Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.62842905521393
cohesive_energy=4.196039813136094
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: -2.38418579101562e-07 eV

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

Energy: 0.016092893727140442
Energy: 0.016234813709467062
Energy: -0.10458536321682727
Energy: 0.016234813710055054
Energy: 0.016234813709467062
Energy: 1.3740926866682845
Energy: 0.016234813710055054
Energy: 1.3740926866676964
Energy: -0.10458536321682727
Energy: 0.016234813709467062
Energy: 0.016092893727140442
Energy: 0.016234813709467062
Energy: 0.016234813710055054
Energy: 1.3740926866676964
Energy: 0.016234813710055054
Energy: 1.3740926866682845

minimum gb energy = -0.10458536321682727 eV
minimum distance =  2.51538106000307 Angstroms
sigma value = 1


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

Energy: -0.4436164271661417
Energy: -0.015486719202970135
Energy: -0.5112931689615478
Energy: -0.015486723496572194
Energy: -0.37412540159007984
Energy: -0.13504133553981698
Energy: -0.44659247188462314
Energy: -0.13541291953632342
Energy: -0.1372563873804801
Energy: 0.08104229153242619
Energy: -0.26521404335291016
Energy: 0.08104189900119559
Energy: -0.09360971993851172
Energy: -0.14423382117048855
Energy: -0.34344025271872103
Energy: -0.14423343647099243
Energy: -0.27047388321615257
Energy: -0.11587183262165103
Energy: -0.200819277779111
Energy: -0.11590000779856253
Energy: -0.34003237334580627
Energy: 0.33919592399395837
Energy: -0.07265524714767223
Energy: 0.33919592399395837
Energy: -0.46090226461744216
Energy: 0.14735959303153448
Energy: -0.37261983272020754
Energy: 0.14735946294001162
Energy: -0.3993393453150949
Energy: -0.044876739006922385
Energy: 0.07200924424991337
Energy: -0.04487703846951823
Energy: -0.23107287008548452
Energy: 0.12299784825765075
Energy: -0.35689909065519443
Energy: 0.12299825040708261
Energy: -0.08046675478504886
Energy: 0.23001018499096784
Energy: -0.21392921103757617
Energy: 0.230010207043942
Energy: -0.5888621266167472
Energy: -0.12050604340620301
Energy: -0.3949910090035079
Energy: -0.12050472565977406
Energy: -0.20872960495452164
Energy: -0.08049076398849178
Energy: -0.3448132955588169
Energy: -0.08029555362418177
Energy: -0.4579412344596688
Energy: 0.19969819595730617
Energy: -0.4033479233374412
Energy: 0.19969819821993998
Energy: -0.5222708471224565
Energy: 0.01782070463379552
Energy: -0.26063414083799386
Energy: 0.017820690376381614
Energy: -0.1365167825162389
Energy: -0.09175956660580445
Energy: -0.4515082660776907
Energy: -0.10120235965051311
Energy: -0.2663716043135119
Energy: -0.06451052308614193
Energy: -0.47474718466262167
Energy: -0.06451052330881535
Energy: -0.29516442962822886
Energy: 0.18700809424416506
Energy: -0.20653226309890454
Energy: 0.18700809116792214
Energy: -0.5016395408560796
Energy: -0.04612775226808969
Energy: -0.43821133619274355
Energy: -0.046127751087728375
Energy: -0.035876256128093996
Energy: -0.013344562235223314
Energy: -0.4237930234604948
Energy: -0.013344573407333617
Energy: -0.5091751457878271
Energy: -0.588369106432685
Energy: -0.3439837619602909
Energy: -0.5883693439952278
Energy: -0.16623784792760135
Energy: 0.17286208569193698
Energy: -0.1606060866239256
Energy: 0.17286208051752563
Energy: -0.23239166990680726
Energy: -0.12209698165944696
Energy: -0.23179643223397034
Energy: -0.14501043939705743
Energy: -0.15902767357729883
Energy: -0.021533312081908756
Energy: -0.24494239777578714
Energy: -0.02153331106223747
Energy: -0.21338285626266984
Energy: 0.18608047313006756
Energy: -0.5757741231715027
Energy: 0.18608047318511817
Energy: -0.38824220758194944
Energy: 0.36628005688167053
Energy: -0.3764541275218843
Energy: 0.36628007394741907
Energy: -0.17288895369618085
Energy: -0.0608094880049702
Energy: -0.299100225213733
Energy: -0.06081062601647096
Energy: -0.35732995781983956
Energy: 0.39309126466020616
Energy: -0.45617685122206625
Energy: 0.3930912611876952
Energy: -0.22738371529983317
Energy: 0.2165786100604495
Energy: -0.4059056541195324
Energy: 0.2165786093238563
Energy: -0.4612314922452626
Energy: 0.030723722028937053
Energy: -0.28996581705048036
Energy: 0.030756564125938933
Energy: -0.6331525342622343
Energy: -0.025687887596425985
Energy: -0.26939485330621077
Energy: -0.025687886865804567
Energy: -0.3361626108698266
Energy: 0.014435741618941147
Energy: -0.5203973201736743
Energy: 0.014435637134449703
Energy: -0.14822662726539296
Energy: 0.13451589111572163
Energy: -0.34561985293019754
Energy: 0.13451589234969208
Energy: -0.26917838105689124
Energy: -0.22056700806703042
Energy: -0.35644804952382675
Energy: -0.22201082277754242

