Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002
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=2.8664998710155487
cohesive_energy=4.316339468704817
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: 0.013268114290608275
Energy: 0.013613077719556164
Energy: 2.7481848399935966
Energy: 0.013613077719556164
Energy: 0.013613077719556164
Energy: 0.01373373902182925
Energy: 0.48578027229645687
Energy: 0.01373373902182925
Energy: 2.7481848399896895
Energy: 0.48578027229645687
Energy: 0.013367281332398569
Energy: 0.48578027229645687
Energy: 0.013613077719556164
Energy: 0.01373373902182925
Energy: 0.48578027229645687
Energy: 0.01373373902182925

minimum gb energy = 0.013268114290608275 eV
minimum distance =  2.47889963224489 Angstroms
sigma value = 1


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

Energy: 1.7096154478205359
Energy: 1.3738167224646505
Energy: 1.9824205827110932
Energy: 1.3728961963559903
Energy: 1.767802007555663
Energy: 1.267729180225474
Energy: 1.1888580565633624
Energy: 1.2677291883154627
Energy: 1.8734033670305383
Energy: 1.2184006599416017
Energy: 1.1127377482650733
Energy: 1.2184006600057211
Energy: 1.589603010001092
Energy: 1.2863300355675127
Energy: 1.2023440534647107
Energy: 1.2863300354998188
Energy: 1.6094167696741721
Energy: 1.2889888499887905
Energy: 1.5783471406645098
Energy: 1.2889888508401048
Energy: 1.764042294678483
Energy: 1.2620577479696433
Energy: 1.128158924901075
Energy: 1.2620577564695343
Energy: 1.408709248442959
Energy: 1.2731648148324066
Energy: 1.1248217305638906
Energy: 1.2731648150694173
Energy: 1.1211528177863457
Energy: 1.2553681572275774
Energy: 1.5661644456083086
Energy: 1.2553681700626773
Energy: 1.367820257829622
Energy: 1.2621437349410418
Energy: 1.5447170228238314
Energy: 1.2621437348697184
Energy: 1.7799471994710288
Energy: 1.290169967059563
Energy: 1.3908879541437746
Energy: 1.2901699513996348
Energy: 1.1370335417053419
Energy: 1.2926883956870934
Energy: 1.4517753496508778
Energy: 1.2926883956677915
Energy: 1.1171822402797742
Energy: 1.1836774376851085
Energy: 2.209642634883675
Energy: 1.1836704648894296
Energy: 1.4022459884973566
Energy: 1.299330036411919
Energy: 1.631186598626976
Energy: 1.2993300364082894
Energy: 1.2707987344482201
Energy: 1.305206265581557
Energy: 1.710227895833847
Energy: 1.3052062733208685
Energy: 1.1452759106369281
Energy: 1.2633473872005851
Energy: 1.7698438228174531
Energy: 1.2633473886468463
Energy: 1.154526591002928
Energy: 1.2579488803149665
Energy: 1.756186747438626
Energy: 1.2579488809655641
Energy: 1.2028068989896972
Energy: 1.3144556651608328
Energy: 1.695322865310757
Energy: 1.3144551626636825
Energy: 1.4028672731193035
Energy: 1.2960476624981967
Energy: 1.569611248681847
Energy: 1.2960476546669955
Energy: 1.1162504558421482
Energy: 1.2208024128683443
Energy: 2.235973849208984
Energy: 1.2208024130739006
Energy: 1.1620693743596295
Energy: 1.2842776516211936
Energy: 1.3658294573074787
Energy: 1.284277667650001
Energy: 1.8571672628451783
Energy: 1.2824144098116752
Energy: 1.4072039295427397
Energy: 1.2824144170829592
Energy: 1.3614945452750962
Energy: 1.2783805157410704
Energy: 1.5585005065384725
Energy: 1.2783805152247605
Energy: 1.326512309807911
Energy: 1.2613374640831845
Energy: 1.3883940632904648
Energy: 1.2613374514850952
Energy: 1.562529500225379
Energy: 1.2845586964018014
Energy: 1.123214072660142
Energy: 1.2845586964199487
Energy: 1.7609150768879025
Energy: 1.261859132410588
Energy: 1.150489799000006
Energy: 1.261859132410588
Energy: 1.6334156254516021
Energy: 1.2834612840264683
Energy: 1.649035029675076
Energy: 1.2834612841969404
Energy: 1.5435892158553475
Energy: 1.2824010703029225
Energy: 1.1548771984155772
Energy: 1.282401070082849
Energy: 1.9899437192649174
Energy: 1.2493884493940635
Energy: 1.1176652120037087
Energy: 1.2493884493710772
Energy: 1.7603717779876993
Energy: 1.275266501067692
Energy: 1.1999087537371427
Energy: 1.2752664983468516
Energy: 1.7009138114940472
Energy: 1.3299087545556683
Energy: 1.212652150900635
Energy: 1.3203950131197288
Energy: 1.7629799055730708
Energy: 1.2810168379847227
Energy: 1.2144802693332832
Energy: 1.2810168378105664
Energy: 1.7747428703559582
Energy: 1.2639662403355958
Energy: 1.114005212573359
Energy: 1.2639662413066253
Energy: 1.567438778163158
Energy: 1.2893020312031795
Energy: 1.1672378977463436
Energy: 1.2893019817007967

minimum gb energy = 1.1127377482650733 eV
minimum distance =  2.23808222279209 Angstroms
sigma value = 1


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

Energy: 1.8186520120769625
Energy: 1.371251364879406
Energy: 2.6596752995656914
Energy: 1.3714613685215764
Energy: 1.6449881910999247
Energy: 1.3124518282198074
Energy: 1.2786685493361354
Energy: 1.3124577509514057
Energy: 1.669587974792732
Energy: 1.2637963997858677
Energy: 1.2125109060758212
Energy: 1.2637810964521394
Energy: 1.180869808686861
Energy: 1.306366882435614
Energy: 1.2755121126725508
Energy: 1.306366882430128
Energy: 1.1815086818620897
Energy: 1.30430185672452
Energy: 1.7703407169704113
Energy: 1.3043018565604358
Energy: 1.685114940593988
Energy: 1.2957498612791698
Energy: 1.1807236581612548
Energy: 1.2957498612819283
Energy: 1.2799200865173308
Energy: 1.3152918174948114
Energy: 1.1801522935912565
Energy: 1.3152843314908709
Energy: 1.1630492561931338
Energy: 1.2442487334109196
Energy: 1.704528483095096
Energy: 1.2442492846149995
Energy: 1.2080458953192863
Energy: 1.3076381844237674
Energy: 1.6301088678249296
Energy: 1.3076381762311018
Energy: 1.2641537177666378
Energy: 1.25685652540813
Energy: 1.1594181377806825
Energy: 1.2568529513484445
Energy: 1.212449115109829
Energy: 1.33128402139572
Energy: 1.6288498088662426
Energy: 1.331284021415
Energy: 1.2186296897236684
Energy: 1.276471039075401
Energy: 2.111445660763562
Energy: 1.2764710387307117
Energy: 1.301818913511579
Energy: 1.3250478639699284
Energy: 1.6665929857757662
Energy: 1.3250474549530755
Energy: 1.2967336886874334
Energy: 1.3240153818278957
Energy: 1.805033698306801
Energy: 1.3240153818389309
Energy: 1.217158917932226
Energy: 1.273051684723879
Energy: 2.109012885037217
Energy: 1.2730516854615048
Energy: 1.213832933098126
Energy: 1.304303866051691
Energy: 1.6278307636887568
Energy: 1.304303868634118
Energy: 1.2686786151885743
Energy: 1.2733526085075304
Energy: 1.1626671570027556
Energy: 1.273352604240248
Energy: 1.2514174783966912
Energy: 1.3062004102944997
Energy: 1.6289180662149998
Energy: 1.3062004358486616
Energy: 1.159879548712576
Energy: 1.2587694454319396
Energy: 1.7045224205077747
Energy: 1.258769445433319
Energy: 1.2587303924485702
Energy: 1.3173738507776955
Energy: 1.1917305646653138
Energy: 1.3173741828990715
Energy: 1.6791004316111278
Energy: 1.2891697911128182
Energy: 1.1817991534328418
Energy: 1.2891697911141975
Energy: 1.1904225622237166
Energy: 1.308152738073518
Energy: 1.7703407169635146
Energy: 1.3081527380845532
Energy: 1.1866038899523554
Energy: 1.3072184702482996
Energy: 1.2755121293322544
Energy: 1.3072184706481331
Energy: 1.6783112715102868
Energy: 1.3275407431266055
Energy: 1.1761322098373936
Energy: 1.3275407394645593
Energy: 1.6521190784149113
Energy: 1.316672937140821
Energy: 1.2786685488508116
Energy: 1.3166729483350899
Energy: 1.8186520120769625
Energy: 1.3746848510538203
Energy: 2.659675299556036
Energy: 1.3833606616614218
Energy: 1.6449882211530116
Energy: 1.3124604016309145
Energy: 1.278668547323112
Energy: 1.3124620480694464
Energy: 1.6695883956022242
Energy: 1.2637933408823077
Energy: 1.2125108939522864
Energy: 1.2637803639919316
Energy: 1.1808698086813438
Energy: 1.3063668824287487
Energy: 1.2755121435749939
Energy: 1.3063668824259898

minimum gb energy = 1.1594181377806825 eV
minimum distance =  2.24636551518759 Angstroms
sigma value = 25


