Model name: model_name=EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8553125262260437
cohesive_energy=4.013297914353109
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012434200862750763
Energy: 0.012649761864999071
Energy: 2.6516677007903784
Energy: 0.012649761864999071
Energy: 0.012649761864999071
Energy: 0.012666701316958642
Energy: 0.41252913726737533
Energy: 0.012666701316958642
Energy: 2.651667700791356
Energy: 0.41252913726737533
Energy: 0.4125048409226079
Energy: 0.41252913726737533
Energy: 0.012649761864999071
Energy: 0.012666701316958642
Energy: 0.41252913726737533
Energy: 0.012666701316958642

minimum gb energy = 0.012434200862750763 eV
minimum distance =  2.47042991722558 Angstroms
sigma value = 1


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

Energy: 1.4086392168952955
Energy: 1.2252489334847614
Energy: 2.2598447674496596
Energy: 1.2252489334859806
Energy: 1.4424492950532442
Energy: 0.9010361969273343
Energy: 1.0467464208544524
Energy: 0.9010361969285535
Energy: 1.5255170035566181
Energy: 0.9106224575732049
Energy: 0.904052429832532
Energy: 0.9106224575744242
Energy: 1.3248304038464462
Energy: 0.9028840283347626
Energy: 0.9830227616445258
Energy: 0.9028840283420785
Energy: 1.32631105623236
Energy: 0.9028013276791265
Energy: 1.2937166278521715
Energy: 0.9028013276815651
Energy: 1.4403710356555326
Energy: 0.8962554152110705
Energy: 0.8959895994082668
Energy: 0.8962554152122898
Energy: 1.1062814588765544
Energy: 1.1584674666155257
Energy: 0.8958945322010378
Energy: 1.158467466613087
Energy: 0.9027414092711804
Energy: 0.8952960793968269
Energy: 1.2849459354484858
Energy: 0.8952960794016487
Energy: 1.1065312308862698
Energy: 1.0463662071995325
Energy: 1.276269240689555
Energy: 1.0463662071983133
Energy: 1.4599253301526864
Energy: 1.154533814617376
Energy: 1.1329537389034832
Energy: 1.1545338146246917
Energy: 0.8990091368496419
Energy: 1.0521459153157469
Energy: 1.2761942818136893
Energy: 1.0521459153157469
Energy: 0.8989869746411693
Energy: 0.8989260556100768
Energy: 1.8041176090488296
Energy: 0.8989260556100768
Energy: 1.088183508087613
Energy: 1.052234063581374
Energy: 1.3297112464951306
Energy: 1.0522340635825933
Energy: 0.9099203131869835
Energy: 1.1566218977856753
Energy: 1.3688886665564963
Energy: 1.1566218977856753
Energy: 0.9124474163510805
Energy: 0.8953741474561777
Energy: 1.436858617233861
Energy: 0.8953741474500811
Energy: 0.9669222776589225
Energy: 0.895402115111496
Energy: 1.4400794900938843
Energy: 0.8954021151139344
Energy: 0.9100897423007168
Energy: 1.1566218124312038
Energy: 1.3697523667033533
Energy: 1.156621812432423
Energy: 1.0889226828824659
Energy: 1.0518057385132094
Energy: 1.306479229497305
Energy: 1.0518057385144284
Energy: 0.8990329955259555
Energy: 0.8988425379700705
Energy: 1.8184502905956907
Energy: 0.8988425379700705
Energy: 0.8991466735770907
Energy: 1.0518654334765913
Energy: 1.1090367287573413
Energy: 1.0518654334814688
Energy: 1.4615769317148326
Energy: 1.1539633768927824
Energy: 1.1251910332252704
Energy: 1.1539633768976596
Energy: 1.1064844807213403
Energy: 1.0409161427792535
Energy: 1.2761868264639178
Energy: 1.0409161427792535
Energy: 1.011937514988021
Energy: 0.8953036733863172
Energy: 1.1011466253328197
Energy: 0.8953036733826593
Energy: 1.2717619262094182
Energy: 1.1570923041469003
Energy: 0.8960661149130744
Energy: 1.1570923041529966
Energy: 1.4418604586926371
Energy: 0.896244729366439
Energy: 0.8960270181009216
Energy: 0.8962447293627812
Energy: 1.3688442229507534
Energy: 0.9031233352411691
Energy: 1.2893045471009679
Energy: 0.9031233352387305
Energy: 1.2977134762105689
Energy: 0.9029696234641005
Energy: 0.905089187134909
Energy: 0.9029696236542003
Energy: 1.6075099761117404
Energy: 0.9105278879225156
Energy: 0.9302839975984132
Energy: 0.910527887920077
Energy: 1.4433709595093833
Energy: 0.9010993951582081
Energy: 1.0468018990945385
Energy: 0.9010993951508923
Energy: 1.4024523857106812
Energy: 1.0543300024065316
Energy: 0.9109204968974992
Energy: 1.054330002400435
Energy: 1.4431624146537148
Energy: 0.9012051394252971
Energy: 0.9832820706724916
Energy: 0.9012051394289551
Energy: 1.4402418563936759
Energy: 0.8982960401105827
Energy: 0.9040450912117329
Energy: 0.8982960401142407
Energy: 1.3268012878128832
Energy: 1.0418851188404765
Energy: 0.982922503470885
Energy: 1.0418851188416958

minimum gb energy = 0.8952960793968269 eV
minimum distance =  2.26603708636488 Angstroms
sigma value = 1


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

Energy: 1.518456676347699
Energy: 1.2411457438197533
Energy: 2.3133403776380845
Energy: 1.2411457438197533
Energy: 1.347914606679404
Energy: 1.0810789138330825
Energy: 1.124461187153198
Energy: 1.0810789138344727
Energy: 1.3558020670923443
Energy: 0.9479067428241311
Energy: 0.9560798189140316
Energy: 0.9479067428255215
Energy: 0.9323126191233264
Energy: 1.0828818732889058
Energy: 1.124382644558442
Energy: 1.0828818732875158
Energy: 0.9322311701924251
Energy: 1.0826851818735836
Energy: 1.3917729927823
Energy: 1.0826851818735836
Energy: 1.3559410069642688
Energy: 0.9308393688079837
Energy: 0.9311698304314728
Energy: 0.9308393688093738
Energy: 1.013627950347666
Energy: 1.004296781610323
Energy: 0.9314927551493745
Energy: 1.004296781610323
Energy: 0.9308393093637947
Energy: 0.931014076918194
Energy: 1.38489295080317
Energy: 0.9310140769209746
Energy: 1.0136858790799892
Energy: 1.080968529203447
Energy: 1.3560165623525444
Energy: 1.080968529203447
Energy: 1.1256912794448906
Energy: 0.9326952747133093
Energy: 0.9323791626997552
Energy: 0.9326952747133093
Energy: 1.0171500485752714
Energy: 1.0830185614488093
Energy: 1.3567772400337907
Energy: 1.0830185614488093
Energy: 1.0174577371867577
Energy: 0.9308281169512079
Energy: 1.7346596949355992
Energy: 0.9308281169512079
Energy: 1.1246446875868683
Energy: 1.0808824032947044
Energy: 1.4138535754298407
Energy: 1.0808824032947044
Energy: 1.1246446875882585
Energy: 1.0807878284764885
Energy: 1.4139639864757352
Energy: 1.0807878284778785
Energy: 1.017462789208623
Energy: 0.9308154859301087
Energy: 1.7348799139698967
Energy: 0.9308154859314988
Energy: 1.0171677924909652
Energy: 1.083021690019047
Energy: 1.356799117805969
Energy: 1.083021690019047
Energy: 1.1256912794532317
Energy: 0.93271594089407
Energy: 0.9324187319108787
Energy: 0.9327159408926795
Energy: 1.0137016829036598
Energy: 1.0809678863381376
Energy: 1.356037014243468
Energy: 1.080967886339528
Energy: 0.9308417693750917
Energy: 0.9310133136498367
Energy: 1.3848929508045604
Energy: 0.9310133136484465
Energy: 1.0137700071603035
Energy: 1.0043904786990372
Energy: 0.9312943354903018
Energy: 1.0043904787004274
Energy: 1.3560710453181648
Energy: 0.930842926434518
Energy: 0.9312552308452543
Energy: 0.930842926434518
Energy: 0.9322344711492182
Energy: 1.082381636854066
Energy: 1.39177299278369
Energy: 1.082381636855456
Energy: 0.9323394797501148
Energy: 1.0827769057297372
Energy: 1.1243826445570515
Energy: 1.0827769057311272
Energy: 1.3558628203871537
Energy: 0.9479116431672573
Energy: 0.9558802921835443
Energy: 0.9479116431686474
Energy: 1.3479603343918285
Energy: 1.0810959042798842
Energy: 1.1244611871434664
Energy: 1.0810959042798842
Energy: 1.518456676347699
Energy: 1.2411457438197533
Energy: 2.3133403776325236
Energy: 1.2411457438197533
Energy: 1.347914606679404
Energy: 1.0810789138344727
Energy: 1.124461187153198
Energy: 1.0810789138330825
Energy: 1.355802067090954
Energy: 0.9479067428255215
Energy: 0.9560798189126415
Energy: 0.9479067428241311
Energy: 0.9323126191233264
Energy: 1.0828818732889058
Energy: 1.124382644558442
Energy: 1.0828818732889058

minimum gb energy = 0.9308154859301087 eV
minimum distance =  2.27911469677045 Angstroms
sigma value = 25