minimum gb energy = -0.6331525342622343 eV
minimum distance =  2.32736096998469 Angstroms
sigma value = 1


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

Energy: -0.10618983142801712
Energy: 0.2397462212492105
Energy: -0.18443013667859712
Energy: 0.25502882971667634
Energy: 0.0029750627265832364
Energy: 0.08793756777126405
Energy: -0.11165491961745803
Energy: 0.08799271695847609
Energy: 0.01930877228475726
Energy: 0.22960769989451202
Energy: -0.16178211947408783
Energy: 0.22968213089474496
Energy: 0.05912424715311704
Energy: 0.15656401445797483
Energy: -0.015035155518596473
Energy: 0.15652139575011814
Energy: 0.12016065820616477
Energy: 0.45989021933142493
Energy: 0.20928736502771508
Energy: 0.45252389106802987
Energy: -0.18531640748073586
Energy: 0.4584536546826198
Energy: 0.16201637124392457
Energy: 0.3929774438338945
Energy: 0.013241316701816771
Energy: -0.05406483618517999
Energy: -0.03032925897448788
Energy: -0.05406482709898447
Energy: 0.087118460248569
Energy: 0.24971577097898034
Energy: 0.38345589126049945
Energy: 0.24971576694833234
Energy: 0.15193655414940796
Energy: 0.21805792221630982
Energy: -0.1130305833071908
Energy: 0.2370437765440889
Energy: 0.15325160910106944
Energy: 0.19490001838198756
Energy: 0.19305356380038616
Energy: 0.1949175606056136
Energy: 0.011031310958678276
Energy: 0.1283526850880381
Energy: -0.1416145779052969
Energy: 0.055302993276024955
Energy: 0.06805647661421384
Energy: 0.3288378186587859
Energy: -0.21830867364276674
Energy: 0.3288382690357431
Energy: -0.06885875810842675
Energy: 0.44266263765982794
Energy: 0.1540868136780444
Energy: 0.43823283189983175
Energy: -0.1913897183073836
Energy: 0.4740952051139687
Energy: 0.21375530363424772
Energy: 0.4740949349695327
Energy: 0.11530411946590734
Energy: 0.345202143031883
Energy: -0.10645883581330903
Energy: 0.34520213893064133
Energy: -0.040466460978887515
Energy: 0.04840771133516362
Energy: -0.03939615109119869
Energy: 0.11196116576905238
Energy: 0.1020437847736548
Energy: 0.19497906782674504
Energy: 0.20943268591021758
Energy: 0.23643985832823192
Energy: 0.029481330443218996
Energy: 0.1962138219804703
Energy: -0.054679225787187244
Energy: 0.19620646868305497
Energy: 0.10389369214089707
Energy: 0.16350149244502876
Energy: 0.30598907767444156
Energy: 0.21509072027367204
Energy: -0.10206290506319822
Energy: -0.19982975054492563
Energy: -0.2383226502617988
Energy: -0.1589976872089821
Energy: -0.14242927443211736
Energy: 0.4461100128056347
Energy: 0.37890917724404516
Energy: 0.44611002495009344
Energy: 0.15791590131591196
Energy: 0.4366256249855854
Energy: 0.09107149396268673
Energy: 0.4358769167162724
Energy: 0.05827212448987783
Energy: 0.1635409042691732
Energy: -0.0816554393458162
Energy: 0.16354334633658754
Energy: 0.007186998891999088
Energy: 0.23621959652755448
Energy: -0.10969481898048888
Energy: 0.2361653148929278
Energy: 0.02155580355061036
Energy: 0.11401363916135719
Energy: -0.08407177411226159
Energy: 0.11417809549100624
Energy: -0.11608740433076488
Energy: 0.25509586426805797
Energy: 0.06760076293342346
Energy: 0.2551164349974849
Energy: 0.007396787639083464
Energy: 0.08801564426564204
Energy: -0.04222209762970994
Energy: 0.08798322327596002
Energy: 0.019308658161366763
Energy: 0.2293036334925972
Energy: -0.15817772040329592
Energy: 0.22944755742107215
Energy: 0.1289214608612447
Energy: 0.1564379339604975
Energy: -0.1331542815213056
Energy: 0.15642771330102434