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

Energy: 1.6441998803916396
Energy: 1.849576167252745
Energy: 1.3261322672787221
Energy: 1.8495761673425046
Energy: 1.7689617673090516
Energy: 1.369467765485686
Energy: 1.360325184561853
Energy: 1.3694677654119616
Energy: 1.7907079549178297
Energy: 1.3239113483175362
Energy: 1.2513844274418646
Energy: 1.3239182534521161
Energy: 1.5887242496313265
Energy: 1.371909269360494
Energy: 1.3301168126052292
Energy: 1.3719092693941675
Energy: 1.5325173559034615
Energy: 1.3741998500719663
Energy: 1.6189962262500628
Energy: 1.3741998510384406
Energy: 1.782040703606223
Energy: 1.3506120221397555
Energy: 1.251575513958714
Energy: 1.3506120230934016
Energy: 1.2938437736522415
Energy: 1.3755615667995098
Energy: 1.2462450334732462
Energy: 1.375561566826733
Energy: 1.2429574771458394
Energy: 1.3394090872707614
Energy: 1.8033617999013323
Energy: 1.3394090840299386
Energy: 1.32133576852449
Energy: 1.3676346973459277
Energy: 1.5829211227130764
Energy: 1.3676346968201978
Energy: 1.3524305948960578
Energy: 1.4068191553821752
Energy: 1.645646799552977
Energy: 1.4068174449328827
Energy: 1.3252706203648823
Energy: 1.3870325169247462
Energy: 1.7636891317335148
Energy: 1.387032519537288
Energy: 1.3058827797118893
Energy: 1.3501451251899284
Energy: 1.766739259318573
Energy: 1.3501381441551938
Energy: 1.3563871898580264
Energy: 1.401606678135639
Energy: 1.647504419185082
Energy: 1.4016066781292251
Energy: 1.3610604259826966
Energy: 1.3803589174358342
Energy: 1.5787436690433787
Energy: 1.3803589175864903
Energy: 1.2525573744004257
Energy: 1.3377377839338378
Energy: 2.0731534526071713
Energy: 1.3377377842752014
Energy: 1.3111954630572134
Energy: 1.3756270297362523
Energy: 1.260298708274629
Energy: 1.3756270297330455
Energy: 2.085619442045893
Energy: 1.3363387955022188
Energy: 1.243554760072571
Energy: 1.3363387954909944
Energy: 1.5472905096679315
Energy: 1.3720940767187102
Energy: 1.5945640017107168
Energy: 1.372094076721917
Energy: 1.4456964383481368
Energy: 1.3753602926487936
Energy: 1.323481284207079
Energy: 1.3753602928571393
Energy: 1.6400422967261101
Energy: 1.3541152181591967
Energy: 1.272656550035088
Energy: 1.3541606024757484
Energy: 1.7836280046640562
Energy: 1.3513053245145474
Energy: 1.3111389493924133
Energy: 1.3513053070425367
Energy: 1.653733456891519
Energy: 1.4106428195503948
Energy: 1.339502821432098
Energy: 1.4106361121647963
Energy: 1.8178357368988232
Energy: 1.42219167355728
Energy: 1.3471546846846245
Energy: 1.422191673419452
Energy: 1.9639438321778653
Energy: 1.3309754490646148
Energy: 1.248128487039486
Energy: 1.3309754457035656
Energy: 1.530786983508086
Energy: 1.3683379351347946
Energy: 1.2963039866642763
Energy: 1.3683379351444158

minimum gb energy = 1.2429574771458394 eV
minimum distance =  2.24407320374698 Angstroms
sigma value = 9


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

Energy: 1.2914380184548924
Energy: 1.3852204428159298
Energy: 2.1007730793743886
Energy: 1.3852204429191808
Energy: 1.2970997420600163
Energy: 1.4025162466160386
Energy: 1.4054350486634977
Energy: 1.4025162472055044
Energy: 1.3647267111655497
Energy: 1.3893535372567878
Energy: 1.3675516125048819
Energy: 1.3896169856417484
Energy: 1.3240836113071643
Energy: 1.375899037671168
Energy: 1.3885633447918335
Energy: 1.3758990387503047
Energy: 1.3702889491939567
Energy: 1.3887437029204752
Energy: 1.4109271483598678
Energy: 1.3887437031319336
Energy: 1.9851411938603047
Energy: 1.3720109079444678
Energy: 1.3205797992922996
Energy: 1.3720109079217306
Energy: 1.3838457201592504
Energy: 1.3788591233929268
Energy: 1.3190373485624258
Energy: 1.378859381558805
Energy: 1.3520376610108487
Energy: 1.3967329028589643
Energy: 1.91117232012789
Energy: 1.396793718272118
Energy: 1.4426913292195491
Energy: 1.384643483094708
Energy: 1.327554317575344
Energy: 1.3846434838566357
Energy: 1.49294501063401
Energy: 1.3906681942349273
Energy: 1.3090504490559882
Energy: 1.3906680188000922
Energy: 1.3697775524584543
Energy: 1.3879097887969198
Energy: 1.8825262553964819
Energy: 1.3879097882671003
Energy: 1.3555342660179248
Energy: 1.4501585179731553
Energy: 1.3669930048993781
Energy: 1.4501585179683731
Energy: 1.4459953621230857
Energy: 1.3842461467733296
Energy: 1.292942653003209
Energy: 1.384246145283297
Energy: 1.4143230225460341
Energy: 1.3986018425814404
Energy: 1.4291605316156606
Energy: 1.3986018425879396
Energy: 1.2934073481774806
Energy: 1.3996950275784406
Energy: 1.4459116370064509
Energy: 1.3996950275857007
Energy: 1.3849216514365479
Energy: 1.448665490519658
Energy: 1.3549697985898934
Energy: 1.4486654905210057
Energy: 1.8892457648538594
Energy: 1.3897401324947556
Energy: 1.377741431774463
Energy: 1.3897401327593608
Energy: 1.3044500678036126
Energy: 1.3956836938295263
Energy: 1.492904930958359
Energy: 1.395683695424723
Energy: 1.291760649701383
Energy: 1.3870046233309814
Energy: 1.4426916767532973
Energy: 1.3870046233697821
Energy: 1.9214006656784233
Energy: 1.4013816213327694
Energy: 1.3558441207019316
Energy: 1.4013818399331837
Energy: 1.3304524944669835
Energy: 1.380192455338765
Energy: 1.369942068782535
Energy: 1.3801924908201817

minimum gb energy = 1.2914380184548924 eV
minimum distance =  2.23356198836777 Angstroms
sigma value = 25


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

Energy: 1.4209733776149964
Energy: 1.7699710078019015
Energy: 2.06954087995602
Energy: 1.7699710083131182
Energy: 1.8471891361106663
Energy: 1.5018593762280095
Energy: 1.4815939265761653
Energy: 1.5018594053118064
Energy: 1.511385985546774
Energy: 1.5128744123320474
Energy: 1.4030223205880783
Energy: 1.5128744246285382
Energy: 1.446974795655519
Energy: 1.4396978201410657
Energy: 1.4766905983071512
Energy: 1.4396978202075181
Energy: 1.5174927419950819
Energy: 1.4839671765267295
Energy: 1.8370812790318363
Energy: 1.4839671758949196
Energy: 1.8800666969134743
Energy: 1.4472897754299974
Energy: 1.39615931023992
Energy: 1.4472897696982767
Energy: 1.5126933274651904
Energy: 1.484429922265896
Energy: 1.4714174681625998
Energy: 1.484429922279606
Energy: 1.5264158529354548
Energy: 1.5576260582017722
Energy: 1.8202023011364352
Energy: 1.5576260582067454
Energy: 1.5428043521890547
Energy: 1.447682225749631
Energy: 1.417879401513188
Energy: 1.447665632732279
Energy: 1.540391857757457
Energy: 1.4505846574061763
Energy: 1.4741924262728625
Energy: 1.4506041961590914
Energy: 1.4202746390547407
Energy: 1.4443452938316559
Energy: 1.819891189288344
Energy: 1.444345293767596
Energy: 1.4468461965721586
Energy: 1.450378732960729
Energy: 1.4615774168505533
Energy: 1.4503803354314397
Energy: 1.7326985125790026
Energy: 1.5049342276205633
Energy: 1.451496480826944
Energy: 1.5049342271828687
Energy: 1.821110061149861
Energy: 1.4578553478768586
Energy: 1.564101565123536
Energy: 1.4578553112075243
Energy: 1.625759481210192
Energy: 1.5730573962950836
Energy: 1.5664893249936964
Energy: 1.5730573963740633
Energy: 1.8638369271246706
Energy: 1.4762195325083176
Energy: 1.4674592427286806
Energy: 1.4760964939458525
Energy: 1.486039463449652
Energy: 1.5220887442599982
Energy: 1.4364039918942322
Energy: 1.5220887481960486

minimum gb energy = 1.39615931023992 eV
minimum distance =  2.23665814777057 Angstroms
sigma value = 17


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

Energy: 1.8035130357072435
Energy: 1.6312013996965797
Energy: 2.063665320516401
Energy: 1.6312005805459138
Energy: 1.6879517358209541
Energy: 1.531614599910256
Energy: 1.5250250399816971
Energy: 1.5317311934606626
Energy: 1.537010424460265
Energy: 1.488548877326533
Energy: 1.461303154861135
Energy: 1.488548877326533
Energy: 1.4179785378192815
Energy: 1.4686092300766669
Energy: 1.4910522051251769
Energy: 1.4686092301141804
Energy: 1.4717748899531515
Energy: 1.5300393962156844
Energy: 1.7229066465186373
Energy: 1.5300393962505188
Energy: 1.9916958798346378
Energy: 1.6002438587807841
Energy: 1.4616659590120635
Energy: 1.600243859071394
Energy: 1.527514043718249
Energy: 1.4730270834071286
Energy: 1.7118679563806658
Energy: 1.473028464645894
Energy: 1.4694101603184142
Energy: 1.460676948597104
Energy: 1.7443760404718596
Energy: 1.4606769123106258
Energy: 1.496840144300275
Energy: 1.453758482269275
Energy: 1.4324101734873504
Energy: 1.453758482262576
Energy: 1.7646203440198447
Energy: 1.5167338241393404
Energy: 1.492206501015818
Energy: 1.51673382408712
Energy: 1.4404490147730433
Energy: 1.4654621392796565
Energy: 1.6991473256792824
Energy: 1.4654621394484073
Energy: 1.5018293278612238
Energy: 1.4892301597381312
Energy: 1.5148474756865427
Energy: 1.489230159814468
Energy: 1.7894652452047133
Energy: 1.5153472219625006
Energy: 1.4922599241952146
Energy: 1.5153472220040336
Energy: 1.4472132301372929
Energy: 1.4668375076793634
Energy: 1.5336427931868668
Energy: 1.466837507695441
Energy: 1.4958364600491827
Energy: 1.5190849434850215
Energy: 1.7536052786923964
Energy: 1.5190849435144966
Energy: 1.6982041719196301
Energy: 1.4585084990310675
Energy: 1.4343182537154868
Energy: 1.458508499045805
Energy: 1.4544170309643998
Energy: 1.5228743766536932
Energy: 1.5017475695631892
Energy: 1.5228743766443147
Energy: 1.4686307424204137
Energy: 1.5249781647970244
Energy: 1.703566000963436
Energy: 1.5249781654264454
Energy: 1.5517205420386408
Energy: 1.555497122595375
Energy: 1.5887091170829133
Energy: 1.5554971225511622
Energy: 1.8037483207806728
Energy: 1.5320807373846879
Energy: 1.7047338169865833
Energy: 1.5320807451251557
Energy: 1.4609102566179601
Energy: 1.4795599018029915
Energy: 1.728051401043667
Energy: 1.479559902076184
Energy: 1.4587589102094656
Energy: 1.5339218611152057
Energy: 1.4414198287812379
Energy: 1.5339218603532077
Energy: 1.720974409386096
Energy: 1.496562044865579
Energy: 1.4704717251498605
Energy: 1.4965620448120183
Energy: 1.715669033793638
Energy: 1.5481188691688745
Energy: 1.6234620151963324
Energy: 1.5481188853863828
Energy: 1.7634565888525318
Energy: 1.5718194878438707
Energy: 1.6286718447369333
Energy: 1.5718194876389762
Energy: 1.7237862122741041
Energy: 1.4992130018548409
Energy: 1.4723638118598037
Energy: 1.499213001884316
Energy: 1.4595014001814166
Energy: 1.464132429767487
Energy: 1.4636253468872902
Energy: 1.464132408392783
Energy: 1.4381454195834276
Energy: 1.4769351394110664
Energy: 1.7164752581260547
Energy: 1.4769351401770836
Energy: 1.61361834122882
Energy: 1.5173501500342512
Energy: 1.7081713744211955
Energy: 1.5173501596964463
Energy: 1.5881621444973217
Energy: 1.5482351098475555
Energy: 1.466377324061086
Energy: 1.5482351101006515