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

Energy: 1.3434238160902232
Energy: 1.1108480798894227
Energy: 2.2948446959452093
Energy: 1.1108480798894227
Energy: 1.4536843886755941
Energy: 0.9936105317307552
Energy: 1.193958996980087
Energy: 0.9936105317275231
Energy: 1.4421266002429114
Energy: 1.0070275879042287
Energy: 1.0339432662975248
Energy: 1.0070275879042287
Energy: 1.2966061742931088
Energy: 0.9923243639350874
Energy: 1.1145520638233664
Energy: 0.9923243639350874
Energy: 1.2654138375858122
Energy: 0.9922973405885815
Energy: 1.2831536977303382
Energy: 0.9922973405885815
Energy: 1.442093566321496
Energy: 0.9939004281320504
Energy: 0.9935984801409307
Energy: 0.9939004281304342
Energy: 1.0050684072890015
Energy: 0.9925705692888749
Energy: 0.9935999725690209
Energy: 0.9925705692888749
Energy: 1.0074011613077394
Energy: 1.004593000486988
Energy: 1.4684810717084829
Energy: 1.004593000486988
Energy: 1.0941914436688405
Energy: 1.2263623899124139
Energy: 1.2700647643373966
Energy: 1.226362389910798
Energy: 1.0804153900360505
Energy: 1.0018931036280232
Energy: 1.3298144364220004
Energy: 1.001893103631255
Energy: 1.0868005168731347
Energy: 1.077282608137245
Energy: 1.4508100296384774
Energy: 1.0772826081388613
Energy: 1.1015485094462296
Energy: 1.004898099296183
Energy: 1.4435265221666704
Energy: 1.004898099296183
Energy: 1.0801603955393684
Energy: 1.001589911121948
Energy: 1.3161885212411453
Energy: 1.001589911123564
Energy: 1.1358041397140903
Energy: 0.9924040603089448
Energy: 1.2734093715559194
Energy: 0.9924040603089448
Energy: 0.997024249372514
Energy: 1.0051721000985476
Energy: 1.7052456158048317
Energy: 1.0051721000985476
Energy: 1.0048459945187456
Energy: 0.993352813633995
Energy: 0.9936965493191268
Energy: 0.9933528136356111
Energy: 1.7153101137479494
Energy: 0.9941117928362067
Energy: 0.9933284609533276
Energy: 0.9941117928345905
Energy: 1.2681408238273986
Energy: 0.992574971065704
Energy: 1.2976908864367298
Energy: 0.9925749710640879
Energy: 1.3243349327742888
Energy: 0.9927018831625108
Energy: 1.1147287848162613
Energy: 0.9927018831625108
Energy: 1.2844663593228154
Energy: 0.9937810948477099
Energy: 1.007237974883765
Energy: 0.9937810948492892
Energy: 1.4535287337940277
Energy: 0.9941165646257935
Energy: 1.0597709317312773
Energy: 0.9941165646290258
Energy: 1.3451567613217474
Energy: 1.0024385421685416
Energy: 1.0347360558662857
Energy: 1.0024385421685416
Energy: 1.4532903865864109
Energy: 1.1437863728744238
Energy: 1.1938547381725035
Energy: 1.143786372877656
Energy: 1.4447598275931663
Energy: 1.0331739556690371
Energy: 1.0332923847864206
Energy: 1.0331739556690371
Energy: 1.2654279035085017
Energy: 0.9922839714704673
Energy: 1.0339823941002186
Energy: 0.9922839714688512

minimum gb energy = 0.9922839714688512 eV
minimum distance =  2.320520839183 Angstroms
sigma value = 9


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

Energy: 1.026528241370631
Energy: 1.0258323820216166
Energy: 2.3768038418809048
Energy: 1.0258323820223836
Energy: 1.0251460639756607
Energy: 1.0371875037171205
Energy: 1.0377271453889891
Energy: 1.037187503716551
Energy: 1.1441893534049021
Energy: 1.0757357224127613
Energy: 1.144123666587435
Energy: 1.075735722412564
Energy: 1.0372516892626673
Energy: 1.0374652242339724
Energy: 1.1491826024598688
Energy: 1.0374652242351334
Energy: 1.0372723427756736
Energy: 1.0374590656351175
Energy: 1.1443006609158297
Energy: 1.037459065635687
Energy: 1.6934102773176725
Energy: 1.0373667101886292
Energy: 1.037272902068439
Energy: 1.0373667101874684
Energy: 1.1439487359087082
Energy: 1.0373047076089033
Energy: 1.0373955797404761
Energy: 1.0373047076100643
Energy: 1.1442874715610918
Energy: 1.1438747863071832
Energy: 1.537305317919646
Energy: 1.1438747863075773
Energy: 1.3095119456494053
Energy: 1.037191870316706
Energy: 1.0246535952397582
Energy: 1.0371918703172978
Energy: 1.3094710593675527
Energy: 1.025064694266718
Energy: 1.0248626288584546
Energy: 1.0250646942663457
Energy: 1.1492095603534591
Energy: 1.1369776468885882
Energy: 1.539168739321797
Energy: 1.1369776468887636
Energy: 1.1442931831554635
Energy: 1.0251736249582994
Energy: 1.1437825760718587
Energy: 1.0251736249571382
Energy: 1.308967110009999
Energy: 1.0381838954307694
Energy: 1.0379187692598162
Energy: 1.038183895430397
Energy: 1.1438129081342883
Energy: 1.1201374130065782
Energy: 1.1438971454765978
Energy: 1.1201374130067756
Energy: 1.0386296913260709
Energy: 1.0381808083961692
Energy: 1.3089671100090352
Energy: 1.0381808083963662
Energy: 1.143773836876562
Energy: 1.0246057093221164
Energy: 1.1442757152542287
Energy: 1.0246057093222918
Energy: 1.539085680490325
Energy: 1.1370607400363177
Energy: 1.1492024011586692
Energy: 1.137060740035551
Energy: 1.024851765245524
Energy: 1.0251018900938742
Energy: 1.309471059367925
Energy: 1.0251018900940714
Energy: 1.0246392039544612
Energy: 1.0371801327925732
Energy: 1.3095119456517055
Energy: 1.03718013279277
Energy: 1.5374276742829949
Energy: 1.1438669284853022
Energy: 1.144363847421307
Energy: 1.1438669284847327
Energy: 1.0373744212822138
Energy: 1.0380256751808214
Energy: 1.143792187075982
Energy: 1.0380256751800545

minimum gb energy = 1.0246057093221164 eV
minimum distance =  2.29353927930451 Angstroms
sigma value = 25


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

Energy: 1.1287790750838655
Energy: 1.3758280695057803
Energy: 2.2973502619915367
Energy: 1.3758280695057803
Energy: 1.5009327776593022
Energy: 1.2102165236370546
Energy: 1.158202240698695
Energy: 1.2102165236351579
Energy: 1.312502544602372
Energy: 1.1610072898614363
Energy: 1.1576276094838425
Energy: 1.1610072898612194
Energy: 1.1476768188194082
Energy: 1.128834344916891
Energy: 1.1600098274265553
Energy: 1.1288343449166471
Energy: 1.2525924111008908
Energy: 1.203856707536698
Energy: 1.5102655092373476
Energy: 1.2038567075376458
Energy: 1.577042282252842
Energy: 1.1047113771408976
Energy: 1.104418551122516
Energy: 1.1047113771425774
Energy: 1.2814063685838861
Energy: 1.1282697090938645
Energy: 1.176037169096392
Energy: 1.128269709095761
Energy: 1.2081586168770821
Energy: 1.213189006472424
Energy: 1.5297729835558176
Energy: 1.2131890064728845
Energy: 1.2044488044431334
Energy: 1.1046422264526403
Energy: 1.1043720736387665
Energy: 1.1046422264528841
Energy: 1.3125754454487664
Energy: 1.1046356389478607
Energy: 1.1042838504502501
Energy: 1.1046356389464247
Energy: 1.1281229449961936
Energy: 1.1288173053398811
Energy: 1.4484326972158243
Energy: 1.1288173053398811
Energy: 1.1282455372224507
Energy: 1.1042071064450987
Energy: 1.160304831217104
Energy: 1.1042071064470222
Energy: 1.388386052766933
Energy: 1.1602801670180505
Energy: 1.1608611099004673
Energy: 1.16028016701759
Energy: 1.5036664623037606
Energy: 1.1042212349942504
Energy: 1.332170969237064
Energy: 1.1042212350192846
Energy: 1.3223410931249775
Energy: 1.3369892547492759
Energy: 1.330858135456402
Energy: 1.3369892547490592
Energy: 1.501364112545899
Energy: 1.129127320011401
Energy: 1.1602669580308722
Energy: 1.1291273200123493
Energy: 1.1290564266294054
Energy: 1.105537874839605
Energy: 1.16170957589901
Energy: 1.105537874838169

minimum gb energy = 1.1042071064450987 eV
minimum distance =  2.28414844572879 Angstroms
sigma value = 17