minimum gb energy = -0.2383226502617988 eV
minimum distance =  2.21811113209437 Angstroms
sigma value = 25


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

Energy: 0.2552321231518854
Energy: 0.7348002454643393
Energy: -0.1418622693245316
Energy: 0.7038161599085452
Energy: 0.27680559039849223
Energy: 0.6328729631514864
Energy: 0.2302140994003017
Energy: 0.637742624999971
Energy: 0.38213351708943477
Energy: 1.3004271545566675
Energy: 0.4045139523284316
Energy: 1.3004271545566675
Energy: 0.5867317771958507
Energy: 0.4055222774831428
Energy: 0.2390702259813163
Energy: 0.454480225891206
Energy: 0.2508066019912252
Energy: 0.7217605718892144
Energy: 0.4095802392446526
Energy: 0.7154523733027078
Energy: 0.021844199889495774
Energy: 0.5527565580914577
Energy: 0.24679654811921684
Energy: 0.552756531493704
Energy: 0.24192890274437415
Energy: 0.37562007528284413
Energy: 0.06480525762548277
Energy: 0.37562181495225533
Energy: -0.34525131125617864
Energy: 1.2766376488903715
Energy: 0.20014487833973804
Energy: 1.2766376488913722
Energy: 0.07868785630207514
Energy: 0.5125440438524359
Energy: 0.19267743693759426
Energy: 0.5125198589265555
Energy: 0.3719431784126281
Energy: 0.48663516083219527
Energy: 0.41561258288578806
Energy: 0.49071936331618704
Energy: 0.3043420983011475
Energy: 0.7540462220670159
Energy: 0.1992867510613262
Energy: 0.7542529625371482
Energy: 0.24738699170927228
Energy: 0.766782957824245
Energy: 0.22471523970250076
Energy: 0.7263312395026951
Energy: 0.3979206903478233
Energy: 0.45122120936442855
Energy: 0.3962441712538544
Energy: 0.45121876775164454
Energy: 0.0019165467999829868
Energy: 0.3212990131237958
Energy: 0.2506189247687012
Energy: 0.2398372001056698
Energy: 0.41355314994490505
Energy: 0.7735500935794619
Energy: 0.2492815743549401
Energy: 0.7735482905231149
Energy: 0.25539001619528573
Energy: 0.30053608165576556
Energy: 0.33221127166163766
Energy: 0.23548236533336286
Energy: 0.3886283602871101
Energy: 1.3008156018213592
Energy: 0.3965715829180963
Energy: 1.3008156018223145
Energy: 0.30540587476854925
Energy: 0.48320299942252504
Energy: 0.4515426592049514
Energy: 0.48320296422393705
Energy: 0.3553664831444021
Energy: 0.2955008423911741
Energy: 0.20744292862793326
Energy: 0.36506546935988504
Energy: 0.21808089857030682
Energy: 0.4854467635535793
Energy: 0.3929104065102382
Energy: 0.5141422984352967
Energy: 0.15879860214625513
Energy: 0.6852665515602822
Energy: 0.3972620702362625
Energy: 0.685268056160197
Energy: 0.08553043032134804
Energy: 1.2689540377199575
Energy: 0.22732608434417265
Energy: 1.2689540377199575
Energy: 0.2500509670544865
Energy: 0.449439643711818
Energy: -0.04044432962316892
Energy: 0.45845280865513427
Energy: 0.3717370178480692
Energy: 1.3009998874428759
Energy: 0.3749555469668543
Energy: 1.3009998874418751
Energy: -0.16426445287903935
Energy: 0.12317760607789895
Energy: 0.31950239365389865
Energy: 0.12317772171001645