minimum gb energy = 1.4179785378192815 eV
minimum distance =  2.23853576093124 Angstroms
sigma value = 53


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

Energy: 1.341307839238473
Energy: 1.3472053246733757
Energy: 1.9819308773521216
Energy: 1.3472053246749178
Energy: 1.5010413608758548
Energy: 1.40761958930816
Energy: 1.4488554541855398
Energy: 1.4076195890362426
Energy: 1.8330267107021236
Energy: 1.449937591078954
Energy: 1.5022109627770621
Energy: 1.4499379478130219
Energy: 1.5041696500316413
Energy: 1.5313152089437576
Energy: 1.8341683311067158
Energy: 1.5313155126303273
Energy: 1.5178148688801356
Energy: 1.3969421713495023
Energy: 1.4434934080053248
Energy: 1.39694217135136
Energy: 1.9932858938049838
Energy: 1.3472053246730602
Energy: 1.3413078376809224
Energy: 1.3472053246696603
Energy: 1.448855561112657
Energy: 1.407619589150926
Energy: 1.5010413607852156
Energy: 1.407619588928008
Energy: 1.5022109627822846
Energy: 1.4499378577978654
Energy: 1.8330267106962699
Energy: 1.4499378905636633
Energy: 1.8341683310539654
Energy: 1.5313153654684741
Energy: 1.5041696500405792
Energy: 1.5313153891328466
Energy: 1.4458798638221777
Energy: 1.396942171350098
Energy: 1.5178148688819937
Energy: 1.3969421713488714
Energy: 1.3413078392387534
Energy: 1.347205324673691
Energy: 1.99367722880261
Energy: 1.3472053246746023
Energy: 1.5010413607845847
Energy: 1.4076195893180092
Energy: 1.4488555380476043
Energy: 1.4076195890735355
Energy: 1.8330267106990392
Energy: 1.4499381602823616
Energy: 1.5022109627813736
Energy: 1.4499379434733446

minimum gb energy = 1.3413078376809224 eV
minimum distance =  2.23578429961506 Angstroms
sigma value = 9


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

Energy: 1.6423771389758415
Energy: 1.7150602167476852
Energy: 2.0578912841380768
Energy: 1.715060214918552
Energy: 1.835399894169214
Energy: 1.6122351648591402
Energy: 1.6122281878542433
Energy: 1.6122351648420163
Energy: 1.558956895879219
Energy: 1.5415752537072989
Energy: 1.4974176980420362
Energy: 1.541575253468811
Energy: 1.5228152503131793
Energy: 1.5387608559616919
Energy: 1.6045995559347719
Energy: 1.5387608558430188
Energy: 1.6033935095891176
Energy: 1.5352711524391285
Energy: 1.8186455932699204
Energy: 1.5352715846105773
Energy: 1.7819843467214838
Energy: 1.509487014820085
Energy: 1.624909971390938
Energy: 1.5094870141399588
Energy: 1.5962190758519215
Energy: 1.6335698128687193
Energy: 1.8332728068738162
Energy: 1.6335698128538787
Energy: 1.5024077157046665
Energy: 1.5034248336026863
Energy: 1.5492800545240204
Energy: 1.5034250812831966
Energy: 1.5864821892536647
Energy: 1.5310007799613266
Energy: 1.5190193551650846
Energy: 1.531000779968176
Energy: 1.614647448195213
Energy: 1.5470954630540565
Energy: 1.575626584576171
Energy: 1.547095463143048
Energy: 1.517204557351773
Energy: 1.502548930366036
Energy: 1.7772198088493443
Energy: 1.5025489302781856
Energy: 1.8417454742173391
Energy: 1.6019325001811446
Energy: 1.5790263148675043
Energy: 1.601932500185711
Energy: 1.5991691813424989
Energy: 1.5062191283825013
Energy: 1.5193414594968206
Energy: 1.50621913048437
Energy: 1.5517725503563582
Energy: 1.541557073656077
Energy: 1.662057653244539
Energy: 1.5415570753083165
Energy: 1.5776785945415306
Energy: 1.504464311258947
Energy: 1.551956347136418
Energy: 1.504464311220133
Energy: 1.779496449683889
Energy: 1.5074364467905024
Energy: 1.5118666015600495
Energy: 1.5074364466672632
Energy: 1.6094761103351714
Energy: 1.5425612422140418
Energy: 1.8728505272988174
Energy: 1.5425613667138227
Energy: 1.5249104691626578
Energy: 1.5114811557594179
Energy: 1.5955671547999408
Energy: 1.5114811567521833
Energy: 1.8364363706176992
Energy: 1.5895792986536195
Energy: 1.5774152039268745
Energy: 1.5895792985863177
Energy: 1.547940031515276
Energy: 1.5293034091859923
Energy: 1.5433754595367706
Energy: 1.5293034096743838
Energy: 1.504991545166081
Energy: 1.51671464947905
Energy: 1.7800731405341452
Energy: 1.516714649465351
Energy: 1.762469816635435
Energy: 1.6164235050351488
Energy: 1.6055137956825114
Energy: 1.6164235040161787
Energy: 1.6616997662811424
Energy: 1.5315245171480927
Energy: 1.5977121900190787
Energy: 1.5315247732645652
Energy: 1.5424849526041209
Energy: 1.5575049455233279
Energy: 1.8580938485385239
Energy: 1.5575049307395208
Energy: 1.544778434598236
Energy: 1.5178997211594751
Energy: 1.5094177027979965
Energy: 1.5179002027271191
Energy: 1.7263500578180007
Energy: 1.5520704251713462
Energy: 1.5056831465876899
Energy: 1.5520704251370987
Energy: 1.815356744284376
Energy: 1.5803794385590417
Energy: 1.7728112854022273
Energy: 1.5803795030939733
Energy: 1.61232089619028
Energy: 1.6517589256994218
Energy: 1.796767367840166
Energy: 1.651758925131171
Energy: 1.9230069181811587
Energy: 1.5572410781803692
Energy: 1.524695018467588
Energy: 1.557241078208909
Energy: 1.5320530724517503
Energy: 1.5930430708576435
Energy: 1.5108269223012447
Energy: 1.5930430708382883
Energy: 1.520497409915729
Energy: 1.5611768239863375
Energy: 1.86687595519642
Energy: 1.5611768241620898
Energy: 1.6619009855277536
Energy: 1.5501444454543163
Energy: 1.5995454579861568
Energy: 1.5501444660645218
Energy: 1.7817162717002455
Energy: 1.5450904988013232
Energy: 1.6032406312914202
Energy: 1.5451158419720274
Energy: 1.4960176613331038
Energy: 1.5406420056317436
Energy: 1.8170101784357846
Energy: 1.5406420079721
Energy: 1.5130370308590606
Energy: 1.5394343487740259
Energy: 1.5296678211027286
Energy: 1.5394343484624764

minimum gb energy = 1.4960176613331038 eV
minimum distance =  2.22994729962568 Angstroms
sigma value = 73


