Model name: model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000158548355
cohesive_energy=3.5402784227038655
mass=63.546
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=[1.4407989947169838e-19, 2.1537259402544999e-19, 2.6952936860791796e-19, 3.13412986613178e-19, 3.50152499007432e-19, 3.8151030008808e-19, 4.0859990261575193e-19, 4.3218714702149993e-19, 4.5282318206742e-19, 4.70926175854986e-19, 4.86814961534364e-19, 5.00758704780066e-19, 5.1294486025827e-19, 5.2356729134169e-19, 5.32760580867582e-19, 5.40652902966666e-19, 5.47348399120152e-19, 5.52938393396178e-19, 5.57502994626444e-19, 5.6111430075948e-19, 5.63833194507378e-19, 5.65717354228962e-19, 5.668132430466179e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.655571365655619e-19, 5.63330111044302e-19, 5.59938303110124e-19, 5.55168623270706e-19, 5.48783949384216e-19, 5.40491083126632e-19, 5.299359434618399e-19, 5.1669395358183e-19, 5.002460082571859e-19, 4.79959247717478e-19, 4.55045401058778e-19, 4.2453354924088197e-19, 3.8719802713878e-19, 3.4167698461357195e-19, 2.85927646456908e-19, 2.1654859167480599e-19, 1.295012136259422e-19, 1.9239257456398797e-20, -1.219802760706194e-19, -3.04887804743664e-19, -5.459785380980819e-19, -8.6963744428569e-19, -1.3103754080028479e-18, -1.90783989223452e-18]
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: 0.013653325455868075
Energy: 0.014202644011238132
Energy: 0.014081135202452591
Energy: 0.013885843344067953
Energy: 0.4316702108580468
Energy: 0.014030958976549794
Energy: 0.014202644011238132
Energy: 0.09818261429881496
Energy: 0.09814676029300409
Energy: 0.09813834104072583
Energy: 0.09801282333747088
Energy: 0.09915697321782017
Energy: 0.014081135202452591
Energy: 0.09814676029269048
Energy: 0.09898248778572818
Energy: 0.014080919780818624
Energy: 0.09798549338680608
Energy: 0.09852415087575735
Energy: 0.013885843343475585
Energy: 0.09813834104194541
Energy: 0.014080919780818624
Energy: 0.01389050950345493
Energy: 0.09796207175497194
Energy: 0.014062721477122363
Energy: 0.43167021085344726
Energy: 0.0980128233377845
Energy: 0.09798549338680608
Energy: 0.09796207175497194
Energy: 0.09800714761651447
Energy: 0.09800750335672344
Energy: 0.014030958976549794
Energy: 0.09915697321719297
Energy: 0.09852415087575735
Energy: 0.01406272147743597
Energy: 0.09800750335640984
Energy: 0.014117057093142543

minimum gb energy = 0.013653325455868075 eV
minimum distance =  2.55193804680993 Angstroms
sigma value = 1


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

Energy: 1.186500513826619
Energy: 0.7264416927870494
Energy: 0.7792603752489554
Energy: 0.7377389812386282
Energy: 1.0914857306258727
Energy: 0.7596942329086153
Energy: 1.1128640057902044
Energy: 0.7100349083978248
Energy: 0.7135995976475
Energy: 0.7016838118497678
Energy: 0.7171758088345594
Energy: 0.7116143836631487
Energy: 1.0121363302441078
Energy: 0.7038253353685286
Energy: 0.7082693487389309
Energy: 0.7252422085822877
Energy: 0.7042199485498148
Energy: 0.7067980849414373
Energy: 1.1777617833459604
Energy: 0.71574930356293
Energy: 0.7180945475484479
Energy: 0.7144438213815199
Energy: 0.7167975109543672
Energy: 0.7110010428378336
Energy: 1.0648365978814371
Energy: 0.7138722890043515
Energy: 0.7120236244894678
Energy: 0.6999957741226002
Energy: 0.7166654293223964
Energy: 0.7101510823719654
Energy: 1.0625161865740418
Energy: 0.7118058957849775
Energy: 0.7235586593030564
Energy: 0.7162456275820699
Energy: 0.7120001876966926
Energy: 0.7167154563315763
Energy: 1.0649142458515524
Energy: 0.7134693671722447
Energy: 0.7127995235143555
Energy: 0.7072252032267171
Energy: 0.677280985020591
Energy: 0.7179062246680474
Energy: 1.012314014081345
Energy: 0.7099920110591489
Energy: 0.7233496596176808
Energy: 0.6762508849589862
Energy: 0.7099674327308568
Energy: 0.7133833729064281
Energy: 0.862010187790778
Energy: 0.7161157608219464
Energy: 0.7232769120368878
Energy: 0.7111003250379644
Energy: 0.7160350812945702
Energy: 0.7152900809239556
Energy: 0.856301314227759
Energy: 0.7120284819332545
Energy: 0.7121586318111275
Energy: 0.7084449875368487
Energy: 0.7003573172237272
Energy: 0.71290843838351
Energy: 0.8372962539390484
Energy: 0.6968638697582025
Energy: 0.6977399182666609
Energy: 0.7508762763153495
Energy: 0.6959420414174021
Energy: 0.7301271762645752
Energy: 0.7608121416180916
Energy: 0.7094300189235178
Energy: 0.7067505916637522
Energy: 0.7057264957788912
Energy: 0.7226804535907984
Energy: 0.7097886657966219
Energy: 0.759105859277572
Energy: 0.7014579115516459
Energy: 0.7012745794367689
Energy: 0.7143714785862394
Energy: 0.7080573016786722
Energy: 0.7024216533252144
Energy: 0.8141135309844121
Energy: 0.7154234859376172
Energy: 0.7152107947077063
Energy: 0.7348855883244572
Energy: 0.7153520420764616
Energy: 0.7163616796569013
Energy: 0.7877654496104671
Energy: 0.7001322544285393
Energy: 0.7102090833001723
Energy: 0.7149082048166704
Energy: 0.6999837366598102
Energy: 0.7117042858670224
Energy: 0.7928090096313086
Energy: 0.7174445424992987
Energy: 0.7134440323209943
Energy: 0.7047187757264823
Energy: 0.7264601384877413
Energy: 0.7189331873871024
Energy: 1.0186839986531655
Energy: 0.7079372857745146
Energy: 0.7066886772729735
Energy: 0.7169661786357228
Energy: 0.7074094505590759
Energy: 0.7117744373715374
Energy: 0.9604706999041797
Energy: 0.7124102775057795
Energy: 0.7271014015776697
Energy: 0.7186842126606957
Energy: 0.7099365470495276
Energy: 0.7276259114991857
Energy: 0.9619491762549642
Energy: 0.7261642837107752
Energy: 0.7277895899599756
Energy: 0.7108157917303982
Energy: 0.7186474698148637
Energy: 0.7270970168539919
Energy: 1.010856694232059
Energy: 0.7190030116744778
Energy: 0.7278864029444336
Energy: 0.7105335491058323
Energy: 0.7185987764079433
Energy: 0.7270723805386753
Energy: 1.1082513460803434
Energy: 0.7162941517815827
Energy: 0.6980114176220074
Energy: 0.7010121569076654
Energy: 0.7145952926843141
Energy: 0.6973884866409934
Energy: 0.9982243174866949
Energy: 0.7048996321436926
Energy: 0.7114109372069716
Energy: 0.7232317207411367
Energy: 0.7037871527654225
Energy: 0.7099863366837847
Energy: 1.1039956207127963
Energy: 0.7089149066658501
Energy: 0.7126324829923254
Energy: 0.6974535984087884
Energy: 0.7157149466057632
Energy: 0.7114121134363198

minimum gb energy = 0.6762508849589862 eV
minimum distance =  2.37748444595853 Angstroms
sigma value = 33


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

Energy: 1.2981125868895862
Energy: 0.7758053390504992
Energy: 0.7743374388176121
Energy: 0.7747635992856672
Energy: 0.758837860382518
Energy: 0.7760303911575656
Energy: 0.9250742449848123
Energy: 0.7593110163614701
Energy: 0.7424442786819183
Energy: 0.7426736581640189
Energy: 0.7599610802477843
Energy: 0.7480506869558506
Energy: 0.9908650133267334
Energy: 0.741170722471898
Energy: 0.7622912462274711
Energy: 0.7420587192839163
Energy: 0.759426804076323
Energy: 0.7543244330055119
Energy: 1.0687734920669332
Energy: 0.7593176757914052
Energy: 0.747613182014738
Energy: 0.7464942843234961
Energy: 0.7593194604857034
Energy: 0.7460847800520191
Energy: 0.9930748025515118
Energy: 0.7640998534132144
Energy: 0.7439503592091858
Energy: 0.7165167489004036
Energy: 0.7415767181637016
Energy: 0.7526457726093876
Energy: 1.0718710430857576
Energy: 0.7627153672113319
Energy: 0.7504752565757957
Energy: 0.7474386719746554
Energy: 0.7615308902213034
Energy: 0.7504870492970097
Energy: 1.0704605576589408
Energy: 0.7493047543874272
Energy: 0.750552818757077
Energy: 0.7537626367589069
Energy: 0.7286731774878131
Energy: 0.7459445404233732
Energy: 0.9926715936619879
Energy: 0.7497830764867734
Energy: 0.7517462005217643
Energy: 0.7414908906982619
Energy: 0.7502310730514449
Energy: 0.7502972347083218
Energy: 0.8399226892388097
Energy: 0.7474119262565537
Energy: 0.756356688671092
Energy: 0.762557830074019
Energy: 0.7128155784978926
Energy: 0.7481082863252101
Energy: 0.8382973582128799
Energy: 0.7517890783873447
Energy: 0.7516734240823401
Energy: 0.7421837140430234
Energy: 0.7423963508605002
Energy: 0.7532323547217378
Energy: 0.7691716634660859
Energy: 0.7243377095207314
Energy: 0.7241957448349308
Energy: 0.7569614978857832
Energy: 0.7245612870421798
Energy: 0.7244572501900584
Energy: 0.7603177568756825
Energy: 0.7501718296934367
Energy: 0.7498266310883837
Energy: 0.7598259126610668
Energy: 0.7498354790181221
Energy: 0.7425874962827397
Energy: 0.7612140050340078
Energy: 0.7438766555390863
Energy: 0.7537145120285693
Energy: 0.7594599610323265
Energy: 0.7435008223700627
Energy: 0.7425135901675604
Energy: 0.7702437651369034
Energy: 0.7462408896304559
Energy: 0.7451769981161257
Energy: 0.7594926035388931
Energy: 0.7462189605451417
Energy: 0.7264153738542809
Energy: 0.8382555063230275
Energy: 0.7520388018488323
Energy: 0.7519300018680671
Energy: 0.7424293999898163
Energy: 0.742124182377941
Energy: 0.7538392498105545
Energy: 0.8415551285445885
Energy: 0.7552648957785072
Energy: 0.7499654972662406
Energy: 0.7625353575354267
Energy: 0.7469182657357013
Energy: 0.7495024573971143
Energy: 0.9980781397177216
Energy: 0.7465211066035592
Energy: 0.7481946289791674
Energy: 0.7426329613008268
Energy: 0.7454152789862818
Energy: 0.7488178110516779
Energy: 0.9320842954722094
Energy: 0.7487643923396322
Energy: 0.7476336858180644
Energy: 0.7502543126259443
Energy: 0.7436039231038765
Energy: 0.7500499806721123
Energy: 0.9229784625386839
Energy: 0.76132247333846
Energy: 0.7634847781984009
Energy: 0.7123934579454334
Energy: 0.7619004999826768
Energy: 0.7554623266890286
Energy: 0.9929098776758736
Energy: 0.7631331278883517
Energy: 0.7513349145757837
Energy: 0.7163751657331848
Energy: 0.7419039703159139
Energy: 0.7518198745284546
Energy: 1.2075610231869989
Energy: 0.7491016648202027
Energy: 0.7240690257132506
Energy: 0.7244093835921498
Energy: 0.7469889829572224
Energy: 0.7240928944729595
Energy: 0.9245836950359768
Energy: 0.7413902701915767
Energy: 0.7486268290010374
Energy: 0.749708312506227
Energy: 0.7591876872613053
Energy: 0.7430984186216343
Energy: 0.9963504504429158
Energy: 0.7409590873336466
Energy: 0.762834871743673
Energy: 0.7432176508694343
Energy: 0.7601327653327377
Energy: 0.7533308529229517
Energy: 1.070136072698375
Energy: 0.7571596929484526
Energy: 0.7470806217418209
Energy: 0.7248518918678889
Energy: 0.7695168437885413
Energy: 0.7426487870559145
Energy: 0.995272281816227
Energy: 0.719310955352492
Energy: 0.7537467921086515
Energy: 0.7427437519480196
Energy: 0.7406140353501715
Energy: 0.7525405498666873
Energy: 0.9934564795894781
Energy: 0.7614428539282838
Energy: 0.7500532893351332
Energy: 0.7449561554929583
Energy: 0.7617333662245369
Energy: 0.7495649234126966
Energy: 1.0692380192163544
Energy: 0.7314468311470951
Energy: 0.7485202542965652
Energy: 0.7485113471651923
Energy: 0.7299300071763208
Energy: 0.7488212413874669
Energy: 0.9935792643968867
Energy: 0.7495787455170818
Energy: 0.7507342105555812
Energy: 0.7431474801136477
Energy: 0.7490041603280899
Energy: 0.756794477077583
Energy: 0.8410416513745796
Energy: 0.7497022357300304
Energy: 0.750644083814166
Energy: 0.7618975045588723
Energy: 0.7500976598968256
Energy: 0.7487252591344535
Energy: 0.8411166766919055
Energy: 0.7517476377928006
Energy: 0.7513501083894679
Energy: 0.7622480241601546
Energy: 0.7162945110285889
Energy: 0.7528206092330167
Energy: 0.9170363929823587
Energy: 0.72423568738086
Energy: 0.7239930401245275
Energy: 0.7469427341587889
Energy: 0.7257245851997182
Energy: 0.7242082195965476
Energy: 0.7592060687960872
Energy: 0.7506513493002936
Energy: 0.7135898310073041
Energy: 0.7593545923903444
Energy: 0.7504672224648965
Energy: 0.7502315809021208
Energy: 0.7608650611530946
Energy: 0.7519895164089428
Energy: 0.7522061622197405
Energy: 0.7601862231238461
Energy: 0.7431521306314062
Energy: 0.7433479868691693
Energy: 0.7595671877154441
Energy: 0.7244886942242963
Energy: 0.7247949275692588
Energy: 0.7597570782651168
Energy: 0.7456606909689917
Energy: 0.7252410475535054
Energy: 0.8382163768650926
Energy: 0.7510449007360613
Energy: 0.7531582288965131
Energy: 0.7404666069478769
Energy: 0.7431953516313216
Energy: 0.7534907715226671
Energy: 0.8379261772114119
Energy: 0.7513891108899742
Energy: 0.7522669404062098
Energy: 0.762831587640248
Energy: 0.745035983673772
Energy: 0.7465903360439711
Energy: 0.838404855832908
Energy: 0.7485365653656233
Energy: 0.7486143694314926
Energy: 0.743823204270816
Energy: 0.7487407119157901
Energy: 0.7486308503662193
Energy: 0.9228653456151946
Energy: 0.7477964385906183
Energy: 0.7542441333796442
Energy: 0.7123631246080536
Energy: 0.7487845616777795
Energy: 0.7570032646496775
Energy: 0.9300910120299073
Energy: 0.7632469164933194
Energy: 0.7641343016778926
Energy: 0.7502992221408107
Energy: 0.7419472952025588
Energy: 0.7502762939475586
Energy: 0.9928717603586715
Energy: 0.7615342766204467
Energy: 0.7454594262000989
Energy: 0.7164695150852504
Energy: 0.7621378330398754
Energy: 0.7514798678836095
Energy: 1.2090652796345227
Energy: 0.7482952112110981
Energy: 0.7243643316372481
Energy: 0.7136663184247183
Energy: 0.747078833168498
Energy: 0.7245756491169807

minimum gb energy = 0.7123631246080536 eV
minimum distance =  2.40213852973335 Angstroms
sigma value = 51


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

Energy: 1.226863955340283
Energy: 0.7545147134869897
Energy: 0.7543109957836354
Energy: 0.7453579861454055
Energy: 0.7636909377429209
Energy: 0.8022393349413481
Energy: 1.0040321301048798
Energy: 0.7764927605496084
Energy: 0.7577011837107307
Energy: 0.7333905529718612
Energy: 0.7650125423345124
Energy: 0.7214178976535152
Energy: 1.1002236628572648
Energy: 0.7645947820128925
Energy: 0.769964359916842
Energy: 0.7480812286836116
Energy: 0.7631305854827475
Energy: 0.7575018533881328
Energy: 1.0986995548679255
Energy: 0.7544953630875763
Energy: 0.7561668024262332
Energy: 0.7124639535384082
Energy: 0.7546824314302258
Energy: 0.7429220510562318
Energy: 0.9381679613902909
Energy: 0.7230673374208016
Energy: 0.7253777161196369
Energy: 0.7389019042826406
Energy: 0.7956289143935822
Energy: 0.7281859867113026
Energy: 0.9360616778047303
Energy: 0.7223514708690528
Energy: 0.7218007374448702
Energy: 0.7758029880733739
Energy: 0.7224467039814869
Energy: 0.7246346365303621
Energy: 0.9361195328158747
Energy: 0.7226069272146639
Energy: 0.7226466479252073
Energy: 0.7762301262594713
Energy: 0.7224561906869874
Energy: 0.7219923609867837
Energy: 0.9171153750967542
Energy: 0.7175562815325485
Energy: 0.7507115058421575
Energy: 0.7545065280525409
Energy: 0.6998826185866217
Energy: 0.7554483565470974
Energy: 0.7812074502796286
Energy: 0.7452208278326381
Energy: 0.7609280909739312
Energy: 0.7809599327494006
Energy: 0.7446392375172596
Energy: 0.7574848225940785
Energy: 0.779982996478187
Energy: 0.7341067827728416
Energy: 0.7381835436475557
Energy: 0.7802851549959793
Energy: 0.7338722960866003
Energy: 0.7618428865670281
Energy: 0.7938634436905047
Energy: 0.7363447069382866
Energy: 0.7543219227576226
Energy: 0.7400634091717653
Energy: 0.7365113802830008
Energy: 0.7539739274258936
Energy: 0.8191424764104858
Energy: 0.7333455636910629
Energy: 0.7289336312451673
Energy: 0.7627053365795495
Energy: 0.7322053868621833
Energy: 0.7472892547448143
Energy: 0.818867291358803
Energy: 0.7667773766183296
Energy: 0.7701785711978515
Energy: 0.7819757848748075
Energy: 0.7630986796362286
Energy: 0.7706298249069128
Energy: 0.8199623653935062
Energy: 0.7241896881890416
Energy: 0.7418501576474641
Energy: 0.757622144629841
Energy: 0.7243811345290279
Energy: 0.7416638517160449
Energy: 1.001632864658621
Energy: 0.745845515826741
Energy: 0.7456616556554472
Energy: 0.7602118303128952
Energy: 0.7635452620855127
Energy: 0.7453381470224841
Energy: 1.0022799249892438
Energy: 0.7777889590440118
Energy: 0.7677309563748164
Energy: 0.7593978828835248
Energy: 0.7783778050661031
Energy: 0.7358680700712654
Energy: 1.007679016646553
Energy: 0.7801234188794886
Energy: 0.7765418624201315
Energy: 0.7322700117602823
Energy: 0.779748713012039
Energy: 0.7465805232081968
Energy: 1.192260756471466
Energy: 0.7635316881949356
Energy: 0.7501621823791459
Energy: 0.6981516469085082
Energy: 0.7546163599885515
Energy: 0.6961843685282124

minimum gb energy = 0.6961843685282124 eV
minimum distance =  2.37560081409812 Angstroms
sigma value = 19