minimum gb energy = -0.34525131125617864 eV
minimum distance =  2.25808453905651 Angstroms
sigma value = 9


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

Energy: 0.534759277941418
Energy: 0.6260301298831684
Energy: -0.6534806048749311
Energy: 0.591669850650695
Energy: 0.36722258347914377
Energy: 0.5371500484569925
Energy: 0.5566900886831918
Energy: 0.4647243633073421
Energy: 0.6178021379081738
Energy: 0.5552469738115682
Energy: 0.45177967631153915
Energy: 0.567076168371844
Energy: 0.5387905002000379
Energy: 0.509458913904451
Energy: 0.3864633339418788
Energy: 0.5396287080078213
Energy: 0.03309099641383238
Energy: 0.7561174262340995
Energy: 0.5885153152319861
Energy: 0.8323732039461855
Energy: 0.5835463136591817
Energy: 0.5388747055040065
Energy: 0.41675609628294685
Energy: 0.575288156067997
Energy: 0.6014433583017554
Energy: 0.42529624545266226
Energy: 0.4893092835499024
Energy: 0.4560315542700128
Energy: 0.46631496965662417
Energy: 0.446593186102326
Energy: 0.43061954994194324
Energy: 0.5372104792441961
Energy: 0.4978479268377181
Energy: 0.8047032672187051
Energy: 0.5804304172162728
Energy: 0.5574137813334509
Energy: 0.6311667734213874
Energy: 0.7656081304553197
Energy: 0.46446373433929034
Energy: 0.7158616661059848
Energy: 0.44523483003963354
Energy: 0.8327115833883142
Energy: 0.5213668693707469
Energy: 0.8068034207659375
Energy: 0.26955066468904204
Energy: 0.6319678827556547
Energy: 0.3329125336300484
Energy: 0.6349411698088042
Energy: 0.6364403970596452
Energy: 0.601955316463311
Energy: 0.6652133498233225
Energy: 0.5296011278468448
Energy: 0.36411441814888473
Energy: 0.6707833465338074
Energy: -1.0751379845651559
Energy: 0.7985418047148436
Energy: 0.6833080896448857
Energy: 0.5680126200237917
Energy: 0.6641373308561855
Energy: 0.5807455450244223
Energy: 0.1448667203191337
Energy: 0.9030906372623421
Energy: 0.30177029129586685
Energy: 0.917309357061895
Energy: 0.19133605237146264
Energy: 0.788079818898743
Energy: 0.43626149093749356
Energy: 0.6562478626151408
Energy: 0.4784054876199859
Energy: 0.6411214910992378
Energy: 0.4164246853002266
Energy: 0.6856434198495006
Energy: 0.3141129966878228
Energy: 0.39682352425503875
Energy: 0.4457426070224713
Energy: 0.5078815620547386
Energy: 0.4376339338014663
Energy: 0.5498878321596851
Energy: 0.49605936292582
Energy: 0.513779752760407
Energy: 0.4773247448552474
Energy: 0.6543702843557269
Energy: 0.46313848506361993
Energy: 0.5291012033441462