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

Energy: 1.6996513766391521
Energy: 1.5416256201507554
Energy: 2.0366649701084896
Energy: 1.5416256201342897
Energy: 1.6830870817178865
Energy: 1.6238262386259033
Energy: 1.604149987453451
Energy: 1.623826246792511
Energy: 1.540699243574853
Energy: 1.5381790235726998
Energy: 1.5669468692125683
Energy: 1.5381790273836107
Energy: 1.5237976449738462
Energy: 1.5173404372662787
Energy: 1.5706809574600027
Energy: 1.517340240001503
Energy: 1.6265455110712401
Energy: 1.5719439784368918
Energy: 1.6665866894812316
Energy: 1.5719438949088167
Energy: 1.8586440727885392
Energy: 1.5146297437325849
Energy: 1.5301291276614752
Energy: 1.5146297437376686
Energy: 1.570802799319132
Energy: 1.6216695233729228
Energy: 1.6696621377740337
Energy: 1.621669525307718
Energy: 1.517500584310543
Energy: 1.5191481342357704
Energy: 1.589088492642606
Energy: 1.5191481349345928
Energy: 1.678878452211097
Energy: 1.5385519318451881
Energy: 1.5894913410041704
Energy: 1.538551931090794
Energy: 1.5634441621720958
Energy: 1.5354906268180342
Energy: 1.6162355799711399
Energy: 1.5354906268388633
Energy: 1.5202379662946133
Energy: 1.5185014087442756
Energy: 1.8192305059724918
Energy: 1.518501408973292
Energy: 1.7372012538701243
Energy: 1.5444699999183704
Energy: 1.6507819044665755
Energy: 1.5444699214301192
Energy: 1.6402938483090796
Energy: 1.5171285635888558
Energy: 1.5374017183828963
Energy: 1.5171285728925807
Energy: 1.5337018807790408
Energy: 1.595535211541991
Energy: 2.0256410329065466
Energy: 1.5955351064838972
Energy: 1.5197052767894206
Energy: 1.518824923276874
Energy: 1.5249555311506917
Energy: 1.5188249227284862
Energy: 1.6114511460924408
Energy: 1.5824791087066954
Energy: 1.5359709334289922
Energy: 1.5824791087065102
Energy: 1.644200742935227
Energy: 1.5585914041358624
Energy: 1.7950853165659628
Energy: 1.5585890318021358
Energy: 1.642883422505854
Energy: 1.547493144421889
Energy: 1.8191027546250405
Energy: 1.547492535157415
Energy: 1.803071036972554
Energy: 1.5859901418451594
Energy: 1.543518385622755
Energy: 1.5859901417778148
Energy: 1.5290639966276305
Energy: 1.5268621611361584
Energy: 1.5282341196782077
Energy: 1.5268566442474083
Energy: 1.535145521459264
Energy: 1.5897044499362565
Energy: 1.955860433850978
Energy: 1.5897041374870184
Energy: 1.6110664108356971
Energy: 1.537123381128712
Energy: 1.5464933763843662
Energy: 1.5371233722426583

minimum gb energy = 1.5146297437325849 eV
minimum distance =  2.22164747165335 Angstroms
sigma value = 7


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

Energy: 1.772074850360753
Energy: 1.528809807489025
Energy: 2.2056427857744243
Energy: 1.528809807958848
Energy: 1.704696540113725
Energy: 1.6583562857706333
Energy: 1.5659802196724355
Energy: 1.6583562791688387
Energy: 1.59347533120862
Energy: 1.542432425022318
Energy: 1.5559064026351461
Energy: 1.5424324250338153
Energy: 1.547258768457731
Energy: 1.5393427326194322
Energy: 1.5554509124109872
Energy: 1.5393369310818754
Energy: 1.644037663816491
Energy: 1.5534730355744784
Energy: 1.6612174039347347
Energy: 1.5534730355476123
Energy: 1.9386231768589415
Energy: 1.5448246926122895
Energy: 1.520166132491065
Energy: 1.544824743036404
Energy: 1.5778457978013003
Energy: 1.7091547343897264
Energy: 1.7913106817826339
Energy: 1.7091547343897264
Energy: 1.521889294077199
Energy: 1.5471159686562368
Energy: 1.6501736736355668
Energy: 1.547115963466472
Energy: 1.7518741270736753
Energy: 1.5582181607382752
Energy: 1.59251075049235
Energy: 1.5582179211670153
Energy: 1.5505199461395112
Energy: 1.5428203891393237
Energy: 1.5543500733758853
Energy: 1.5428203961290041
Energy: 1.5504655267229925
Energy: 1.5487115967611977
Energy: 1.6730146190927286
Energy: 1.5487116021839384
Energy: 1.8773587089392618
Energy: 1.5489261983224383
Energy: 1.6734546935278936
Energy: 1.548926096514072
Energy: 1.891633353222189
Energy: 1.5439035144088116
Energy: 1.675904663101781
Energy: 1.5439037299553635
Energy: 1.554124224337955
Energy: 1.617780006201736
Energy: 1.9659758110896766
Energy: 1.6177804998651009
Energy: 1.5486407031966747
Energy: 1.5429529975929572
Energy: 1.5769553751436616
Energy: 1.5429529973369285
Energy: 1.77512042215918
Energy: 1.693919582204285
Energy: 1.545482181631918
Energy: 1.6939195855647071
Energy: 1.5338613143995201
Energy: 1.544478338329113
Energy: 1.6305932953799138
Energy: 1.5444783367583603
Energy: 1.5762817161235736
Energy: 1.5500099121315218
Energy: 1.867561043620362
Energy: 1.5500098702550038
Energy: 1.9439439546095851
Energy: 1.5805966866917138
Energy: 1.5249096506972757
Energy: 1.580596687061669
Energy: 1.6534088960426478
Energy: 1.5471528973885844
Energy: 1.5679813176050728
Energy: 1.5471528972157738
Energy: 1.5692128207006508
Energy: 1.641721809841294
Energy: 1.5599646162793674
Energy: 1.641721809845136
Energy: 1.583911193820174
Energy: 1.5466707925419472
Energy: 1.5481599915097577
Energy: 1.5466707925060867
Energy: 1.9044240444661154
Energy: 1.5923364863574185
Energy: 1.591904452791101
Energy: 1.592336486336927
Energy: 1.6908089171909892
Energy: 1.5306454021876617
Energy: 1.8648061832224845
Energy: 1.53064540240914
Energy: 1.684384114446143
Energy: 1.5652420646091985
Energy: 1.6253735693747264
Energy: 1.5651166204094253
Energy: 1.6091014722211996
Energy: 1.5498077305767917
Energy: 1.5651331757282896
Energy: 1.5498077306024063
Energy: 1.5561597163151257
Energy: 1.5490339262500412
Energy: 1.5621621955932485
Energy: 1.5490339258813375
Energy: 1.6015333035665145
Energy: 1.5511390879519165
Energy: 1.7302399707333942
Energy: 1.5511390879506357
Energy: 1.662010355664086
Energy: 1.539472991680351
Energy: 1.530721363416326
Energy: 1.539472988767979
Energy: 1.7765218901492912
Energy: 1.671756924771543
Energy: 1.7758384312623103
Energy: 1.6713731139597274
Energy: 1.5180136320590256
Energy: 1.5392217384282023
Energy: 1.6620103556628052
Energy: 1.539221738781537

minimum gb energy = 1.5180136320590256 eV
minimum distance =  2.23682900438812 Angstroms
sigma value = 29


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

Energy: 1.4613197759000276
Energy: 1.46008310292947
Energy: 1.8984574768484879
Energy: 1.4600829209405815
Energy: 1.878497533334849
Energy: 1.5615319110905193
Energy: 1.4794619184863276
Energy: 1.5615319110975083
Energy: 1.8894974279307775
Energy: 1.465824865554974
Energy: 1.47499911053211
Energy: 1.4658248655558663
Energy: 1.7932491667830013
Energy: 1.481642427510914
Energy: 1.5417590847917775
Energy: 1.4816423993204955
Energy: 1.8161474068873986
Energy: 1.486505161449638
Energy: 1.4820182160028363
Energy: 1.4865051614910525
Energy: 1.5937268896124657
Energy: 1.4765451789190516
Energy: 1.458562333250284
Energy: 1.4765455778484167
Energy: 1.5731510808826203
Energy: 1.4700001663288806
Energy: 1.7199579802054217
Energy: 1.4700044456962644
Energy: 1.457740406877218
Energy: 1.4609034063759092
Energy: 1.9702359697614042
Energy: 1.460903281816422
Energy: 1.8807883999988886
Energy: 1.6099582890252004
Energy: 1.510434238961394
Energy: 1.6099582890256465

minimum gb energy = 1.457740406877218 eV
minimum distance =  2.23961040273321 Angstroms
sigma value = 5


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

Energy: 1.7720683399049417
Energy: 1.5407542719701497
Energy: 2.0556638790299977
Energy: 1.540754323180001
Energy: 1.8839014570133137
Energy: 1.5911693255288566
Energy: 1.591085687591345
Energy: 1.5911721830645715
Energy: 1.5448700382392988
Energy: 1.4339138662158424
Energy: 1.6395016487626446
Energy: 1.4339138662146325
Energy: 1.5438270306177453
Energy: 1.525482122929011
Energy: 1.6518882967843649
Energy: 1.5254821243982581
Energy: 1.4732457144885536
Energy: 1.4075434717009603
Energy: 1.4921345636316108
Energy: 1.4075434717420936
Energy: 1.5869223535345518
Energy: 1.4267350881752867
Energy: 1.4817400439234534
Energy: 1.4267350883337155
Energy: 1.5731189901087819
Energy: 1.4429031258603078
Energy: 1.5855382606613277
Energy: 1.4429031258361118
Energy: 1.5730638970267183
Energy: 1.4722414881720975
Energy: 1.7130360870766208
Energy: 1.4722414879979964
Energy: 1.885847838713718
Energy: 1.4367830451915458
Energy: 1.584003069921617
Energy: 1.4367830456861344
Energy: 1.7590735558537731
Energy: 1.5085033800477003
Energy: 1.5954274184936168
Energy: 1.5085033800646377
Energy: 1.5049653662901288
Energy: 1.4253034983497026
Energy: 1.6062624160632526
Energy: 1.4253035160109706
Energy: 1.5066060274805433
Energy: 1.4212116545223672
Energy: 1.4856430832172465
Energy: 1.4212116552043645
Energy: 1.6841676423636776
Energy: 1.6000043655038587
Energy: 1.5298392864231563
Energy: 1.6000043652753162
Energy: 1.5350601982373455
Energy: 1.4019271260032358
Energy: 1.4953127253172056
Energy: 1.4019271259875083
Energy: 1.5353220340342204
Energy: 1.6325516069622312
Energy: 1.6946078935849276
Energy: 1.6325515527304093
Energy: 1.846367653097021
Energy: 1.5187099685243695
Energy: 1.7069987691105508
Energy: 1.5187099702838591
Energy: 1.7601605850493394
Energy: 1.5200490560374071
Energy: 1.742198043454359
Energy: 1.5200490598562513
Energy: 1.5855561724699982
Energy: 1.454570139090529
Energy: 1.748348131862049
Energy: 1.4545701392005659
Energy: 1.58254707697554
Energy: 1.4431584767761088
Energy: 1.5438422787934565
Energy: 1.443158477016749
Energy: 1.509584090508832
Energy: 1.456017877733932
Energy: 1.4912406630862611
Energy: 1.4560178775755581
Energy: 1.4949368049521485
Energy: 1.4515532998105876
Energy: 1.564096508267171
Energy: 1.4515533003244776
Energy: 1.6092090057813977
Energy: 1.399670741665306
Energy: 1.5024463369805972
Energy: 1.3996707413532876
Energy: 1.5768635428976705
Energy: 1.452727585057975
Energy: 1.5080693329103179
Energy: 1.45272758508943
Energy: 1.7104799145226093
Energy: 1.459200768009348
Energy: 1.9114499007336665
Energy: 1.4592007634903594
Energy: 1.7210061295384562
Energy: 1.492638842277767
Energy: 1.9253546854726844
Energy: 1.4926388436974674
Energy: 1.7508494996528012
Energy: 1.4005475315063005
Energy: 1.497791139528719
Energy: 1.4005476983192653
Energy: 1.5657396823007232
Energy: 1.4076799448673625
Energy: 1.5058223137837374
Energy: 1.4076799449084407
Energy: 1.512248293482416
Energy: 1.528428053082421
Energy: 1.671204465950174
Energy: 1.5284280515865578
Energy: 1.5088395401111947
Energy: 1.4185505758624262
Energy: 1.4970219792049293
Energy: 1.4185505758515378
Energy: 1.7301182379174562
Energy: 1.522278060534786
Energy: 1.5427127259199633
Energy: 1.5222772390171282
Energy: 1.5905689108509078
Energy: 1.4523856460980638
Energy: 1.6043522661422922
Energy: 1.4523856450327248
Energy: 1.6108789091615168
Energy: 1.4630506318093222
Energy: 1.82548784388167
Energy: 1.4630506309592177
Energy: 1.9048768378781247
Energy: 1.440134102574598
Energy: 1.6587232729639658
Energy: 1.4401356801441083