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

Energy: 1.4423980537212762
Energy: 1.3259395318228857
Energy: 2.2372052995495637
Energy: 1.3259395318242362
Energy: 1.3676160293964204
Energy: 1.218010715760415
Energy: 1.2093735896282567
Energy: 1.218010715756364
Energy: 1.1603419047620442
Energy: 1.1479155294536225
Energy: 1.170708123314024
Energy: 1.147915529452272
Energy: 1.1349666100326048
Energy: 1.134424632865926
Energy: 1.1826293033357635
Energy: 1.134424632869977
Energy: 1.1652815504666014
Energy: 1.223015730430681
Energy: 1.4053763036200322
Energy: 1.2230157304279803
Energy: 1.5163321137270198
Energy: 1.3067066473568634
Energy: 1.1477497595047186
Energy: 1.3067066473555131
Energy: 1.310645118989773
Energy: 1.1334829781312712
Energy: 1.4071126183572962
Energy: 1.1334829781326217
Energy: 1.1926426224855187
Energy: 1.1338524758760236
Energy: 1.4527774743854784
Energy: 1.1338524758773738
Energy: 1.2128880985123895
Energy: 1.1444955918539066
Energy: 1.1418066863301548
Energy: 1.1444955918525566
Energy: 1.4395795258658697
Energy: 1.22432379023341
Energy: 1.1428756320219875
Energy: 1.22432379023341
Energy: 1.1405093878264863
Energy: 1.1382839544155472
Energy: 1.416723790664039
Energy: 1.1382839544168977
Energy: 1.1377895530290085
Energy: 1.1425042922183664
Energy: 1.2734206651112356
Energy: 1.1425042921967923
Energy: 1.4398186843272944
Energy: 1.1952616679636137
Energy: 1.2292010074646411
Energy: 1.1952616679622632
Energy: 1.1376885787828657
Energy: 1.1382382644338576
Energy: 1.2242563744673702
Energy: 1.1382382644352078
Energy: 1.13788559776571
Energy: 1.229239244982346
Energy: 1.4711790931721003
Energy: 1.2292392449836962
Energy: 1.3908212279998458
Energy: 1.142141500857006
Energy: 1.14080821016048
Energy: 1.142141500857006
Energy: 1.191830338763398
Energy: 1.3002650904501825
Energy: 1.1425379171712324
Energy: 1.3002650904528832
Energy: 1.180266369710069
Energy: 1.198095469559556
Energy: 1.3871145435894283
Energy: 1.198095469559556
Energy: 1.3113827028399776
Energy: 1.3032765186719135
Energy: 1.3883271750312942
Energy: 1.3032765186719135
Energy: 1.5321714862216496
Energy: 1.224812040404466
Energy: 1.3896525009083143
Energy: 1.2248120404017653
Energy: 1.1443522213791426
Energy: 1.160019867147354
Energy: 1.4099425308035403
Energy: 1.1600198671500548
Energy: 1.1457297118216947
Energy: 1.1421155243296872
Energy: 1.1594403056179832
Energy: 1.1421155243323875
Energy: 1.3699485534876659
Energy: 1.1597311389129814
Energy: 1.1514812895336515
Energy: 1.1597311389129814
Energy: 1.3955151797961465
Energy: 1.1338992699381945
Energy: 1.4056053305086709
Energy: 1.1338992699381945
Energy: 1.4147524198599988
Energy: 1.133633753559032
Energy: 1.4016520180949459
Energy: 1.1336337535482297
Energy: 1.3953810622959708
Energy: 1.1601903300203327
Energy: 1.1590778243844413
Energy: 1.1601903300176322
Energy: 1.1456745941124598
Energy: 1.142482777555074
Energy: 1.151697455240129
Energy: 1.1424827775523736
Energy: 1.1445578500264475
Energy: 1.1442375126107538
Energy: 1.396550600336891
Energy: 1.1442375126107538
Energy: 1.159534642913192
Energy: 1.224476449437246
Energy: 1.392339485925366
Energy: 1.224476449435896
Energy: 1.2684072660308994
Energy: 1.3068303319083465
Energy: 1.1466206014231974
Energy: 1.3068303319083465

minimum gb energy = 1.1334829781312712 eV
minimum distance =  2.26199890348667 Angstroms
sigma value = 53


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

Energy: 1.0527239007901643
Energy: 1.0713366897325909
Energy: 2.322163489971703
Energy: 1.071336689732909
Energy: 1.0527627141241216
Energy: 1.0999004775438759
Energy: 1.0524653504933366
Energy: 1.0999004775441938
Energy: 1.5475075608242645
Energy: 1.1610268459208377
Energy: 1.1347164393264166
Energy: 1.1610268459208377
Energy: 1.1346935698255791
Energy: 1.1610911025589687
Energy: 1.5475475493456639
Energy: 1.1610911025583683
Energy: 1.0524402397685944
Energy: 1.0998793028802918
Energy: 1.0533413673557075
Energy: 1.0998793028799738
Energy: 2.322163489966404
Energy: 1.0713366897331913
Energy: 1.0527239007898463
Energy: 1.0713366897331913
Energy: 1.0524653504930537
Energy: 1.0999004775448298
Energy: 1.0527627141250755
Energy: 1.0999004775445118
Energy: 1.1347164393264166
Energy: 1.1610268459214736
Energy: 1.5475075608242645
Energy: 1.1610268459217916
Energy: 1.547547549344427
Energy: 1.1610911025592867
Energy: 1.1346935698255791
Energy: 1.1610911025592867
Energy: 1.0533413673547891
Energy: 1.0998793028805744
Energy: 1.0524402397682766
Energy: 1.0998793028796559
Energy: 1.0527239007898463
Energy: 1.071336689732909
Energy: 2.3221634899726213
Energy: 1.0713366897325909
Energy: 1.0527627141247573
Energy: 1.0999004775441938
Energy: 1.0524653504936543
Energy: 1.0999004775438759
Energy: 1.5475075608242645
Energy: 1.1610268459211557
Energy: 1.1347164393270526
Energy: 1.1610268459205197

minimum gb energy = 1.0524402397682766 eV
minimum distance =  2.26641461486843 Angstroms
sigma value = 9


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

Energy: 1.2936781573526321
Energy: 1.3072761649708995
Energy: 2.1976542793192575
Energy: 1.3072761649720501
Energy: 1.5196514776669778
Energy: 1.2718398450052628
Energy: 1.2609647392286107
Energy: 1.2718398450041124
Energy: 1.2139512473710623
Energy: 1.1796011720808453
Energy: 1.1788849210884778
Energy: 1.1796011720831463
Energy: 1.2186419000340405
Energy: 1.2535125817551847
Energy: 1.2506608277936917
Energy: 1.2535125817540342
Energy: 1.3085174622542817
Energy: 1.174824725730929
Energy: 1.498384854712502
Energy: 1.1748247257320794
Energy: 1.4859855897727559
Energy: 1.25698928846542
Energy: 1.2795671242804387
Energy: 1.256989288467721
Energy: 1.2348444578246263
Energy: 1.27189672096399
Energy: 1.5551147410876864
Energy: 1.2718967209651404
Energy: 1.1749997742007703
Energy: 1.2306201633171092
Energy: 1.2534299673410532
Energy: 1.2306201633171092
Energy: 1.235679279056454
Energy: 1.2390259391978433
Energy: 1.2327051216748552
Energy: 1.2390259391989937
Energy: 1.3004082021942374
Energy: 1.1791986816043951
Energy: 1.3091472634933359
Energy: 1.1791986816009434
Energy: 1.191467612977017
Energy: 1.2543672089853646
Energy: 1.5430982753123232
Energy: 1.254367208979612
Energy: 1.6016610758496355
Energy: 1.2992071525413729
Energy: 1.2275801256792025
Energy: 1.2992071525413729
Energy: 1.2498974769686022
Energy: 1.1858610771840061
Energy: 1.1885651159556867
Energy: 1.1858610771805547
Energy: 1.2613913309706077
Energy: 1.2865620920582146
Energy: 1.3312656763380344
Energy: 1.2865620920536123
Energy: 1.292600046032932
Energy: 1.2790798452780814
Energy: 1.2283528606809022
Energy: 1.2790798452746295
Energy: 1.4853816963446043
Energy: 1.187395458184453
Energy: 1.191309667761755
Energy: 1.1873954581787003
Energy: 1.2775681571437163
Energy: 1.2588187526149346
Energy: 1.6306980563698277
Energy: 1.2588187526149346
Energy: 1.194465332823553
Energy: 1.2503689015056612
Energy: 1.3062682054558545
Energy: 1.25036890150336
Energy: 1.535224875120167
Energy: 1.2744994573325
Energy: 1.2296614840969695
Energy: 1.2744994573301989
Energy: 1.218566453633768
Energy: 1.2712472649020339
Energy: 1.2287720481511084
Energy: 1.271247264904335
Energy: 1.1774177090897056
Energy: 1.196756582613862
Energy: 1.4683746767735557
Energy: 1.1967565826150126
Energy: 1.436944772312
Energy: 1.2819222174205973
Energy: 1.278727927009785
Energy: 1.2819222174550617
Energy: 1.3618662320142243
Energy: 1.2549503675104845
Energy: 1.2784083884654986
Energy: 1.2549503675093339
Energy: 1.2697382059947588
Energy: 1.2139727478843203
Energy: 1.52024557848436
Energy: 1.2139727478785676
Energy: 1.2285930963768044
Energy: 1.268590778778597
Energy: 1.2016705754560038
Energy: 1.2685907787831991
Energy: 1.3729449450391333
Energy: 1.251488790032875
Energy: 1.2035472780122418
Energy: 1.251488790028273
Energy: 1.4948711866145221
Energy: 1.2672092860743547
Energy: 1.4432935276287053
Energy: 1.2672092860743547
Energy: 1.2929723182742563
Energy: 1.2672952524934458
Energy: 1.4439242645020052
Energy: 1.2672952524991983
Energy: 1.4872295870486854
Energy: 1.210014419574777
Energy: 1.2166851032856292
Energy: 1.2100144195770781
Energy: 1.2242268451169613
Energy: 1.311886460000934
Energy: 1.2031807809593633
Energy: 1.311886460000934
Energy: 1.2078795392157637
Energy: 1.2549368466980604
Energy: 1.5146401071122346
Energy: 1.2549368466946087
Energy: 1.3618678923646501
Energy: 1.2630752500978968
Energy: 1.2803380879862827
Energy: 1.2630752500978968
Energy: 1.563175400997071
Energy: 1.26410943006861
Energy: 1.284150545201603
Energy: 1.26410943006861
Energy: 1.2232521684718347
Energy: 1.1933242628780394
Energy: 1.4704505681746194
Energy: 1.1933242628826415
Energy: 1.2063474631411584
Energy: 1.2716502401659036
Energy: 1.22865888690628
Energy: 1.2716502401613536

minimum gb energy = 1.174824725730929 eV
minimum distance =  2.23393085362379 Angstroms
sigma value = 73