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

Energy: 1.037289328270485
Energy: 0.7532646669956665
Energy: 0.7524753825139958
Energy: 0.8231608226281864
Energy: 0.7326995019659487
Energy: 0.7526354025866093
Energy: 1.0420220123366215
Energy: 0.7324610319889232
Energy: 0.7325067366002641
Energy: 0.7587314295731287
Energy: 0.7324832198347169
Energy: 0.7326921857755755
Energy: 0.8808719688363904
Energy: 0.7328320240531975
Energy: 0.7327308162755019
Energy: 0.7590733144637524
Energy: 0.732673663417157
Energy: 0.7326664543191828
Energy: 0.8761987637513436
Energy: 0.7327472086359077
Energy: 0.7323960785635385
Energy: 0.7585900472500504
Energy: 0.7322873056776338
Energy: 0.7324433458824116
Energy: 0.8822985003661106
Energy: 0.7323223984396389
Energy: 0.7587318787230628
Energy: 0.7593626168743786
Energy: 0.7324271393837818
Energy: 0.7589916303825682
Energy: 0.8830433790441478
Energy: 0.7119918255515442
Energy: 0.7578945049600601
Energy: 0.76039051872097
Energy: 0.7119392959895693
Energy: 0.7588791408980746
Energy: 0.8825074259401211
Energy: 0.7586171186626756
Energy: 0.757981948520073
Energy: 0.7600811172061517
Energy: 0.7190061188427005
Energy: 0.7596205271357126
Energy: 0.8256583229485963
Energy: 0.7315386954490346
Energy: 0.7244438262760177
Energy: 0.7333331336167825
Energy: 0.7130486278830255
Energy: 0.713210758401959
Energy: 0.7325656314143615
Energy: 0.7126876522374971
Energy: 0.7122777027357866
Energy: 0.7323874258087695
Energy: 0.7233113858078807
Energy: 0.7121835504362651
Energy: 0.7325379717787994
Energy: 0.7336423263075184
Energy: 0.7327569257151676
Energy: 0.732643759681813
Energy: 0.7603053175507113
Energy: 0.7327576371840561
Energy: 0.7311544190702577
Energy: 0.7590476538618433
Energy: 0.7602235725805759
Energy: 0.7318254026320885
Energy: 0.7594478277737965
Energy: 0.7330113417423303
Energy: 0.8811098307508578
Energy: 0.7599361740886402
Energy: 0.758051464813068
Energy: 0.732479075802661
Energy: 0.7705324876738857
Energy: 0.732463051720457
Energy: 0.7117910834266538
Energy: 0.7587132163424217
Energy: 0.7594225620827186
Energy: 0.7140332342788153
Energy: 0.7596884511524485
Energy: 0.7593564304847481
Energy: 0.8820252822794044
Energy: 0.7592154073377761
Energy: 0.7588272127974678
Energy: 0.732780961503134
Energy: 0.7592795362170981
Energy: 0.7588952368028391
Energy: 1.0418354663830411
Energy: 0.7324605505857467
Energy: 0.73257046666112
Energy: 0.7258987366285962
Energy: 0.7323366965467089
Energy: 0.7121001530213572
Energy: 1.0388593119614198
Energy: 0.719934004999087
Energy: 0.7133664342298925
Energy: 0.7141352462380612
Energy: 0.7325232852684994
Energy: 0.7126172704216679
Energy: 0.88197120001875
Energy: 0.7326330679788755
Energy: 0.7325811400263369
Energy: 0.759290623668311
Energy: 0.7327288482474014
Energy: 0.732734293395313
Energy: 0.8774920839215693
Energy: 0.7324952694457448
Energy: 0.7324547096595168
Energy: 0.7586261307390443
Energy: 0.7323668730245049
Energy: 0.7326680957890374
Energy: 0.8750907828120796
Energy: 0.7328399418129053
Energy: 0.7327627151963327
Energy: 0.7587999378146627
Energy: 0.7325658507339371
Energy: 0.7325250042607921
Energy: 0.8823831329074803
Energy: 0.7118483345624529
Energy: 0.7585407703613394
Energy: 0.7589830134007483
Energy: 0.7117969463648974
Energy: 0.7573710185731677
Energy: 0.8784912259260925
Energy: 0.7587603709987921
Energy: 0.7587443359256563
Energy: 0.7603637281845471
Energy: 0.7325939921784954
Energy: 0.7587945766206103
Energy: 0.8818928887568164
Energy: 0.758404159761338
Energy: 0.7584695695264987
Energy: 0.7330389323689781
Energy: 0.7197548865782407
Energy: 0.7583188405253987
Energy: 0.7199139425232063
Energy: 0.7139689938813278
Energy: 0.7124691075790902
Energy: 0.7198852960802806
Energy: 0.7121619650121376
Energy: 0.7120824106269551
Energy: 0.7324562552326245
Energy: 0.7336245362797367
Energy: 0.7328461580550336
Energy: 0.7325195363010298
Energy: 0.74661776748719
Energy: 0.7326995907737117
Energy: 0.73261617380239
Energy: 0.7478582549950202
Energy: 0.732744601697663
Energy: 0.7327648051224267
Energy: 0.7716416166489847
Energy: 0.7327786655913888
Energy: 0.8285032326608766
Energy: 0.7588880331952209
Energy: 0.7612792007794285
Energy: 0.7327119722269846
Energy: 0.7586362609262985
Energy: 0.7327257472421719
Energy: 0.8822207508534701
Energy: 0.7590725495796057
Energy: 0.7588269482682991
Energy: 0.7335649566468426
Energy: 0.759977087107401
Energy: 0.7586319562297993
Energy: 0.7119330441991963
Energy: 0.7591929569677176
Energy: 0.7594960519697729
Energy: 0.7118283831623301
Energy: 0.7602306395724541
Energy: 0.7572968408932633
Energy: 0.8273399756132519
Energy: 0.7589786376277703
Energy: 0.7588712950282017
Energy: 0.7196253106937529
Energy: 0.759493007362734
Energy: 0.7582615901305044
Energy: 1.040579949046274
Energy: 0.7332410090037634
Energy: 0.7121219343957539
Energy: 0.7128367481164943
Energy: 0.732353434652489
Energy: 0.7121440726327171

minimum gb energy = 0.7117910834266538 eV
minimum distance =  2.39558940612783 Angstroms
sigma value = 27


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

Energy: 0.881406070359044
Energy: 0.7761370572227927
Energy: 0.7760590533951459
Energy: 0.7176690057023716
Energy: 1.2605431972891536
Energy: 0.7754621223548162
Energy: 0.7686293225041811
Energy: 0.7363760232269213
Energy: 0.6437216185896361
Energy: 0.6779360168391819
Energy: 0.7358708282467892
Energy: 0.6437320557555201
Energy: 0.788375148498702
Energy: 0.7410976635195435
Energy: 0.6811046703333534
Energy: 0.6441391721622549
Energy: 0.7366576381177115
Energy: 0.6823758040673894
Energy: 0.6900284434960694
Energy: 0.6443827836382056
Energy: 0.6433775166077526
Energy: 0.6760018063246456
Energy: 0.6441822020069188
Energy: 0.643303957065104
Energy: 0.8613440408634107
Energy: 0.6444436666174604
Energy: 0.6439620259750848
Energy: 0.698618312424511
Energy: 0.675743720083903
Energy: 0.644610534888939
Energy: 0.7387174986214465
Energy: 0.6761847349883534
Energy: 0.6759601543071914
Energy: 0.7377704202811372
Energy: 0.7056805996111912
Energy: 0.6442502602234906
Energy: 0.7368876148261733
Energy: 0.6768145443837194
Energy: 0.6817883307539694
Energy: 0.7372838106962362
Energy: 0.6771120065985449
Energy: 0.682082145984101
Energy: 0.7366792973398125
Energy: 0.6702090694499204
Energy: 0.670627251242818
Energy: 0.7362749137074297
Energy: 0.6704977278493384
Energy: 0.6707352712230552
Energy: 0.788263344330473
Energy: 0.643377287408876
Energy: 0.6779270094085297
Energy: 0.7362157620945516
Energy: 0.6709154424063355
Energy: 0.6444951666468891
Energy: 0.7898721951537468
Energy: 0.6735318588752127
Energy: 0.6813574082870499
Energy: 0.7182291694814993
Energy: 0.6751523519890062
Energy: 0.6821452197323454
Energy: 0.7888927887782751
Energy: 0.7146985661059672
Energy: 0.7161472743036068
Energy: 0.6823736145912117
Energy: 0.7155308031897811
Energy: 0.7171602536522133
Energy: 0.7882730523722123
Energy: 0.681322777820195
Energy: 0.6437459824602313
Energy: 0.6782387305510775
Energy: 0.6825230531143377
Energy: 0.6437365210575849

minimum gb energy = 0.643303957065104 eV
minimum distance =  2.41706353895562 Angstroms
sigma value = 9


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

Energy: 1.4718254153690926
Energy: 0.6255959872697628
Energy: 0.6190979267763118
Energy: 0.6167832245684752
Energy: 0.688108677964136
Energy: 0.6221224402363863
Energy: 0.617413053827176
Energy: 0.6264455441635827
Energy: 0.6202737412312616
Energy: 0.613291037065845
Energy: 0.6371824999441142
Energy: 0.614451106257862
Energy: 0.6727370802871884
Energy: 0.6421806441688465
Energy: 0.6334357378431534
Energy: 0.6332314716615977
Energy: 0.638792495665472
Energy: 0.6355498400902141
Energy: 0.6730059689227257
Energy: 0.5942231571286258
Energy: 0.5938478177345743
Energy: 0.6272085457934785
Energy: 0.5966510584240553
Energy: 0.5938469424212858
Energy: 0.7109073916778074
Energy: 0.611837416130207
Energy: 0.6345480262750804
Energy: 0.6364555664659041
Energy: 0.611116966690184
Energy: 0.6225918717425947
Energy: 0.6444764844407622
Energy: 0.5898653627673424
Energy: 0.6349480491394214
Energy: 0.6444619845013058
Energy: 0.6204454133394839
Energy: 0.6202572265287852
Energy: 0.6446577012943983
Energy: 0.5942797941342037
Energy: 0.5939549960663015
Energy: 0.6456592395218154
Energy: 0.5972054310127445
Energy: 0.6503115837115809
Energy: 0.6591889024122507
Energy: 0.6355212591158237
Energy: 0.6202385678808064
Energy: 0.6600419760299031
Energy: 0.6204479988203034
Energy: 0.597883997767764
Energy: 0.7622130023720055
Energy: 0.6270706235464693
Energy: 0.6381228275888179
Energy: 0.6372979190622237
Energy: 0.6309729494947709
Energy: 0.6253870246293204
Energy: 0.6235352217483998
Energy: 0.5943854805655379
Energy: 0.5946180840458317
Energy: 0.619588208067557
Energy: 0.5963345102850854
Energy: 0.5919035633061858
Energy: 0.6165152314621062
Energy: 0.6289070757150984
Energy: 0.635450853299174
Energy: 0.622348390200201
Energy: 0.644644027038868
Energy: 0.6352510846372844
Energy: 0.774782791709246
Energy: 0.6451710499042393
Energy: 0.6208678377308643
Energy: 0.605703157400123
Energy: 0.6450842700037687
Energy: 0.6213979742998361
Energy: 0.8974450095931098
Energy: 0.626325696352453
Energy: 0.6566439797073358
Energy: 0.6218179784044353
Energy: 0.625826889717728
Energy: 0.6386611172442413
Energy: 0.7752628027789453
Energy: 0.6228740935554068
Energy: 0.6221977369917634
Energy: 0.6059076245282201
Energy: 0.6457291761281869
Energy: 0.6217892671330769
Energy: 0.6384580435587105
Energy: 0.6175622263764393
Energy: 0.617181800462332
Energy: 0.638038450973953
Energy: 0.6204018979220908
Energy: 0.6625074182077457
Energy: 0.6381750749425766
Energy: 0.6151696367674272
Energy: 0.6283657162198675
Energy: 0.6377162191601956
Energy: 0.6282511566608727
Energy: 0.6188041808107207
Energy: 0.6367748398275375
Energy: 0.593491187422712
Energy: 0.619521668623017
Energy: 0.6369583077244195
Energy: 0.6046683259367751
Energy: 0.6212989675994512
Energy: 0.7001185229923151
Energy: 0.5926466634663471
Energy: 0.6199426139450184
Energy: 0.6367522135479391
Energy: 0.6252232721735722
Energy: 0.621259449811984
Energy: 0.672988421131795
Energy: 0.6111919010191438
Energy: 0.6143728099295437
Energy: 0.637633772745992
Energy: 0.6102927092650203
Energy: 0.6148341902019789
Energy: 0.6723539651842003
Energy: 0.6232621089679304
Energy: 0.6110533320566072
Energy: 0.6222607756781766
Energy: 0.6222967209803818
Energy: 0.6180987451498614
Energy: 0.6732174051931415
Energy: 0.6336900250427523
Energy: 0.6130117954068937
Energy: 0.6240034922653064
Energy: 0.6342839973198546
Energy: 0.6155901968814604
Energy: 0.711689701604708
Energy: 0.6127258001923704
Energy: 0.6115987562991319
Energy: 0.6126496011699246
Energy: 0.6243089532910283
Energy: 0.6100020000125523
Energy: 0.709524481131194
Energy: 0.6255060699185295
Energy: 0.6359609476810977
Energy: 0.6121631596196793
Energy: 0.6371869707032555
Energy: 0.5916838809063658
Energy: 0.6725661588221727
Energy: 0.6388344055811048
Energy: 0.6345743209090196
Energy: 0.6355821142959154
Energy: 0.6382853987793473
Energy: 0.6220656124350747
Energy: 0.9046175590594945
Energy: 0.6350657729133593
Energy: 0.6237749054437794
Energy: 0.6153786526579419
Energy: 0.6392150375435942
Energy: 0.6217541285209232
Energy: 0.6718532757335879
Energy: 0.5944048571105679
Energy: 0.5951113305482215
Energy: 0.6391993395073309
Energy: 0.6056230265853669
Energy: 0.6218090962690674
Energy: 0.6252177872072363
Energy: 0.5944986821743837
Energy: 0.5940378433498598
Energy: 0.6255881966898146
Energy: 0.618479852939791
Energy: 0.5933295381733965
Energy: 0.644845258920332
Energy: 0.594169137601704
Energy: 0.5937038506891898
Energy: 0.6448527128358783
Energy: 0.6057222536446538
Energy: 0.6205791742854196
Energy: 0.6447910188342745
Energy: 0.5945890537449574
Energy: 0.6373200193306203
Energy: 0.6447793405551748
Energy: 0.618974622508128
Energy: 0.6366408685658397
Energy: 0.6501559760824535
Energy: 0.6145780679345891
Energy: 0.5968451588255654
Energy: 0.6212513482512249
Energy: 0.6207122229708273
Energy: 0.5960239469084077
Energy: 0.6165007560089002
Energy: 0.5953843062382903
Energy: 0.6203354844246526
Energy: 0.6213891687027124
Energy: 0.618303831496531
Energy: 0.6383326863793266
Energy: 0.62112946960865
Energy: 0.6217806715135741
Energy: 0.6189069946317097
Energy: 0.6197989175596759
Energy: 0.6437674964995547
Energy: 0.591903309286803
Energy: 0.7752992802769241
Energy: 0.6462730266296312
Energy: 0.6438957642197295
Energy: 0.6381653090813019
Energy: 0.6463702493766686
Energy: 0.5938750874377686
Energy: 0.6671754055047754
Energy: 0.64495767916353
Energy: 0.6211193673980744
Energy: 0.6179797097732324
Energy: 0.6442557086892171
Energy: 0.5962508536764265
Energy: 0.6640265890483456
Energy: 0.6081436246197921
Energy: 0.6182903808619424
Energy: 0.619045356203269
Energy: 0.6364188622766117
Energy: 0.6230957615574284
Energy: 0.7735534884671987
Energy: 0.6187599990515813
Energy: 0.6172045008424046
Energy: 0.6412812740378683
Energy: 0.6211910715420695
Energy: 0.5999960670729322
Energy: 0.6387107537842477
Energy: 0.6146278217724388
Energy: 0.6305259667233667
Energy: 0.6382892490613943
Energy: 0.6260379624177034
Energy: 0.6292525032791415
Energy: 0.6370049094734793
Energy: 0.6139834009047923
Energy: 0.6129896850155663
Energy: 0.6369174472837222
Energy: 0.6134043355376638
Energy: 0.609872669291832
Energy: 0.6598869228406852
Energy: 0.5944329318866953
Energy: 0.5943831939220593
Energy: 0.6056176652735075
Energy: 0.6093899356853617
Energy: 0.6509987949136449
Energy: 0.6722300918230887
Energy: 0.6149955797550316
Energy: 0.6140979208688141
Energy: 0.6369513271625069
Energy: 0.6143032781465039
Energy: 0.61193931946661
Energy: 0.6716887232113015
Energy: 0.6192255035943109
Energy: 0.6197897483296377
Energy: 0.6213368939029893
Energy: 0.6243026848932006
Energy: 0.6174521598086851
Energy: 0.6734746096792226
Energy: 0.6237014964184507
Energy: 0.6276169305175731
Energy: 0.620595822463125
Energy: 0.623385874659287
Energy: 0.613150058303888
Energy: 0.7099333441212369
Energy: 0.6045272660930835
Energy: 0.6207855743845502
Energy: 0.6122116569614373
Energy: 0.6373249795053225
Energy: 0.5917009631143377

minimum gb energy = 0.5898653627673424 eV
minimum distance =  2.37016256859739 Angstroms
sigma value = 57


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

Energy: 0.32339846524001364
Energy: 0.33540703663096677
Energy: 0.32888870250571334
Energy: 0.32455645866630517
Energy: 0.3652490358946026
Energy: 0.33264237314833733
Energy: 0.3243286634615857
Energy: 0.3426263939258842
Energy: 0.34800568514189983
Energy: 0.3605028676716771
Energy: 0.3423337038120379
Energy: 0.34356443904882317
Energy: 0.3996728239661176
Energy: 0.3461765880044537
Energy: 0.3458482853952251
Energy: 0.3637679909984978
Energy: 0.3650437042279935
Energy: 0.3481501265053626
Energy: 0.3998196617460036
Energy: 0.3455311133163072
Energy: 0.3479107491323448
Energy: 0.3445322095069893
Energy: 0.36639601825152707
Energy: 0.3467705302488082
Energy: 0.3950420414207593
Energy: 0.3382227646259002
Energy: 0.3261684466330963
Energy: 0.36453394574900044
Energy: 0.3258790089926093
Energy: 0.3453221570625707
Energy: 0.36434334005703606
Energy: 0.33154252359586234
Energy: 0.32977957815614717
Energy: 0.3437444366764773
Energy: 0.32909783610308574
Energy: 0.33946851898232405
Energy: 0.3583834913282728
Energy: 0.3427825429218289
Energy: 0.3489533134907243
Energy: 0.35943521780454907
Energy: 0.3400265966016
Energy: 0.3463001406727173
Energy: 0.3641802271396472
Energy: 0.3446931479432223
Energy: 0.34925384908649854
Energy: 0.36493187636000174
Energy: 0.3417319790641982
Energy: 0.35071153684063083
Energy: 0.3946454070416278
Energy: 0.3443159802555707
Energy: 0.34766871388952403
Energy: 0.3645314953156036
Energy: 0.3619074897743996
Energy: 0.34899589135939096
Energy: 0.3292788479498063
Energy: 0.34768323707712284
Energy: 0.3326363475166911
Energy: 0.32482405610932136
Energy: 0.36147822552401176
Energy: 0.336697375063051
Energy: 0.32426165625954834
Energy: 0.34408778852219496
Energy: 0.3455933746355767
Energy: 0.32508324730246074
Energy: 0.34112719426489624
Energy: 0.3283741248623058
Energy: 0.3965593961276102
Energy: 0.3527442003954005
Energy: 0.3434173186221856
Energy: 0.3492091951873089
Energy: 0.3623186143289619
Energy: 0.34321972653368227
Energy: 0.3996430208579398
Energy: 0.3725583826297169
Energy: 0.35998914504369817
Energy: 0.34383386219377676
Energy: 0.4003030608181426
Energy: 0.3612233800854521
Energy: 0.3954231726816533
Energy: 0.3607043913691919
Energy: 0.3444522665341252
Energy: 0.36222378733018484
Energy: 0.36179554632404265
Energy: 0.34408852685369695
Energy: 0.34241844980731667
Energy: 0.3287174840651014
Energy: 0.33285301437947173
Energy: 0.34264054321423765
Energy: 0.3259015139220577
Energy: 0.32727796036167117
Energy: 0.3612224271286084
Energy: 0.34531224700027197
Energy: 0.34505372153165853
Energy: 0.3635300485164409
Energy: 0.3272271249457916
Energy: 0.34523478538625985
Energy: 0.3637343025290643
Energy: 0.3410567907386306
Energy: 0.345286200073225
Energy: 0.36435519775614794
Energy: 0.35568390595560906
Energy: 0.3471466304184602
Energy: 0.3994940623634441
Energy: 0.3442609736267254
Energy: 0.3467590877866557
Energy: 0.40007447273076685
Energy: 0.34188698897293446
Energy: 0.34948086602202544
Energy: 0.3243403770261173
Energy: 0.3432275833159851
Energy: 0.34674911712192796
Energy: 0.325159742064206
Energy: 0.34127073741581687
Energy: 0.34579575567090987

minimum gb energy = 0.32339846524001364 eV
minimum distance =  2.43282495845486 Angstroms
sigma value = 11


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

Energy: 1.1986088610587835
Energy: 0.48922919074083593
Energy: 0.5195466890511563
Energy: 0.5195782160260349
Energy: 0.5090317543515308
Energy: 0.5191704493954709
Energy: 0.5185630484233607
Energy: 0.5025287850064455
Energy: 0.5034137051690947
Energy: 0.4994774678477555
Energy: 0.49958805078264257
Energy: 0.5046807236044878
Energy: 0.5049921845089914
Energy: 0.5085866708423269
Energy: 0.5089255144780496
Energy: 0.50311764992393
Energy: 0.5082702301044302
Energy: 0.5003736903210513
Energy: 0.5043646283535813
Energy: 0.5130138901477899
Energy: 0.49819426558820457
Energy: 0.5030099847866505
Energy: 0.5005576922318545
Energy: 0.5074262415875403
Energy: 0.4984677646195587
Energy: 0.6001317012257547
Energy: 0.5528553545083527
Energy: 0.5007612003203893
Energy: 0.5009775552026466
Energy: 0.5046524309180732
Energy: 0.5336669627976908
Energy: 0.5057687434803709
Energy: 0.5584055400820993
Energy: 0.49831158846492807
Energy: 0.504657676739298
Energy: 0.5486702061414283
Energy: 0.5374558555796981
Energy: 0.5026216618447169
Energy: 0.5060140860606183
Energy: 0.500664919742129
Energy: 0.5017943122146702
Energy: 0.5017403496577612
Energy: 0.5127504551619279
Energy: 0.5183810324526859
Energy: 0.5193015754751528
Energy: 0.5069545720479055
Energy: 0.5177725788878201
Energy: 0.5049916208376661
Energy: 0.5371216139556362
Energy: 0.5044576854533122
Energy: 0.49753216328503264
Energy: 0.501615440336652
Energy: 0.49965330908442024
Energy: 0.5051362846187422
Energy: 0.7042496962445093
Energy: 0.5462447678537424
Energy: 0.5533244379789247
Energy: 0.5074600839977598
Energy: 0.547228317152995
Energy: 0.55834611879278
Energy: 0.5646846281024637
Energy: 0.5458513737751771
Energy: 0.5468213545640818
Energy: 0.5011299138200275
Energy: 0.5464146433565727
Energy: 0.553105618914272
Energy: 0.6296526925980576
Energy: 0.4951301160591147
Energy: 0.4992645346007138
Energy: 0.5910817831776966
Energy: 0.49173452626700004
Energy: 0.5066165838983013
Energy: 0.7039372767715659
Energy: 0.4963551555101792
Energy: 0.4971590792193495
Energy: 0.522529121960188
Energy: 0.49359399961026956
Energy: 0.49901394925094145
Energy: 0.6109090622084489
Energy: 0.6008305339072298
Energy: 0.5983234277737314
Energy: 0.5007452837506482
Energy: 0.5990461992127758
Energy: 0.5977958732983737
Energy: 0.6124119825430172
Energy: 0.49906849589778385
Energy: 0.502193077078809
Energy: 0.5753370434943467
Energy: 0.5036758389810512
Energy: 0.6656366032697986
Energy: 0.7542128371478721
Energy: 0.6005113838680869
Energy: 0.5984763038695704
Energy: 0.546633968466369
Energy: 0.6025369467550036
Energy: 0.5985353461955559
Energy: 0.8361293045163087
Energy: 0.499703411648661
Energy: 0.5176887935556829
Energy: 0.723787254086459
Energy: 0.5019973733349796
Energy: 0.5192677526384533
Energy: 0.9687587008341437
Energy: 0.5471519369712202
Energy: 0.5975439093877645
Energy: 0.5097724429087807
Energy: 0.5471002816840188
Energy: 0.5976881684173329
Energy: 0.757246410685911
Energy: 0.5040899744140463
Energy: 0.505998343739566
Energy: 0.5066032156181403
Energy: 0.5109788126390998
Energy: 0.5003217089116627
Energy: 0.6803290097718846
Energy: 0.5970816487799134
Energy: 0.5020955785338824
Energy: 0.6205180472115087
Energy: 0.6059354744338812
Energy: 0.5043868477020103
Energy: 0.7542939891269641
Energy: 0.5556626907168131
Energy: 0.5522657366272297
Energy: 0.5538627821458805
Energy: 0.6012547375337653
Energy: 0.5482567666426724
Energy: 0.7063362073454968
Energy: 0.5086871655387857
Energy: 0.5143400319123204
Energy: 0.734051212991948
Energy: 0.5177578677875901
Energy: 0.48558214325121396
Energy: 0.5017301010259984
Energy: 0.5558193483689555
Energy: 0.5531992147850325
Energy: 0.5023860119455853
Energy: 0.5562422132412151
Energy: 0.550781673197864
Energy: 0.5105792182189313
Energy: 0.5037819505230688
Energy: 0.5003824796911875
Energy: 0.5113084806732017
Energy: 0.5032888880772128
Energy: 0.4992501528932465
Energy: 0.6047949067924091
Energy: 0.5018405997128322
Energy: 0.5042432348262845
Energy: 0.5807123116456109
Energy: 0.5013049015595411
Energy: 0.49856108383434505
Energy: 0.5620472809898056
Energy: 0.4992243806825147
Energy: 0.5016060164886902
Energy: 0.49215994037212923
Energy: 0.49860751545823717
Energy: 0.507620009646515

minimum gb energy = 0.48558214325121396 eV
minimum distance =  2.40551107529831 Angstroms
sigma value = 41


