400859
Energy: 0.8487995784084551
Energy: 0.8492443185617826
Energy: 0.904635025948182
Energy: 0.8525178328190677
Energy: 0.8526688131615223
Energy: 0.8516376639690737
Energy: 0.8523559457259845
Energy: 0.852789581820241
Energy: 0.9155949390877062
Energy: 0.863480883453328
Energy: 0.8618710176906786
Energy: 0.8591068802055914
Energy: 0.8611338960785537
Energy: 0.8617422460622453
Energy: 0.9139667343435903
Energy: 0.8230429888020873
Energy: 0.8504461027954981
Energy: 0.8402672844167764
Energy: 0.8231133294905176
Energy: 0.8412760049236134

minimum gb energy = 0.8041966967652813 eV
minimum distance =  2.59895563247633 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.9097182196537882
Energy: 0.8567276026792388
Energy: 0.8013043190042359
Energy: 0.8073864937222961
Energy: 0.8064905266085622
Energy: 0.8068088304760415
Energy: 0.8885359743675368
Energy: 0.8093339144982983
Energy: 0.808674353352405
Energy: 0.8092272631655404
Energy: 0.8050982874294678
Energy: 0.8084323661093173
Energy: 0.8869888820400735
Energy: 0.8079711207914969
Energy: 0.8041494222526885
Energy: 0.8083163361783399
Energy: 0.8076175857092539
Energy: 0.8033278079706939
Energy: 0.8600934853207913
Energy: 0.8076355813358496
Energy: 0.8056240225346508
Energy: 0.8094384232489091
Energy: 0.8108903401365528
Energy: 0.8053140568766531
Energy: 0.8501433369779084
Energy: 0.804883746507709
Energy: 0.8059119339969826
Energy: 0.8061206844221523
Energy: 0.8186225327154107
Energy: 0.8030233199988956
Energy: 0.8594673581658586
Energy: 0.8082932746095814
Energy: 0.8067088891827381
Energy: 0.8063802965041614
Energy: 0.810981858703089
Energy: 0.8065393915793135
Energy: 0.8742538687350452
Energy: 0.8043088672426566
Energy: 0.8016276450721684
Energy: 0.8137867575019581
Energy: 0.8054302613775227
Energy: 0.8007568734989984
Energy: 0.8546932680344277
Energy: 0.8099234516080116
Energy: 0.8093947935427382
Energy: 0.8082464663175161
Energy: 0.808274270213836
Energy: 0.8091150603087426
Energy: 0.8452912842664286
Energy: 0.8071148888894998
Energy: 0.80420210017568
Energy: 0.8075681530976219
Energy: 0.802892687932658
Energy: 0.8040557982442081
Energy: 0.8461890325513387
Energy: 0.8076749922628804
Energy: 0.8059589105592758
Energy: 0.8068044438166793
Energy: 0.8108311190908789
Energy: 0.8055693738495455
Energy: 0.8634722190074107
Energy: 0.7949015540427558
Energy: 0.7946548788696338
Energy: 0.8044766378082702
Energy: 0.8068968836202507
Energy: 0.7973351578496438
Energy: 0.8751504881720252
Energy: 0.8080884773003204
Energy: 0.8065469414155954
Energy: 0.8014767675550997
Energy: 0.8125891554375958
Energy: 0.8065526391765816
Energy: 0.8579799080054819
Energy: 0.8083497910167632
Energy: 0.8079672687383378
Energy: 0.807875961212253
Energy: 0.8094711325540445
Energy: 0.808520890027672
Energy: 0.8562732223084867
Energy: 0.8146608696208976
Energy: 0.8078280510632057
Energy: 0.8106189610679289
Energy: 0.8022114274936287
Energy: 0.8084979900137497
Energy: 0.8758631547734306
Energy: 0.8205356156934728
Energy: 0.7977626286872399
Energy: 0.8079540288063394
Energy: 0.8117943252936987
Energy: 0.806934313536542
Energy: 0.887538872328385
Energy: 0.8076857550655775
Energy: 0.806081531302415
Energy: 0.8084797804930131
Energy: 0.8061687884999512
Energy: 0.8056747243760974
Energy: 0.8568258034180525
Energy: 0.8067056064749913
Energy: 0.8046193085496857
Energy: 0.8045551490835688
Energy: 0.8065721335845066
Energy: 0.80295730888786
Energy: 0.9171560981061452