minimum gb energy = -1.0751379845651559 eV
minimum distance =  2.26886330186047 Angstroms
sigma value = 25


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

Energy: 1.0724173865326438
Energy: 1.516342651793656
Energy: -0.12164290911928097
Energy: 1.5163426517951322
Energy: 1.0455394199455375
Energy: 1.2870279926592159
Energy: 1.0495035605321472
Energy: 1.2870279926592159
Energy: 1.0238550119008134
Energy: 0.9323232923030347
Energy: 1.0176924604342883
Energy: 0.932318262080375
Energy: 1.09473249777902
Energy: 1.3088030414256002
Energy: 0.9564225825621835
Energy: 1.3088030414241236
Energy: 0.9798502338676895
Energy: 1.054929079779033
Energy: 1.049092257657394
Energy: 1.0549290797775563
Energy: 1.0257467485134766
Energy: 1.45963005710444
Energy: 1.0269705687944277
Energy: 1.45963005710444
Energy: 1.048765373427475
Energy: 1.293222975797495
Energy: 1.0471456505509449
Energy: 1.293222975797495
Energy: 0.9622040444137542
Energy: 1.314488353269568
Energy: 1.0562088131945293
Energy: 1.3144883532872846
Energy: 1.017970127204737
Energy: 1.3023289623443315
Energy: 1.0449579671945877
Energy: 1.3023289623428551
Energy: 0.7133550534237821
Energy: 1.3386009140654027
Energy: 1.046557132915773
Energy: 1.3386009140654027
Energy: 0.9322041126202143
Energy: 1.2728211500728634
Energy: 0.7585789860613465
Energy: 1.2728211500728634
Energy: 1.0495258944477561
Energy: 0.9928830060292089
Energy: 0.8204286699806819
Energy: 0.8330337757709478
Energy: 1.0282660352013673
Energy: 1.1540589315528373
Energy: 1.0236291942990732
Energy: 1.1540589278575042
Energy: 1.0490867336086083
Energy: 1.3084525334514492
Energy: 1.0959444025148204
Energy: 1.3084525334514492
Energy: 1.0487438789699506
Energy: 1.5158716544195958
Energy: 0.9698120573754204
Energy: 1.5158716544181194
Energy: 1.0566189286552403
Energy: 1.3381627197483987
Energy: 1.0256664462085008
Energy: 1.3381627197454458
Energy: 1.047273803447028
Energy: 1.1194654081680449
Energy: 0.8043642937198262
Energy: 1.1194654081680449

minimum gb energy = -0.12164290911928097 eV
minimum distance =  2.36062567738198 Angstroms
sigma value = 17