minimum gb energy = 1.3996707413532876 eV
minimum distance =  2.22796163759943 Angstroms
sigma value = 1


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

Energy: 1.6469178474477444
Energy: 1.3683452090820007
Energy: 1.7768513245073583
Energy: 1.3683452090820007
Energy: 1.5313013200271528
Energy: 1.5870651526775328
Energy: 1.495094771504556
Energy: 1.587065149905331
Energy: 1.5795260576706187
Energy: 1.3317110397589225
Energy: 1.668676849331189
Energy: 1.3317110397622678
Energy: 1.501154401310617
Energy: 1.3399627715218128
Energy: 1.471904653958505
Energy: 1.3399627782014807
Energy: 1.4219767263189271
Energy: 1.3770044992861197
Energy: 1.42197968618704
Energy: 1.3770044994784096
Energy: 1.4736971299233856
Energy: 1.4771659344084715
Energy: 1.4748230501651824
Energy: 1.478115842958983
Energy: 1.486311564749806
Energy: 1.335637071782757
Energy: 1.5576469734820801
Energy: 1.3356370717442838
Energy: 1.4609046856653285
Energy: 1.3364125856479419
Energy: 1.6236854981920812
Energy: 1.3364125856362326
Energy: 1.9438295301033588
Energy: 1.377633250064523
Energy: 1.49512302034117
Energy: 1.3776239378636446
Energy: 1.9438295299996862
Energy: 1.454017911440615
Energy: 1.486272048886042
Energy: 1.454017911440615
Energy: 1.4603621177370558
Energy: 1.3334065361081293
Energy: 1.6236853921417145
Energy: 1.3334065358823841
Energy: 1.4692904388997667
Energy: 1.3353269787035265
Energy: 1.557646973470371
Energy: 1.335326978624945
Energy: 1.5064691158877084
Energy: 1.486569308902812
Energy: 1.4702476675355018
Energy: 1.4648786136136112
Energy: 1.4234517478241535
Energy: 1.461705676342336
Energy: 1.414508852174121
Energy: 1.461705676340663
Energy: 1.498756912527211
Energy: 1.3377962607017697
Energy: 1.4877209719758444
Energy: 1.3377962587973447
Energy: 1.5795260575234928
Energy: 1.3314938775797587
Energy: 1.68684132122509
Energy: 1.3314938775881222
Energy: 1.5363710391926109
Energy: 1.4720443819018436
Energy: 1.499347245229429
Energy: 1.4725165280988202
Energy: 1.6469178474477444
Energy: 1.3683452090836734
Energy: 1.776851307365974
Energy: 1.3683452090836734
Energy: 1.5313013214951803
Energy: 1.587065174722924
Energy: 1.4950947707989601
Energy: 1.587065089866937
Energy: 1.5795260468845032
Energy: 1.3317110397639405
Energy: 1.6686768491840633
Energy: 1.3317110397572494
Energy: 1.5011547125897597
Energy: 1.339962778793368
Energy: 1.4719046422394135
Energy: 1.33996278277607
Energy: 1.4219767263272907
Energy: 1.377004497624167
Energy: 1.4216784667195992
Energy: 1.3770044996171718
Energy: 1.4736962360987298
Energy: 1.4694993976525517
Energy: 1.4748230504711435
Energy: 1.5072015158326375
Energy: 1.4863115647414424
Energy: 1.3356370717994845
Energy: 1.557646973475389
Energy: 1.3356370717961392

minimum gb energy = 1.3314938775797587 eV
minimum distance =  2.23055559298763 Angstroms
sigma value = 17


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

Energy: 1.9189157085626791
Energy: 1.4581346943509859
Energy: 1.9898986885856684
Energy: 1.4581346764808618
Energy: 1.7870236516688491
Energy: 1.6177957030295562
Energy: 1.6381590166711888
Energy: 1.6177957241766958
Energy: 1.457922276607489
Energy: 1.3672654601491558
Energy: 1.6056417486606342
Energy: 1.3672654601553593
Energy: 1.506542281723394
Energy: 1.423313716242398
Energy: 1.6392901983564871
Energy: 1.4149485418060215
Energy: 1.5370818605677885
Energy: 1.35113408961215
Energy: 1.462208212192182
Energy: 1.3511340893765165
Energy: 1.5042611655345681
Energy: 1.411408780900389
Energy: 1.4687963003997673
Energy: 1.411408780901423
Energy: 1.4782038226555427
Energy: 1.349290761520638
Energy: 1.42944779202739
Energy: 1.3492907615154686
Energy: 1.4919978925831947
Energy: 1.3487993638958478
Energy: 1.5526208468868021
Energy: 1.3487993620057046
Energy: 1.7594939513796632
Energy: 1.3951052649539082
Energy: 1.631130634205788
Energy: 1.395105264457875
Energy: 1.7758332396976182
Energy: 1.3975287998680965
Energy: 1.6232878752003743
Energy: 1.3975288000293369
Energy: 1.5323787387290813
Energy: 1.3720945039481536
Energy: 1.7023099485922732
Energy: 1.3720945039615942
Energy: 1.534758340042365
Energy: 1.3732111775887992
Energy: 1.6102697757642872
Energy: 1.3732112063688842
Energy: 1.5181211292335068
Energy: 1.3592246908982115
Energy: 1.4734474006889706
Energy: 1.3592246909054486
Energy: 1.444501812985264
Energy: 1.3572346937717363
Energy: 1.472080672002932
Energy: 1.357234693815113
Energy: 1.469291908797082
Energy: 1.3602506313133098
Energy: 1.4866993801150294
Energy: 1.360250631409415
Energy: 1.463640400362613
Energy: 1.3447884056165607
Energy: 1.5188382037742545
Energy: 1.3447884057250723
Energy: 1.6278161256815487
Energy: 1.4193921742194777
Energy: 1.5337235416495723
Energy: 1.4193921754854317
Energy: 1.6709704607060343
Energy: 1.3835778261406042
Energy: 1.6719059148944362
Energy: 1.3835778261178588
Energy: 1.6344735286522776
Energy: 1.4414658945946586
Energy: 1.6622525427576782
Energy: 1.4414381985117808
Energy: 1.8008123221832504
Energy: 1.4090641652244158
Energy: 1.6949921794027172
Energy: 1.4090643170202526
Energy: 1.544205433859614
Energy: 1.642480263067509
Energy: 1.728758788398635
Energy: 1.6424802615959042
Energy: 1.533163903862866
Energy: 1.352030738658057
Energy: 1.4486267528826615
Energy: 1.3520307385970574
Energy: 1.610477181705466
Energy: 1.4075398795537957
Energy: 1.5129027057590643
Energy: 1.4075398701412871
Energy: 1.4614494398940545
Energy: 1.3439051850019565
Energy: 1.4544765344815747
Energy: 1.3439051850112615
Energy: 1.4718797881762384
Energy: 1.36578400034953
Energy: 1.5298252022019005
Energy: 1.3657840017725418
Energy: 1.4422112377524205
Energy: 1.3634525271176943
Energy: 1.4814574524050232
Energy: 1.3634525271342366
Energy: 1.6609215045610028
Energy: 1.3584177819566448
Energy: 1.5148959524329524
Energy: 1.358417864656094
Energy: 1.656084087587843
Energy: 1.4216880553903795
Energy: 1.8936449459480695
Energy: 1.4216880524058142
Energy: 1.6415541490064258
Energy: 1.424674171761031
Energy: 1.876233717203123
Energy: 1.4246741718426617
Energy: 1.5487342041628176
Energy: 1.3585125073969748
Energy: 1.4902433866510072
Energy: 1.3585125073866358
Energy: 1.459264789793335
Energy: 1.3548354581515658
Energy: 1.5153805228128696
Energy: 1.3548354717712172
Energy: 1.4478677346852744
Energy: 1.3552846305542736
Energy: 1.4869859785669692
Energy: 1.3552846305615107
Energy: 1.4637445575829842
Energy: 1.3486663983993754
Energy: 1.4393352623628757
Energy: 1.3486663983931721
Energy: 1.5144751939771333
Energy: 1.3565788864941268
Energy: 1.4852246196481043
Energy: 1.3565788863773438
Energy: 1.5121376821102568
Energy: 1.3525960496423366
Energy: 1.4989234585364186
Energy: 1.3525960496526757
Energy: 1.61684019480044
Energy: 1.4211272202305514
Energy: 1.6449033120795131
Energy: 1.4211272203917444
Energy: 1.8220055375016428
Energy: 1.3995717413960385
Energy: 1.6338496856529674
Energy: 1.3995717416864208
Energy: 1.6590476006348527
Energy: 1.473820859745713
Energy: 1.7041133613217672
Energy: 1.473820857871031

minimum gb energy = 1.3439051850019565 eV
minimum distance =  2.2345608870122 Angstroms
sigma value = 89