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

Energy: 1.4048540765534538
Energy: 1.2920653231472858
Energy: 2.2350670296483353
Energy: 1.2920653231469332
Energy: 1.3685793438753195
Energy: 1.2805777254116169
Energy: 1.3066701264561984
Energy: 1.2805777254103308
Energy: 1.24767530954409
Energy: 1.2322946820522467
Energy: 1.193638964993696
Energy: 1.2322946820531595
Energy: 1.2187967360328877
Energy: 1.198223717994465
Energy: 1.309043936214967
Energy: 1.198223717994465
Energy: 1.3714033473064051
Energy: 1.1982394114341026
Energy: 1.336703156462573
Energy: 1.1982394114333768
Energy: 1.6663154505591353
Energy: 1.2835301436666442
Energy: 1.2032590889022634
Energy: 1.2835301436673912
Energy: 1.2515570206556303
Energy: 1.2755282947411595
Energy: 1.4391911499962542
Energy: 1.2755282947400601
Energy: 1.1999613510965015
Energy: 1.1982249144273507
Energy: 1.2781737847448025
Energy: 1.1982249144295287
Energy: 1.4262863446385898
Energy: 1.2330390557975421
Energy: 1.333468186543125
Energy: 1.2330390557973554
Energy: 1.2421549703807875
Energy: 1.2330578146936177
Energy: 1.322157936525061
Energy: 1.2330578146928919
Energy: 1.1979836951744285
Energy: 1.1979528257613752
Energy: 1.572306102851515
Energy: 1.1979528257601098
Energy: 1.4256837014163153
Energy: 1.2862805849485226
Energy: 1.3351366679900347
Energy: 1.2862805849494354
Energy: 1.3705043731825706
Energy: 1.2821390770215757
Energy: 1.200463020969362
Energy: 1.2821390770226753
Energy: 1.2476369997984662
Energy: 1.3410679765756817
Energy: 1.6637783990336488
Energy: 1.3410679765765945
Energy: 1.2187069863025626
Energy: 1.2859676187067948
Energy: 1.2650763087360206
Energy: 1.2859676187066083
Energy: 1.339235003917441
Energy: 1.2325887603114865
Energy: 1.2288503508440642
Energy: 1.232588760310221
Energy: 1.3327051738260691
Energy: 1.2854849804797306
Energy: 1.587519339836693
Energy: 1.2854849804813693
Energy: 1.3327543144454916
Energy: 1.291938975051004
Energy: 1.5237553249496272
Energy: 1.2919389750504644
Energy: 1.5757634833996563
Energy: 1.233115771705715
Energy: 1.2864900221329243
Energy: 1.2331157717110253
Energy: 1.2185576577264376
Energy: 1.3356980922161623
Energy: 1.1937660362864202
Energy: 1.3356980922161623
Energy: 1.2474915578319898
Energy: 1.3077714475732012
Energy: 1.592823875076281
Energy: 1.307771447570463
Energy: 1.3705387123145383
Energy: 1.286076428689033
Energy: 1.200431211902648
Energy: 1.2860764286873942

minimum gb energy = 1.193638964993696 eV
minimum distance =  2.23148758034448 Angstroms
sigma value = 7


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

Energy: 1.495197425463355
Energy: 1.307315083019119
Energy: 2.2275541068331437
Energy: 1.3073150830204097
Energy: 1.4306560078080033
Energy: 1.3019552042443303
Energy: 1.2619263626761588
Energy: 1.3019552042430396
Energy: 1.2989618043745423
Energy: 1.2285665600353048
Energy: 1.229036291335554
Energy: 1.2285665600340143
Energy: 1.2542318993150865
Energy: 1.2004549444998174
Energy: 1.2298277358586756
Energy: 1.2004549444985269
Energy: 1.3204485164751438
Energy: 1.2282749351573397
Energy: 1.201281899438171
Energy: 1.2282749351625026
Energy: 1.6714232113429346
Energy: 1.200276885722319
Energy: 1.2027953214871838
Energy: 1.200276885722319
Energy: 1.274784470612501
Energy: 1.3172714602370081
Energy: 1.4958230889243476
Energy: 1.3172714602357174
Energy: 1.2028033465526258
Energy: 1.2002681325598028
Energy: 1.3164915939686486
Energy: 1.2002681325610935
Energy: 1.4167371166194656
Energy: 1.2286476482570166
Energy: 1.263007066316755
Energy: 1.2286476482544348
Energy: 1.2296741636966948
Energy: 1.2004901169874354
Energy: 1.2548695936893122
Energy: 1.200490116988726
Energy: 1.230105475524601
Energy: 1.2294451737601595
Energy: 1.3720991238071476
Energy: 1.2294451737575778
Energy: 1.6072482153444847
Energy: 1.2814926475822088
Energy: 1.380626629765423
Energy: 1.2814926475822088
Energy: 1.7241903106146674
Energy: 1.3233318436247596
Energy: 1.3812687235969798
Energy: 1.323331843628632
Energy: 1.2308925921234422
Energy: 1.2298054457501926
Energy: 1.6228617934898082
Energy: 1.2298054457501926
Energy: 1.2294499600853064
Energy: 1.2773679263111162
Energy: 1.2504813450490568
Energy: 1.2773679263098252
Energy: 1.5754095631884226
Energy: 1.4661461465498518
Energy: 1.2997162964094968
Energy: 1.4661461465472703
Energy: 1.20019415534084
Energy: 1.2020266788248897
Energy: 1.3168214958024935
Energy: 1.202026678828762
Energy: 1.2702232643785956
Energy: 1.3032762335613015
Energy: 1.553980322369916
Energy: 1.3032762335613015
Energy: 1.6672369600639605
Energy: 1.201645756296686
Energy: 1.2001725534116776
Energy: 1.2016457562953953
Energy: 1.3169093515243933
Energy: 1.229298278210863
Energy: 1.2004439752848945
Energy: 1.2292982782121538
Energy: 1.297194150536862
Energy: 1.3474580438778683
Energy: 1.2931641405858645
Energy: 1.347458043879159
Energy: 1.2502648795735858
Energy: 1.2295767501322339
Energy: 1.232037503750025
Energy: 1.2295767501322339
Energy: 1.5123800301882486
Energy: 1.2911179702467264
Energy: 1.292734707833588
Energy: 1.291117970241563
Energy: 1.381836338778937
Energy: 1.310713032337933
Energy: 1.6074667502168904
Energy: 1.3107130323366423
Energy: 1.379746033828208
Energy: 1.200487907671238
Energy: 1.323068669002884
Energy: 1.2004879076725286
Energy: 1.3755350256485306
Energy: 1.2287015868425384
Energy: 1.2316520845201493
Energy: 1.2287015868438291
Energy: 1.2514951250553226
Energy: 1.2000323383328022
Energy: 1.2299890537481313
Energy: 1.2000323383328022
Energy: 1.3167892495407643
Energy: 1.2283246975007105
Energy: 1.4213990624884418
Energy: 1.2283246975007105
Energy: 1.3172839230757039
Energy: 1.1998020797726499
Energy: 1.1997643988532432
Energy: 1.1998020797726499
Energy: 1.5008484487708647
Energy: 1.3014609748116792
Energy: 1.4957012960201095
Energy: 1.3014609748103885
Energy: 1.1997645480981414
Energy: 1.199758021158719
Energy: 1.3172839230718314
Energy: 1.1997580211574284

minimum gb energy = 1.1997580211574284 eV
minimum distance =  2.27893304981794 Angstroms
sigma value = 29


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

Energy: 1.1384719199286732
Energy: 1.2912203221268592
Energy: 2.2120858353098676
Energy: 1.2912203221255354
Energy: 1.5290619139696475
Energy: 1.2148061911161259
Energy: 1.1886327304030546
Energy: 1.2148061911174248
Energy: 1.5059988754464664
Energy: 1.1685511303839162
Energy: 1.1703261984979696
Energy: 1.1685511303839162
Energy: 1.5638424311379526
Energy: 1.29144021495152
Energy: 1.1671209876878463
Energy: 1.2914402149510953
Energy: 1.5866890877100273
Energy: 1.2506034365475303
Energy: 1.1688257271521558
Energy: 1.250603436547081
Energy: 1.392073109438594
Energy: 1.168678830607456
Energy: 1.1686453877336793
Energy: 1.168678830607906
Energy: 1.462934675227205
Energy: 1.246770896918816
Energy: 1.8187056196601676
Energy: 1.2467708969196902
Energy: 1.1354238684628406
Energy: 1.245981384893956
Energy: 1.818742365892256
Energy: 1.245981384893956
Energy: 1.5287990168253565
Energy: 1.3308792054254401
Energy: 1.2495337710606917
Energy: 1.3308792054250156

minimum gb energy = 1.1354238684628406 eV
minimum distance =  2.27819205525641 Angstroms
sigma value = 5


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

Energy: 1.3667392072800417
Energy: 1.340632879420807
Energy: 1.9772759051528335
Energy: 1.3406328794256843
Energy: 1.5543365738323294
Energy: 1.2224719826056765
Energy: 1.3326126080916703
Energy: 1.22247198259958
Energy: 1.2393622085343006
Energy: 1.2791310498533597
Energy: 1.2408312304398161
Energy: 1.2791310498557982
Energy: 1.2402607764507727
Energy: 1.2573026335973816
Energy: 1.3750698762037814
Energy: 1.2573026335998203
Energy: 1.1885892257400716
Energy: 1.2583038821941384
Energy: 1.2181288041559668
Energy: 1.2583038821941384
Energy: 1.2768939457895923
Energy: 1.2713566285493316
Energy: 1.2161142029089593
Energy: 1.2713566285456739
Energy: 1.3170949893802868
Energy: 1.2548522975770589
Energy: 1.3910035968583125
Energy: 1.2548522975794976
Energy: 1.3190095525746297
Energy: 1.269668309307722
Energy: 1.4414527525899656
Energy: 1.2696683093040642
Energy: 1.4910244553632075
Energy: 1.2249162380031728
Energy: 1.3249798711740262
Energy: 1.2249162380031728
Energy: 1.4938028840519828
Energy: 1.224749291819162
Energy: 1.3265994882983063
Energy: 1.224749291819162
Energy: 1.237660580369791
Energy: 1.2714902093753793
Energy: 1.2573990525647307
Energy: 1.271490209377818
Energy: 1.23704818259368
Energy: 1.2854466826239297
Energy: 1.212121005476372
Energy: 1.2854466826239297
Energy: 1.386907353190202
Energy: 1.2895175941421955
Energy: 1.2093173705065894
Energy: 1.2895175941458537
Energy: 1.2107859753369423
Energy: 1.2593528793932667
Energy: 1.212367342806654
Energy: 1.2593528793920472
Energy: 1.2250326937389038
Energy: 1.3494379861918733
Energy: 1.455260034931932
Energy: 1.3494379861882155
Energy: 1.496285620947087
Energy: 1.3212960578487096
Energy: 1.3213516324478833
Energy: 1.3212960578450517
Energy: 1.4798246881469554
Energy: 1.2559421727001892
Energy: 1.4664819560371027
Energy: 1.2559421727001892
Energy: 1.239244653402678
Energy: 1.2782588122503868
Energy: 1.4388336069433392
Energy: 1.2782588122528256
Energy: 1.311321740936839
Energy: 1.2323663720532791
Energy: 1.271431550588293
Energy: 1.2323663720544984
Energy: 1.227915343260796
Energy: 1.2766091054219557
Energy: 1.21606521724891
Energy: 1.2766091054219557
Energy: 1.236902187215234
Energy: 1.25042246726489
Energy: 1.2480104517218367
Energy: 1.2504224672612319
Energy: 1.3643552427694354
Energy: 1.2587610245574767
Energy: 1.234236219875724
Energy: 1.2587610245635732
Energy: 1.2402249569972337
Energy: 1.280570016793271
Energy: 1.232766271714597
Energy: 1.2805700167871745
Energy: 1.4439478160352337
Energy: 1.230431030839556
Energy: 1.6165958242755645
Energy: 1.2304310310150797
Energy: 1.438705975292212
Energy: 1.2303596354146127
Energy: 1.5979603965280127
Energy: 1.2303596354133934
Energy: 1.3820729715815205
Energy: 1.2583146617625092
Energy: 1.2306805288086797
Energy: 1.2583146617673864
Energy: 1.2414124001498619
Energy: 1.257674358091563
Energy: 1.2323701337221908
Energy: 1.2576743580903438
Energy: 1.254674744668003
Energy: 1.2544347681773869
Energy: 1.4140180834956737
Energy: 1.2544347681725097
Energy: 1.2288920174312683
Energy: 1.2806254473348266
Energy: 1.2140789988904659
Energy: 1.2806254473372654
Energy: 1.4610863877091904
Energy: 1.3459037659706397
Energy: 1.2977311600421777
Energy: 1.3459037659706397
Energy: 1.2740304983899453
Energy: 1.2770141030328623
Energy: 1.3458508941422802
Energy: 1.2770141030340816
Energy: 1.3418026361104132
Energy: 1.2095752672919438
Energy: 1.5564947185262417
Energy: 1.2095752672919438
Energy: 1.6540435163308556
Energy: 1.3209671483783385
Energy: 1.3252533617590065
Energy: 1.320967148380777