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

Energy: 1.1604742978982043
Energy: 1.1475242472457678
Energy: 1.041743600374683
Energy: 1.1475242472466038
Energy: 1.091742733084037
Energy: 1.110980173831763
Energy: 1.0260525517813364
Energy: 1.110980173831763
Energy: 1.0745448849847
Energy: 1.073140699242233
Energy: 1.0297216641929539
Energy: 1.0731406992430692
Energy: 1.0448257154649832
Energy: 1.0647035843343615
Energy: 1.003293282981454
Energy: 1.0647007843058895
Energy: 1.127594144856967
Energy: 1.309862635321621
Energy: 1.0262498042594577
Energy: 1.309862635322457
Energy: 1.087340654700201
Energy: 1.0408792345974998
Energy: 0.990071362262428
Energy: 1.0408792345966635
Energy: 1.0496700943781416
Energy: 1.1444114500920837
Energy: 1.029064272966199
Energy: 1.1444114500929197
Energy: 1.0411280124717877
Energy: 1.0296399425351332
Energy: 1.073223019459343
Energy: 1.029639942534297
Energy: 1.0723785325636963
Energy: 1.2813767094594404
Energy: 0.9712487170431081
Energy: 1.2813767094594404
Energy: 1.0166286040770507
Energy: 1.087555342584028
Energy: 1.0479505893482743
Energy: 1.087555342584028
Energy: 1.065285944966864
Energy: 1.0335145425094399
Energy: 1.0309964250313144
Energy: 1.0335145425077674
Energy: 1.0760621218871942
Energy: 1.0947101512438497
Energy: 1.0544358912478862
Energy: 1.0947101512446862
Energy: 1.0665327091703478
Energy: 1.0342733497885153
Energy: 1.1634149041899204
Energy: 1.0342733497868428
Energy: 1.045658771918352
Energy: 1.100386498449154
Energy: 1.0927883399800578
Energy: 1.1003864984357752
Energy: 1.043780544534838
Energy: 1.144195007731559
Energy: 1.0760160145842939
Energy: 1.1441950077307226
Energy: 1.0223952364689428
Energy: 1.0283455314275982
Energy: 1.039387331379942
Energy: 1.0283455314292707
Energy: 1.02798218927455
Energy: 1.0803304163701162
Energy: 1.0825805976532572
Energy: 1.0803304163709522
Energy: 0.9798837415507552
Energy: 1.123471693924025
Energy: 1.0872416145836021
Energy: 1.123471693923189
Energy: 1.026819366547168
Energy: 1.131894368900615
Energy: 1.0987021636572636
Energy: 1.1318943689073044
Energy: 1.0284935897248175
Energy: 1.0880805942470815
Energy: 1.0507482231145544
Energy: 1.0880805943114291
Energy: 0.9929606751401386
Energy: 1.130156181296774
Energy: 1.0725897767880335
Energy: 1.130156181296774
Energy: 1.0264912546832394
Energy: 1.0110464373057177
Energy: 1.0704441262154185
Energy: 1.01104643730739
Energy: 0.9610940015725999
Energy: 1.08813935191639
Energy: 1.0615208401878313
Energy: 1.0881393519155536
Energy: 1.058487421969481
Energy: 1.1415099070322268
Energy: 1.0702612540410745
Energy: 1.141509907033899
Energy: 1.0563369346545655
Energy: 1.1501896977322539
Energy: 1.0614392671452584
Energy: 1.1501896977322539
Energy: 0.9192238128990329
Energy: 1.286900873538383
Energy: 1.062306554536807
Energy: 1.2869008735375467
Energy: 1.0256432133302793
Energy: 1.0883022146771832
Energy: 1.0323450230545974
Energy: 1.088302214676347
Energy: 0.9703138152005755
Energy: 1.0413323214135326
Energy: 1.0742285729154923
Energy: 1.0413323214126964
Energy: 1.0393960967641978
Energy: 1.1835274299807366
Energy: 1.0503082478600194
Energy: 1.1835274299815728
Energy: 1.0731795610851913
Energy: 1.1437516312883673
Energy: 1.0320464425355844
Energy: 1.1437516312875307

minimum gb energy = 0.9192238128990329 eV
minimum distance =  2.30812114792042 Angstroms
sigma value = 53