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

Energy: 1.0930647050560143
Energy: 0.5379925322846317
Energy: 0.579961665423867
Energy: 0.6206604952271731
Energy: 0.5308400296454577
Energy: 0.5486725452475278
Energy: 0.5551852498828378
Energy: 0.5297055290878052
Energy: 0.5298503854133322
Energy: 0.5332720665206632
Energy: 0.5318130577055067
Energy: 0.5303091633272042
Energy: 0.5349811237131464
Energy: 0.5302118757722514
Energy: 0.5308775804777458
Energy: 0.5325735910387347
Energy: 0.5312704480340793
Energy: 0.5304026112655191
Energy: 0.5362184259425039
Energy: 0.5287905711090809
Energy: 0.5311119523442863
Energy: 0.5329070207816686
Energy: 0.5330304054444038
Energy: 0.5322974006492804
Energy: 0.5341336001076518
Energy: 0.5320353720621835
Energy: 0.532781049950383
Energy: 0.5342263466502846
Energy: 0.5324792309037496
Energy: 0.5344405622680249
Energy: 0.5893274529586392
Energy: 0.5347956122495583
Energy: 0.5326107441481734
Energy: 0.53223151025513
Energy: 0.5356662275133254
Energy: 0.5314689996036986
Energy: 0.5906235647062867
Energy: 0.5326492328501333
Energy: 0.5321753428441482
Energy: 0.5339356823655129
Energy: 0.5347875677841725
Energy: 0.5295507697929539
Energy: 0.5540816302039527
Energy: 0.5746581839498955
Energy: 0.5743679360703131
Energy: 0.5135529053840592
Energy: 0.5746817676631659
Energy: 0.5373285764506086
Energy: 0.5912508649691316
Energy: 0.5313161199937737
Energy: 0.5306349807539612
Energy: 0.5341554810985458
Energy: 0.5336592106521463
Energy: 0.5302920929984059
Energy: 0.7971623861767678
Energy: 0.5352888858212287
Energy: 0.5300973907822178
Energy: 0.7115131878549398
Energy: 0.5418572100353569
Energy: 0.5300082369134191
Energy: 0.5919678323751453
Energy: 0.5358453323825733
Energy: 0.5306449051614387
Energy: 0.5353051857760639
Energy: 0.5357960738784844
Energy: 0.5300291461647583
Energy: 0.6481995844588323
Energy: 0.5137030768920877
Energy: 0.5144258271266631
Energy: 0.5377014705382525
Energy: 0.5138946893072067
Energy: 0.5304814060095914
Energy: 0.537473339671413
Energy: 0.5134523848132784
Energy: 0.5141276775834218
Energy: 0.5383142588154604
Energy: 0.513464780291677
Energy: 0.5149387772982924
Energy: 0.5394616182547405
Energy: 0.5344788235258077
Energy: 0.5303806125594344
Energy: 0.5337392505316403
Energy: 0.5347962091158068
Energy: 0.5311653767285732
Energy: 0.575243879355982
Energy: 0.5301735926072837
Energy: 0.5589711362119218
Energy: 0.5752922627256403
Energy: 0.5331350905086445
Energy: 0.5651511057936829
Energy: 0.5353876067385328
Energy: 0.5314818447911825
Energy: 0.5317723327648953
Energy: 0.535056491466536
Energy: 0.5321194734471443
Energy: 0.5322768876273184
Energy: 1.0386620210460609
Energy: 0.5378772947181455
Energy: 0.5156680945095322
Energy: 0.5437612987916339
Energy: 0.5324948741960952
Energy: 0.5145230400716547
Energy: 0.5544383781390054
Energy: 0.5337566406156652
Energy: 0.5354779089497833
Energy: 0.5323612792173921
Energy: 0.5313684844714632
Energy: 0.5137734958779646
Energy: 0.5369565934963006
Energy: 0.5332421941427297
Energy: 0.5319968387088468
Energy: 0.5348839680573051
Energy: 0.5338468644036788
Energy: 0.5311907444120559
Energy: 0.5343004104365701
Energy: 0.5329965972709881
Energy: 0.5313557947417009
Energy: 0.5331531548886258
Energy: 0.5338020405512849
Energy: 0.53136646254347
Energy: 0.5347807962234771
Energy: 0.5308027109456256
Energy: 0.5301191253874695
Energy: 0.5316088243687002
Energy: 0.5320111858665855
Energy: 0.5303728221912417
Energy: 0.8760601755477896
Energy: 0.5321092240902737
Energy: 0.5838535419687761
Energy: 0.7970536764191224
Energy: 0.5324782768893277
Energy: 0.5487983330916651
Energy: 0.5908432657580015
Energy: 0.5312511127533776
Energy: 0.531838977756865
Energy: 0.5348812330013346
Energy: 0.5322061549159329
Energy: 0.5318787205493528
Energy: 0.5544318341328602
Energy: 0.5766320409992262
Energy: 0.5338226689055254
Energy: 0.5133930320664011
Energy: 0.5769815254562545
Energy: 0.5154376756621111
Energy: 0.5909819982857305
Energy: 0.5323332804549239
Energy: 0.531031006717205
Energy: 0.5343688570865924
Energy: 0.5323888188857008
Energy: 0.5314521078311779
Energy: 0.592066701039184
Energy: 0.5356057024082432
Energy: 0.5320801168713919
Energy: 0.5355588509865435
Energy: 0.535801252090407
Energy: 0.5316156082139212
Energy: 0.7965582613416073
Energy: 0.5365185368586902
Energy: 0.5297900410221559
Energy: 0.5329401595544448
Energy: 0.5419463020818656
Energy: 0.5318871525163069
Energy: 0.5891692666128595
Energy: 0.5135723284145008
Energy: 0.536698897507718
Energy: 0.5363985776153053
Energy: 0.5153356337589293
Energy: 0.5392775089812016
Energy: 0.5381871665707084
Energy: 0.5145628766308137
Energy: 0.514182306966575
Energy: 0.531690851963174
Energy: 0.5147580957773248
Energy: 0.5133872632900593
Energy: 0.6389143241774554
Energy: 0.5366964941713469
Energy: 0.5365339573093189
Energy: 0.5332311603245673
Energy: 0.5361825058359946
Energy: 0.536599283921292
Energy: 0.539351879381285
Energy: 0.5297836051922985
Energy: 0.5296588354031353
Energy: 0.5386983543404507
Energy: 0.531412696040123
Energy: 0.5294788118994168
Energy: 0.5360721437078647
Energy: 0.5326244610468188
Energy: 0.5304396539780545
Energy: 0.534762649325773
Energy: 0.5339168745458921
Energy: 0.5326284434556482
Energy: 1.0373776985025118
Energy: 0.5336622877348883
Energy: 0.5147992351372321
Energy: 0.5283616299773457
Energy: 0.5325961245817159
Energy: 0.5169725505736061

minimum gb energy = 0.5133872632900593 eV
minimum distance =  2.38053583993383 Angstroms
sigma value = 33


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

Energy: 0.7341056549587349
Energy: 0.5831317558306761
Energy: 0.5834771789915795
Energy: 0.5794522279443939
Energy: 0.6668200790163615
Energy: 0.5833368971348858
Energy: 0.6104330369164506
Energy: 0.5656805512325241
Energy: 0.5659374127244877
Energy: 0.5760683262451056
Energy: 0.5754335789785251
Energy: 0.567241154383404
Energy: 0.5823021723709583
Energy: 0.5666345184290501
Energy: 0.5673260241625677
Energy: 0.5671418389757855
Energy: 0.5663259289247617
Energy: 0.567517067040891
Energy: 0.5821227547140823
Energy: 0.5683495123311436
Energy: 0.5670959660073617
Energy: 0.5659897587766594
Energy: 0.5680759686278829
Energy: 0.5721272492407949
Energy: 0.5808447688058398
Energy: 0.5733690468163027
Energy: 0.5545580296355325
Energy: 0.5805935403584571
Energy: 0.5838743105876466
Energy: 0.5651160054063054
Energy: 0.6131134922067815
Energy: 0.5755056052640075
Energy: 0.5758641050462509
Energy: 0.5533767789132167
Energy: 0.5739233816112933
Energy: 0.5749626148656994
Energy: 0.6138570104312889
Energy: 0.5585342826430045
Energy: 0.5691040097726371
Energy: 0.5739798272595823
Energy: 0.5652610768279436
Energy: 0.5720907386932453
Energy: 0.6081909724137562
Energy: 0.598583474761735
Energy: 0.5794777585833764
Energy: 0.55187041070427
Energy: 0.6226740093559461
Energy: 0.5809619999675273
Energy: 0.6132207629780783
Energy: 0.5538732047011904
Energy: 0.5591265026311907
Energy: 0.5916686520201373
Energy: 0.5564183802800735
Energy: 0.5596150235306325
Energy: 0.656677768832962
Energy: 0.5658295156045946
Energy: 0.5656829098716766
Energy: 0.5666661905298326
Energy: 0.5661415277568841
Energy: 0.5664577283288176
Energy: 0.6128037070981653
Energy: 0.56808136596705
Energy: 0.5682195886870562
Energy: 0.575492638715111
Energy: 0.5566124693264809
Energy: 0.5693468811922683
Energy: 0.6111699708619305
Energy: 0.5515839073093824
Energy: 0.5520596130069362
Energy: 0.5725802119482329
Energy: 0.5636064282971773
Energy: 0.5538465199289163
Energy: 0.6210647821266086
Energy: 0.5516954886124517
Energy: 0.5515210471287391
Energy: 0.5546620533263361
Energy: 0.5512978726764237
Energy: 0.5521214966153832
Energy: 0.5895889876947341
Energy: 0.5686257734961002
Energy: 0.5702892787755273
Energy: 0.5769794417327194
Energy: 0.5811231382596797
Energy: 0.5701938018661681
Energy: 0.5508400241931927
Energy: 0.5664420594186858
Energy: 0.5661833591956563
Energy: 0.5664584909936407
Energy: 0.5667866824799802
Energy: 0.5660902197718225
Energy: 0.5839781819563076
Energy: 0.5758709273834716
Energy: 0.567745458314238
Energy: 0.5750740779903474
Energy: 0.5752364998083729
Energy: 0.5688686854757274
Energy: 0.9419030764535856
Energy: 0.555473894183879
Energy: 0.5701440499439058
Energy: 0.5562145599851551
Energy: 0.554502833471326
Energy: 0.5764086092889911
Energy: 0.6142470456796952
Energy: 0.5540110354235954
Energy: 0.5539142309140636
Energy: 0.5692318866635202
Energy: 0.5732391176449803
Energy: 0.5550521360535817
Energy: 0.5818872871076207
Energy: 0.5519112177479695
Energy: 0.5536709985288624
Energy: 0.5665685302821676
Energy: 0.5528279352698611
Energy: 0.573670172132926
Energy: 0.5553017548808211
Energy: 0.5529853276367431
Energy: 0.5526285215670689
Energy: 0.5552406867665538
Energy: 0.553311759465668
Energy: 0.5664195116365152
Energy: 0.5555193504879969
Energy: 0.557188555940954
Energy: 0.557336083627258
Energy: 0.5564552390861071
Energy: 0.5575426107201298
Energy: 0.5568088781022769
Energy: 0.6265143144841128
Energy: 0.5660410207272091
Energy: 0.565592311114574
Energy: 0.6249488889115209
Energy: 0.5751364524807658
Energy: 0.5656545936704229
Energy: 0.5827888816422222
Energy: 0.5685459486925075
Energy: 0.5698990221646876
Energy: 0.5732908970524828
Energy: 0.5933553651112609
Energy: 0.557746181644272
Energy: 0.6135079879051705
Energy: 0.5615041563146119
Energy: 0.5532287407025964
Energy: 0.5518289256438356
Energy: 0.5667052833866231
Energy: 0.5523678364111908
Energy: 0.6094330892659059
Energy: 0.5898396083899625
Energy: 0.5761932763648602
Energy: 0.5776873399883234
Energy: 0.5676897602572499
Energy: 0.5776351184889927
Energy: 0.5821440035927007
Energy: 0.5670012128103552
Energy: 0.5697385876928422
Energy: 0.5658629170324907
Energy: 0.5664615191355896
Energy: 0.5654299987525047
Energy: 0.5826345779453446
Energy: 0.5663817647209172
Energy: 0.5683085350884695
Energy: 0.5659914536694834
Energy: 0.5674874530886184
Energy: 0.5687911914478538
Energy: 0.5808938156293216
Energy: 0.5585958881710454
Energy: 0.56599361159549
Energy: 0.5805355189039446
Energy: 0.5793209822757971
Energy: 0.5658905929776117
Energy: 0.6528029452529854
Energy: 0.5758942782339044
Energy: 0.576531042300357
Energy: 0.5762375254677996
Energy: 0.5749600975494651
Energy: 0.5759215184329413
Energy: 0.6126447778145263
Energy: 0.5565195589974609
Energy: 0.5582097498493146
Energy: 0.566375628151679
Energy: 0.5575310051874802
Energy: 0.5698538248180237
Energy: 0.6094758627841785
Energy: 0.5990322643845012
Energy: 0.5784156623532355
Energy: 0.5523755649379882
Energy: 0.5989018339703617
Energy: 0.580420420960317
Energy: 0.6141109788030505
Energy: 0.5753939933011767
Energy: 0.5577378144527246
Energy: 0.5583641733677961
Energy: 0.5576332715551899
Energy: 0.5584466749072006
Energy: 0.6555916212568276
Energy: 0.5668656425784505
Energy: 0.5699602925906694
Energy: 0.5664742443447643
Energy: 0.5661928845417609
Energy: 0.5726456611251053
Energy: 0.6557582307295245
Energy: 0.5707865870955972
Energy: 0.571610549185029
Energy: 0.5664210937950216
Energy: 0.5675627646967867
Energy: 0.5738443052197923
Energy: 0.613972425677349
Energy: 0.5619856994399015
Energy: 0.5520695324075062
Energy: 0.5727490120100941
Energy: 0.5537743027116996
Energy: 0.5591357644451609
Energy: 0.622778749182802
Energy: 0.55181099154827
Energy: 0.5523822561904039
Energy: 0.5538776253393599
Energy: 0.5515117834294121
Energy: 0.5523109707207219
Energy: 0.5859016835876472
Energy: 0.579720025018847
Energy: 0.5806064808271765
Energy: 0.5759701561835046
Energy: 0.5805649730730209
Energy: 0.5680131089220524
Energy: 0.6068931470012133
Energy: 0.5661022737845809
Energy: 0.5664850875114348
Energy: 0.6083048509696358
Energy: 0.5660767635349682
Energy: 0.5667504538914063
Energy: 0.5862470309701528
Energy: 0.5790797343817004
Energy: 0.5707905094023887
Energy: 0.5686054659132448
Energy: 0.5810706245390863
Energy: 0.5695527581131075
Energy: 0.9410459189857192
Energy: 0.5546706467054471
Energy: 0.5536042907283548
Energy: 0.5720705840181645
Energy: 0.5586491842717893
Energy: 0.5752937377121174
Energy: 0.6572226245207318
Energy: 0.5541323046036958
Energy: 0.5557552075004435
Energy: 0.5808390730990998
Energy: 0.5730413972975406
Energy: 0.5579950419533831
Energy: 0.590078324983253
Energy: 0.5708708802044283
Energy: 0.55182405898575
Energy: 0.5674524095201174
Energy: 0.5514827652422939
Energy: 0.569749301889672
Energy: 0.5876751920197568
Energy: 0.5520868756784305
Energy: 0.5518790505492162
Energy: 0.5689015200099345
Energy: 0.5535558217988484
Energy: 0.5527503720719081
Energy: 0.5542185144590465
Energy: 0.5576364035108519
Energy: 0.5575906377498173
Energy: 0.5553112460401233
Energy: 0.5588321942619359
Energy: 0.5585066717063173
Energy: 0.6247706668675888
Energy: 0.5653656623895406
Energy: 0.5952798095548903
Energy: 0.5983186800576036
Energy: 0.5653381757753375
Energy: 0.595763337423948
Energy: 0.584347110830965
Energy: 0.5669776643482836
Energy: 0.571975389835444
Energy: 0.573898966959483
Energy: 0.5666711052609038
Energy: 0.5716687908482156
Energy: 0.6991760448113028
Energy: 0.5563550717638902
Energy: 0.5519805169348793
Energy: 0.5516305023208212
Energy: 0.5569244439286019
Energy: 0.5521063235120701

minimum gb energy = 0.5508400241931927 eV
minimum distance =  2.39052322943508 Angstroms
sigma value = 67


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

Energy: 0.8641925964103002
Energy: 0.626220874054354
Energy: 0.625180981170929
Energy: 0.6247893001297865
Energy: 0.6313893755562523
Energy: 0.6235867089960216
Energy: 0.653812272862011
Energy: 0.5987649409478952
Energy: 0.5983011559226961
Energy: 0.598311336606742
Energy: 0.5990169401870604
Energy: 0.5979863002879946
Energy: 0.615413903213733
Energy: 0.5793394327007787
Energy: 0.5940924387783539
Energy: 0.5953870512954633
Energy: 0.576138926780776
Energy: 0.5938264073619809
Energy: 0.61586888468252
Energy: 0.5938806277650045
Energy: 0.5936301176339448
Energy: 0.5930928523614567
Energy: 0.5961534327821165
Energy: 0.5937151566774357
Energy: 0.6256287084018126
Energy: 0.5990059400281673
Energy: 0.5995722009574938
Energy: 0.6256205347663705
Energy: 0.5993459785607982
Energy: 0.6000630324406854
Energy: 0.6271266709153435
Energy: 0.6024741196242963
Energy: 0.6016901119136667
Energy: 0.6271979795384629
Energy: 0.6020670654889801
Energy: 0.6022561505410053
Energy: 0.6538635448961728
Energy: 0.5988599662254888
Energy: 0.5989769779192572
Energy: 0.5725462818636345
Energy: 0.5994117846645608
Energy: 0.5986286913627953

minimum gb energy = 0.5725462818636345 eV
minimum distance =  2.42237436278002 Angstroms
sigma value = 3