minimum gb energy = 1.1885892257400716 eV
minimum distance =  2.23143985733492 Angstroms
sigma value = 1


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

Energy: 1.2215319740733854
Energy: 1.2109534975607052
Energy: 1.9782655916731708
Energy: 1.2109534975607052
Energy: 1.1868311574599144
Energy: 1.2310571911925603
Energy: 1.2204609843638299
Energy: 1.2310571911908745
Energy: 1.3130934871403115
Energy: 1.220593767941545
Energy: 1.2450306986617814
Energy: 1.220593767939859
Energy: 1.210371131420902
Energy: 1.2198627906103003
Energy: 1.221990750380853
Energy: 1.2198627906103003
Energy: 1.1609311314993869
Energy: 1.2103045994857473
Energy: 1.1629498855201
Energy: 1.2103045994857473
Energy: 1.1623881323452427
Energy: 1.1617419526280512
Energy: 1.1618797772938523
Energy: 1.1617419526263653
Energy: 1.2226960980375454
Energy: 1.220128891380471
Energy: 1.3130229042114692
Energy: 1.220128891378785
Energy: 1.2223822349159275
Energy: 1.2186778678361674
Energy: 1.3132861903706874
Energy: 1.2186778678361674
Energy: 1.3652725765354425
Energy: 1.2097072461391036
Energy: 1.2110334794868802
Energy: 1.2097072461391036
Energy: 1.3652725765337566
Energy: 1.2097956352447423
Energy: 1.211028284588186
Energy: 1.2097956352430563
Energy: 1.222340733772432
Energy: 1.2187510225295473
Energy: 1.3132861903690016
Energy: 1.2187510225278615
Energy: 1.2226664746600902
Energy: 1.2201565612405623
Energy: 1.3130229042114692
Energy: 1.2201565612422482
Energy: 1.161566533548452
Energy: 1.1616924884340487
Energy: 1.1618893175189384
Energy: 1.1616924884357345
Energy: 1.160932519483955
Energy: 1.2102525680585536
Energy: 1.162891850681894
Energy: 1.2102525680585536
Energy: 1.2101657074544832
Energy: 1.2198407424682107
Energy: 1.2218220712222112
Energy: 1.2198407424698967
Energy: 1.313093487141997
Energy: 1.2205464725206592
Energy: 1.2454493892102105
Energy: 1.2205464725206592
Energy: 1.1868907069104275
Energy: 1.231076396544931
Energy: 1.2205068938812933
Energy: 1.231076396544931
Energy: 1.2215319740767572
Energy: 1.2109534975607052
Energy: 1.9782655917035166
Energy: 1.2109534975607052
Energy: 1.1868311574599144
Energy: 1.2310571911908745
Energy: 1.2204609843655159
Energy: 1.2310571911925603
Energy: 1.313093487141997
Energy: 1.220593767939859
Energy: 1.2450306986584099
Energy: 1.220593767939859
Energy: 1.2103711314276455
Energy: 1.2198627906119863
Energy: 1.221990750380853
Energy: 1.2198627906119863
Energy: 1.1609311314977007
Energy: 1.2103045994857473
Energy: 1.1629498855201
Energy: 1.2103045994857473
Energy: 1.1623881323452427
Energy: 1.1617419526263653
Energy: 1.1618797772955385
Energy: 1.1617419526280512
Energy: 1.2226960980375454
Energy: 1.220128891378785
Energy: 1.3130229042114692
Energy: 1.220128891378785

minimum gb energy = 1.1609311314977007 eV
minimum distance =  2.23430112405722 Angstroms
sigma value = 17


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

Energy: 1.395765605722692
Energy: 1.2295441842058707
Energy: 1.8845183909719507
Energy: 1.2295441841996186
Energy: 1.470278809868737
Energy: 1.2794690379699738
Energy: 1.3901124991539355
Energy: 1.27946903797831
Energy: 1.2006625665424993
Energy: 1.2240732870745483
Energy: 1.2223021192113952
Energy: 1.2240732870735063
Energy: 1.236966363656653
Energy: 1.2031184415582847
Energy: 1.3794013913991148
Energy: 1.2031184415687048
Energy: 1.2122146099922029
Energy: 1.2172687607865924
Energy: 1.212829976648495
Energy: 1.2172687607886763
Energy: 1.2244193678324884
Energy: 1.2203911516813437
Energy: 1.2099704610271096
Energy: 1.220391151682386
Energy: 1.216426116531966
Energy: 1.2203317769946098
Energy: 1.1806775131575453
Energy: 1.2203317769893998
Energy: 1.2164343667980888
Energy: 1.220033135069805
Energy: 1.219153379768854
Energy: 1.220033135069805
Energy: 1.4540761309872792
Energy: 1.2090207896936704
Energy: 1.368657536075626
Energy: 1.2090207896947125
Energy: 1.5018825156159394
Energy: 1.2096323440632182
Energy: 1.3654123683641273
Energy: 1.2096323440653018
Energy: 1.2645060947361497
Energy: 1.204453514765599
Energy: 1.4693243448026876
Energy: 1.2044535147676831
Energy: 1.26265494840783
Energy: 1.2044280609353875
Energy: 1.3853691393042926
Energy: 1.2044280609405502
Energy: 1.2264670466333976
Energy: 1.2240393932245557
Energy: 1.217945039760134
Energy: 1.2240393932276814
Energy: 1.188742289244408
Energy: 1.2178561401595855
Energy: 1.217911113590261
Energy: 1.2178561401585435
Energy: 1.1934050346940028
Energy: 1.2347576837277645
Energy: 1.2213550337119832
Energy: 1.2347576837246386
Energy: 1.1996936220312442
Energy: 1.2186973595562647
Energy: 1.1935053460099478
Energy: 1.2186973595573065
Energy: 1.3598825410763713
Energy: 1.1907793554319555
Energy: 1.255443250354898
Energy: 1.1907793554277875
Energy: 1.2594624693381786
Energy: 1.2283623367789913
Energy: 1.4016809974749136
Energy: 1.2283623367800334
Energy: 1.3536720626650525
Energy: 1.1944677291883767
Energy: 1.3701362133678447
Energy: 1.1944677291915027
Energy: 1.5908332908354266
Energy: 1.2112861174346725
Energy: 1.2711336842405516
Energy: 1.2112861174284204
Energy: 1.3070246558715806
Energy: 1.2942697540835755
Energy: 1.434116661923632
Energy: 1.2942697540741972
Energy: 1.2100656781497183
Energy: 1.2164382757334817
Energy: 1.180467061873214
Energy: 1.216438275728272
Energy: 1.3236760617422554
Energy: 1.2204901254862042
Energy: 1.259729657742975
Energy: 1.2204901254882883
Energy: 1.2031648019464587
Energy: 1.2192989453129153
Energy: 1.1756189008762228
Energy: 1.2192989453170835
Energy: 1.220963858802668
Energy: 1.2388300355434974
Energy: 1.2432816574062644
Energy: 1.2388300355403714
Energy: 1.2017800674671248
Energy: 1.217478950238406
Energy: 1.2212959763715572
Energy: 1.217478950233196
Energy: 1.3371799085440053
Energy: 1.2177920661578048
Energy: 1.2583528082721227
Energy: 1.2177920661578048
Energy: 1.3812779411844223
Energy: 1.18707200091858
Energy: 1.583276133612001
Energy: 1.187072000922748
Energy: 1.3730476779183045
Energy: 1.187028195189106
Energy: 1.5837403072025917
Energy: 1.187028195184938
Energy: 1.2010020675656228
Energy: 1.2176666866515249
Energy: 1.2214871027400052
Energy: 1.217666686649441
Energy: 1.2028350610916625
Energy: 1.2179983680175732
Energy: 1.258814903386313
Energy: 1.2179983680196573
Energy: 1.1984485063287706
Energy: 1.2328862236041866
Energy: 1.211611332595682
Energy: 1.2328862236062705
Energy: 1.2065318983169253
Energy: 1.2198170050935195
Energy: 1.1754145558036648
Energy: 1.2198170050935195
Energy: 1.2673682382942106
Energy: 1.2226917648024975
Energy: 1.190479940526553
Energy: 1.2226917648014555
Energy: 1.2162088709189216
Energy: 1.216716092886169
Energy: 1.2198444371181363
Energy: 1.2167160928851273
Energy: 1.3241949167979707
Energy: 1.1843088602453191
Energy: 1.38259914685972
Energy: 1.184308860246361
Energy: 1.6083233565225252
Energy: 1.2107210782174471
Energy: 1.2706368349118222
Energy: 1.2107210782143212
Energy: 1.3802378366488028
Energy: 1.1950085624625837
Energy: 1.4560037118709765
Energy: 1.1950085624657096

minimum gb energy = 1.1754145558036648 eV
minimum distance =  2.23733003343586 Angstroms
sigma value = 89