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

Energy: 1.1185657550124175
Energy: 1.117011850593257
Energy: 1.2027372469688205
Energy: 1.117011850593257
Energy: 1.1693950803498405
Energy: 1.1416487261660935
Energy: 0.9632363055996233
Energy: 1.1416487261660935
Energy: 1.0904125824394288
Energy: 1.191045500868926
Energy: 1.029018028926133
Energy: 1.1910455008727758
Energy: 1.090457721963629
Energy: 1.1884869369805064
Energy: 1.0289990296895881
Energy: 1.1884869368862239
Energy: 1.1689035735659068
Energy: 1.1414669276801719
Energy: 0.961510268593108
Energy: 1.1414669276801719
Energy: 1.1185657550124175
Energy: 1.1170118505951823
Energy: -0.6085351438102623
Energy: 1.1170118505951823
Energy: 1.1693950807096891
Energy: 1.1416487261660935
Energy: 1.068682011632916
Energy: 1.1416487261641683
Energy: 1.0904125824394288
Energy: 1.191045500870851
Energy: 0.9610022168394404
Energy: 1.191045500870851
Energy: 1.090457721963629
Energy: 1.1884869370497637
Energy: 0.9613057537212022
Energy: 1.1884869369901319
Energy: 1.1689035735216313
Energy: 1.1414669276801719
Energy: 1.0661865912000104
Energy: 1.1414669276782465
Energy: 1.1185657550124175
Energy: 1.117011850593257
Energy: 0.6973976204498928
Energy: 1.117011850593257
Energy: 1.169395080511499
Energy: 1.1416487261660935
Energy: 1.06619268992491
Energy: 1.1416487261660935
Energy: 1.0904125824394288
Energy: 1.1910455008727758
Energy: 1.1612083149108092
Energy: 1.191045500870851

minimum gb energy = -0.6085351438102623 eV
minimum distance =  2.32614094744532 Angstroms
sigma value = 9