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

Energy: 0.9486782307126179
Energy: 0.7616944286398569
Energy: 0.6586350315520466
Energy: 0.6552466725116752
Energy: 1.0949375821774225
Energy: 0.6860396299774686
Energy: 0.710218480746522
Energy: 0.7058330719340419
Energy: 0.6936290507350463
Energy: 0.6823161165327758
Energy: 0.7075861787167398
Energy: 0.6748706374268597
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Energy: 0.7052059787354175
Energy: 0.7036198032641555
Energy: 0.6719629710046028
Energy: 0.7051258621023466
Energy: 0.7443924853934716
Energy: 0.7348202911893095
Energy: 0.6916747037198838
Energy: 0.6823674033506263
Energy: 0.67871239104214
Energy: 0.7007649580687363
Energy: 0.6831743337310003
Energy: 0.7197561791632924
Energy: 0.6630682176468294
Energy: 0.7334379269716241
Energy: 0.7211312787203344
Energy: 0.7213323915790671
Energy: 0.6604251596935727
Energy: 0.7221576030230676
Energy: 0.7213341189940138
Energy: 0.7194150796871115
Energy: 0.7267147609335367
Energy: 0.7211636948602856
Energy: 0.7212785453511334
Energy: 0.727741227803071
Energy: 0.676040866409128
Energy: 0.7294727238456038
Energy: 0.7246184181593543
Energy: 0.6702466166118434
Energy: 0.7273138694326995
Energy: 0.8517902656737183
Energy: 0.7686242984337471
Energy: 0.7270422578455181
Energy: 0.7031361674365484
Energy: 0.7578092272826261
Energy: 0.7484699896257444
Energy: 0.7315942652774708
Energy: 0.7334973277636733
Energy: 0.7618667414224063
Energy: 0.7334402657956358
Energy: 0.7278580363533188
Energy: 0.7513602777578245
Energy: 0.7401576909072477
Energy: 0.6874906547950911
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Energy: 0.7564361057580924
Energy: 0.6888854440120868
Energy: 0.7076365654276
Energy: 0.7435750301907518
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Energy: 0.7011494695821205
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Energy: 0.7421379895815919
Energy: 0.7552271068127919
Energy: 0.7226744693081731
Energy: 0.7245278403047279
Energy: 0.723652029681555
Energy: 0.7201288496427894
Energy: 0.7260748136836329
Energy: 0.7034488749736222
Energy: 0.725764209260068
Energy: 0.7294605508043945
Energy: 0.685419575977359
Energy: 0.7238121838222954
Energy: 0.7267443388383911
Energy: 0.7553929984219242
Energy: 0.7361866358030166
Energy: 0.7335527438867913
Energy: 0.7288246724864841
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Energy: 0.7349398620124056
Energy: 0.7324193540505304
Energy: 0.7758221938501256
Energy: 0.7705790794915386
Energy: 0.6964884270429109
Energy: 0.7753407100382117
Energy: 0.7265774843774659
Energy: 0.7547847289991072
Energy: 0.7629673061048996
Energy: 0.755136526202688
Energy: 0.7549635620902557
Energy: 0.755797459947655
Energy: 0.7522755037887962
Energy: 0.8263020190814766
Energy: 0.7085219418468809
Energy: 0.7080955636767656
Energy: 0.8258985571214692
Energy: 0.7075724481933446
Energy: 0.694432988178172
Energy: 0.763477669404223
Energy: 0.7274621463426963
Energy: 0.7652672432079198
Energy: 0.7206524383640066
Energy: 0.6928825423482182
Energy: 0.7506889880103897
Energy: 0.7879211628454833
Energy: 0.7557741916402223
Energy: 0.7489783623810028
Energy: 0.740971892138968
Energy: 0.7665352412063577
Energy: 0.7491954440939517
Energy: 0.7552008449085579
Energy: 0.754078295255798
Energy: 0.75929453833909
Energy: 0.7445468023565105
Energy: 0.7679296044178903
Energy: 0.7528882660123215
Energy: 0.7235450377280928
Energy: 0.7202870599502017
Energy: 0.7292689076042171
Energy: 0.7142798720851048
Energy: 0.734144627029939
Energy: 0.7228569864034113
Energy: 0.7244417595425804
Energy: 0.7180899980263226
Energy: 0.7128462001116316
Energy: 0.7164102341363932
Energy: 0.7170116703317898
Energy: 0.7121780907864144
Energy: 0.7312517000741336
Energy: 0.716339480746154
Energy: 0.7203723598313493
Energy: 0.7317486360229637
Energy: 0.715945650015012
Energy: 0.719317547576594
Energy: 0.7228537847600336
Energy: 0.7056956407966786
Energy: 0.702139669894574
Energy: 0.720904579021055
Energy: 0.7031402778115283
Energy: 0.7476436620003654
Energy: 0.7759419623737329
Energy: 0.756354741729489
Energy: 0.7473126929738947
Energy: 0.7476482313056708
Energy: 0.755760544853399
Energy: 0.7472501695862489
Energy: 0.7854186611570961
Energy: 0.7607196899661667
Energy: 0.6669804489411161
Energy: 0.6717593608561607
Energy: 0.7805908126761875
Energy: 0.6806453617559245
Energy: 0.6540409621442914
Energy: 0.7608649633080782
Energy: 0.6884441148501691
Energy: 0.6825324648291738
Energy: 0.7822695249248354
Energy: 0.6812776486702932
Energy: 0.722647326785629
Energy: 0.7486815410968813
Energy: 0.7479992751259733
Energy: 0.7730085015531789
Energy: 0.7661887935824947
Energy: 0.7480338462834596
Energy: 0.7359493599044129
Energy: 0.7066519649676269
Energy: 0.7048258831092923
Energy: 0.7343444603402638
Energy: 0.7096364945669231
Energy: 0.7439944384668775
Energy: 0.7422584072195372
Energy: 0.7240572286326934
Energy: 0.7230295807207967
Energy: 0.7430976393782216
Energy: 0.7697147300252218
Energy: 0.7457564553648706
Energy: 0.7232610292284418
Energy: 0.7276720280146389
Energy: 0.7269481646310593
Energy: 0.7243921780677322
Energy: 0.7742501385325811
Energy: 0.7250822939462722
Energy: 0.74056445783116
Energy: 0.7227455031960028
Energy: 0.723184436267477
Energy: 0.7202937438088846
Energy: 0.7190463951127039
Energy: 0.735519462103571
Energy: 0.7955804622577531
Energy: 0.754562470942851
Energy: 0.7497942279166352
Energy: 0.7318485945006019
Energy: 0.7263520491118266
Energy: 0.7244695178542346
Energy: 0.7579915449231918
Energy: 0.7539113864897075
Energy: 0.7420138923101861
Energy: 0.7262997575337864
Energy: 0.7593796944982435
Energy: 0.744464705883681
Energy: 0.7213652167322151
Energy: 0.7226145959437036
Energy: 0.7081014646282764
Energy: 0.729444211993511
Energy: 0.7093059827035455
Energy: 0.7239201602002615
Energy: 0.7589643213608713
Energy: 0.7490760023899524
Energy: 0.7487001546282223
Energy: 0.7577316914742602
Energy: 0.6890399952616462
Energy: 0.7127199016775949
Energy: 0.7533884256823585
Energy: 0.7321492952494344
Energy: 0.7318461994675989
Energy: 0.7197108596822114
Energy: 0.7306761087876799
Energy: 0.7344543097183596
Energy: 0.7042398852357599
Energy: 0.7270311779786485
Energy: 0.7280256371166368
Energy: 0.6922956994244671
Energy: 0.726924991235676
Energy: 0.7265930420089491
Energy: 0.7433530865796362
Energy: 0.7395878196859611
Energy: 0.7430446345867492
Energy: 0.7204821059425024
Energy: 0.7374271719235795
Energy: 0.732781996920567
Energy: 0.731732445291261
Energy: 0.7277111175209502
Energy: 0.7269982740225349
Energy: 0.698532489472637
Energy: 0.7876668134934467
Energy: 0.7636869292382739
Energy: 0.8164725389214108
Energy: 0.7492204573783268
Energy: 0.7538374622782759
Energy: 0.7533826814221893
Energy: 0.7419327253605768
Energy: 0.7552427845001732
Energy: 0.8146558895183792
Energy: 0.69382578969105
Energy: 0.6957276116089309
Energy: 0.7428085211241429
Energy: 0.7047233401482801
Energy: 0.7750396545179138
Energy: 0.8138017701342678
Energy: 0.724178970689453
Energy: 0.7131692419748861
Energy: 0.7778271425372816
Energy: 0.7242401880785596
Energy: 0.7230696546060187
Energy: 0.7320944800628197
Energy: 0.7592739088729755
Energy: 0.7520738241359964
Energy: 0.7488048225480226
Energy: 0.7550251191506797
Energy: 0.7510785797762991
Energy: 1.0117629767110556
Energy: 0.7068454845391057
Energy: 0.7749796851005115
Energy: 0.7530381406134388
Energy: 0.7091008776911618
Energy: 0.774416722655148
Energy: 0.7310599351630743
Energy: 0.7204677171119768
Energy: 0.7154929539546195
Energy: 0.7155643992395018
Energy: 0.6631262975119092
Energy: 0.716933894448548
Energy: 0.7232006878990058
Energy: 0.7122886683385233
Energy: 0.7102748876323434
Energy: 0.7130575977398877
Energy: 0.7092100919433616
Energy: 0.714099344138507
Energy: 0.7219905483455801
Energy: 0.6496739821675457
Energy: 0.7279591264353531
Energy: 0.7198804580124971
Energy: 0.7166181155780063
Energy: 0.6569570312225661
Energy: 0.7213510181548972
Energy: 0.7388068409920255
Energy: 0.691888027899722
Energy: 0.6653250557560438
Energy: 0.730932338733717
Energy: 0.6891690657275836
Energy: 0.7864463659252715
Energy: 0.7377325917818826
Energy: 0.7348080066212913
Energy: 0.6845931974695886
Energy: 0.7300594403808328
Energy: 0.683165216724508
Energy: 0.7081927829108957
Energy: 0.6977012753978922
Energy: 0.6910223397765631
Energy: 0.6767110308971184
Energy: 0.7023232459431664
Energy: 0.6781604750987102

minimum gb energy = 0.6496739821675457 eV
minimum distance =  2.36675762459997 Angstroms
sigma value = 81


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

Energy: 1.2010527336231567
Energy: 0.6623154913698385
Energy: 0.6104735462554429
Energy: 0.6702391217309801
Energy: 0.6902834265761761
Energy: 0.6607586926208027
Energy: 0.6517321457082559
Energy: 0.6500984303767124
Energy: 0.6486986861320964
Energy: 0.642909931866235
Energy: 0.6490824367518487
Energy: 0.6445513753981368
Energy: 0.7159997517949434
Energy: 0.6544908999119964
Energy: 0.6529657154904092
Energy: 0.6552144532961156
Energy: 0.6555530514892259
Energy: 0.727083966567727
Energy: 0.7131888920350646
Energy: 0.65307501976909
Energy: 0.6943843457874519
Energy: 0.714632406991718
Energy: 0.6524539097770947
Energy: 0.6394226879881901
Energy: 0.7098115975356819
Energy: 0.6964787211233472
Energy: 0.7008403154385194
Energy: 0.7112775612020251
Energy: 0.6986324478011381
Energy: 0.696601775144826
Energy: 0.7129035738252302
Energy: 0.7297841363967026
Energy: 0.6999430313099513
Energy: 0.7019677042624116
Energy: 0.7298102831859108
Energy: 0.6983490089822313
Energy: 0.7104092259243212
Energy: 0.6912500609189522
Energy: 0.6898893046291356
Energy: 0.7321217300352314
Energy: 0.7090906107674885
Energy: 0.7043356726154995
Energy: 0.7560899071762077
Energy: 0.8376255159448999
Energy: 0.7782091632965015
Energy: 0.6647729530546054
Energy: 0.7499456993176078
Energy: 0.6660557008492168
Energy: 0.7091968323457947
Energy: 0.736708501679905
Energy: 0.6920389339630836
Energy: 0.732651639270817
Energy: 0.7388392752134231
Energy: 0.6994915611898309
Energy: 0.7583351767465453
Energy: 0.6116579517376339
Energy: 0.6114337986083135
Energy: 0.752936589792015
Energy: 0.6118274964924478
Energy: 0.6101130998236708
Energy: 0.718620341611218
Energy: 0.6787233602688882
Energy: 0.678287306325556
Energy: 0.702250103128882
Energy: 0.6127993662642898
Energy: 0.6971614530767338
Energy: 0.6620362580208606
Energy: 0.738366697591847
Energy: 0.7375267479266684
Energy: 0.6575266237549879
Energy: 0.7363837999308631
Energy: 0.739068562228286
Energy: 0.6615990696619344
Energy: 0.7099447043782257
Energy: 0.7099811408260792
Energy: 0.6554526225234498
Energy: 0.7151507556737171
Energy: 0.6538244457517145
Energy: 0.7174038676732409
Energy: 0.7007343651712682
Energy: 0.701118991111416
Energy: 0.7048726116197981
Energy: 0.7097580146195522
Energy: 0.6974778819549605
Energy: 0.7847545780922572
Energy: 0.7014269199296557
Energy: 0.7035214449278352
Energy: 0.702894880965686
Energy: 0.7062638178710728
Energy: 0.7039389083951483
Energy: 0.7209219054176755
Energy: 0.7409577992379066
Energy: 0.7418506504694398
Energy: 0.720625119754002
Energy: 0.7403477440300289
Energy: 0.705454140422942
Energy: 0.7995562388566301
Energy: 0.6640780646451693
Energy: 0.6645918631292532
Energy: 0.800569150457468
Energy: 0.6639188556947866
Energy: 0.6654679330862788
Energy: 0.7065047464813837
Energy: 0.7336116030431193
Energy: 0.7389930127909091
Energy: 0.7405250800532708
Energy: 0.7345772565821911
Energy: 0.7374717021740241
Energy: 0.7445850836335436
Energy: 0.7030176388209035
Energy: 0.6151338555098385
Energy: 0.6703633941798135
Energy: 0.7073373957501998
Energy: 0.6144089585115367
Energy: 0.7645886159578537
Energy: 0.7035040295346425
Energy: 0.6130947790010483
Energy: 0.6760292682077779
Energy: 0.7036859541851288
Energy: 0.6141245370702227
Energy: 0.7049008340889301
Energy: 0.6966086312089427
Energy: 0.6948716130325951
Energy: 0.7381529376431964
Energy: 0.707851006411552
Energy: 0.7370343643379486
Energy: 0.7175823255517971
Energy: 0.6531702632189048
Energy: 0.6540222658461229
Energy: 0.7117127903840627
Energy: 0.6528277231117362
Energy: 0.6539650105451869
Energy: 0.7127707137943093
Energy: 0.6945045787436981
Energy: 0.6940545271166848
Energy: 0.7133851779470752
Energy: 0.6949195932496992
Energy: 0.6966904909369908
Energy: 0.7166830130734883
Energy: 0.7019967012946127
Energy: 0.7017161010104656
Energy: 0.7024384504724702
Energy: 0.7058225314616442
Energy: 0.7020390582984034
Energy: 0.7118832621733097
Energy: 0.7021733330466955
Energy: 0.7437670423913253
Energy: 0.7371763845416583
Energy: 0.6976365478634801
Energy: 0.7433322472033002
Energy: 0.7519952919100389
Energy: 0.7380880933321285
Energy: 0.738352668023607
Energy: 0.6614487556061394
Energy: 0.7367229793720683
Energy: 0.7361719570176327
Energy: 0.7511210422354241
Energy: 0.7990143602898673
Energy: 0.7976651729520967
Energy: 0.6685129759344616
Energy: 0.797315299127605
Energy: 0.7984019116124493
Energy: 0.7124437216495164
Energy: 0.6677743519986907
Energy: 0.7385620943658368
Energy: 0.7406741435988816
Energy: 0.6119487049813831
Energy: 0.7383627251659504
Energy: 0.7185397238560113
Energy: 0.612499952374873
Energy: 0.6097519560664306
Energy: 0.704333395549901
Energy: 0.6125835520992721
Energy: 0.610018675969222
Energy: 0.7160625735288298
Energy: 0.7562635451409314
Energy: 0.6888380176294487
Energy: 0.7123550222060357
Energy: 0.7382266048178624
Energy: 0.6942169677608167
Energy: 0.6614203816205239
Energy: 0.7394937252478831
Energy: 0.7313896396948675
Energy: 0.6511999024294585
Energy: 0.7864021683410137
Energy: 0.6549561714665494
Energy: 0.7171953191796165
Energy: 0.7036498909209308
Energy: 0.6878465217443085
Energy: 0.7008318170887896
Energy: 0.7079699614943903
Energy: 0.6893662394180183
Energy: 0.7842819295450606
Energy: 0.6943074764492552
Energy: 0.6918744478123515
Energy: 0.7619219024001825
Energy: 0.692446465929493
Energy: 0.6946889026367519
Energy: 0.7857034633083291
Energy: 0.7010157462458256
Energy: 0.7232227971965377
Energy: 0.7403210169087513
Energy: 0.7263784375518001
Energy: 0.7276703565398619
Energy: 0.7849071563112003
Energy: 0.6602921075843251
Energy: 0.7381520448131011
Energy: 0.741302790463902
Energy: 0.7021103709381005
Energy: 0.6709844708627086
Energy: 0.790611864009891
Energy: 0.6628627557556532
Energy: 0.6629859358980954
Energy: 0.7059084389662571
Energy: 0.6623869825773826
Energy: 0.7955355518482649
Energy: 0.7246354809297676
Energy: 0.6712200984042702
Energy: 0.6674429123793971
Energy: 0.639707069044587
Energy: 0.6654975952040403
Energy: 0.6569223769598911
Energy: 0.7779599272283543
Energy: 0.6460470755149853
Energy: 0.6102812940798692
Energy: 0.6117611828253465
Energy: 0.6674269668792784
Energy: 0.6615266736220136

minimum gb energy = 0.6097519560664306 eV
minimum distance =  2.3674788139468 Angstroms
sigma value = 43


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

Energy: 0.9587599626078013
Energy: 0.755158274790079
Energy: 0.64700726246572
Energy: 0.6463668344677049
Energy: 0.7792197305067512
Energy: 0.6464645057879825
Energy: 0.6217811899481984
Energy: 0.637046187177451
Energy: 0.6407753045189619
Energy: 0.6836120209840997
Energy: 0.6344885331664926
Energy: 0.6739624971171132
Energy: 0.6315321740450819
Energy: 0.6860036012546098
Energy: 0.6859635342147584
Energy: 0.6347970543456966
Energy: 0.6885371720493519
Energy: 0.7315207084650879
Energy: 0.6314962452844479
Energy: 0.6240340256157539
Energy: 0.6331363721674895
Energy: 0.63146330048351
Energy: 0.6301786949702801
Energy: 0.6271774214293042
Energy: 0.6316844403748614
Energy: 0.6267429943332071
Energy: 0.623610012178243
Energy: 0.6342651941421141
Energy: 0.6249419373720064
Energy: 0.625646637997605
Energy: 0.6319780037875682
Energy: 0.6247267699058573
Energy: 0.6278761290745851
Energy: 0.6241383888193497
Energy: 0.6253066529782976
Energy: 0.6250465058293256
Energy: 0.6317705736940885
Energy: 0.6314118260853064
Energy: 0.6307852806190415
Energy: 0.6277913738511426
Energy: 0.6325759865473255
Energy: 0.627046236978181
Energy: 0.7164964734419415
Energy: 0.6327959193741811
Energy: 0.6329364212030052
Energy: 0.6647593344967527
Energy: 0.6334259092935968
Energy: 0.6342202973738473
Energy: 0.6326217960252098
Energy: 0.6849722437056964
Energy: 0.6861686569062961
Energy: 0.630791530688462
Energy: 0.6859957865444013
Energy: 0.6759265551200888
Energy: 0.7561298528183691
Energy: 0.6370224200183325
Energy: 0.6370578533329262
Energy: 0.6842901106028062
Energy: 0.6344102685131272
Energy: 0.637049369268568
Energy: 0.6593648348748863
Energy: 0.6606225022419953
Energy: 0.6521013200716047
Energy: 0.6342612726760414
Energy: 0.6443692898431796
Energy: 0.6429430498286307
Energy: 0.6397131712066523
Energy: 0.6304599007988086
Energy: 0.6874581877245081
Energy: 0.6305178722624738
Energy: 0.6299937730231244
Energy: 0.6855846138541161
Energy: 0.7455847112527901
Energy: 0.6320672901221737
Energy: 0.6402009184883138
Energy: 0.6817122536118968
Energy: 0.6316689322597664
Energy: 0.6396797447179035
Energy: 0.6585243599607714
Energy: 0.6384107565792673
Energy: 0.6398506331714645
Energy: 0.6339242271596345
Energy: 0.6317572975627127
Energy: 0.6409457234182858
Energy: 0.6569821028693351
Energy: 0.6408601592792433
Energy: 0.6433408812980871
Energy: 0.6398108216114384
Energy: 0.6257751171731528
Energy: 0.6416338196230484
Energy: 0.6594830311008879
Energy: 0.6250569315964999
Energy: 0.6423603336739299
Energy: 0.6595511585173791
Energy: 0.6260501922284007
Energy: 0.6342429065412537
Energy: 0.6572403529060405
Energy: 0.6623388870805936
Energy: 0.6611796538237877
Energy: 0.6585304157505887
Energy: 0.657245465008652
Energy: 0.6484000768853717
Energy: 0.6579949205875093
Energy: 0.6599485209147444
Energy: 0.6701273426766282
Energy: 0.6534483673167883
Energy: 0.6778932329586838
Energy: 0.6678838515053644
Energy: 0.6349900992229783
Energy: 0.6598587891726367
Energy: 0.6642970803920569
Energy: 0.6395825907305513
Energy: 0.6568847214912026
Energy: 0.6358333587582669
Energy: 0.7504471399045608
Energy: 0.6618398370541962
Energy: 0.6677141359725034
Energy: 0.643697903204178
Energy: 0.6614346146775382
Energy: 0.694524015726545
Energy: 0.6584627701588476
Energy: 0.6619087088830232
Energy: 0.661511454989863
Energy: 0.6538177289393715
Energy: 0.643269253683783
Energy: 0.6579727856462004
Energy: 0.7005006614847133
Energy: 0.6469026901657473
Energy: 0.704258975865317
Energy: 0.7002600404825974
Energy: 0.6392470131675526
Energy: 0.7366765744118409
Energy: 0.6509613699442665
Energy: 0.6545751156029284
Energy: 0.6571130000640716
Energy: 0.6569932026808736
Energy: 0.6537669314780182
Energy: 0.6634220242267146
Energy: 0.6871267919490776
Energy: 0.6674927527436206
Energy: 0.6513432368706106
Energy: 0.6369135014069233
Energy: 0.6724372796424988
Energy: 0.67574417026754
Energy: 0.6503491867575423
Energy: 0.6596047419195097
Energy: 0.6635941477723569
Energy: 0.6597546997314165
Energy: 0.660169530748986
Energy: 0.6671404956051028
Energy: 0.6661604550003491
Energy: 0.6408925349321363
Energy: 0.6427865101474407
Energy: 0.6436365609999143
Energy: 0.6349454020846835
Energy: 0.6434873526590534
Energy: 0.6654630369654937
Energy: 0.6415199859738107
Energy: 0.6433234929996008
Energy: 0.6417259570882977
Energy: 0.6419997218547204
Energy: 0.641884063226124
Energy: 0.6611039563920017
Energy: 0.6432190069532824
Energy: 0.6398744800322232
Energy: 0.6308039756273696
Energy: 0.6403557186611181
Energy: 0.631280513694475
Energy: 0.6294756169128829
Energy: 0.6928779774973793
Energy: 0.6377598819747715
Energy: 0.6293734404494825
Energy: 0.6658907124326872
Energy: 0.6367270295654167
Energy: 0.6310056173258242
Energy: 0.6350475101453279
Energy: 0.6406735752205069
Energy: 0.6839300315137928
Energy: 0.6338749935150316
Energy: 0.6321556470359011
Energy: 0.6415827886459579
Energy: 0.6906045813953773
Energy: 0.649240300677175
Energy: 0.6446194871678674
Energy: 0.6895979245631482
Energy: 0.6504204584865253

minimum gb energy = 0.6217811899481984 eV
minimum distance =  2.35926598437128 Angstroms
sigma value = 57