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

Energy: 1.2922180638146308
Energy: 1.1524542813661658
Energy: 1.8074413974504329
Energy: 1.1524542813656389
Energy: 1.250332531242941
Energy: 1.3397220486519676
Energy: 1.2723738376601461
Energy: 1.3397220486519676
Energy: 1.2459839856037054
Energy: 1.142396582089721
Energy: 1.149395058583226
Energy: 1.1423965820888846
Energy: 1.1653035435390349
Energy: 1.1568718219713474
Energy: 1.3186656720398289
Energy: 1.1568718219713474
Energy: 1.1673613263232772
Energy: 1.156665230484239
Energy: 1.138091261724518
Energy: 1.1566652304850444
Energy: 1.1599944011029502
Energy: 1.2843900289637615
Energy: 1.2221811958346962
Energy: 1.2843900289632348
Energy: 1.1592656803743056
Energy: 1.1427476664038174
Energy: 1.1380007294474939
Energy: 1.1427476664032599
Energy: 1.1606131686171857
Energy: 1.1652638816454506
Energy: 1.2662888666886982
Energy: 1.1652638816421974
Energy: 1.2452797660421528
Energy: 1.1569089834046695
Energy: 1.139830093460645
Energy: 1.1569089834041428
Energy: 1.1587887664098482
Energy: 1.1569415499855182
Energy: 1.1399228558717192
Energy: 1.1569415499847127
Energy: 1.2501534443258824
Energy: 1.1427155441825947
Energy: 1.278307372132172
Energy: 1.1427155441825947
Energy: 1.2485045449741832
Energy: 1.1430707573793173
Energy: 1.2765445675278682
Energy: 1.1430707573785117
Energy: 1.2464132660737108
Energy: 1.1571732461514406
Energy: 1.1402017894920264
Energy: 1.157173246151967
Energy: 1.2452615671410796
Energy: 1.1567661491737526
Energy: 1.1395646705322615
Energy: 1.156766149172947
Energy: 1.1587847255925687
Energy: 1.1576105262201704
Energy: 1.193575435477626
Energy: 1.1576105262196124

minimum gb energy = 1.1380007294474939 eV
minimum distance =  2.23653223634109 Angstroms
sigma value = 13


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

Energy: 1.2100494663260508
Energy: 1.1120625073242476
Energy: 1.7180228558688038
Energy: 1.112062507323105
Energy: 1.18750358230908
Energy: 1.2546727546204248
Energy: 1.1589044948302614
Energy: 1.2546727546204248
Energy: 1.162157072629165
Energy: 1.082861093885234
Energy: 1.1639427182579838
Energy: 1.0828610938840912
Energy: 1.1437014735584194
Energy: 1.1553859472655248
Energy: 1.1607703255246722
Energy: 1.1553859472666674
Energy: 1.1140618787172305
Energy: 1.0913988952889135
Energy: 1.1131523345195842
Energy: 1.0913988952889135
Energy: 1.2170338480884915
Energy: 1.090660978434743
Energy: 1.1479211135593028
Energy: 1.0906609784336003
Energy: 1.1141775630416648
Energy: 1.0828902647086567
Energy: 1.118964042911439
Energy: 1.0828902647097995
Energy: 1.1208807377671548
Energy: 1.1125812144800546
Energy: 1.114664602136788
Energy: 1.1125812144458243
Energy: 1.1132374482574865
Energy: 1.0908911065762426
Energy: 1.1048346025070435
Energy: 1.0908911065751
Energy: 1.2871027603236096
Energy: 1.091331806860652
Energy: 1.1580407102455146
Energy: 1.091331806860652
Energy: 1.1599981634869967
Energy: 1.0819410000127534
Energy: 1.1630422546280026
Energy: 1.081941000015039
Energy: 1.1442667670071687
Energy: 1.0853865027607617
Energy: 1.112757798521614
Energy: 1.0853865027584761
Energy: 1.1725030348280976
Energy: 1.1054288337220688
Energy: 1.1907769056069066
Energy: 1.1054288337220688
Energy: 1.194064213093044
Energy: 1.1081341100607447
Energy: 1.2847021897216273
Energy: 1.1081341100607447
Energy: 1.1597178645833974
Energy: 1.0816618288527118
Energy: 1.1620356177015034
Energy: 1.0816618288527118
Energy: 1.1442667289236421
Energy: 1.081987922844983
Energy: 1.1678768441789016
Energy: 1.0819879228461258
Energy: 1.1726383856661577
Energy: 1.0906729372088462
Energy: 1.1052134036716583
Energy: 1.0906729372088462
Energy: 1.1180568315338781
Energy: 1.0910416683549156
Energy: 1.1688324299016761
Energy: 1.091041668353773
Energy: 1.1143084451980259
Energy: 1.081071147339888
Energy: 1.120590023132821
Energy: 1.081071147339888
Energy: 1.1203679294466422
Energy: 1.081144925708607
Energy: 1.1142028842557297
Energy: 1.0811449257074643
Energy: 1.1690061276174066
Energy: 1.0910443264824126
Energy: 1.1194845432705127
Energy: 1.0910443264812697
Energy: 1.1051555284296763
Energy: 1.0906674006473482
Energy: 1.1726383856684433
Energy: 1.0906674006473482
Energy: 1.167876844177759
Energy: 1.0808617307016073
Energy: 1.1443698045482806
Energy: 1.0808617306993218
Energy: 1.1620356177015034
Energy: 1.0814810694583727
Energy: 1.1597122411783458
Energy: 1.0814810694606583
Energy: 1.284682058468228
Energy: 1.1081283376571158
Energy: 1.1940513204983485
Energy: 1.1081283376594013
Energy: 1.1907056388491586
Energy: 1.1054287895550117
Energy: 1.172503034831526
Energy: 1.1054287895561543
Energy: 1.1137065286962182
Energy: 1.0855038731415767
Energy: 1.1443361809660213
Energy: 1.0855038731415767
Energy: 1.1630422546291452
Energy: 1.0819444869751027
Energy: 1.1595503563255383
Energy: 1.0819444869716746
Energy: 1.1580831368406685
Energy: 1.0911532726966446
Energy: 1.2872273420052398
Energy: 1.0911532726966446
Energy: 1.104816634401984
Energy: 1.090931812789161
Energy: 1.1132047731382315
Energy: 1.090931812789161
Energy: 1.1149892411182747
Energy: 1.1128199976615412
Energy: 1.1210503680343231
Energy: 1.1128199976615412
Energy: 1.1192042338650983
Energy: 1.0828911369304326
Energy: 1.1140247688525056
Energy: 1.0828911369292897
Energy: 1.14778181289728
Energy: 1.090659175164633
Energy: 1.2170088720268244
Energy: 1.0906591751634904
Energy: 1.1130998842946027
Energy: 1.0914691514216732
Energy: 1.1140577452744218
Energy: 1.0914691514239587
Energy: 1.1608401674291045
Energy: 1.1556097702684736
Energy: 1.1445564961039154
Energy: 1.1556097702684736

minimum gb energy = 1.0808617306993218 eV
minimum distance =  2.25298930713021 Angstroms
sigma value = 37


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

Energy: 1.222855313913052
Energy: 1.0571386440065749
Energy: 1.6307959243016774
Energy: 1.0571386440055919
Energy: 1.2363918497311703
Energy: 1.3046567875426576
Energy: 1.1628388558005718
Energy: 1.3046567875430373
Energy: 1.1405112556180868
Energy: 1.0158343391893294
Energy: 1.149493826020184
Energy: 1.0158343391899103
Energy: 1.1817042986948312
Energy: 1.040185892151045
Energy: 1.1627902935156142
Energy: 1.04018589215281
Energy: 1.0930741392044183
Energy: 1.0154548205839795
Energy: 1.1344223735663523
Energy: 1.0154548205843814
Energy: 1.1822096600706362
Energy: 1.029239991862466
Energy: 1.1030851733894071
Energy: 1.029239991860701
Energy: 1.07012675068709
Energy: 1.0161630845972596
Energy: 1.0756471381552224
Energy: 1.0161630845976617
Energy: 1.123153566521006
Energy: 1.3786834236901104
Energy: 1.1408007095207555
Energy: 1.3786834236895298
Energy: 1.069384241387413
Energy: 1.014507924323545
Energy: 1.0966320276771901
Energy: 1.0145079243239474
Energy: 1.1819649748345782
Energy: 1.029824434874339
Energy: 1.0928364561401651
Energy: 1.0298244348757242
Energy: 1.0805586128887867
Energy: 1.0142806453547983
Energy: 1.1332481190231878
Energy: 1.0142806453557816
Energy: 1.0821627617040037
Energy: 1.0298280056645572
Energy: 1.246543031718971
Energy: 1.0298280056663223
Energy: 1.1409209498836796
Energy: 1.014302863739745
Energy: 1.140342857008002
Energy: 1.01430286374189
Energy: 1.0733823935918356
Energy: 1.014208467236304
Energy: 1.1396803640021285
Energy: 1.0142084672366838
Energy: 1.1833181195069367
Energy: 1.0550196666155165
Energy: 1.13296571591883
Energy: 1.0550196666157179
Energy: 1.1628491479505632
Energy: 1.0564409941076889
Energy: 1.1319406045534335
Energy: 1.0564409941076889
Energy: 1.1405307570223482
Energy: 1.014078366493786
Energy: 1.1398473472732331
Energy: 1.014078366495551
Energy: 1.1393365190621187
Energy: 1.014541359596573
Energy: 1.1398151787206112
Energy: 1.0145413595979582
Energy: 1.0796064213880503
Energy: 1.013945928558029
Energy: 1.1330541608476348
Energy: 1.0139459285570458
Energy: 1.0824204968226587
Energy: 1.0305616941483673
Energy: 1.1408817296597713
Energy: 1.030561694147965

minimum gb energy = 1.0139459285570458 eV
minimum distance =  2.2481590255964 Angstroms
sigma value = 25