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

Energy: 1.7077080604878057
Energy: 1.3206508569438573
Energy: 1.6957920115118505
Energy: 1.3206508569335897
Energy: 1.6216769235448905
Energy: 1.408461069350061
Energy: 1.5273532130918002
Energy: 1.4084479500472211
Energy: 1.4639913479727062
Energy: 1.2950117702233512
Energy: 1.4699925532605602
Energy: 1.2950117702330963
Energy: 1.4385406233152862
Energy: 1.29008037678042
Energy: 1.5253680796131976
Energy: 1.2900803773366452
Energy: 1.5091050126970542
Energy: 1.2588273141262158
Energy: 1.3767515240484525
Energy: 1.2588273136192072
Energy: 1.4243542860780256
Energy: 1.353016021377227
Energy: 1.4735858678174305
Energy: 1.3530158468262772
Energy: 1.3984326033850203
Energy: 1.292051631641957
Energy: 1.3614319008868345
Energy: 1.2920527572861507
Energy: 1.3999696038782945
Energy: 1.298220008857359
Energy: 1.564298699705176
Energy: 1.2982200106033475
Energy: 1.4271920191621723
Energy: 1.2553219670623894
Energy: 1.4175147416659681
Energy: 1.255321966782248
Energy: 1.6347471557620912
Energy: 1.259279625806278
Energy: 1.4079556793599495
Energy: 1.25927962997151
Energy: 1.5281347277403012
Energy: 1.2904177923978914
Energy: 1.7741706750193917
Energy: 1.2904181211251822
Energy: 1.5153186986764866
Energy: 1.292935063995408
Energy: 1.7728274004881406
Energy: 1.2929348958856512
Energy: 1.5900164502110852
Energy: 1.253450450591721
Energy: 1.4146429982682411
Energy: 1.2534504703192355
Energy: 1.4316177266605292
Energy: 1.2603361730391287
Energy: 1.4065585357500714
Energy: 1.2603361724942777
Energy: 1.401473600839001
Energy: 1.2803131414385251
Energy: 1.5052498974372868
Energy: 1.2803131415107354

minimum gb energy = 1.253450450591721 eV
minimum distance =  2.23657875936167 Angstroms
sigma value = 13


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

Energy: 1.5754688633942118
Energy: 1.2853445011041045
Energy: 1.6157379383857908
Energy: 1.2853448235505556
Energy: 1.5441226918404505
Energy: 1.2852912826046612
Energy: 1.4091659249780266
Energy: 1.2852842920733623
Energy: 1.3639916251387583
Energy: 1.2066898167528206
Energy: 1.5455676518127288
Energy: 1.2066898122953589
Energy: 1.3947216434994616
Energy: 1.222745959147095
Energy: 1.5242733376150568
Energy: 1.2197272301494535
Energy: 1.39282935878231
Energy: 1.1853978650654078
Energy: 1.338685020425772
Energy: 1.1853978650676755
Energy: 1.412848583653625
Energy: 1.1942670677743232
Energy: 1.4328046670707928
Energy: 1.1942670874106462
Energy: 1.3422768361421207
Energy: 1.2039843706806403
Energy: 1.4241722321088852
Energy: 1.2039843722208683
Energy: 1.3595130748711786
Energy: 1.2280202315084867
Energy: 1.4442319758013014
Energy: 1.2279461295665455
Energy: 1.330562188386102
Energy: 1.1907626972519805
Energy: 1.3888292636764177
Energy: 1.1907626972519805
Energy: 1.4798561484171096
Energy: 1.1954308696200746
Energy: 1.4092670032131778
Energy: 1.1954308699453855
Energy: 1.4294914304522164
Energy: 1.205629840754749
Energy: 1.3489873030308572
Energy: 1.2056298407989172
Energy: 1.3942609117939282
Energy: 1.2090138941908157
Energy: 1.5832098422158554
Energy: 1.2090139087690475
Energy: 1.3914728762917452
Energy: 1.2501948878052336
Energy: 1.5467667409214196
Energy: 1.2501949253823663
Energy: 1.4557921943223955
Energy: 1.2601283084269184
Energy: 1.530134203751726
Energy: 1.2601287280961115
Energy: 1.4277667291530665
Energy: 1.2040055514377677
Energy: 1.3883561550810033
Energy: 1.2040055514910069
Energy: 1.3941941275286054
Energy: 1.2104782164896932
Energy: 1.3662296208858213
Energy: 1.210478221775585
Energy: 1.4022017955175454
Energy: 1.1995113282825727
Energy: 1.38563956362867
Energy: 1.1995113283335956
Energy: 1.3459444795586337
Energy: 1.2016502067032475
Energy: 1.405776986972625
Energy: 1.2016502067304597
Energy: 1.348775751092246
Energy: 1.2115920968629592
Energy: 1.356201734867911
Energy: 1.2115920969218679
Energy: 1.3580489972645755
Energy: 1.2082666062975322
Energy: 1.3478898960268617
Energy: 1.2082666065876941
Energy: 1.4060612674618753
Energy: 1.201379987339439
Energy: 1.3394698334572144
Energy: 1.2013799873428406
Energy: 1.3896278200551047
Energy: 1.204149090836348
Energy: 1.4022017999794913
Energy: 1.2041490908329977
Energy: 1.3662296174914443
Energy: 1.2081055141910857
Energy: 1.3948443228591767
Energy: 1.2081055111220198
Energy: 1.3883560984308632
Energy: 1.2052886254621125
Energy: 1.427184535105023
Energy: 1.2052886241802985
Energy: 1.533146800503657
Energy: 1.2590537745985333
Energy: 1.4670567272092745
Energy: 1.2590536403505845
Energy: 1.4741869449435516
Energy: 1.2497514435732828
Energy: 1.391472837687811
Energy: 1.2497514180503868
Energy: 1.5801247880431613
Energy: 1.2146281657649696
Energy: 1.3956978687702988
Energy: 1.2146281646191657
Energy: 1.3489873031068247
Energy: 1.204485260924195
Energy: 1.4259439234171234
Energy: 1.2044852645441047
Energy: 1.4041127804621107
Energy: 1.1969821671051841
Energy: 1.4760657370361498
Energy: 1.1969821671108534
Energy: 1.3565452414209427
Energy: 1.193355376978713
Energy: 1.328910743202119
Energy: 1.1933553769889176
Energy: 1.385891320022704
Energy: 1.2590961887077756
Energy: 1.357569302082092
Energy: 1.259095915341902
Energy: 1.4223743099302038
Energy: 1.205936277750996
Energy: 1.3514664291170235
Energy: 1.2059362885234703
Energy: 1.3914537907629168
Energy: 1.1948741854490081
Energy: 1.4168063350263032
Energy: 1.1948741854444729
Energy: 1.3400576123720522
Energy: 1.1859136280489941
Energy: 1.3970075080626978
Energy: 1.1859136280104432
Energy: 1.4144188684271934
Energy: 1.24977143133999
Energy: 1.3928419656556357
Energy: 1.2497754303157014

minimum gb energy = 1.1853978650654078 eV
minimum distance =  2.23276585555679 Angstroms
sigma value = 37


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

Energy: 1.5839500135325237
Energy: 1.2289543219499697
Energy: 1.5019611600226994
Energy: 1.2289543219255856
Energy: 1.4682402254217137
Energy: 1.295206261208276
Energy: 1.3858348675627226
Energy: 1.307512561118443
Energy: 1.3058106377812015
Energy: 1.152696428199219
Energy: 1.5135019546870916
Energy: 1.1526964267313504
Energy: 1.3510935353090974
Energy: 1.1605369200906948
Energy: 1.4276491216478089
Energy: 1.160308883454373
Energy: 1.4686666264380024
Energy: 1.141018847141284
Energy: 1.3202122724211098
Energy: 1.1410188468836973
Energy: 1.4329675844436094
Energy: 1.1183519774816246
Energy: 1.3551481518066864
Energy: 1.1183249290681598
Energy: 1.28389341819934
Energy: 1.1457141200733454
Energy: 1.3354027946658424
Energy: 1.1457141200741434
Energy: 1.3358134091274998
Energy: 1.1581382394742605
Energy: 1.335181963817716
Energy: 1.1581391017197085
Energy: 1.3160152919524382
Energy: 1.1392923348836501
Energy: 1.3355572643583913
Energy: 1.1392923348932045
Energy: 1.44279234063836
Energy: 1.1187536574916597
Energy: 1.3249423864951282
Energy: 1.1187537542804904
Energy: 1.3454122431665132
Energy: 1.134251901160619
Energy: 1.2917124819081776
Energy: 1.134251899908219
Energy: 1.338039185223786
Energy: 1.12456378431163
Energy: 1.4203590024958628
Energy: 1.1245636951739282
Energy: 1.299379001715288
Energy: 1.1388257241562227
Energy: 1.3810671196761297
Energy: 1.1388257244703592
Energy: 1.453900777262232
Energy: 1.1387635736340846
Energy: 1.3774977813440004
Energy: 1.138757334570068
Energy: 1.5803653820852526
Energy: 1.215442589302047
Energy: 1.3317503171352496
Energy: 1.215442510218303
Energy: 1.4507025432320573
Energy: 1.204275165445542
Energy: 1.3856689369793533
Energy: 1.2039124198000017
Energy: 1.3124244467518342
Energy: 1.1371092434965102
Energy: 1.3894428055296522
Energy: 1.137109232157788
Energy: 1.422975247998754
Energy: 1.141361357714306
Energy: 1.378966203857997
Energy: 1.1413877022492742
Energy: 1.3390002857496859
Energy: 1.1380212788453017
Energy: 1.3324300148776687
Energy: 1.1380212765795565
Energy: 1.3385863932335191
Energy: 1.1230418938011029
Energy: 1.3328200149075455
Energy: 1.1230418929336203

minimum gb energy = 1.1183249290681598 eV
minimum distance =  2.23667304980564 Angstroms
sigma value = 25