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

Energy: 0.7955507760407832
Energy: 0.6494369364286063
Energy: 0.6500785692658546
Energy: 0.6199923808250584
Energy: 0.7389098172908968
Energy: 0.7719469077442241
Energy: 0.6045113122867771
Energy: 0.619533393102192
Energy: 0.6248948668660975
Energy: 0.6777817722969388
Energy: 0.6690108344977826
Energy: 0.6236526519726732
Energy: 0.6619462322454219
Energy: 0.6156811123291439
Energy: 0.6148465810342774
Energy: 0.6501900676431278
Energy: 0.6152973412967533
Energy: 0.5980875170899843
Energy: 0.6602146592825503
Energy: 0.6130536559152936
Energy: 0.6120588145388012
Energy: 0.6605644645560347
Energy: 0.6121650087788428
Energy: 0.6196526553346837
Energy: 0.6242087229797942
Energy: 0.6124865661759809
Energy: 0.6163271846402593
Energy: 0.6177921253890616
Energy: 0.6220041934196106
Energy: 0.6156032738067103
Energy: 0.6309583824945352
Energy: 0.6184770997062619
Energy: 0.6119081496861802
Energy: 0.6186710507474805
Energy: 0.6110575251843523
Energy: 0.6138168098774038
Energy: 0.6763700040672239
Energy: 0.6639865849131529
Energy: 0.636110258100442
Energy: 0.6378345719612021
Energy: 0.661616422491286
Energy: 0.6180426776528172
Energy: 0.6250964833789197
Energy: 0.6694601362367932
Energy: 0.6202418771270504
Energy: 0.6213128471151244
Energy: 0.6400826654366378
Energy: 0.648176149420985
Energy: 0.674044499756354
Energy: 0.6616267308718324
Energy: 0.6202007753777371
Energy: 0.6749275914641588
Energy: 0.6637062061719775
Energy: 0.6192159960735993
Energy: 0.7115596284928617
Energy: 0.6235655688191047
Energy: 0.6335303164404356
Energy: 0.6507202532375628
Energy: 0.6231905243038736
Energy: 0.6342814789234141
Energy: 0.6578813805169852
Energy: 0.6272490098241168
Energy: 0.6186350217300888
Energy: 0.6751058442221244
Energy: 0.6275456639164394
Energy: 0.6190801784591603
Energy: 0.6345152638006447
Energy: 0.6576162680614922
Energy: 0.6576241513193689
Energy: 0.6122233885762183
Energy: 0.6612628026152493
Energy: 0.6496006408547287
Energy: 0.6064917243618401
Energy: 0.6492222238269524
Energy: 0.642233300817046
Energy: 0.6177422149461524
Energy: 0.6480241828409445
Energy: 0.6425283932220308
Energy: 0.6581999398994522
Energy: 0.6272309506447392
Energy: 0.6232437031803889
Energy: 0.6643558336103549
Energy: 0.6693664220359763
Energy: 0.6200815625048438
Energy: 0.6589898193946058
Energy: 0.6102867358142998
Energy: 0.6182152762528659
Energy: 0.6478176813617453
Energy: 0.6208227958572143
Energy: 0.6314597042209921
Energy: 0.6612189231631407
Energy: 0.6181904191535789
Energy: 0.6343359720603342
Energy: 0.6615786026742029
Energy: 0.6192687804478191
Energy: 0.6347445704669077
Energy: 0.6254888475202147
Energy: 0.6139972036230466
Energy: 0.614714980722287
Energy: 0.6205534224302993
Energy: 0.6196508389508596
Energy: 0.6138415463007014
Energy: 0.6252083029646762
Energy: 0.6218424937955965
Energy: 0.615429600077487
Energy: 0.618412646328809
Energy: 0.6201602781805595
Energy: 0.6156620871634457
Energy: 0.6785291803791259
Energy: 0.6614133402114752
Energy: 0.6520905636134691
Energy: 0.623169413598099
Energy: 0.660149919782306
Energy: 0.6192179226113159
Energy: 0.6787503061739085
Energy: 0.6502842926864401
Energy: 0.6513906148812012
Energy: 0.6233633152187351
Energy: 0.648723914766032
Energy: 0.6525722041903178
Energy: 0.6742308744585195
Energy: 0.6670593363899484
Energy: 0.6271310095888224
Energy: 0.6750684049340238
Energy: 0.6674960713321851
Energy: 0.6221158743747872
Energy: 0.7506498162290898
Energy: 0.6406102408642255
Energy: 0.6232943265194426
Energy: 0.6995620897993956
Energy: 0.6408128838138321
Energy: 0.6239796955358861
Energy: 0.6582849639655598
Energy: 0.665866312317759
Energy: 0.6263563714969755
Energy: 0.6744245529785404
Energy: 0.663590997988094
Energy: 0.6256771905075288
Energy: 0.6063746881082321
Energy: 0.6490714340788408
Energy: 0.6421898589720016
Energy: 0.6079752290592183
Energy: 0.6551656977087447
Energy: 0.6423913389098219

minimum gb energy = 0.5980875170899843 eV
minimum distance =  2.36146892427094 Angstroms
sigma value = 17


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

Energy: 0.6106169394647424
Energy: 0.7663600549575469
Energy: 0.7681394884693112
Energy: 0.6453202718931159
Energy: 0.7119136245084648
Energy: 0.6084849546884507
Energy: 0.6372212224636296
Energy: 0.6874538075389853
Energy: 0.6079809494669819
Energy: 0.7009894149082643
Energy: 0.6960239013338286
Energy: 0.5950649810447193
Energy: 0.6547229316782824
Energy: 0.5816534704101065
Energy: 0.5848284424920508
Energy: 0.663544473028399
Energy: 0.580774985588595
Energy: 0.5867028834213824
Energy: 0.6845811277817918
Energy: 0.5808585847898812
Energy: 0.5844173784255642
Energy: 0.684646177189938
Energy: 0.5850623133804483
Energy: 0.6333545104152136
Energy: 0.6275687850015688
Energy: 0.5762760933757147
Energy: 0.5714037117406273
Energy: 0.6285823383617132
Energy: 0.576207941285747
Energy: 0.5719266908695914
Energy: 0.6084156843602023
Energy: 0.5786021326653836
Energy: 0.5761790291281118
Energy: 0.5598417595886065
Energy: 0.6227030768850894
Energy: 0.5580461699648825
Energy: 0.6253717831392555
Energy: 0.6214549941948441
Energy: 0.592949215768305
Energy: 0.6054425066347954
Energy: 0.6237619544014389
Energy: 0.5549077464603211
Energy: 0.5876513903998297
Energy: 0.5558995445760017
Energy: 0.556011312002804
Energy: 0.5566292379211011
Energy: 0.5554416708976816
Energy: 0.5568904323046606
Energy: 0.6220649436313109
Energy: 0.5545178464259595
Energy: 0.5548416382462972
Energy: 0.6233150538750876
Energy: 0.5553907453287011
Energy: 0.5547969690036549
Energy: 0.6245189280806993
Energy: 0.5769236072554791
Energy: 0.5764966876153753
Energy: 0.6222931240621308
Energy: 0.5770730666605008
Energy: 0.5760065011454467
Energy: 0.571169391688957
Energy: 0.5702848333352977
Energy: 0.5723629693801454
Energy: 0.5769694271663084
Energy: 0.7070183881893504
Energy: 0.5716987098245064
Energy: 0.6283841026797525
Energy: 0.6894368577027533
Energy: 0.6856996262044254
Energy: 0.5628950006793357
Energy: 0.684784923393902
Energy: 0.6339801174504077
Energy: 0.6068281522122397
Energy: 0.6679434815161559
Energy: 0.6672906577186816
Energy: 0.5763551420459025
Energy: 0.6673462620574079
Energy: 0.6588754043099705
Energy: 0.7001325849692244
Energy: 0.6885065736691216
Energy: 0.5998623572553715
Energy: 0.6940204366345291
Energy: 0.6946773811262688
Energy: 0.5953595896432435
Energy: 0.7105815190968962
Energy: 0.6658283647829167
Energy: 0.6743167840574776
Energy: 0.685980836932357
Energy: 0.6658717294244544
Energy: 0.6740497510213661
Energy: 0.6587209023529864
Energy: 0.698592369858971
Energy: 0.6061024204125305
Energy: 0.6956956474611552
Energy: 0.6976246926172088
Energy: 0.6850689311728654
Energy: 0.6034184668845372
Energy: 0.6676015376722717
Energy: 0.7160925861395273
Energy: 0.6141505717688818
Energy: 0.6640472721734442
Energy: 0.7341246425525981

minimum gb energy = 0.5545178464259595 eV
minimum distance =  2.33147698447924 Angstroms
sigma value = 17


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

Energy: 0.5739487276754671
Energy: 0.7007596888446607
Energy: 0.6082231913480889
Energy: 0.5664599318676842
Energy: 0.9212740314930998
Energy: 0.6049417755863845
Energy: 0.63638614625952
Energy: 0.6590724526721826
Energy: 0.542565694515186
Energy: 0.6956477003552062
Energy: 0.6641052015294694
Energy: 0.5678008575645423
Energy: 0.8215559015664249
Energy: 0.5216854165094346
Energy: 0.5585644452268874
Energy: 0.6601504344812291
Energy: 0.5213835384174926
Energy: 0.5626173751214273
Energy: 0.690083199904736
Energy: 0.5578427160070316
Energy: 0.5576400801358617
Energy: 0.6910840252908993
Energy: 0.5263145547428701
Energy: 0.598782060364379
Energy: 0.6065488293204869
Energy: 0.5437517912390778
Energy: 0.5451596720067131
Energy: 0.6076567892979815
Energy: 0.5429557332500801
Energy: 0.5391307570064234
Energy: 0.5942912816443388
Energy: 0.5378286202009778
Energy: 0.518022786692561
Energy: 0.52019656424413
Energy: 0.5983230380167122
Energy: 0.518895652272053
Energy: 0.5616535266814574
Energy: 0.6053477899577119
Energy: 0.5985437158925963
Energy: 0.5138450755010099
Energy: 0.60136161214357
Energy: 0.5140088873720541
Energy: 0.5741279041845109
Energy: 0.5050170016966562
Energy: 0.5108934940962405
Energy: 0.5165684640799404
Energy: 0.5075906407321609
Energy: 0.5105447883795181
Energy: 0.5628557485638743
Energy: 0.5114674577497788
Energy: 0.5158943731964628
Energy: 0.5636890200569534
Energy: 0.5126357354975786
Energy: 0.5621210596323738
Energy: 0.5618103692596107
Energy: 0.511203503735765
Energy: 0.5112725872494274
Energy: 0.5617432343043373
Energy: 0.5106867931641527
Energy: 0.5110380784834364
Energy: 0.5747531073964831
Energy: 0.5088200482888408
Energy: 0.5102343951416854
Energy: 0.5096278538731839
Energy: 0.5617549586301199
Energy: 0.5102248132012593
Energy: 0.5648457773050658
Energy: 0.5623647301534078
Energy: 0.5623323918924766
Energy: 0.5742257497214279
Energy: 0.5661533703827368
Energy: 0.5177357302495765
Energy: 0.575496107567361
Energy: 0.5107927830486138
Energy: 0.51073889579947
Energy: 0.5121387562853603
Energy: 0.5230923034012133
Energy: 0.5110404710700014
Energy: 0.5990121911882492
Energy: 0.5142023473696608
Energy: 0.5138776552948388
Energy: 0.5992604541316414
Energy: 0.5129905453923788
Energy: 0.5982372319003535
Energy: 0.597934029550571
Energy: 0.5154372083004767
Energy: 0.5146486316411989
Energy: 0.5986357174542086
Energy: 0.5139821333005528
Energy: 0.5388071358962985
Energy: 0.6889332784071224
Energy: 0.5453102908643569
Energy: 0.5387071270359304
Energy: 0.5761077461827869
Energy: 0.5878764328530086
Energy: 0.5438581951803623
Energy: 0.5633795126653702
Energy: 0.6878414706835698
Energy: 0.68751433478065
Energy: 0.5420974444391684
Energy: 0.6933178862404343
Energy: 0.5427900681406798
Energy: 0.563195649228088
Energy: 0.6138904346605597
Energy: 0.6150043214870792
Energy: 0.5887114416271283
Energy: 0.660490334145973
Energy: 0.542607011496981
Energy: 0.7645236248446381
Energy: 0.6563687727299504
Energy: 0.5705195676734529
Energy: 0.663734941026805
Energy: 0.5874445349709936
Energy: 0.5444162937896441
Energy: 0.8256934364600645
Energy: 0.5563620621835882
Energy: 0.5604300823706865
Energy: 0.6237010938977503
Energy: 0.5568920675708794
Energy: 0.6301486659259183
Energy: 0.7539512966207987
Energy: 0.6182967283279068
Energy: 0.5670959054525426
Energy: 0.6175974168543099
Energy: 0.6169404060243449
Energy: 0.5405034887937313
Energy: 0.5707580581887345
Energy: 0.644397624577947
Energy: 0.7101318473918319
Energy: 0.5586260315648284
Energy: 0.6631276122756898
Energy: 0.5580197017672999
Energy: 0.5731627302407326
Energy: 0.6616133241586262
Energy: 0.6578052309229336
Energy: 0.5262729000064098
Energy: 0.6602353120157287
Energy: 0.5973227697062095
Energy: 0.8178032220000969
Energy: 0.544374832375007
Energy: 0.5400794300929783
Energy: 0.6499002383381832
Energy: 0.51806017286634
Energy: 0.6032902980169962
Energy: 0.6873685472098346
Energy: 0.5232515076163032
Energy: 0.5594446512378631
Energy: 0.6876002994847034
Energy: 0.523084534594411
Energy: 0.5629122188912926
Energy: 0.6083486951700479
Energy: 0.5406452370971766
Energy: 0.5419701545876058
Energy: 0.5904859496571173
Energy: 0.5478019816195233
Energy: 0.542464209995872
Energy: 0.5531271678360883
Energy: 0.5450816164647085
Energy: 0.5587191278311
Energy: 0.5202219488400671
Energy: 0.5440447842527383
Energy: 0.521286217090524
Energy: 0.5594340818287983
Energy: 0.6044303638066252
Energy: 0.598150342741994
Energy: 0.5594999475290766
Energy: 0.6003831149257187
Energy: 0.5980955951315455
Energy: 0.5720387531949109
Energy: 0.515074384762066
Energy: 0.5155625447890767
Energy: 0.5157007915478238
Energy: 0.5988029607275525
Energy: 0.5159690396524423
Energy: 0.5618132497279906
Energy: 0.5048599816474071
Energy: 0.5112860695633173
Energy: 0.5616099615449424
Energy: 0.5070337844480568
Energy: 0.5105591777509456
Energy: 0.5663846611263224
Energy: 0.5062812019272764
Energy: 0.5099685108770904
Energy: 0.5674823703730562
Energy: 0.5062607237921791
Energy: 0.5096176437454318
Energy: 0.5641531278567512
Energy: 0.5069073196861812
Energy: 0.5069220174542871
Energy: 0.5529278042941334
Energy: 0.5082281508821029
Energy: 0.5071155650811904
Energy: 0.5709931295881894
Energy: 0.5671608299440217
Energy: 0.5621325308035111
Energy: 0.5706967160588391
Energy: 0.5634263421223457
Energy: 0.5621150293406167
Energy: 0.5711635523079677
Energy: 0.5192786317165158
Energy: 0.5138328507204166
Energy: 0.5125927661046336
Energy: 0.5111384101041351
Energy: 0.5150883796072214
Energy: 0.6047423159603851
Energy: 0.5151790520982231
Energy: 0.5147357102534352
Energy: 0.6057035326674496
Energy: 0.5155107845461797
Energy: 0.5147258564835778
Energy: 0.6053027374068051
Energy: 0.514058661937611
Energy: 0.5388005923676398
Energy: 0.6061211230286202
Energy: 0.5141146661622309
Energy: 0.5381837536875783
Energy: 0.7758642145287418
Energy: 0.5379873766292004
Energy: 0.5384519838461608
Energy: 0.5556545548218381
Energy: 0.5876742635951352
Energy: 0.5381212413331171
Energy: 0.5678915625292813
Energy: 0.6917609245934682
Energy: 0.5773104191106398
Energy: 0.5603718700933836
Energy: 0.6892826517616268
Energy: 0.5786329724731935
Energy: 0.562160141352309
Energy: 0.6305244125897852
Energy: 0.5597774265054146
Energy: 0.543666448197533
Energy: 0.6293770786639429
Energy: 0.5548306642540407
Energy: 0.5978951054188236
Energy: 0.6179182617272047
Energy: 0.6187114853659884
Energy: 0.5519329997361311
Energy: 0.6170721249595366
Energy: 0.5688377702756755
Energy: 0.7690367858455478
Energy: 0.5450495062281975
Energy: 0.6306069675063217
Energy: 0.6673816677411493
Energy: 0.5462220804582179
Energy: 0.6434615509554849
Energy: 0.8254012291285764
Energy: 0.6048685389670493
Energy: 0.5416549274850153
Energy: 0.6206251253753499
Energy: 0.5617197997326709
Energy: 0.6014188769897666
Energy: 0.5739225361730728
Energy: 0.6147169670689807
Energy: 0.6158348851908176
Energy: 0.5235909669513041
Energy: 0.6597451127197309
Energy: 0.5840319659601368

minimum gb energy = 0.5048599816474071 eV
minimum distance =  2.3924237715137 Angstroms
sigma value = 57


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

Energy: 0.5215162079354931
Energy: 0.662013784010496
Energy: 0.5674783648923332
Energy: 0.5016792976422612
Energy: 0.7454093928062273
Energy: 0.567488984181407
Energy: 0.6193486289802554
Energy: 0.5123304782412861
Energy: 0.513514194961576
Energy: 0.5742286802576986
Energy: 0.5128201880080611
Energy: 0.5343934966001217
Energy: 0.7737535833632676
Energy: 0.4916970875334751
Energy: 0.49155681679625296
Energy: 0.5863400221559877
Energy: 0.4911976680409893
Energy: 0.525740280613831
Energy: 0.662209892884508
Energy: 0.49130698822612273
Energy: 0.5259767911552078
Energy: 0.6630649706259297
Energy: 0.49528757968281223
Energy: 0.5375350272373676
Energy: 0.5724758545548313
Energy: 0.5127396108890759
Energy: 0.5141986723466468
Energy: 0.5728902361148843
Energy: 0.5172714843869664
Energy: 0.5139602364691475
Energy: 0.5105877392885865
Energy: 0.5079545317863232
Energy: 0.4895183275450107
Energy: 0.4755703613066902
Energy: 0.5774575031411453
Energy: 0.4903046028847972
Energy: 0.5499897906826995
Energy: 0.5839053831727443
Energy: 0.5873376307834814
Energy: 0.48288155153875484
Energy: 0.5822244185999366
Energy: 0.4830427853193194
Energy: 0.6984709497118232
Energy: 0.4714917874269999
Energy: 0.4714336085118645
Energy: 0.5593291650453329
Energy: 0.47144740769211047
Energy: 0.480589058309947
Energy: 0.5369783818636219
Energy: 0.48459044251237665
Energy: 0.48704470087708185
Energy: 0.5379206606312119
Energy: 0.5397987631562661
Energy: 0.5345525595584042
Energy: 0.5454719424270739
Energy: 0.4694008472177294
Energy: 0.4765717708325035
Energy: 0.5342181561276461
Energy: 0.47569760382294324
Energy: 0.46936077178241126
Energy: 0.5197390950460352
Energy: 0.49990106958652
Energy: 0.4671347322679878
Energy: 0.4659684513625581
Energy: 0.5263892555179408
Energy: 0.4676471230221505
Energy: 0.5377996042524251
Energy: 0.5216061923397272
Energy: 0.5150361448854548
Energy: 0.5002211445765041
Energy: 0.520232272938739
Energy: 0.47048022235887965
Energy: 0.5155353663340302
Energy: 0.5285763719600675
Energy: 0.47472621523136116
Energy: 0.4731194925237845
Energy: 0.5330439729703227
Energy: 0.47504815658453203
Energy: 0.5155048175976509
Energy: 0.4696360469624114
Energy: 0.508502402119571
Energy: 0.5170210070627796
Energy: 0.5055947109895094
Energy: 0.5149113790971757
Energy: 0.5144500377754303
Energy: 0.46853626484821226
Energy: 0.4680371309902531
Energy: 0.5151550521776365
Energy: 0.47288159428398935
Energy: 0.467719243226527
Energy: 0.546255999035681
Energy: 0.5459523043038155
Energy: 0.4740188024132489
Energy: 0.4748754007105291
Energy: 0.5428745681163629
Energy: 0.47392955439847684
Energy: 0.516985148083614
Energy: 0.5434457910656966
Energy: 0.5173881189220289
Energy: 0.46877950767023097
Energy: 0.5403229586650018
Energy: 0.48090279362198063
Energy: 0.5176130575665835
Energy: 0.4901861129348564
Energy: 0.49052552077334965
Energy: 0.5190070775625698
Energy: 0.4893617636634781
Energy: 0.4893253218641321
Energy: 0.5780957239582627
Energy: 0.48437343946663936
Energy: 0.48372672532784533
Energy: 0.5796229746151597
Energy: 0.48917387528965217
Energy: 0.5778716944069968
Energy: 0.6558309970956385
Energy: 0.49517020707500087
Energy: 0.4953159539564911
Energy: 0.5154565140284686
Energy: 0.49079067749463606
Energy: 0.5125121734696917
Energy: 0.7250317718969407
Energy: 0.552795648041291
Energy: 0.5126146768081207
Energy: 0.5513516236717361
Energy: 0.5525048147047552
Energy: 0.5118885824800948
Energy: 0.5158796401041668
Energy: 0.671744498060968
Energy: 0.5099763940393739
Energy: 0.4828008978417297
Energy: 0.6685569046177855
Energy: 0.5101505470281977
Energy: 0.5386771768466434
Energy: 0.5799912930980167
Energy: 0.5637117506335328
Energy: 0.5148295164528025
Energy: 0.5783589184144609
Energy: 0.5609383153271512
Energy: 0.7399764851746006
Energy: 0.5154385869359418
Energy: 0.5109244298129286
Energy: 0.5194953662736622
Energy: 0.5625907384924081
Energy: 0.5161258972351708
Energy: 0.7779650973589586
Energy: 0.5124851063753151
Energy: 0.5125705843324884
Energy: 0.5968979474734389
Energy: 0.5130636147667608
Energy: 0.5908874952111907
Energy: 0.7735011783503006
Energy: 0.5742086037879488
Energy: 0.5700982881787532
Energy: 0.5748631483075354
Energy: 0.5742245505450181
Energy: 0.5390705856188789
Energy: 0.5201696289604862
Energy: 0.584068550950853
Energy: 0.532472506789432
Energy: 0.49488078850161626
Energy: 0.583604583820497
Energy: 0.5310920054229934

minimum gb energy = 0.4659684513625581 eV
minimum distance =  2.40632728910592 Angstroms
sigma value = 43