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

Energy: 1.149677969852771
Energy: 0.9573491271478636
Energy: 1.4175095768615253
Energy: 0.9573491271493987
Energy: 1.0684127467084636
Energy: 1.214271887710236
Energy: 1.0227380518377667
Energy: 1.2142718877117713
Energy: 1.038739728524938
Energy: 0.9390031298335648
Energy: 1.1074032185181268
Energy: 0.9390031298335648
Energy: 1.053795627466507
Energy: 0.9868753460921441
Energy: 1.1090215260337097
Energy: 0.9868753460921441
Energy: 1.0436603153876163
Energy: 0.91838398518229
Energy: 1.019024794714352
Energy: 0.91838398518229
Energy: 1.053955862733627
Energy: 0.9640979377428739
Energy: 1.0592188521134605
Energy: 0.9640979377444091
Energy: 0.9918993139976496
Energy: 0.9204740041323978
Energy: 1.0242781833251204
Energy: 0.9204740041308624
Energy: 1.0324127261134535
Energy: 0.9242412915059954
Energy: 1.0803771539340905
Energy: 0.9242412915075305
Energy: 0.984005298967763
Energy: 0.9179637943942442
Energy: 0.9957632901731782
Energy: 0.9179637943957796
Energy: 1.0490418270750488
Energy: 1.289221169701954
Energy: 1.0196418503189986
Energy: 1.2892211697004188
Energy: 0.9841626635514845
Energy: 0.917820235029752
Energy: 0.9971230959692379
Energy: 0.9178202350312872
Energy: 1.031229599307614
Energy: 0.9272332243379323
Energy: 1.079910737792135
Energy: 0.9272332243363971
Energy: 0.9855996866372568
Energy: 0.9180419087462455
Energy: 1.0183933203684876
Energy: 0.9180419087477807
Energy: 1.02816143392533
Energy: 1.0246902648726894
Energy: 1.0190183230085723
Energy: 1.0246902648726894
Energy: 1.032333926328136
Energy: 0.9178615425443145
Energy: 1.0218387974973822
Energy: 0.9178615425427793
Energy: 1.0463897800997495
Energy: 0.9175568698057892
Energy: 0.9960045994251704
Energy: 0.917556869804254
Energy: 1.036044426866977
Energy: 0.9391624300295992
Energy: 1.0827866035339093
Energy: 0.9391624300280641
Energy: 0.9906564548520448
Energy: 0.969322149927197
Energy: 1.0597219897713164
Energy: 0.9693221499256617
Energy: 1.1227108003807498
Energy: 0.9562443649152877
Energy: 1.0223116626563635
Energy: 0.956244364916823
Energy: 1.0683296292250617
Energy: 0.9562640625888408
Energy: 1.0268323041476388
Energy: 0.9562640625873057
Energy: 1.036072298951395
Energy: 0.9393527313524719
Energy: 1.0825640581279954
Energy: 0.9393527313540071
Energy: 1.0307332808421543
Energy: 0.9390838399608044
Energy: 1.0595018752027443
Energy: 0.9390838399608044
Energy: 1.0326994721204967
Energy: 0.9186283304498885
Energy: 1.0187692839820897
Energy: 0.9186283304514238
Energy: 1.068016372083835
Energy: 0.9193691274635244
Energy: 1.0413766007206864
Energy: 0.9193691274635244
Energy: 0.9871387403707832
Energy: 0.9187224913579856
Energy: 1.0184351689067985
Energy: 0.9187224913610561
Energy: 1.0367473377363168
Energy: 0.9244595753796395
Energy: 1.0187842699034175
Energy: 0.9244595753781042

minimum gb energy = 0.917556869804254 eV
minimum distance =  2.25583708922716 Angstroms
sigma value = 41


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

Energy: 1.117486451214505
Energy: 0.8902338641795249
Energy: 1.2640104732105881
Energy: 0.8902338641795249
Energy: 0.9491022113544639
Energy: 1.0458154328556908
Energy: 0.9795681170548592
Energy: 1.0458154328531737
Energy: 0.9577678538024785
Energy: 0.8630205317792415
Energy: 1.0512937741949957
Energy: 0.8630205317767242
Energy: 0.9737634893800934
Energy: 0.9212164869972443
Energy: 0.9785403164207881
Energy: 0.9212164869733301
Energy: 1.025224735972737
Energy: 0.8524218719096156
Energy: 0.9367578086711619
Energy: 0.8524218719108743
Energy: 0.9742299186432152
Energy: 0.9131378264826766
Energy: 0.9731920213983309
Energy: 0.9131378264826766
Energy: 0.9360593202427585
Energy: 0.8409314299355048
Energy: 0.9720462178339273
Energy: 0.8409314299317289
Energy: 0.9756364193004412
Energy: 0.9157742735925215
Energy: 0.9728725822686528
Energy: 0.9157742735925215
Energy: 0.9650644154160187
Energy: 0.8410041174208904
Energy: 0.9183656072781741
Energy: 0.8410041174196317
Energy: 1.0020616254823018
Energy: 0.9555580383129894
Energy: 0.9734481971198122
Energy: 0.9555580384111347
Energy: 0.9351856964453293
Energy: 0.8409217659276311
Energy: 0.9284078612286232
Energy: 0.8409217659301483
Energy: 0.9510776352872808
Energy: 1.2277155233058064
Energy: 0.9854266488669827
Energy: 1.2277155233058064
Energy: 0.9363435508407102
Energy: 0.8410421146449583
Energy: 0.9272201682371247
Energy: 0.8410421146462169
Energy: 1.004254619176971
Energy: 0.8482649456565242
Energy: 0.9683791446753535
Energy: 0.8482649456540069
Energy: 0.9626135170104035
Energy: 0.8410808513799273
Energy: 0.9171546357110009
Energy: 0.8410808513837034
Energy: 0.9585343505551981
Energy: 0.9479100863225977
Energy: 1.0285169749288043
Energy: 0.9479100863163331
Energy: 0.9409002290191507
Energy: 0.8410456581372305
Energy: 0.9679293112878464
Energy: 0.8410456581372305
Energy: 0.9771263499895696
Energy: 0.8410855177610683
Energy: 0.9801256455144611
Energy: 0.8410855177572923
Energy: 1.0077129059311298
Energy: 0.8523745459138736
Energy: 0.9385495143204208
Energy: 0.8523745459138736
Energy: 0.984376380918783
Energy: 0.914263382143815
Energy: 0.942489525645728
Energy: 0.9142633821450736
Energy: 0.9554477586746427
Energy: 0.8619321593230566
Energy: 1.0289880496979016
Energy: 0.8619321593230566
Energy: 0.9488136509304839
Energy: 0.929745819688178
Energy: 0.9786758512332998
Energy: 0.929745819688178
Energy: 1.0857476559640438
Energy: 0.8897376847081363
Energy: 0.9401954606723546
Energy: 0.8897376847081363
Energy: 1.0047071158531315
Energy: 0.9263994763663893
Energy: 0.9513131420643498
Energy: 0.926399476367648
Energy: 0.9554610324291759
Energy: 0.8619900470326413
Energy: 1.0290865990261813
Energy: 0.8619900470338998
Energy: 0.9770095285830799
Energy: 0.9037236874240233
Energy: 0.9787933945803168
Energy: 0.9037236874252822
Energy: 1.0076181754944027
Energy: 0.8524956039279904
Energy: 0.9405295810463267
Energy: 0.8524956039317663
Energy: 0.9853342335721113
Energy: 0.8516256114435804
Energy: 0.9790020572803235
Energy: 0.8516256114498737
Energy: 0.938111850992199
Energy: 0.8411730129544976
Energy: 0.9679934267154815
Energy: 0.8411730129532392
Energy: 0.9745174435390974
Energy: 0.840726254904429
Energy: 0.9760798455348304
Energy: 0.8407262549031702
Energy: 0.9633665970818983
Energy: 0.8410374310519559
Energy: 0.9200031296133943
Energy: 0.8410374310532145
Energy: 0.9589524468634903
Energy: 0.8451679752662806
Energy: 0.9631251504179738
Energy: 0.845167975265022

minimum gb energy = 0.8407262549031702 eV
minimum distance =  2.25886843028267 Angstroms
sigma value = 15