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

Energy: 1.4246701952896046
Energy: 1.111230184390686
Energy: 1.351254959505635
Energy: 1.1112299776887422
Energy: 1.3527314228537899
Energy: 1.2527760367574263
Energy: 1.3195790306854285
Energy: 1.247236856604838
Energy: 1.1911539172504853
Energy: 1.0726151431176196
Energy: 1.372414737124906
Energy: 1.0726151431298057
Energy: 1.277849560936958
Energy: 1.0693018089220472
Energy: 1.350031732441599
Energy: 1.0692930617660938
Energy: 1.2986898616189626
Energy: 1.0266781469651851
Energy: 1.2008797174848151
Energy: 1.026678145559825
Energy: 1.3175523491137016
Energy: 1.0453508418197301
Energy: 1.2970148558222576
Energy: 1.045351409628856
Energy: 1.1818578300442868
Energy: 1.0273810412820732
Energy: 1.270224525187052
Energy: 1.0273810412820732
Energy: 1.2751634085200543
Energy: 1.0305625137559797
Energy: 1.3201294521752664
Energy: 1.0305624138735054
Energy: 1.2231789731257885
Energy: 1.0270396571491767
Energy: 1.2029519019447639
Energy: 1.0270396571978868
Energy: 1.267044508623631
Energy: 1.0461298466249598
Energy: 1.2558778735456047
Energy: 1.0461300804139573
Energy: 1.2345946360850115
Energy: 1.0251596161789376
Energy: 1.2165904913917365
Energy: 1.0251596161911238
Energy: 1.2630126315897654
Energy: 1.0250604373957464
Energy: 1.3146879884119436
Energy: 1.02506002145976
Energy: 1.2074553153107053
Energy: 1.0221507811336386
Energy: 1.2570419734718474
Energy: 1.0221507811168824
Energy: 1.301722294100726
Energy: 1.0242725892450624
Energy: 1.2515360185663318
Energy: 1.02427256396534
Energy: 1.2878016344673802
Energy: 1.0251185181969085
Energy: 1.2348300332811448
Energy: 1.0251185190708876
Energy: 1.2848756355855981
Energy: 1.039590371221653
Energy: 1.320937793113353
Energy: 1.0395860531538517
Energy: 1.1852682979836782
Energy: 1.0645260913757155
Energy: 1.3579049782438377
Energy: 1.0645260922649271
Energy: 1.2849038300073448
Energy: 1.120355004113658
Energy: 1.307680134391547
Energy: 1.1244537759542659
Energy: 1.3968102230738495
Energy: 1.1048733832939601
Energy: 1.2021981087798825
Energy: 1.104873738717283
Energy: 1.411869801480752
Energy: 1.1237374872742414
Energy: 1.3013770885733766
Energy: 1.123729980202099
Energy: 1.207866409529695
Energy: 1.0628239279118012
Energy: 1.3578605569657631
Energy: 1.0628239275813889
Energy: 1.29775000948593
Energy: 1.061881135681378
Energy: 1.3077648558386932
Energy: 1.061893077001733
Energy: 1.2877629645678301
Energy: 1.0237373570562571
Energy: 1.1969329992128697
Energy: 1.0237373577140352
Energy: 1.3295221684113616
Energy: 1.0203036444861833
Energy: 1.2952801337279574
Energy: 1.020304208496434
Energy: 1.2339230273275836
Energy: 1.0223684524170173
Energy: 1.255853524816109
Energy: 1.0223684524170173
Energy: 1.2368925450901078
Energy: 1.0331905356634417
Energy: 1.2570338036945812
Energy: 1.0331905356771165

minimum gb energy = 1.0203036444861833 eV
minimum distance =  2.2371437116651 Angstroms
sigma value = 41


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

Energy: 1.3814082365098488
Energy: 1.031368967991977
Energy: 1.280930245894529
Energy: 1.0313689692764045
Energy: 1.253111691247643
Energy: 1.0465721566780977
Energy: 1.2472856277590827
Energy: 1.0395142146003713
Energy: 1.1000051387719878
Energy: 0.9908869021790279
Energy: 1.3138686972469378
Energy: 0.9908869014937575
Energy: 1.2154800344785968
Energy: 1.0043752031592212
Energy: 1.23797518951304
Energy: 1.008893292580304
Energy: 1.2779380650545311
Energy: 0.9649899576537653
Energy: 1.115354614679439
Energy: 0.9649899663592874
Energy: 1.2248351529705133
Energy: 1.1295032739261208
Energy: 1.2084437729212318
Energy: 1.1293770586328629
Energy: 1.1405820193602803
Energy: 0.9386719385882025
Energy: 1.2247318834271117
Energy: 0.9386719385158268
Energy: 1.1991347700627846
Energy: 0.9772442787725222
Energy: 1.2158533118252997
Energy: 0.9772448092971713
Energy: 1.2056183089734935
Energy: 0.9353764128636952
Energy: 1.1376991410487294
Energy: 0.935376412842465
Energy: 1.2104851687819005
Energy: 0.9823175570900651
Energy: 1.1818401595923396
Energy: 0.9823172928263836
Energy: 1.1428944460921326
Energy: 0.9363126237724797
Energy: 1.2346414496246427
Energy: 0.9363126237874656
Energy: 1.165588818615407
Energy: 0.9484979105269317
Energy: 1.1994207418400313
Energy: 0.9484956875509988
Energy: 1.1548394248500555
Energy: 0.9373489182819897
Energy: 1.1397232616807895
Energy: 0.9373489162547883
Energy: 1.2149396624601125
Energy: 0.9383904222146933
Energy: 1.18286109418129
Energy: 0.9383904171741643
Energy: 1.19345499609171
Energy: 0.9346489184266757
Energy: 1.1261585119709239
Energy: 0.9346489184204315
Energy: 1.1737013990566134
Energy: 0.9484058994255172
Energy: 1.2270698183796753
Energy: 0.9484057670452148
Energy: 1.137136912140299
Energy: 0.9343193231037825
Energy: 1.2034701178693423
Energy: 0.9343193232298582
Energy: 1.206629656457047
Energy: 0.9620587453101934
Energy: 1.1967250665237852
Energy: 0.9620587444937954
Energy: 1.2533971079128743
Energy: 0.957927705666857
Energy: 1.1381311530890852
Energy: 0.9579277055370349
Energy: 1.2137620168434087
Energy: 1.1045604119224217
Energy: 1.1704460563829115
Energy: 1.1045590248545034
Energy: 1.1014746931102752
Energy: 0.9969603584458347
Energy: 1.2951721808579761
Energy: 0.9969603587092257
Energy: 1.1953597238843583
Energy: 1.027872491631423
Energy: 1.2884142325586443
Energy: 1.033278354253235
Energy: 1.3519132680506507
Energy: 1.0327120849764881
Energy: 1.1069683129497694
Energy: 1.0327120863408414
Energy: 1.312583794578677
Energy: 1.0388781048602813
Energy: 1.2108736072042203
Energy: 1.0391076881152055
Energy: 1.1114992410286235
Energy: 0.9818755530606216
Energy: 1.2841497825312191
Energy: 0.9818756279050642
Energy: 1.195375999842562
Energy: 0.9944895326113213
Energy: 1.2490798755185564
Energy: 0.9944262676793653
Energy: 1.2619971253981443
Energy: 0.965311923028144
Energy: 1.109727360717526
Energy: 0.9653119230730453
Energy: 1.2356922059311655
Energy: 0.9751566759053143
Energy: 1.187545558051776
Energy: 0.9751577705633427
Energy: 1.121468114697516
Energy: 0.937132298034897
Energy: 1.2021160150338206
Energy: 0.9371322980798551
Energy: 1.1916881748433308
Energy: 0.952698258128024
Energy: 1.2061823679387529
Energy: 0.9526982600865395
Energy: 1.188959585290723
Energy: 0.9350632633414921
Energy: 1.1421015943486732
Energy: 0.9350632633352479
Energy: 1.2004799633727048
Energy: 0.9395389277942876
Energy: 1.1540439342681725
Energy: 0.9395389260454631

minimum gb energy = 0.9343193231037825 eV
minimum distance =  2.23782376772991 Angstroms
sigma value = 15