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

Energy: 0.4451547997207762
Energy: 0.5420705437339691
Energy: 0.502239044447559
Energy: 0.42486878246565757
Energy: 0.5835702731443345
Energy: 0.4754249684292488
Energy: 0.6303973689016961
Energy: 0.43092362627508257
Energy: 0.4259957932599989
Energy: 0.4829225092399766
Energy: 0.4309483531010762
Energy: 0.426766177998088
Energy: 0.6592980275379702
Energy: 0.4117038117642632
Energy: 0.42487099662167244
Energy: 0.4696018034319871
Energy: 0.4104216254335262
Energy: 0.4246033370054312
Energy: 0.5740518484967249
Energy: 0.42441083521007794
Energy: 0.424613960769856
Energy: 0.47866568366394485
Energy: 0.4373818328553872
Energy: 0.4432340950657781
Energy: 0.5105341433598042
Energy: 0.43104944742729884
Energy: 0.42583862903973063
Energy: 0.4703300299768346
Energy: 0.4307082469736554
Energy: 0.4261549958091933
Energy: 0.4313329849299836
Energy: 0.4256141297378795
Energy: 0.41640076446876195
Energy: 0.44102073811181575
Energy: 0.5091149147192596
Energy: 0.430381656076793
Energy: 0.607884486796506
Energy: 0.5095529724203487
Energy: 0.5097764559307701
Energy: 0.40760663209435677
Energy: 0.5134159501879499
Energy: 0.4055081255665299
Energy: 0.602732454095762
Energy: 0.3940834193041513
Energy: 0.39939458119311355
Energy: 0.4061665066789812
Energy: 0.39414739549051053
Energy: 0.3991518915395855
Energy: 0.4735780699040634
Energy: 0.40023361978590516
Energy: 0.40750643113629414
Energy: 0.47470710772492747
Energy: 0.3897538345385185
Energy: 0.43757598240406537
Energy: 0.46062750285970794
Energy: 0.3958765864357467
Energy: 0.3956247975417358
Energy: 0.4717212151554449
Energy: 0.39561823170866117
Energy: 0.39525512140885755
Energy: 0.42749975175119265
Energy: 0.44873261367485245
Energy: 0.3919236440488933
Energy: 0.3866185539712794
Energy: 0.4488280383729531
Energy: 0.3891188601886259
Energy: 0.4759980316194565
Energy: 0.44854269161477683
Energy: 0.448625357186913
Energy: 0.391751818826648
Energy: 0.4548710364358717
Energy: 0.39144765787972047
Energy: 0.5784949008673839
Energy: 0.4282237867779611
Energy: 0.43300328505325725
Energy: 0.43186590837865996
Energy: 0.42705895961829843
Energy: 0.4324904556175197
Energy: 0.4351467274254078
Energy: 0.41808921681118716
Energy: 0.44170118351381527
Energy: 0.436401321638288
Energy: 0.4123043104885327
Energy: 0.43506051311003235
Energy: 0.4351018583402819
Energy: 0.38743006621729614
Energy: 0.38808732440224203
Energy: 0.4355753250704533
Energy: 0.38686891244772276
Energy: 0.38670348259487697
Energy: 0.430267496102116
Energy: 0.4292182239694054
Energy: 0.3852098283901639
Energy: 0.38528012807662587
Energy: 0.42897793824863995
Energy: 0.3843459691945806
Energy: 0.43790218040821677
Energy: 0.4288910874232675
Energy: 0.43226912504832454
Energy: 0.38765192348547356
Energy: 0.42907912724748287
Energy: 0.38941860980884235
Energy: 0.4293610232553343
Energy: 0.38892223294207934
Energy: 0.3894296792319765
Energy: 0.43682922792900064
Energy: 0.4251943480412768
Energy: 0.3905770891931109
Energy: 0.42946097396161137
Energy: 0.41615575028848506
Energy: 0.42922411722808906
Energy: 0.42981737680522974
Energy: 0.5058280308534924
Energy: 0.4292147343983608
Energy: 0.42906547133866807
Energy: 0.4115488198767018
Energy: 0.39361697706340065
Energy: 0.4370548159000191
Energy: 0.42339252550941175
Energy: 0.3940319596894463
Energy: 0.45126835351848343
Energy: 0.4352575421229288
Energy: 0.44131117756093713
Energy: 0.3933767082909402
Energy: 0.43511752536584813
Energy: 0.3937124318287346
Energy: 0.4304203886294111
Energy: 0.43540427786190783
Energy: 0.3859135077566349
Energy: 0.38749725179151545
Energy: 0.43532771971749334
Energy: 0.3859399084530444
Energy: 0.4485614415506704
Energy: 0.389375691927033
Energy: 0.3891787715653699
Energy: 0.4487505654281436
Energy: 0.38882268319652086
Energy: 0.38869596529947575
Energy: 0.44869918463231234
Energy: 0.4267390091001046
Energy: 0.45431422398079935
Energy: 0.44996254581693373
Energy: 0.4170320978459267
Energy: 0.4485780908182857
Energy: 0.5884201014764452
Energy: 0.4131877581854906
Energy: 0.41910588191512926
Energy: 0.4458356169359562
Energy: 0.41274837295963507
Energy: 0.4454062207658536
Energy: 0.5429070489919346
Energy: 0.47165045181392967
Energy: 0.4720697430084053
Energy: 0.393670796194796
Energy: 0.4718324170970596
Energy: 0.39265822601667455
Energy: 0.42975129945254814
Energy: 0.4716500415020279
Energy: 0.40454951694915897
Energy: 0.3952383170759343
Energy: 0.4713010780856289
Energy: 0.39650736656099494
Energy: 0.47119994027673967
Energy: 0.4088620626093113
Energy: 0.40778815682690506
Energy: 0.46466364319538245
Energy: 0.40875287702017504
Energy: 0.40654732977485314
Energy: 0.5115219259541436
Energy: 0.4119237414668142
Energy: 0.4251261008978408
Energy: 0.512845872006047
Energy: 0.3980193349777989
Energy: 0.4252603638776275
Energy: 0.6224917857172144
Energy: 0.4032092442962495
Energy: 0.4114075381097268
Energy: 0.42475078408384687
Energy: 0.40265094343655855
Energy: 0.4112897886685358
Energy: 0.6208397098816507
Energy: 0.47581513302380324
Energy: 0.47637201196066686
Energy: 0.43492522870430317
Energy: 0.47580829791825785
Energy: 0.4294595370034589
Energy: 0.437650566652706
Energy: 0.47366768393123804
Energy: 0.4358559250201573
Energy: 0.431477798143525
Energy: 0.5734411372527247
Energy: 0.4201279860890003
Energy: 0.5717874566233155
Energy: 0.4678653525576477
Energy: 0.4639592974814296
Energy: 0.4801227225130309
Energy: 0.4789272321160387
Energy: 0.4589710319820736
Energy: 0.6226437509387834
Energy: 0.44293753948380754
Energy: 0.4429391234592782
Energy: 0.44120233924844665
Energy: 0.4770941895203551
Energy: 0.47252666564709983
Energy: 0.6596554403285124
Energy: 0.4255650593332367
Energy: 0.44281884595372417
Energy: 0.4683628699903429
Energy: 0.42464369084744824
Energy: 0.44748534005162033
Energy: 0.6185287412463685
Energy: 0.46672156731530695
Energy: 0.4654203714837729
Energy: 0.5343546359232827
Energy: 0.4788071959156109
Energy: 0.42743994278913616

minimum gb energy = 0.3843459691945806 eV
minimum distance =  2.40911372363954 Angstroms
sigma value = 81


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

Energy: 0.2517015231192364
Energy: 0.2807801857690711
Energy: 0.023902095853990148
Energy: 0.025010793297255658
Energy: 0.42765704460039977
Energy: 0.2519682840156467
Energy: 0.2808745078972492
Energy: 0.4604333202089542
Energy: 0.4284045623496187
Energy: 0.5018066024372961
Energy: 0.462889230629608
Energy: 0.45927818377804835
Energy: 0.4786466229254265
Energy: 0.02358581573913961
Energy: 0.023630972314986252
Energy: 0.5008158605041446
Energy: 0.02352495808953839
Energy: 0.05408830262018166
Energy: 0.4815133555109095
Energy: 0.023564317898200862
Energy: 0.02380906554301984
Energy: 0.48870981018478366
Energy: 0.023575880066455595
Energy: 0.052574538427319746
Energy: 0.05219966232822929
Energy: 0.5104495744442902
Energy: 0.5103632269990022
Energy: 0.05287519854594132
Energy: 0.5099606691980778
Energy: 0.5107039844813932
Energy: 0.024236459638584232
Energy: 0.484078699635187
Energy: 0.023602811730482936
Energy: 0.025409403149708715
Energy: 0.48398098673339907
Energy: 0.023652528044709843
Energy: 0.5071589036933357
Energy: 0.4840710104393977
Energy: 0.45892438383940576
Energy: 0.513155420946545
Energy: 0.460489394266357
Energy: 0.48420875884697456
Energy: 0.5052112593165663
Energy: 0.02351599526974789
Energy: 0.023627626174146942
Energy: 0.5136283680374744
Energy: 0.02349121234080896
Energy: 0.02379337554867588
Energy: 0.45561477372184744
Energy: 0.023717618147764203
Energy: 0.05419896765449499
Energy: 0.4773221471253326
Energy: 0.023579932934242855
Energy: 0.05367763056305708
Energy: 0.25232442665651783
Energy: 0.4862124944285003
Energy: 0.45615255269820076
Energy: 0.024150164483047958
Energy: 0.48548506553635684
Energy: 0.4849283388285072

minimum gb energy = 0.02349121234080896 eV
minimum distance =  2.46371859259542 Angstroms
sigma value = 3


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

Energy: 0.49766077422792493
Energy: 0.5181963442366574
Energy: 0.48858207442094664
Energy: 0.46004140751134015
Energy: 0.49103127805026153
Energy: 0.4642459624059908
Energy: 0.4994546418235444
Energy: 0.49791604854121746
Energy: 0.49564250460527964
Energy: 0.497444686021758
Energy: 0.50392955745054
Energy: 0.4951183433755156
Energy: 0.5158899627481452
Energy: 0.4687034031723613
Energy: 0.46900657469557666
Energy: 0.4988397848065713
Energy: 0.469641028210842
Energy: 0.48579172591225117
Energy: 0.49052409263610164
Energy: 0.4693277549792883
Energy: 0.46916962348572144
Energy: 0.4852278955199346
Energy: 0.43949454479631417
Energy: 0.487535445218593
Energy: 0.4455086435809601
Energy: 0.4965984466336569
Energy: 0.4964466754335488
Energy: 0.44524164656894183
Energy: 0.5034768200216861
Energy: 0.49570266602765184
Energy: 0.4693353422523948
Energy: 0.4947484602200492
Energy: 0.4806340933166726
Energy: 0.4111113864410382
Energy: 0.4944029205563304
Energy: 0.4560390915015095
Energy: 0.48687489789646854
Energy: 0.4982802802394398
Energy: 0.4802014426376982
Energy: 0.4890576115718373
Energy: 0.4551944714515681
Energy: 0.486663767867628
Energy: 0.4851350180433649
Energy: 0.46507144610263507
Energy: 0.46563137329024384
Energy: 0.48517689920959656
Energy: 0.4434407776938759
Energy: 0.46677856639687926
Energy: 0.4965566436029556
Energy: 0.4659492426302229
Energy: 0.48495098023633276
Energy: 0.4964324986463307
Energy: 0.45068387080745653
Energy: 0.4861154462747011
Energy: 0.49361813292268947
Energy: 0.45196180854620865
Energy: 0.4519621596765733
Energy: 0.4929555323896587
Energy: 0.457525753578572
Energy: 0.4611361872848774
Energy: 0.46954087429675584
Energy: 0.4723517122844908
Energy: 0.47327156193110803
Energy: 0.4048104465010563
Energy: 0.47664957117745377
Energy: 0.4513313958758409
Energy: 0.42415469796526944
Energy: 0.4781663360597972
Energy: 0.47937367192564084
Energy: 0.42397721337918703
Energy: 0.48091091531549574
Energy: 0.42363595137774973
Energy: 0.42532720835597965
Energy: 0.4414605395667582
Energy: 0.4571586632980576
Energy: 0.42541437579048447
Energy: 0.39651210030881545
Energy: 0.4582696079891226
Energy: 0.46885849154277126
Energy: 0.4380221944608566
Energy: 0.4603611499681673
Energy: 0.4262844634672406
Energy: 0.43528768084698904
Energy: 0.4594431730693741
Energy: 0.46618473601313426
Energy: 0.4043649604347271
Energy: 0.40387710797671267
Energy: 0.46409636640084023
Energy: 0.41025826852817204
Energy: 0.40407238777011956
Energy: 0.4637832946422209
Energy: 0.45046578891794437
Energy: 0.4495610921968623
Energy: 0.4460848451260539
Energy: 0.4605663421301947
Energy: 0.4500387055928214
Energy: 0.40132343351117933
Energy: 0.44924526966357164
Energy: 0.44752904508958674
Energy: 0.39420308010495136
Energy: 0.45126571399658366
Energy: 0.3939043456903123
Energy: 0.3949537046655284
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Energy: 0.44435225494119507
Energy: 0.3949045366313863
Energy: 0.3983904445055244
Energy: 0.44445958014249165
Energy: 0.45665637242226287
Energy: 0.4210962244263804
Energy: 0.44284127362718706
Energy: 0.39766103952647275
Energy: 0.42151119987147406
Energy: 0.44363878099302284
Energy: 0.4608265829957605
Energy: 0.39414217491207015
Energy: 0.39358552161988625
Energy: 0.4618886111130997
Energy: 0.39980286480623095
Energy: 0.3939795283327562
Energy: 0.46059634087186857
Energy: 0.44556428888152944
Energy: 0.44959635590589114
Energy: 0.46019835329932973
Energy: 0.4472737561901179
Energy: 0.4482228842963583
Energy: 0.4078808245266418
Energy: 0.4457025080783663
Energy: 0.44840909969356024
Energy: 0.40575535628105647
Energy: 0.4470440131567611
Energy: 0.40375464381162535
Energy: 0.4047948053930834
Energy: 0.45992728672481525
Energy: 0.4590563240502476
Energy: 0.40476482548665943
Energy: 0.4601067118393053
Energy: 0.4575786579931038
Energy: 0.46630438939007396
Energy: 0.42524724655122653
Energy: 0.45723934031964364
Energy: 0.43020964378750753
Energy: 0.4249925619900807
Energy: 0.44756321189452714
Energy: 0.47996106861119564
Energy: 0.42418770955645535
Energy: 0.42397548703464427
Energy: 0.48052548810037893
Energy: 0.43051928989666927
Energy: 0.4243434741084551
Energy: 0.47977447008096086
Energy: 0.460433913867411
Energy: 0.4610575976070857
Energy: 0.48072501402257795
Energy: 0.44100318307013797
Energy: 0.47329832646600173
Energy: 0.45638848780529373
Energy: 0.4604327697485055
Energy: 0.4614369036255804
Energy: 0.45575874369599234
Energy: 0.48121484701128137
Energy: 0.4612125071821255
Energy: 0.43313770215917535
Energy: 0.4937046700414998
Energy: 0.4920163750573326
Energy: 0.4332209905682308
Energy: 0.4981004568153362
Energy: 0.49183402073835714
Energy: 0.47136116489468266
Energy: 0.4857824659008259
Energy: 0.4800056018275153
Energy: 0.4087973889663002
Energy: 0.4865402278953829
Energy: 0.45397698894804195
Energy: 0.4553329618983223
Energy: 0.4843178683989749
Energy: 0.48532263032365797
Energy: 0.4554642344132251
Energy: 0.4891766091824685
Energy: 0.4848102304327104
Energy: 0.49796785582546405
Energy: 0.4687677494913118
Energy: 0.4693329427827027
Energy: 0.4956907814144524
Energy: 0.3993633888136113
Energy: 0.46947541926979003
Energy: 0.5144901299896516
Energy: 0.4702794475239677
Energy: 0.49715342135376905
Energy: 0.5003626658303852
Energy: 0.4460372945324299
Energy: 0.4963569751262673
Energy: 0.4534366764294963
Energy: 0.487264971023703
Energy: 0.4853181156064773
Energy: 0.4534877179115341
Energy: 0.49096255273030964
Energy: 0.47388246410816687

minimum gb energy = 0.39358552161988625 eV
minimum distance =  2.35167289710046 Angstroms
sigma value = 67


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

Energy: 0.606534083518936
Energy: 0.6066335930104683
Energy: 0.5987335520965442
Energy: 0.5245170154413319
Energy: 0.6004582851250612
Energy: 0.5996259331009186
Energy: 0.5953460778816536
Energy: 0.6020056224596209
Energy: 0.6077656787568251
Energy: 0.6058292126207192
Energy: 0.6050497518656615
Energy: 0.5957365036243416
Energy: 0.6282934836790128
Energy: 0.5761712457671699
Energy: 0.585742116545646
Energy: 0.6031778043399548
Energy: 0.5761544429347896
Energy: 0.5852209327503226
Energy: 0.6390722854762128
Energy: 0.5851217101320312
Energy: 0.5854825237346243
Energy: 0.5799545955154501
Energy: 0.5815156325831381
Energy: 0.5947548763711741
Energy: 0.578988381840367
Energy: 0.6398987567041929
Energy: 0.6013647306877662
Energy: 0.5794123393608862
Energy: 0.5994486567566871
Energy: 0.5966465217149012
Energy: 0.5724995177341368
Energy: 0.5896502342463125
Energy: 0.581461715832501
Energy: 0.5413717568096313
Energy: 0.589315260312489
Energy: 0.5818657944278661
Energy: 0.5908710559614327
Energy: 0.5841994073971806
Energy: 0.5850154210274947
Energy: 0.5909344364446585
Energy: 0.5821275832464324
Energy: 0.5798300786818479
Energy: 0.5874892055795364
Energy: 0.5784209352263875
Energy: 0.5723011465344674
Energy: 0.5874310438444089
Energy: 0.518123679266649
Energy: 0.5939864208694364
Energy: 0.587956619396682
Energy: 0.5935186930534698
Energy: 0.5960105544723462
Energy: 0.5893376629599392
Energy: 0.5808169970154092
Energy: 0.593969393447349
Energy: 0.5888622023915253
Energy: 0.547051467353362
Energy: 0.543408620727605
Energy: 0.5894405814303241
Energy: 0.5454094162135461
Energy: 0.5589824788996861
Energy: 0.5828093757216408
Energy: 0.5737554783332226
Energy: 0.5734594821309463
Energy: 0.5201237119294638
Energy: 0.5756011140246227
Energy: 0.5744550491245121
Energy: 0.5249482486308086
Energy: 0.57214247158976
Energy: 0.5721709351016353
Energy: 0.5243952157329982
Energy: 0.5523857984017693
Energy: 0.5197176200915361
Energy: 0.5264804108793799
Energy: 0.5254985828303985
Energy: 0.5653114730202632
Energy: 0.5190111104870777
Energy: 0.5210647029741533
Energy: 0.5200059591488341
Energy: 0.5728096538306225
Energy: 0.5670379704144545
Energy: 0.5647390385835404
Energy: 0.519899773370041
Energy: 0.573889320780879
Energy: 0.564163657005772
Energy: 0.5752562597512411
Energy: 0.5226969186087238
Energy: 0.5261408572221353
Energy: 0.5760273343231345
Energy: 0.52164847247587
Energy: 0.5200833468718583
Energy: 0.5753599219616676
Energy: 0.5761631960686955
Energy: 0.5733589557825863
Energy: 0.5542299557153835
Energy: 0.5904582624536093
Energy: 0.5715974733996846
Energy: 0.5473728752066085
Energy: 0.568364848881322
Energy: 0.5635367271475555
Energy: 0.5481099578689906
Energy: 0.5136086505167723
Energy: 0.5562974950074231
Energy: 0.5427571220362816
Energy: 0.5935220519712658
Energy: 0.594832914153219
Energy: 0.5428853490940818
Energy: 0.5918530559168739
Energy: 0.5759631938263238
Energy: 0.5696905203595135
Energy: 0.5859106619625986
Energy: 0.577932171093251
Energy: 0.5262457088525039
Energy: 0.585637305302068
Energy: 0.5778548260955739
Energy: 0.5861000971903612
Energy: 0.5849546492011181
Energy: 0.5864341209732957
Energy: 0.5860022828227748
Energy: 0.5883291084884722
Energy: 0.5956546653681021
Energy: 0.6328102643368686
Energy: 0.592172460656853
Energy: 0.5919916592703336
Energy: 0.6339917050340099
Energy: 0.5720087020336725
Energy: 0.6027903636925964
Energy: 0.6274445552686506
Energy: 0.5702367040509826
Energy: 0.5924854336277404
Energy: 0.6033265275740962
Energy: 0.5702772445931391
Energy: 0.6015983922411154
Energy: 0.5949332441211704
Energy: 0.5823357230911013
Energy: 0.5833605586428741
Energy: 0.5955943345712771
Energy: 0.5838327410561268
Energy: 0.6339383896197627

minimum gb energy = 0.5136086505167723 eV
minimum distance =  2.30729268915659 Angstroms
sigma value = 33