Energy: 0.8020499344248581
Energy: 0.8093369806430954
Energy: 0.8058795817368023
Energy: 0.8032597079845556
Energy: 0.8052167330384585
Energy: 0.8882511305985279
Energy: 0.8103099689226391
Energy: 0.8091069467436888
Energy: 0.8036641490863342
Energy: 0.8093911863014832
Energy: 0.8091961578200058
Energy: 0.8602607789741379
Energy: 0.8098365162552967
Energy: 0.808150493747454
Energy: 0.805974752266459
Energy: 0.8123037788085559
Energy: 0.807863050781618
Energy: 0.850385589904855
Energy: 0.8025331196379969
Energy: 0.8025123691667823
Energy: 0.8084692615915409
Energy: 0.8032605978672032
Energy: 0.8039014833048495
Energy: 0.8586426000986584
Energy: 0.8081869178543272
Energy: 0.8065785921214261
Energy: 0.8063364358653757
Energy: 0.8112229735974542
Energy: 0.8065547793630027
Energy: 0.8574037845798721
Energy: 0.8024936730785716
Energy: 0.8019969358799287
Energy: 0.8000163215455315
Energy: 0.8031890431206118
Energy: 0.8020500929438147
Energy: 0.8643408155537337
Energy: 0.8045268946017263
Energy: 0.8046288531872181
Energy: 0.7977282654264997
Energy: 0.8044378633362583
Energy: 0.8073621154809123
Energy: 0.8447099037550593
Energy: 0.8092884366978599
Energy: 0.807843505653102
Energy: 0.810099824228536
Energy: 0.8117614917070785
Energy: 0.8075503053888197
Energy: 0.8452849507816427
Energy: 0.8089343913904182
Energy: 0.8073937478791893
Energy: 0.8086117323871201
Energy: 0.8121559720804772
Energy: 0.8071307936006685
Energy: 0.8630852341301513
Energy: 0.80659493431361
Energy: 0.8061204073883208
Energy: 0.8006721830858095
Energy: 0.8067634663073255
Energy: 0.8075518699637685
Energy: 0.8741993626952294
Energy: 0.8079403469665992
Energy: 0.8069284878833048
Energy: 0.8083800229013284
Energy: 0.8061265750002967
Energy: 0.8093894003217456
Energy: 0.8582706437620722
Energy: 0.8021569871422557
Energy: 0.8010509536404337
Energy: 0.8050322968382533
Energy: 0.800176683643729
Energy: 0.80671676789882
Energy: 0.8596959583115014
Energy: 0.8022032379191454
Energy: 0.8064181531378393
Energy: 0.8064489735435639
Energy: 0.8031461526691924
Energy: 0.805820209973954
Energy: 0.8738355770579336
Energy: 0.8090458397393803
Energy: 0.8075598209877745
Energy: 0.8072822413780968
Energy: 0.8099038508414943
Energy: 0.807616686853308
Energy: 0.8877080210741629
Energy: 0.8089613107951135
Energy: 0.8075138690627998
Energy: 0.8130773281898183
Energy: 0.8104946373046226
Energy: 0.8069518211694628
Energy: 0.857144662267392
Energy: 0.8054721305218668
Energy: 0.8110977131144887
Energy: 0.8034468829806936
Energy: 0.8051867979546994
Energy: 0.7976569888911769

minimum gb energy = 0.7946548788696338 eV
minimum distance =  2.61402766327546 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.009336322321225079
Energy: 1.162395442594299
Energy: 0.009814411940800504
Energy: 0.010648433707080364
Energy: 1.169149676680863
Energy: 0.009746340356526906
Energy: 0.3483129593710048
Energy: 0.09363593094592175
Energy: 0.09244200039297323
Energy: 0.09364134985662227
Energy: 0.09291992292099685
Energy: 0.09242664609858162
Energy: 1.4438149713308173
Energy: 1.165972929602107
Energy: 1.1660462697961265
Energy: 1.1705686908478086
Energy: 1.167892421905795
Energy: 1.1654022825086934
Energy: 0.34831295937168805
Energy: 0.09363593094523846
Energy: 0.09244200039262183
Energy: 0.09364134985629037
Energy: 0.09291992292134826
Energy: 0.09242664609823019

minimum gb energy = 0.009336322321225079 eV
minimum distance =  2.83158452832277 Angstroms
sigma value = 1