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

Energy: 1.0510576405103247
Energy: 0.8257579122487018
Energy: 1.1455457595143717
Energy: 0.8257579122550991
Energy: 0.9221264465083102
Energy: 0.9672757397834221
Energy: 0.9059809797071274
Energy: 0.9672757397866206
Energy: 0.890526057535411
Energy: 0.812570789239477
Energy: 0.9962626308554887
Energy: 0.8125707892405432
Energy: 0.9165514863135228
Energy: 0.8540310288853542
Energy: 0.906568979534558
Energy: 0.8540310288768241
Energy: 0.9748990000944078
Energy: 0.794738490891779
Energy: 0.8720656300758985
Energy: 0.7947384908928451
Energy: 0.9168876210286293
Energy: 0.8501591342862836
Energy: 0.9084324663500677
Energy: 0.8501591342841512
Energy: 0.8662886331878484
Energy: 0.7870967278685425
Energy: 0.9424586893926216
Energy: 0.7870967278632113
Energy: 0.9092491798476218
Energy: 0.8460255581378886
Energy: 0.9085551874728265
Energy: 0.846025558133672
Energy: 0.9187594665006761
Energy: 0.7787802145540701
Energy: 0.857411138995517
Energy: 0.7787802145572689
Energy: 0.9094849739054397
Energy: 0.8527035117487073
Energy: 0.9108429311215002
Energy: 0.8527035117465747
Energy: 0.8650546352698268
Energy: 0.7784314847026712
Energy: 0.8950044730415578
Energy: 0.7784314847037376
Energy: 0.9096228536541968
Energy: 0.9024499808995258
Energy: 0.93815453240812
Energy: 0.9024499814857186
Energy: 0.8825666274936069
Energy: 0.7801108166056748
Energy: 0.8690033622606991
Energy: 0.7801108166131385
Energy: 0.9225873351153882
Energy: 0.7943115856498809
Energy: 0.897154915029606
Energy: 0.7943115856520133
Energy: 0.8820784470764219
Energy: 0.7789063210960097
Energy: 0.8682305582432159
Energy: 0.7789063211034732
Energy: 0.9115941327342842
Energy: 0.7978657239128484
Energy: 0.9436663855813633
Energy: 0.7978657239128484
Energy: 0.8663274193033721
Energy: 0.7790659991281568
Energy: 0.8936855292674257
Energy: 0.7790659991313557
Energy: 0.9510072812605007
Energy: 0.8824890082379618
Energy: 0.906402546331613
Energy: 0.882489008234763
Energy: 0.9182009372794107
Energy: 0.778904670283537
Energy: 0.8593770806150688
Energy: 0.7789046702803384
Energy: 0.9127093740338963
Energy: 0.7920930418609834
Energy: 0.9059725763744481
Energy: 0.7920930418599172
Energy: 0.8692829531040459
Energy: 0.7855789362018564
Energy: 0.922237063105035
Energy: 0.7855789362039888
Energy: 0.9069067060285559
Energy: 0.8453014812883445
Energy: 0.926721525460044
Energy: 0.8453014812894107
Energy: 0.9620914638719842
Energy: 0.7949934282343196
Energy: 0.8730176821125373
Energy: 0.794993428231121
Energy: 0.9110011263897313
Energy: 0.8521134037421084
Energy: 0.887688010518746
Energy: 0.8521134037442409
Energy: 0.8892882255330976
Energy: 0.8117111138157975
Energy: 0.9746910328818029
Energy: 0.8117111138168638
Energy: 0.8839051565330344
Energy: 0.8618145660392064
Energy: 0.9281151316989543
Energy: 0.8618145660392064
Energy: 1.0240027297045995
Energy: 0.8241354277315962
Energy: 0.8749603180032726
Energy: 0.8241354277294638
Energy: 0.9221181498577087
Energy: 0.8667695146637158
Energy: 0.8833071984803279
Energy: 0.8667695146583846
Energy: 0.8954658989089004
Energy: 0.8108262659242417
Energy: 0.9758177436174198
Energy: 0.810826265925308
Energy: 0.9055495942213367
Energy: 0.8523643703982544
Energy: 0.928178477508514
Energy: 0.852364370397188
Energy: 0.9619444060293233
Energy: 0.7947989685367886
Energy: 0.8745737201273989
Energy: 0.7947989685399874
Energy: 0.9110069791129562
Energy: 0.8479678309516103
Energy: 0.9060727946425955
Energy: 0.8479678309516103
Energy: 0.867770751336816
Energy: 0.7856334217909305
Energy: 0.9222442640391068
Energy: 0.7856334217909305
Energy: 0.9071784043936156
Energy: 0.7864146539600522
Energy: 0.9203098815079324
Energy: 0.7864146539611184
Energy: 0.9182080816135109
Energy: 0.7784717917637007
Energy: 0.8756439386852842
Energy: 0.7784717917626345
Energy: 0.9128509352930102
Energy: 0.7894942196932337
Energy: 0.9097567234467683
Energy: 0.7894942196889687
Energy: 0.8643964857810769
Energy: 0.7784950828275154
Energy: 0.8935620272935788
Energy: 0.7784950828285332

minimum gb energy = 0.7784314847026712 eV
minimum distance =  2.26183398014289 Angstroms
sigma value = 85


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

Energy: 1.0452166414613044
Energy: 0.7864339834187861
Energy: 1.0348796477833175
Energy: 0.7864339834187861
Energy: 0.8114638083358612
Energy: 0.9156233428648115
Energy: 0.8465075924167998
Energy: 0.9156233428657362
Energy: 0.7945229721717988
Energy: 0.7808935897792548
Energy: 1.004640400898436
Energy: 0.7808935897810833
Energy: 0.8336509035035301
Energy: 0.767331246329323
Energy: 0.8561846504464538
Energy: 0.767331246329323
Energy: 0.9584685651928196
Energy: 0.7439201063844183
Energy: 0.7862070459687003
Energy: 0.7439201063844183
Energy: 0.833403075156646
Energy: 0.7635564632215428
Energy: 0.8448335772744805
Energy: 0.7635564632233924
Energy: 0.7896119790204594
Energy: 0.7430591379804751
Energy: 0.9262694601476983
Energy: 0.7430591379795504
Energy: 0.8346609852706683
Energy: 0.812946460039788
Energy: 0.8450084128959138
Energy: 0.8129464600407126
Energy: 0.8917664619193759
Energy: 0.7208535054392362
Energy: 0.8049583655216519
Energy: 0.7208535054401609
Energy: 0.8346890514031567
Energy: 0.7779288718123851
Energy: 0.8487852965181669
Energy: 0.7779288718271811
Energy: 0.7796880457508595
Energy: 0.7205318162355093
Energy: 0.8663374136537632
Energy: 0.7205318162355093
Energy: 0.8495504348292933
Energy: 0.7930225545653387
Energy: 0.848960831646191
Energy: 0.7930225545625644
Energy: 0.836005504387841
Energy: 0.7198757138152583
Energy: 0.80306839001658
Energy: 0.7198757138161831
Energy: 0.8766520736244783
Energy: 0.7335722038168826
Energy: 0.8489412678250303
Energy: 0.7335722038178073
Energy: 0.794021653489666
Energy: 0.7207473548270847
Energy: 0.8249237884249258
Energy: 0.7207473548252351
Energy: 0.8394931387842326
Energy: 0.7318560291297799
Energy: 0.8576354986638282
Energy: 0.7318560291297799
Energy: 0.797955311675631
Energy: 0.7207514751911553
Energy: 0.8206205265228095
Energy: 0.7207514751911553
Energy: 0.8781282262499885
Energy: 0.9158075130509978
Energy: 0.8481321697731325
Energy: 0.9158075130519227
Energy: 0.8282636756770654
Energy: 0.7204588059474932
Energy: 0.804018300845059
Energy: 0.7204588059474932
Energy: 0.8519194225225143
Energy: 0.8282717679840348
Energy: 0.8783900551478186
Energy: 0.8282717679544426
Energy: 0.776973089807176
Energy: 0.7205358731126764
Energy: 0.8579293836789084
Energy: 0.7205358731117516
Energy: 0.834732247662961
Energy: 0.7145192046049051
Energy: 0.8472685416688672
Energy: 0.7145192046058298
Energy: 0.8696583622049483
Energy: 0.7192878630411139
Energy: 0.8089393520383275
Energy: 0.7192878630438883
Energy: 0.8577620101373936
Energy: 0.7764142204257046
Energy: 0.8235592181524318
Energy: 0.7764142204266294
Energy: 0.7910934944296566
Energy: 0.7424840610700479
Energy: 0.906148135895242
Energy: 0.7424840610681983
Energy: 0.8335730212292869
Energy: 0.8209056381707734
Energy: 0.8448483105493532
Energy: 0.8209056381716984
Energy: 0.9232001948303187
Energy: 0.7434614640756405
Energy: 0.7870703882358188
Energy: 0.74346146407749
Energy: 0.8672920816964316
Energy: 0.7776616453539504
Energy: 0.7922823071459727
Energy: 0.7776616453530256
Energy: 0.7937670291628793
Energy: 0.7813000158732604
Energy: 0.9629976771161778
Energy: 0.7813000158723356
Energy: 0.8115232952418051
Energy: 0.7697319888856443
Energy: 0.8467993452883203
Energy: 0.7697319888847196
Energy: 0.9619186421840498
Energy: 0.7865897149431479
Energy: 0.788478254851713
Energy: 0.7865897149422231
Energy: 0.8800225288592863
Energy: 0.7899968999058946
Energy: 0.7921818121135146
Energy: 0.7899968999068193
Energy: 0.7936859808854951
Energy: 0.7811829581003091
Energy: 0.9629898537600812
Energy: 0.7811829580994053
Energy: 0.8334329024224396
Energy: 0.7673793327341357
Energy: 0.8476988221603771
Energy: 0.7673793327341357
Energy: 0.9230342052767011
Energy: 0.7440884483378735
Energy: 0.7883049551142075
Energy: 0.7440884483387982
Energy: 0.867218295931647
Energy: 0.7764700262657594
Energy: 0.8233454890679502
Energy: 0.7764700262666843
Energy: 0.7907454944495579
Energy: 0.7424787384723087
Energy: 0.9061529552602715
Energy: 0.7424787384741582
Energy: 0.8345827757897887
Energy: 0.7108210283627892
Energy: 0.8449045262402989
Energy: 0.7108210283572406
Energy: 0.8696830289932104
Energy: 0.7194538256962396
Energy: 0.8040158756340975
Energy: 0.7194538256980889
Energy: 0.8580843764480149
Energy: 0.7096788206336561
Energy: 0.8371430785652263
Energy: 0.7096788206336561
Energy: 0.7795094669939286
Energy: 0.719585329255658
Energy: 0.8580679040827454
Energy: 0.719585329255658
Energy: 0.8493552836234755
Energy: 0.714484982617933
Energy: 0.8476170292075271
Energy: 0.714484982617933
Energy: 0.8283048402852702
Energy: 0.7097794531035054
Energy: 0.8038459852768074
Energy: 0.7097794531062797

minimum gb energy = 0.7096788206336561 eV
minimum distance =  2.26534772366363 Angstroms
sigma value = 113


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

Energy: 0.014073969515695582
Energy: 0.014175792443618898
Energy: 1.3783932157950427
Energy: 0.014175792443618898
Energy: 0.015234147637255075
Energy: 0.6657137101645122
Energy: 0.015234147636583664
Energy: 0.665713710163821
Energy: 1.3783932157950427
Energy: 0.014175792444329802
Energy: 0.014073969515695582
Energy: 0.014175792443618898
Energy: 0.01523414763796598
Energy: 0.6657137101645122
Energy: 0.01523414763796598
Energy: 0.6657137101645122
Energy: 0.014073969515695582
Energy: 0.014175792444329802
Energy: 1.3783932157950427
Energy: 0.014175792444329802
Energy: 0.015234147637255075
Energy: 0.665713710163821
Energy: 0.015234147637255075
Energy: 0.6657137101645122

minimum gb energy = 0.014073969515695582 eV
minimum distance =  2.41049176343447 Angstroms
sigma value = 1