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

Energy: 0.7054371251691812
Energy: 0.7017442800111968
Energy: 0.700311338655222
Energy: 0.6445881539804361
Energy: 0.7074150689606942
Energy: 0.677683006839576
Energy: 0.6789120026220075
Energy: 0.6879047003221743
Energy: 0.6912496856255557
Energy: 0.6923480208173272
Energy: 0.6944674914679937
Energy: 0.6884265018698357
Energy: 0.7217659980122855
Energy: 0.6467223266157468
Energy: 0.6707621018288116
Energy: 0.6853815340257474
Energy: 0.6438067526765454
Energy: 0.6669798345812677
Energy: 0.6893469908533018
Energy: 0.661083685157102
Energy: 0.6696701145251984
Energy: 0.6896166548094554
Energy: 0.6706745511278188
Energy: 0.668443488395075
Energy: 0.6528965241130229
Energy: 0.6870909818853896
Energy: 0.6901277692567162
Energy: 0.6532047525482695
Energy: 0.6938925440610341
Energy: 0.6810320487017602
Energy: 0.661607776234103
Energy: 0.675754336780303
Energy: 0.6776458022420022
Energy: 0.6094830462845364
Energy: 0.6752967526482212
Energy: 0.6565599710865336
Energy: 0.6534680931862293
Energy: 0.6999284946505693
Energy: 0.6823792716493098
Energy: 0.6540342202027316
Energy: 0.6462897993531347
Energy: 0.6483755068997571
Energy: 0.6551765001368831
Energy: 0.6079954837196165
Energy: 0.6476977832321766
Energy: 0.6553543909761524
Energy: 0.6122791427503996
Energy: 0.643731978734184
Energy: 0.6589103950588733
Energy: 0.6460855577602933
Energy: 0.6650442796137597
Energy: 0.6472957919615491
Energy: 0.6472475967862641
Energy: 0.6618431938750668
Energy: 0.6589635962250259
Energy: 0.6125397198757325
Energy: 0.6088427823392495
Energy: 0.6592776654737263
Energy: 0.6097058586515662
Energy: 0.6078458070332975
Energy: 0.6591073917486812
Energy: 0.64800880600018
Energy: 0.6494393355831363
Energy: 0.6114899502409469
Energy: 0.6626704820772807
Energy: 0.648451555074629
Energy: 0.6081579220727461
Energy: 0.6094498377347717
Energy: 0.6087731371722317
Energy: 0.6082102365137986
Energy: 0.6245064071150094
Energy: 0.6088585107755905
Energy: 0.6085600674219063
Energy: 0.6632271851966249
Energy: 0.6693796514175262
Energy: 0.608715891130577
Energy: 0.6477062258745628
Energy: 0.6083621009847003
Energy: 0.66095280781795
Energy: 0.6588823872449614
Energy: 0.660105904170923
Energy: 0.5972922345551298
Energy: 0.658456722443756
Energy: 0.6458625132164215
Energy: 0.6638898811655679
Energy: 0.6490443791566183
Energy: 0.6527436757575036
Energy: 0.6644425624749639
Energy: 0.6555789716284688
Energy: 0.6462395551000458
Energy: 0.6450651130819813
Energy: 0.669912522862595
Energy: 0.6642143902434814
Energy: 0.6450682265837441
Energy: 0.6541126045882517
Energy: 0.6489438733859837
Energy: 0.722084798327478
Energy: 0.617454781998508
Energy: 0.6599019583951141
Energy: 0.6848419114167485
Energy: 0.6221988599826093
Energy: 0.6683028975882404
Energy: 0.7225632361377342
Energy: 0.6453296537727671
Energy: 0.6894296834602756
Energy: 0.6948550028432227
Energy: 0.6512898005650789
Energy: 0.6860419312414542
Energy: 0.6569931805357897
Energy: 0.6852124555304109
Energy: 0.6736286983640852
Energy: 0.6207792290303014
Energy: 0.6843901568180886
Energy: 0.6624037511421601
Energy: 0.6785960955472109
Energy: 0.6822431649361276
Energy: 0.6901815155318298
Energy: 0.6788281646323566
Energy: 0.6942716422157355
Energy: 0.681878878270366
Energy: 0.7229573837658884
Energy: 0.6592604228530827
Energy: 0.6698515611927242
Energy: 0.6850896393548479
Energy: 0.655854458899094
Energy: 0.6709885880189355
Energy: 0.6840269603296305
Energy: 0.6469220316142883
Energy: 0.6707676753685899
Energy: 0.6843209607283437
Energy: 0.6441552226594156
Energy: 0.6669615384438163
Energy: 0.6530902712289668
Energy: 0.6893455603264791
Energy: 0.6921317720218971
Energy: 0.6532884874729515
Energy: 0.6941120795422429
Energy: 0.6445950533874089
Energy: 0.6607097621883934
Energy: 0.6757280410420723
Energy: 0.6765912829255373
Energy: 0.6055136051068404
Energy: 0.6757679645422062
Energy: 0.6526565496488874
Energy: 0.6531223408247149
Energy: 0.6964884101508741
Energy: 0.6867052896802767
Energy: 0.6538577045714582
Energy: 0.6959641721496498
Energy: 0.6817507587166669
Energy: 0.6545589770881272
Energy: 0.6082784131044126
Energy: 0.6630268732243941
Energy: 0.6549006262827131
Energy: 0.6123749343298793
Energy: 0.644320708105133
Energy: 0.6582773382445772
Energy: 0.6107831692511286
Energy: 0.6653856956571369
Energy: 0.6604467635629627
Energy: 0.6471175991947438
Energy: 0.6620344150123484
Energy: 0.6584013758540032
Energy: 0.6096387377753854
Energy: 0.6087070551404582
Energy: 0.6590255798048459
Energy: 0.609988964360459
Energy: 0.6082970420067697
Energy: 0.6599077801158404
Energy: 0.6386698573384895
Energy: 0.6475886306547127
Energy: 0.6121831829058424
Energy: 0.6353958368534174
Energy: 0.6503037080016042
Energy: 0.6081187639745901
Energy: 0.6094417779958797
Energy: 0.6089578465447366
Energy: 0.6081025985476328
Energy: 0.619348272950293
Energy: 0.608175804513435
Energy: 0.6103308823212893
Energy: 0.6615113975274343
Energy: 0.6361884267111176
Energy: 0.6091729572545079
Energy: 0.6475202372530461
Energy: 0.6084987183191579
Energy: 0.6605420037184918
Energy: 0.6592848747353851
Energy: 0.6593592381474471
Energy: 0.5975274469689069
Energy: 0.6613510136185479
Energy: 0.6468578149563123
Energy: 0.6661150560193924
Energy: 0.6484616092618382
Energy: 0.6438124127971216
Energy: 0.6621196144410858
Energy: 0.65623527048369
Energy: 0.6448379150950206
Energy: 0.6432129961414863
Energy: 0.6742158132357656
Energy: 0.6530247794214935
Energy: 0.6438530084203347
Energy: 0.6181432150747878
Energy: 0.651523778053404
Energy: 0.7698073457057689
Energy: 0.6175891806425754
Energy: 0.6604179671722012
Energy: 0.6862409048566961
Energy: 0.5961811420787378
Energy: 0.6675965736729373
Energy: 0.7244307030408068
Energy: 0.6439521803325405
Energy: 0.6856247724326616
Energy: 0.6935348881166282
Energy: 0.6506154490438644
Energy: 0.6862982075119648
Energy: 0.6574142292732373
Energy: 0.6859420853886081
Energy: 0.6736979609152911
Energy: 0.6187804382102167
Energy: 0.6848115119228595
Energy: 0.6620510555955684

minimum gb energy = 0.5961811420787378 eV
minimum distance =  2.36736362225979 Angstroms
sigma value = 41


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

Energy: 0.822350938664609
Energy: 0.8364889138656055
Energy: 0.8397290361679273
Energy: 0.7329315250563028
Energy: 0.7773154592168344
Energy: 0.7295535592841778
Energy: 0.774948209435974
Energy: 0.7555261164216538
Energy: 0.7429687607678455
Energy: 0.758057738046625
Energy: 0.7603269508524534
Energy: 0.7433381084869538
Energy: 0.8504592958488117
Energy: 0.7274698787703914
Energy: 0.7253505718543475
Energy: 0.7579434121900928
Energy: 0.7401418580092266
Energy: 0.7256400635798519
Energy: 0.759498778417527
Energy: 0.7273695721268032
Energy: 0.7252180477358425
Energy: 0.7594663087110394
Energy: 0.73937286967644
Energy: 0.7280098411322287
Energy: 0.747827040164991
Energy: 0.7433114588615986
Energy: 0.7418609379371863
Energy: 0.7478361183282152
Energy: 0.7605952891077806
Energy: 0.7270669938047021
Energy: 0.7820858886240333
Energy: 0.7452648050378163
Energy: 0.7270205517831948
Energy: 0.7409320655835674
Energy: 0.7570676713992295
Energy: 0.72661819223263
Energy: 0.7466413694498526
Energy: 0.731162810820845
Energy: 0.7417633384942732
Energy: 0.7468119278048674
Energy: 0.7309363794771635
Energy: 0.7302729533315341
Energy: 0.7513228799946547
Energy: 0.7300661858144765
Energy: 0.726751945671956
Energy: 0.7522034242440157
Energy: 0.7429909512749551
Energy: 0.7289149170252606
Energy: 0.76780203283245
Energy: 0.7288102861324061
Energy: 0.7267853566120182
Energy: 0.7682920626062564
Energy: 0.755039957118218
Energy: 0.7274122890161498
Energy: 0.7556150233759898
Energy: 0.7506962828920233
Energy: 0.7292805171518305
Energy: 0.744889834685073
Energy: 0.7476882177520021
Energy: 0.7267596088096406
Energy: 0.7573953027771142
Energy: 0.7534352644328564
Energy: 0.7298278086247073
Energy: 0.7415146450679634
Energy: 0.7151526323268358
Energy: 0.7299881220037082
Energy: 0.8495087966506824
Energy: 0.7138069105354494
Energy: 0.7143334106592478
Energy: 0.7582866763008609
Energy: 0.719359142502108
Energy: 0.7147106658236339
Energy: 0.8514751999254272
Energy: 0.7449342582086367
Energy: 0.7412426673688495
Energy: 0.7594412163172853
Energy: 0.7499302399210026
Energy: 0.7424047662911307
Energy: 0.7917573640938723
Energy: 0.7583484646996577
Energy: 0.7197116644610858
Energy: 0.716497088892664
Energy: 0.7583653635774895
Energy: 0.7149625999393421

minimum gb energy = 0.7138069105354494 eV
minimum distance =  2.34844567547171 Angstroms
sigma value = 11


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

Energy: 0.8699591452435711
Energy: 0.9104196213538408
Energy: 0.8611743534246593
Energy: 0.861650353621034
Energy: 0.9254775299584573
Energy: 0.9040442369302762
Energy: 0.9406687565023119
Energy: 0.8478330129174685
Energy: 0.8443238161691916
Energy: 0.8381386755084548
Energy: 0.8433569247533992
Energy: 0.8498087704967957
Energy: 0.9888662238196657
Energy: 0.83035361872055
Energy: 0.8290164319455562
Energy: 0.8493839670196298
Energy: 0.8307052933906076
Energy: 0.8419962039516203
Energy: 0.8687277757010408
Energy: 0.8493587988347537
Energy: 0.8488422693281524
Energy: 0.8401131292681546
Energy: 0.8499345683288914
Energy: 0.8498847261148956
Energy: 0.856633222289261
Energy: 0.8441145341855868
Energy: 0.8549456990733393
Energy: 0.8229487265741094
Energy: 0.8460872290646587
Energy: 0.8531679413531109
Energy: 0.8764735271672077
Energy: 0.8355488108353964
Energy: 0.8410153849579345
Energy: 0.846685623614157
Energy: 0.8499935852044436
Energy: 0.8440330650884169
Energy: 0.8678307499721373
Energy: 0.8436488495582074
Energy: 0.8482825525971974
Energy: 0.8684359941641281
Energy: 0.8420700246271776
Energy: 0.842646619664211
Energy: 0.8613800425626876
Energy: 0.8534379305905099
Energy: 0.8544066872553531
Energy: 0.843111830618367
Energy: 0.8366945708972184
Energy: 0.853397451899841
Energy: 0.8377659326078443
Energy: 0.8510153719424525
Energy: 0.8520841457623939
Energy: 0.8370836101669124
Energy: 0.849046375045475
Energy: 0.8285854987932867
Energy: 0.8370492061865991
Energy: 0.8511131603278176
Energy: 0.8516045211145266
Energy: 0.8458471395231857
Energy: 0.8490079801278935
Energy: 0.8530232074876148
Energy: 0.8744073662983238
Energy: 0.8579157020325278
Energy: 0.8571956856902916
Energy: 0.8548844343407601
Energy: 0.8430367616812204
Energy: 0.8472204498461231
Energy: 0.85403522785196
Energy: 0.8363062627645865
Energy: 0.8510491558554112
Energy: 0.8528813968624337
Energy: 0.8287088435429599
Energy: 0.8373502411768263
Energy: 0.8515080489690082
Energy: 0.8464391243181935
Energy: 0.8486172306489368
Energy: 0.8522646081449493
Energy: 0.8453194532985803
Energy: 0.849670207881966
Energy: 0.8482832050894662
Energy: 0.8512812698652585
Energy: 0.8532690986965928
Energy: 0.8449264017184965
Energy: 0.8567861136278784
Energy: 0.8408409981084669
Energy: 0.8442666551237507
Energy: 0.8474649029120994
Energy: 0.8476592761463534
Energy: 0.8400293545047903
Energy: 0.8442927730253366
Energy: 0.8482037610847394
Energy: 0.8408031746957471
Energy: 0.8484847804230924
Energy: 0.8485447612905846
Energy: 0.8418523931322396
Energy: 0.8470942348512294
Energy: 0.8496400802752822
Energy: 0.8401527734880375
Energy: 0.8487002746677549
Energy: 0.8486668326116905
Energy: 0.8314916080666817
Energy: 0.84777673565107
Energy: 0.8399045324211492
Energy: 0.8622189274160187
Energy: 0.8718679556416208
Energy: 0.8723846251634126
Energy: 0.8460733896570203
Energy: 0.8833807125328997
Energy: 0.8297138089631017
Energy: 0.8515338852860767
Energy: 0.8435207593427624
Energy: 0.8488930202726951
Energy: 0.8524239311936596
Energy: 0.8391734287504371
Energy: 0.8497154369748771
Energy: 0.8520673424924399
Energy: 0.8264452458033408
Energy: 0.8278234309652732
Energy: 0.8433803730960354
Energy: 0.8264745701691396
Energy: 0.8481075535140571
Energy: 0.9122322209291297
Energy: 0.8523882733517124
Energy: 0.8431940118612017
Energy: 0.8403549355619492
Energy: 0.851559646521357
Energy: 0.8464034305690024
Energy: 0.8705268274249962
Energy: 0.8440889502784764
Energy: 0.8452061072808909
Energy: 0.8438195904015283
Energy: 0.8413105884310615
Energy: 0.8481439251536083
Energy: 0.8475589296715723
Energy: 0.845481577660483
Energy: 0.8396125433849188
Energy: 0.8311083121838048
Energy: 0.8438573484507076
Energy: 0.8382059006206483
Energy: 0.9103466664427274
Energy: 0.8330411449602874
Energy: 0.8499391432253908
Energy: 0.8391069081021524
Energy: 0.8519966282506751
Energy: 0.8485979720743067
Energy: 0.8912848240861059
Energy: 0.8313735924742685
Energy: 0.8530279687850248
Energy: 0.8837344088175874
Energy: 0.8579281524434695
Energy: 0.8520386891493086
Energy: 0.8862947550921259
Energy: 0.8336225835159485
Energy: 0.8548223762125355
Energy: 0.8404949060367316
Energy: 0.8375892248175693
Energy: 0.8486903423503627
Energy: 0.8770882533723032
Energy: 0.846461239394514
Energy: 0.8508263823557881
Energy: 0.8412365622350821
Energy: 0.8421501496463849
Energy: 0.8484071545423028
Energy: 0.8770761989710807
Energy: 0.8543398004970204
Energy: 0.8495238578673641
Energy: 0.844158290891783
Energy: 0.8467934924161672
Energy: 0.8479573698038116
Energy: 0.8857100038657016
Energy: 0.8336023569107543
Energy: 0.8406589967244311
Energy: 0.877559300398036
Energy: 0.8493649112715176
Energy: 0.8415577391231532
Energy: 0.9841791823655611
Energy: 0.8411776148218746
Energy: 0.8514516059499437
Energy: 0.8444824320920197
Energy: 0.8405206837090287
Energy: 0.8486087594555094
Energy: 0.8563307582537845
Energy: 0.8571505326871929
Energy: 0.8349668267817629
Energy: 0.8265472417367254
Energy: 0.8439654357675902
Energy: 0.8412403103416382

minimum gb energy = 0.8229487265741094 eV
minimum distance =  2.34117334834274 Angstroms
sigma value = 57


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

Energy: 1.1620254096808325
Energy: 0.8504759013531055
Energy: 0.8500520505283878
Energy: 0.8543876137122314
Energy: 0.8674984824568297
Energy: 0.8498792130901708
Energy: 0.8493280547324771
Energy: 0.8676144001293589
Energy: 0.8658827615867422
Energy: 0.867958957321279
Energy: 0.8686265518554084
Energy: 0.8729098925611871
Energy: 0.9015406237505948
Energy: 0.8716680445761955
Energy: 0.871417687420716
Energy: 0.8689933633833806
Energy: 0.8642423016856449
Energy: 0.8681550291101404
Energy: 0.8688282153545455
Energy: 0.8682750878031769
Energy: 0.8669028373736798
Energy: 0.8690654119931751
Energy: 0.8664041122954467
Energy: 0.8687891280751388
Energy: 0.8708218819599735
Energy: 0.8669160592687593
Energy: 0.8668104758615166
Energy: 0.8682848565511145
Energy: 0.8681425809460505
Energy: 0.8711451736373176
Energy: 0.8708659360156382
Energy: 0.8847543013778224
Energy: 0.8668878903450717
Energy: 0.8675536240384502
Energy: 0.8676760678843763
Energy: 0.8653050393254967
Energy: 0.9011192351918803
Energy: 0.8761145152693167
Energy: 0.8771086696758872
Energy: 0.9017272498456607
Energy: 0.8757523204810086
Energy: 0.8675394974089561
Energy: 0.869795406627231
Energy: 0.8691251949828318
Energy: 0.8672086788382819
Energy: 0.8695275629537533
Energy: 0.8692032972845806
Energy: 0.8724945229993045
Energy: 0.8492299866726034
Energy: 0.8681572454616672
Energy: 0.8750346223390971
Energy: 0.8538116063687633
Energy: 0.8682405572379011
Energy: 0.850564342152945
Energy: 0.8501497098910964
Energy: 0.8686066062151315
Energy: 0.8746271457392991
Energy: 0.8532684742130239
Energy: 0.8682066245822601
Energy: 0.8509840761841531
Energy: 0.899425037526566
Energy: 0.8693555434125452
Energy: 0.8732800813594549
Energy: 0.8685025393651298
Energy: 0.8692037842779511
Energy: 0.8713641523693593
Energy: 0.8901746963620578
Energy: 0.8767032541342392
Energy: 0.8708830107069641
Energy: 0.8697322624944515
Energy: 0.8786511933842363
Energy: 0.8679127071463678
Energy: 0.8742898245729871
Energy: 0.866865238033328
Energy: 0.8657207281561776
Energy: 0.8684789210020234
Energy: 0.8682340542667697
Energy: 0.870161377514633
Energy: 0.8694199558474336
Energy: 0.8687858902473481
Energy: 0.8676073560231473
Energy: 0.8672005843035232
Energy: 0.9042846065327707
Energy: 0.8666001767845323
Energy: 0.871130558146835
Energy: 0.851109948330069
Energy: 0.8661403516634338
Energy: 0.869114445101557
Energy: 0.8756938987864606
Energy: 0.8720782943372242
Energy: 0.9015837937842942
Energy: 0.8503387501250422
Energy: 0.8684695271475188
Energy: 0.8686238192262216
Energy: 0.8768350806217842
Energy: 0.8669656706644517
Energy: 0.8491476638536962
Energy: 0.8677437725482698
Energy: 0.8659009605198036
Energy: 0.849422085237033
Energy: 0.8689316867816625
Energy: 0.8659707144532925

minimum gb energy = 0.8491476638536962 eV
minimum distance =  2.35386045014784 Angstroms
sigma value = 9