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

Energy: 1.4050364960390764
Energy: 0.9535075862398292
Energy: 1.1818606621687255
Energy: 0.9535062313851205
Energy: 1.1755669565613263
Energy: 0.9844081792935888
Energy: 1.1523301999349465
Energy: 0.9796235071439142
Energy: 1.1085253326904523
Energy: 0.9267061765060309
Energy: 1.3312107827350572
Energy: 0.9267061760079819
Energy: 1.1385672513126037
Energy: 1.0798446796227033
Energy: 1.1504601893601014
Energy: 1.0817086576217634
Energy: 1.2232538769416075
Energy: 0.8982396766295163
Energy: 1.0351290890525418
Energy: 0.89823967325618
Energy: 1.1412079028085043
Energy: 0.9221347622169561
Energy: 1.1278660239113054
Energy: 0.9320666747505609
Energy: 1.0416296873246664
Energy: 0.884505278243403
Energy: 1.1739685349131408
Energy: 0.8845052782582142
Energy: 1.1189995139451026
Energy: 0.9175426916857228
Energy: 1.1252673575321577
Energy: 0.9193479687402144
Energy: 1.1619470598411776
Energy: 0.8725103133335924
Energy: 1.0665466260137988
Energy: 0.8725103126345829
Energy: 1.1246229511176091
Energy: 0.898667501531241
Energy: 1.1092159588746682
Energy: 0.8986682684168579
Energy: 1.0505807907569964
Energy: 0.8697121258566016
Energy: 1.111237249354413
Energy: 0.8697121258692969
Energy: 1.1105411765765012
Energy: 0.8950572284046062
Energy: 1.1391565422651806
Energy: 0.8950566860674766
Energy: 1.1022217126004443
Energy: 0.8671530957030553
Energy: 1.0737349250178987
Energy: 0.8671530956977657
Energy: 1.1231442146262507
Energy: 0.8879686665571822
Energy: 1.0989352912062988
Energy: 0.8879714288175349
Energy: 1.0890018366025498
Energy: 0.8681367696741434
Energy: 1.0648099640369308
Energy: 0.8681367662680589
Energy: 1.1078397788931038
Energy: 0.8834242574458017
Energy: 1.1419309948302823
Energy: 0.8827945915645545
Energy: 1.0649635337319587
Energy: 0.8692345861563479
Energy: 1.1078643293014894
Energy: 0.86923458577674
Energy: 1.1336010379816865
Energy: 0.8836911638144856
Energy: 1.1062973782245686
Energy: 0.8836907053960544
Energy: 1.1980264189180014
Energy: 0.8695779195459161
Energy: 1.166579495901577
Energy: 0.8695779200852249
Energy: 1.1252421769511631
Energy: 0.9048241053788798
Energy: 1.1124774466725593
Energy: 0.9048240046802503
Energy: 1.0692269334719324
Energy: 0.8844121632167822
Energy: 1.1654689469452622
Energy: 0.884412162133933
Energy: 1.1415331080610636
Energy: 1.0203382838624093
Energy: 1.1328245714508103
Energy: 1.020313792626939
Energy: 1.207777876502391
Energy: 0.8973555053327572
Energy: 1.0398960509382014
Energy: 0.8973534173902824
Energy: 1.1499826092296297
Energy: 1.091992213185279
Energy: 1.14079382185083
Energy: 1.0919509363703075
Energy: 1.0220523722867803
Energy: 0.928302642765604
Energy: 1.240491946218251
Energy: 0.9283026448583527
Energy: 1.155389798110841
Energy: 0.9621023006661829
Energy: 1.1792492109627997
Energy: 0.9620580095333467
Energy: 1.2938064014867592
Energy: 0.9597692286777614
Energy: 1.0387030739242227
Energy: 0.9597691379563673
Energy: 1.1995067941799396
Energy: 0.9748953675821072
Energy: 1.1370648206558014
Energy: 0.9745621529544742
Energy: 1.1326488571345854
Energy: 0.9305325047971926
Energy: 1.240806768322424
Energy: 0.9305324409979076
Energy: 1.1208862130533555
Energy: 0.9388539111158324
Energy: 1.1766239552508335
Energy: 0.9388525287510884
Energy: 1.2775535904444775
Energy: 0.8957076129068209
Energy: 1.0328800023004592
Energy: 0.8957076065926528
Energy: 1.145915504424597
Energy: 0.9175213532749573
Energy: 1.1159184665265796
Energy: 0.9175202678276326
Energy: 1.0415384324710404
Energy: 0.884410596535021
Energy: 1.164945412951256
Energy: 0.8844103680570099
Energy: 1.1131438716185968
Energy: 0.8969368057950399
Energy: 1.1547205671991885
Energy: 0.8969369296522548
Energy: 1.2019148148606325
Energy: 0.8676918159676572
Energy: 1.049719493106809
Energy: 0.867691815921156
Energy: 1.1410299105129886
Energy: 0.8938291122723537
Energy: 1.1148343324680385
Energy: 0.8938290959450286
Energy: 1.0652609891790528
Energy: 0.8655569658024745
Energy: 1.1080835677981875
Energy: 0.8655569658077643

minimum gb energy = 0.8655569658024745 eV
minimum distance =  2.2388810135119 Angstroms
sigma value = 85


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

Energy: 1.3713189968814188
Energy: 0.9280900847805137
Energy: 1.0091250292846072
Energy: 0.9281223988574392
Energy: 1.0985792293922836
Energy: 0.9282303579265099
Energy: 1.0957268446682602
Energy: 0.9255901119528391
Energy: 0.911997172025286
Energy: 0.9155858534931356
Energy: 1.3219366888022497
Energy: 0.9155860695652818
Energy: 1.0544425283338945
Energy: 0.8551160412930773
Energy: 1.0913012035961023
Energy: 0.852383597292429
Energy: 1.2071670058551043
Energy: 0.8613375057079337
Energy: 0.9252099995486311
Energy: 0.8613376759273985
Energy: 1.0639514118327005
Energy: 0.8284021586475561
Energy: 1.0613414623644801
Energy: 0.828251053396498
Energy: 0.9438563457149466
Energy: 0.8542613764141583
Energy: 1.1636260009005353
Energy: 0.8542613748586769
Energy: 1.041509326219693
Energy: 0.8125658397023983
Energy: 1.059130513035399
Energy: 0.8228099078849125
Energy: 1.114767000922576
Energy: 0.8172991790736316
Energy: 0.9680053482943537
Energy: 0.8172991807171565
Energy: 1.0378520396470796
Energy: 0.8064687362096797
Energy: 1.0455132509785754
Energy: 0.8069597937123149
Energy: 0.9501126450049405
Energy: 0.8186901609664873
Energy: 1.090842106671287
Energy: 0.8186901634702805
Energy: 1.0347719606100882
Energy: 0.7920784074941495
Energy: 1.0471271471155856
Energy: 0.7918666413955676
Energy: 1.043226726510356
Energy: 0.8195798746356067
Energy: 0.9803047751943182
Energy: 0.8195798746282661
Energy: 1.0516821026763672
Energy: 0.8153639671868281
Energy: 1.034610967623564
Energy: 0.8153638948598063
Energy: 0.9826062993285665
Energy: 0.8184807187467402
Energy: 1.103900490301009
Energy: 0.8184807190439023
Energy: 1.031680896684056
Energy: 0.8129165572572892
Energy: 1.041871425394235
Energy: 0.8129166160353085
Energy: 0.9990967356460894
Energy: 0.8165522754396157
Energy: 1.0301216836273852
Energy: 0.8165522750186467
Energy: 1.0708105879290024
Energy: 0.8086998831483221
Energy: 1.0431143701114851
Energy: 0.8086991716305164
Energy: 1.0419009992890411
Energy: 0.8164855614217689
Energy: 0.9859503819731316
Energy: 0.8164855719790278
Energy: 1.034870996385988
Energy: 0.7881308187923846
Energy: 1.0603806975303396
Energy: 0.7881308405901875
Energy: 0.9549882105821088
Energy: 0.816411671064189
Energy: 1.0756381836998237
Energy: 0.8164116751078863
Energy: 1.039217594639587
Energy: 0.7988440919224602
Energy: 1.0486832550597616
Energy: 0.7988487760238566
Energy: 1.102058820208089
Energy: 0.8165910240579727
Energy: 0.9735972107554869
Energy: 0.8165910539321595
Energy: 1.0922818409808956
Energy: 0.9496647862872021
Energy: 1.0366039706976355
Energy: 0.9496121370751607
Energy: 0.9649796439264349
Energy: 0.85554029321562
Energy: 1.1326604999026748
Energy: 0.8555400084144269
Energy: 1.0509735744917093
Energy: 0.9965437011413376
Energy: 1.075984051271084
Energy: 0.9845914855775584
Energy: 1.152975650580351
Energy: 0.862607208416383
Energy: 0.9402369554546368
Energy: 0.8626074053256879
Energy: 1.1041408502400656
Energy: 0.9462895477452894
Energy: 1.0019537028930898
Energy: 0.9463690283632691
Energy: 0.9104676120680025
Energy: 0.9140363890711883
Energy: 1.2323409092473148
Energy: 0.9140362211822037
Energy: 1.0317060008529317
Energy: 0.885458090483366
Energy: 1.115809503986946
Energy: 0.8901886422165207
Energy: 1.2454768418784758
Energy: 0.9330803509226069
Energy: 1.110243064552941
Energy: 0.9330778272426951
Energy: 1.145585058147162
Energy: 0.8899005240754065
Energy: 1.066750165282745
Energy: 0.8891406608289042
Energy: 0.9149534804052947
Energy: 0.9170298491587804
Energy: 1.2474917524399676
Energy: 0.917029790210159
Energy: 1.0513031852776167
Energy: 0.8530745061951136
Energy: 1.1047211423460508
Energy: 0.8535798205969368
Energy: 1.172351466340933
Energy: 0.8639558454404921
Energy: 0.9281837393875632
Energy: 0.8639559116327138
Energy: 1.1023517690228501
Energy: 0.8332300351258459
Energy: 1.0315323806604046
Energy: 0.8400278649285825
Energy: 0.942074902284537
Energy: 0.8563615659332895
Energy: 1.1226728347496364
Energy: 0.8563615656196324
Energy: 1.0371473229245847
Energy: 0.8103270228763841
Energy: 1.0643427085192785
Energy: 0.8101179560690529
Energy: 1.0961764488033492
Energy: 0.821018202961177
Energy: 0.9638556796647343
Energy: 0.8210182035013655
Energy: 1.0707869658279823
Energy: 0.8078363204980689
Energy: 1.024560530089943
Energy: 0.8106747685809463
Energy: 0.9634222612124295
Energy: 0.81963984685635
Energy: 1.0629587585634173
Energy: 0.8196398467857403
Energy: 1.0330020917502072
Energy: 0.7981488320265407
Energy: 1.0487135192312125
Energy: 0.7981472253820744
Energy: 1.0404885244281805
Energy: 0.7920655554252815
Energy: 0.9931479269922714
Energy: 0.7920655563405822

minimum gb energy = 0.7881308187923846 eV
minimum distance =  2.24050347965911 Angstroms
sigma value = 113


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

Energy: 0.015017448172857916
Energy: 0.015180108123247642
Energy: 1.6297742532777877
Energy: 0.015180108122542274
Energy: 0.015468252793005158
Energy: 0.8908941999045251
Energy: 0.015468252793671339
Energy: 0.8908941999045251
Energy: 1.6297746202834662
Energy: 0.015180108122542274
Energy: 0.015017448172857916
Energy: 0.015180108122542274
Energy: 0.015468252793005158
Energy: 0.8908941999052304
Energy: 0.015468252793671339
Energy: 0.8908941999052304
Energy: 0.015017448172857916
Energy: 0.015180108122542274
Energy: 1.6297742530213477
Energy: 0.015180108122542274
Energy: 0.015468252793671339
Energy: 0.8908941999045251
Energy: 0.015468252793671339
Energy: 0.8908941999045251

minimum gb energy = 0.015017448172857916 eV
minimum distance =  2.41258822354355 Angstroms
sigma value = 1