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

Energy: 1.4240579754835458
Energy: 0.9506149219592052
Energy: 0.8979224314769293
Energy: 0.8976256244176176
Energy: 1.3374540032982172
Energy: 0.8989190730321902
Energy: 1.0037916911841342
Energy: 0.902015866616515
Energy: 0.8979572215845976
Energy: 0.8984088570197117
Energy: 0.9214837174405961
Energy: 0.9005057490729803
Energy: 0.9182120878547138
Energy: 0.9026807206912929
Energy: 0.8998341577554239
Energy: 0.8757684340698111
Energy: 0.9079330303185494
Energy: 0.8986534980627857
Energy: 0.8974013615037539
Energy: 0.9074666095137345
Energy: 0.9012788975087292
Energy: 0.8957387199390605
Energy: 0.8953078942205026
Energy: 0.9020239986744045
Energy: 0.8985483474234874
Energy: 0.8778952986719459
Energy: 0.8766278079416219
Energy: 0.8740150782103017
Energy: 0.8770589969405805
Energy: 0.8732630136961648
Energy: 0.8982363446983475
Energy: 0.8928052227117195
Energy: 0.8908604163324318
Energy: 0.8977664781880877
Energy: 0.8963263565964006
Energy: 0.8916621679019118
Energy: 0.8945074554293654
Energy: 0.8932784039946902
Energy: 0.9023458939677625
Energy: 0.8731375897863121
Energy: 0.8945199937821366
Energy: 0.9089057014231824
Energy: 0.9380005643691295
Energy: 0.8906655196423932
Energy: 0.8944348542744535
Energy: 0.9061027285012774
Energy: 0.8926271209243081
Energy: 0.8945306601968271
Energy: 0.9469634511418836
Energy: 0.8783885196585409
Energy: 0.8816609923599057
Energy: 0.9001922145710913
Energy: 0.8755032036537174
Energy: 0.9009898219287512
Energy: 0.9485153464030247
Energy: 0.8781471715651137
Energy: 0.8822165857935226
Energy: 0.9033033101908147
Energy: 0.874453687412348
Energy: 0.8822972231873067
Energy: 0.9385453829178916
Energy: 0.8848851946515756
Energy: 0.8826351322250735
Energy: 0.8991109613062631
Energy: 0.8873970868198934
Energy: 0.881917639206527
Energy: 0.9396919467706282
Energy: 0.8968108524522512
Energy: 0.9024952873868904
Energy: 0.9222740988992622
Energy: 0.8967183495874074
Energy: 0.8999822037981785
Energy: 0.9316979788039446
Energy: 0.896981566184927
Energy: 0.8979116329437765
Energy: 0.8981152560879914
Energy: 0.8994450533328086
Energy: 0.8899235122997322
Energy: 0.9411466219406248
Energy: 0.901980213668323
Energy: 0.9016741512878297
Energy: 0.9007065677114805
Energy: 0.8953767347742112
Energy: 0.9014026095478554
Energy: 0.9358477565979644
Energy: 0.8856154799367683
Energy: 0.8845913384253807
Energy: 0.9208471694971494
Energy: 0.8872063692805119
Energy: 0.8805658261034714
Energy: 0.9190543663775093
Energy: 0.9041566763712399
Energy: 0.8864114304472022
Energy: 0.8752300345036299
Energy: 0.9060830620227417
Energy: 0.8817227430639257
Energy: 0.9195238336277136
Energy: 0.9029998213085677
Energy: 0.9027526137140223
Energy: 0.8973509764421302
Energy: 0.9099883223875435
Energy: 0.9028743227181903
Energy: 1.0169267892218372
Energy: 0.8817490338418024
Energy: 0.8776588538539175
Energy: 0.9166387249287241
Energy: 0.9017126908766037
Energy: 0.8765735462855493
Energy: 0.9252807518996967
Energy: 0.9061785166062906
Energy: 0.9020323900477831
Energy: 0.9231742580338462
Energy: 0.8899791498994072
Energy: 0.8993729293176712
Energy: 0.9189996351853924
Energy: 0.9049686042395393
Energy: 0.9027566763098474
Energy: 0.8759543019229026
Energy: 0.9057267085310868
Energy: 0.8994745727333943
Energy: 0.9274847562357866
Energy: 0.9011215026565664
Energy: 0.9024439266895168
Energy: 0.8902495547715267
Energy: 0.9233808552830107
Energy: 0.904761317204227

minimum gb energy = 0.8731375897863121 eV
minimum distance =  2.31120450708299 Angstroms
sigma value = 27


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

Energy: 1.288507916952271
Energy: 0.916938834227651
Energy: 0.8699076859851713
Energy: 0.8741745159295572
Energy: 1.192972882692036
Energy: 0.9183643950595285
Energy: 0.9376623857486314
Energy: 0.8931117813435102
Energy: 0.9301130098478712
Energy: 0.8659922736314954
Energy: 0.8836445770292586
Energy: 0.9125951182991217
Energy: 0.9758693010818176
Energy: 0.8732104850915925
Energy: 0.8951621215402704
Energy: 0.8682689177031067
Energy: 0.8964535582641308
Energy: 0.8718247222115731
Energy: 1.0276733455518257
Energy: 0.8823135491917453
Energy: 0.8724788553247612
Energy: 0.9388294448513007
Energy: 0.91631948344938
Energy: 0.886222485936115
Energy: 0.9217970595995942
Energy: 0.9176729539715196
Energy: 0.941787513957493
Energy: 0.8995737562953171
Energy: 0.916380558920122
Energy: 0.9182981964492736
Energy: 0.9955328156111003
Energy: 0.9382713360583103
Energy: 0.9396706701788343
Energy: 0.938819398887221
Energy: 0.9457248389546982
Energy: 0.9379975610688576
Energy: 0.9855751273809913
Energy: 0.9112221792163943
Energy: 0.9113575899162397
Energy: 0.8696639231723167
Energy: 0.9073634112781472
Energy: 0.911436702036877
Energy: 0.9754767156274781
Energy: 0.9121768973727289
Energy: 0.9579186319362027
Energy: 0.9514986128598424
Energy: 0.9036955242331395
Energy: 0.9531321619763852
Energy: 0.9719317278459074
Energy: 0.9420012428029962
Energy: 0.9375138546284758
Energy: 0.9378287275965487
Energy: 0.950393383057848
Energy: 0.9378381735842549
Energy: 0.9721967959539127
Energy: 0.9196907389775256
Energy: 0.9167778715493262
Energy: 0.9376350468931137
Energy: 0.9220265519780407
Energy: 0.938508054586211
Energy: 0.9724472103852355
Energy: 0.9398235719047932
Energy: 0.9384633200038958
Energy: 0.9516018436367054
Energy: 0.8919888630177591
Energy: 0.9591157632216608
Energy: 0.9610193356950517
Energy: 0.9205679923624309
Energy: 0.9178541192185193
Energy: 0.9212334643419193
Energy: 0.9225252719543988
Energy: 0.9170177947338365
Energy: 1.03740302680872
Energy: 0.9193758471948609
Energy: 0.917653116189301
Energy: 0.915990924082581
Energy: 0.9336365065485708
Energy: 0.9189742739013673
Energy: 1.0066454312880238
Energy: 0.9223721278660816
Energy: 0.913955563700083
Energy: 0.912996514620519
Energy: 0.9238335922991718
Energy: 0.9131123505088703
Energy: 0.9583733324964326
Energy: 0.9162878535815172
Energy: 0.9154683709185668
Energy: 0.9232885577813182
Energy: 0.9177737123597107
Energy: 0.915737580389632
Energy: 0.9464580621611136
Energy: 0.9171099574877496
Energy: 0.9386423873557854
Energy: 0.9383184927627961
Energy: 0.9153561903965418
Energy: 0.93529033007402
Energy: 0.923076729247489
Energy: 0.912986592956458
Energy: 0.9128842965030125
Energy: 0.9239694028563948
Energy: 0.9270425405246142
Energy: 0.9124554469954542
Energy: 0.9540034728033294
Energy: 0.942505959571051
Energy: 0.9373257379307859
Energy: 0.9390123698781523
Energy: 0.9464392161559001
Energy: 0.9370610847371209
Energy: 0.9598042751711524
Energy: 0.897722167419172
Energy: 0.9118753579715494
Energy: 0.9577963874961154
Energy: 0.9016827210416206
Energy: 0.9091109949390347
Energy: 1.0040806315790471
Energy: 0.8978957018867828
Energy: 0.8956788388395581
Energy: 0.8702419595284695
Energy: 0.9019419281188571
Energy: 0.8950282912753805
Energy: 0.9614717505677473
Energy: 0.9427044561460423
Energy: 0.9394302089042835
Energy: 0.9378259321037915
Energy: 0.9498292366845595
Energy: 0.93606581656754
Energy: 0.9166838202446176
Energy: 0.9088715638929759
Energy: 0.8992649144160363
Energy: 0.9151813067367073
Energy: 0.9097297638429012
Energy: 0.9093091005301005
Energy: 0.9713636353337526
Energy: 0.8868966504686361
Energy: 0.8814009456029088
Energy: 0.8638103066252382
Energy: 0.8760710109496617
Energy: 0.8878477260428924
Energy: 0.9722687764038042
Energy: 0.8850769029074931
Energy: 0.883816112341756
Energy: 0.8683916316288434
Energy: 0.8820738203974868
Energy: 0.8743714530494916
Energy: 0.9959225617491476
Energy: 0.9382025289249405
Energy: 0.9178170881763897
Energy: 0.8756275254199453
Energy: 0.9218955793625365
Energy: 0.8954161431948674

minimum gb energy = 0.8638103066252382 eV
minimum distance =  2.26824195672781 Angstroms
sigma value = 19


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

Energy: 0.9103760366685703
Energy: 0.9159954726597672
Energy: 0.8714080264178552
Energy: 0.8632419283129419
Energy: 0.8952810374735045
Energy: 0.8708415051530819
Energy: 0.8960322842048097
Energy: 0.852928786521638
Energy: 0.864367583610268
Energy: 0.8563249064410386
Energy: 0.8583466992836168
Energy: 0.8600416613664786
Energy: 0.8897347239569408
Energy: 0.8536661888703441
Energy: 0.8546699890870868
Energy: 0.8516682529355432
Energy: 0.8565602063976934
Energy: 0.8576135312666329
Energy: 0.8870908110476733
Energy: 0.8589792723006763
Energy: 0.8593337789175775
Energy: 0.8581958685055335
Energy: 0.8582368634322998
Energy: 0.8540371479535707
Energy: 0.8893128292932733
Energy: 0.8571510019020617
Energy: 0.8575437331459146
Energy: 0.8607992205066948
Energy: 0.8619584778696001
Energy: 0.8579764216954763
Energy: 0.8907650097420653
Energy: 0.8821986628762138
Energy: 0.8590955967116215
Energy: 0.8838557277807729
Energy: 0.8777905568671319
Energy: 0.854024817346264
Energy: 0.9016382405758192
Energy: 0.8565750679919306
Energy: 0.8545549790045534
Energy: 0.8580257844660887
Energy: 0.8591321009471518
Energy: 0.8527502102648412
Energy: 0.8858326338722994
Energy: 0.8590204605476999
Energy: 0.8539907190960006
Energy: 0.8584519666530801
Energy: 0.8618182108274682
Energy: 0.8541332300685597
Energy: 0.8823169815793457
Energy: 0.8543777873059538
Energy: 0.8593803865255244
Energy: 0.8562967938424305
Energy: 0.8531220085203193
Energy: 0.8595718641321439
Energy: 0.8895453443499818
Energy: 0.8595848764111593
Energy: 0.8582028941775457
Energy: 0.8551524957473263
Energy: 0.8626486033565421
Energy: 0.8583749808731892
Energy: 0.8892913960145815
Energy: 0.8466576735434512
Energy: 0.8452804643132154
Energy: 0.8930952771318148
Energy: 0.8438350578122015
Energy: 0.8484651853138352
Energy: 0.8970025913238491
Energy: 0.8479366700642152
Energy: 0.8479372294407106
Energy: 0.8425867128292547
Energy: 0.8511316753999544
Energy: 0.8477366536829151
Energy: 0.9055742829929301
Energy: 0.8772446499152633
Energy: 0.8455364083108918
Energy: 0.847227427293889
Energy: 0.8792803400319574
Energy: 0.8456093763186223
Energy: 0.9074209394738032
Energy: 0.8623698455531676
Energy: 0.8591273783669322
Energy: 0.8430043993461784
Energy: 0.8674354639362303
Energy: 0.8572832273935368
Energy: 0.8966182623959347
Energy: 0.8490042853587891
Energy: 0.8491224857259685
Energy: 0.8355155729585189
Energy: 0.8477688049752515
Energy: 0.8485921352452459
Energy: 0.9020807074994561
Energy: 0.8439884244128282
Energy: 0.8449699234808247
Energy: 0.8519532523864907
Energy: 0.8488016784519612
Energy: 0.8532789102142317
Energy: 0.8900289237410512
Energy: 0.8537262640372553
Energy: 0.8608655488675213
Energy: 0.8476949421605919
Energy: 0.857665422888941
Energy: 0.8623746287561213
Energy: 0.9172859754567079
Energy: 0.8447463596844856
Energy: 0.8445052844245969
Energy: 0.8439742890350556
Energy: 0.8444039594985487
Energy: 0.8445475059447031
Energy: 0.9083589594801067
Energy: 0.8478741561998251
Energy: 0.8479110996428741
Energy: 0.8467853141400105
Energy: 0.8451438421758611
Energy: 0.840316551383285
Energy: 0.8847180692726707
Energy: 0.8467118095439956
Energy: 0.8482224550348376
Energy: 0.864040354230322
Energy: 0.8449921078598454
Energy: 0.8470413757985863
Energy: 0.8597039843993527
Energy: 0.8449543727163711
Energy: 0.8445793363418461
Energy: 0.8442670888435526
Energy: 0.84488481323721
Energy: 0.8448138023213181
Energy: 0.8592629601277858
Energy: 0.847228413583253
Energy: 0.8471830461082401
Energy: 0.8583313179240416
Energy: 0.8461565361464083
Energy: 0.8470420559061378
Energy: 0.8879010279842476
Energy: 0.843640802406956
Energy: 0.8421294585346258
Energy: 0.8708876743755694
Energy: 0.8455472537009068
Energy: 0.8427660727907257
Energy: 0.8906655081846837
Energy: 0.8458592936968382
Energy: 0.8464930425943176
Energy: 0.8670311045193068
Energy: 0.841548797283242
Energy: 0.8474134048536663
Energy: 0.9057126963147578
Energy: 0.8458480368683682
Energy: 0.8482125779495429
Energy: 0.8477289258091278
Energy: 0.8427657880068855
Energy: 0.8486174297867298
Energy: 0.8936477710886722
Energy: 0.8404771350191977
Energy: 0.8406946315208761
Energy: 0.8545039952821737
Energy: 0.8560989373750052
Energy: 0.8400897160294327
Energy: 0.890043067492883
Energy: 0.8604454287770027
Energy: 0.8585134505566386
Energy: 0.8686372891658446
Energy: 0.8563223475645636
Energy: 0.8582179452424402
Energy: 0.890376519338427
Energy: 0.8562605008232553
Energy: 0.8603687161859479
Energy: 0.8525967366747964
Energy: 0.8567363240209044
Energy: 0.8593539574911916
Energy: 0.9089895965715287
Energy: 0.8857686394735657
Energy: 0.88643141170104
Energy: 0.8416617816626832
Energy: 0.8854959181758939
Energy: 0.8461741387596552

minimum gb energy = 0.8355155729585189 eV
minimum distance =  2.32690687903438 Angstroms
sigma value = 101


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

Energy: 1.2848526773962434
Energy: 0.8478417822575576
Energy: 0.8473984646598013
Energy: 0.7976033344870986
Energy: 0.817745916061323
Energy: 0.7972109641505952
Energy: 0.9081650207091739
Energy: 0.8255067890558184
Energy: 0.8255952927569951
Energy: 0.8206126260456214
Energy: 0.8146567798288805
Energy: 0.8241529838481698
Energy: 0.8778525161668383
Energy: 0.8180251217118116
Energy: 0.8238427704063247
Energy: 0.8154861113516498
Energy: 0.819737205664989
Energy: 0.8154756067541833
Energy: 0.8662332878177907
Energy: 0.8279706064860981
Energy: 0.8274723782356985
Energy: 0.8188992374541231
Energy: 0.8245196004578637
Energy: 0.8271201655660595
Energy: 0.8408918553199575
Energy: 0.8161275477268906
Energy: 0.8173932748668619
Energy: 0.8326373445408083
Energy: 0.8158299425060453
Energy: 0.8303750122467823
Energy: 0.8516992242878318
Energy: 0.8248024890364698
Energy: 0.8284188571659914
Energy: 0.8351725454116914
Energy: 0.8247654628144837
Energy: 0.8288653120990729
Energy: 0.848587716603176
Energy: 0.8153267350226909
Energy: 0.8219986083604943
Energy: 0.8400358895499814
Energy: 0.8168213275556462
Energy: 0.8143169684255753
Energy: 0.8509057383688781
Energy: 0.8222535276242582
Energy: 0.8229486162237684
Energy: 0.8231533956773307
Energy: 0.81976251697055
Energy: 0.8239655244380604
Energy: 0.8287469330379442
Energy: 0.814492359417989
Energy: 0.8197246759568785
Energy: 0.8215227866685223
Energy: 0.813467686442316
Energy: 0.8178215891762874
Energy: 0.83917703072159
Energy: 0.8325173749515754
Energy: 0.8303468918133744
Energy: 0.8234940721756625
Energy: 0.8352773533548388
Energy: 0.8300602549431969
Energy: 0.8723077157055658
Energy: 0.8087924414857092
Energy: 0.8195167511292082
Energy: 0.8150810552533864
Energy: 0.8081817855068053
Energy: 0.7940372702268488
Energy: 0.8803874145309287
Energy: 0.8280290725316275
Energy: 0.8271174186812265
Energy: 0.8216352670960909
Energy: 0.8204319050401229
Energy: 0.8270617659937826
Energy: 0.8496398676779813
Energy: 0.8150662957839009
Energy: 0.8151029172892706
Energy: 0.8177988399817426
Energy: 0.8153116329651777
Energy: 0.8143291683813461
Energy: 0.8570852238999456
Energy: 0.8291318477697925
Energy: 0.8268985953015322
Energy: 0.8189524017205005
Energy: 0.8335469296810217
Energy: 0.8241436287003088
Energy: 0.8778254008635492
Energy: 0.8203704091457051
Energy: 0.8198840545848473
Energy: 0.8200558410861862
Energy: 0.8223013984627278
Energy: 0.8213791896319846
Energy: 0.8779306387838406
Energy: 0.8216389197423899
Energy: 0.8265751325457645
Energy: 0.8192091636378622
Energy: 0.8232216313113445
Energy: 0.8258253957857462
Energy: 0.8523100572945536
Energy: 0.8504527802374237
Energy: 0.826761751314284
Energy: 0.8068214264617128
Energy: 0.8828385308203227
Energy: 0.8083694190563456
Energy: 0.9131040230602688
Energy: 0.8151521083074346
Energy: 0.8150420070937502
Energy: 0.8288909655928287
Energy: 0.8151151910572775
Energy: 0.8255273519252164
Energy: 0.8778763604776043
Energy: 0.8203253014536944
Energy: 0.8209490267939938
Energy: 0.8139515759229553
Energy: 0.82161463782839
Energy: 0.8230565893958338
Energy: 0.86334541619338
Energy: 0.8220114479408523
Energy: 0.8215874493584111
Energy: 0.8157345863388362
Energy: 0.8223975920427028
Energy: 0.8224962289434985
Energy: 0.8434171772380697
Energy: 0.8143074357075413
Energy: 0.8155358052495425
Energy: 0.8297453642827434
Energy: 0.8150737083281406
Energy: 0.8242186397363178
Energy: 0.8585402536591544
Energy: 0.8274128030648922
Energy: 0.826641151568882
Energy: 0.8237032786633947
Energy: 0.8192211317193616
Energy: 0.8256200919417308
Energy: 0.8503348883909083
Energy: 0.8230729298660215
Energy: 0.8230244663844326
Energy: 0.8275523349667968
Energy: 0.8235182938381227
Energy: 0.8233955311655373
Energy: 0.8608057269838862
Energy: 0.8200951496821375
Energy: 0.8206355733622308
Energy: 0.8297160672306845
Energy: 0.8214677036893695
Energy: 0.8157851603839102
Energy: 0.8360999547846436
Energy: 0.8265099508233413
Energy: 0.8237346792709772
Energy: 0.8220650339314443
Energy: 0.8147052982781903
Energy: 0.8220309779375038
Energy: 0.82939960467167
Energy: 0.8284265252085992
Energy: 0.8253703938356615
Energy: 0.8213953585083138
Energy: 0.8318008793121663
Energy: 0.8243984614035686
Energy: 0.8433365641973658
Energy: 0.8089475331580317
Energy: 0.809558700465495
Energy: 0.809964765854044
Energy: 0.8098591405930492
Energy: 0.8179673460693807
Energy: 0.8782258667094617
Energy: 0.8078242092726041
Energy: 0.817524568623251
Energy: 0.8196461712667109
Energy: 0.8106227280187742
Energy: 0.8242955234709103
Energy: 0.8551275773531624
Energy: 0.8174177149441718
Energy: 0.8242645169232847
Energy: 0.8191164183266105
Energy: 0.8200774249829687
Energy: 0.8225857823379741
Energy: 0.852001261823366
Energy: 0.822377410567489
Energy: 0.8248552273834063
Energy: 0.8187783575678819
Energy: 0.8113985615496319
Energy: 0.8248542111977897
Energy: 0.8777614948822317
Energy: 0.8232265891167251
Energy: 0.8226185892711454
Energy: 0.8348670672211498
Energy: 0.8197043667495862
Energy: 0.8233547419558144
Energy: 0.8786954786808169
Energy: 0.822777505421623
Energy: 0.8234966255733308
Energy: 0.8151156625160552
Energy: 0.8213804708804213
Energy: 0.8240499768785381
Energy: 0.8521021026975517
Energy: 0.8147369300898467
Energy: 0.8267207533187766
Energy: 0.8070779659135098
Energy: 0.8098461695711351
Energy: 0.8252456658223234

minimum gb energy = 0.7940372702268488 eV
minimum distance =  2.32281322144586 Angstroms
sigma value = 33


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

Energy: 0.015446974427897761
Energy: 0.016315606624596912
Energy: 0.016088605766355624
Energy: 0.017075059528160453
Energy: 0.8366303398368936
Energy: 0.015943219256875873
Energy: 0.016095702611999507
Energy: 0.10414292577472702
Energy: 0.10286381203400147
Energy: 0.10519089463689874
Energy: 0.10480629149303182
Energy: 0.10283030540014376
Energy: 1.1262682954765804
Energy: 0.8360079479832871
Energy: 0.8353222040461068
Energy: 0.838535015177587
Energy: 0.8378030293074445
Energy: 0.835291873090986
Energy: 0.3865277784477352
Energy: 0.1041429257755894
Energy: 0.10286381203444497
Energy: 0.10519089463689874
Energy: 0.10480629149303182
Energy: 0.10283030540100614

minimum gb energy = 0.015446974427897761 eV
minimum distance =  2.52054988859367 Angstroms
sigma value = 1