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

Energy: 1.217556287526539
Energy: 1.1035229574110061
Energy: 1.255140873444501
Energy: 1.1035229574117185
Energy: 1.1034208307560136
Energy: 1.1244186758557915
Energy: 1.058055257186124
Energy: 1.1244186758543664
Energy: 1.0482208460274174
Energy: 1.249608068067017
Energy: 1.0488708213554339
Energy: 1.2496080680684418
Energy: 1.0511500965283453
Energy: 1.1850180314939809
Energy: 1.0597386209701423
Energy: 1.1850180314939809
Energy: 1.1154470862166463
Energy: 1.1906058372388473
Energy: 1.0340461576682531
Energy: 1.1906058372395598
Energy: 1.2036947440773453
Energy: 1.199752539922536
Energy: 1.038201206303349
Energy: 1.199752539922536
Energy: 1.2075367425142114
Energy: 1.1088074798462855
Energy: 1.0557156079143482
Energy: 1.1088074798477106
Energy: 1.0753231582095721
Energy: 1.1834477858293377
Energy: 1.1013127370204545
Energy: 1.1834477858321877
Energy: 1.0511329269686789
Energy: 1.2440712871408268
Energy: 1.06090126195921
Energy: 1.2440712871429642
Energy: 1.050089534043008
Energy: 1.1768754930901841
Energy: 1.052464942328565
Energy: 1.1768754930887593
Energy: 1.094777215694988
Energy: 1.3297028045518717
Energy: 1.0713305333701535
Energy: 1.329702804551159
Energy: 1.0912790030401778
Energy: 1.1389487056136767
Energy: 1.043683967315744
Energy: 1.1389487056122516
Energy: 1.0713513845302538
Energy: 1.1956051749639354
Energy: 1.1131209776659823
Energy: 1.195605174961798
Energy: 1.0562409958417722
Energy: 1.3802667888142632
Energy: 1.2225869202676547
Energy: 1.380266788811413
Energy: 1.074872900681451
Energy: 1.1750993718762008
Energy: 1.0847708249942396
Energy: 1.1750993718754885
Energy: 1.0618172362435871
Energy: 1.2463346979988055
Energy: 1.0324989078310856
Energy: 1.246334697999518
Energy: 1.0775272837227148
Energy: 1.1792847983228065
Energy: 1.0743941730453106
Energy: 1.1792847983256565
Energy: 1.0499229689887035
Energy: 1.1105659202634481
Energy: 1.0722237161638102
Energy: 1.1105659202627354
Energy: 1.1160778404416223
Energy: 1.1945927366243687
Energy: 1.205308052747874
Energy: 1.1945927366222313
Energy: 1.0282385371358924
Energy: 1.1500221067789567
Energy: 1.1004861130418706
Energy: 1.1500221067796692
Energy: 1.060204349854635
Energy: 1.1393078565722763
Energy: 1.0523119448869365
Energy: 1.1393078565708514
Energy: 1.1449948751005825
Energy: 1.2470388175734504
Energy: 1.0497743585854182
Energy: 1.2470388175741627
Energy: 1.06015957431305
Energy: 1.1343651437790871
Energy: 1.051739333990401
Energy: 1.1343651437819373
Energy: 1.1123745418613278
Energy: 1.1845472936684251
Energy: 1.0932723664581812
Energy: 1.1845472936670003
Energy: 1.055475915637488
Energy: 1.2291349426990352
Energy: 1.1639263700917486
Energy: 1.2291349426990352
Energy: 1.0398724696997488
Energy: 1.1302372845087152
Energy: 1.0708226030473442
Energy: 1.13023728450308
Energy: 1.1754256036420425
Energy: 1.1751892736104033
Energy: 1.0554286648340654
Energy: 1.1751892736118286
Energy: 1.082910164866482
Energy: 1.185218036401778
Energy: 1.0548922053569845
Energy: 1.185218036404628
Energy: 1.0518387808395329
Energy: 1.1304180231780272
Energy: 1.0706019417036836
Energy: 1.1304180231751773
Energy: 1.0581271318602767
Energy: 1.226766481944238
Energy: 1.1603317771495325
Energy: 1.2267664819449506
Energy: 1.1695001585369023
Energy: 1.3881406998976777
Energy: 1.0928477418267581
Energy: 1.388140699894828
Energy: 1.058054142221213
Energy: 1.17880831054496
Energy: 1.0504566959662487
Energy: 1.1788083105435347
Energy: 1.056550028821571
Energy: 1.2474866815083427
Energy: 1.0499774375617434
Energy: 1.2474866815083427
Energy: 1.0588328397725766
Energy: 1.1812128894945013
Energy: 1.0512565677043582
Energy: 1.1812128894923637
Energy: 1.0471094367058722
Energy: 1.1378530564422729
Energy: 1.2070823628180984
Energy: 1.1378530564429852

minimum gb energy = 1.0282385371358924 eV
minimum distance =  2.33862943485184 Angstroms
sigma value = 73


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

Energy: 1.1847765348505066
Energy: 1.1846325718441986
Energy: 0.6093703896798327
Energy: 1.1846325718475899
Energy: 1.1142398304653705
Energy: 1.1505689748410797
Energy: 1.0362359326986403
Energy: 1.15056897484221
Energy: 1.0622305843271986
Energy: 1.3383493511283782
Energy: 1.0385077927309376
Energy: 1.338349351130639
Energy: 1.0118127071828251
Energy: 1.1730879509886087
Energy: 1.0612625376296734
Energy: 1.1730879509897392
Energy: 1.0105346305614114
Energy: 1.1701369050803896
Energy: 1.0806828683359484
Energy: 1.1701369050803896
Energy: 1.1082031727259873
Energy: 1.1566391740107458
Energy: 0.9739326458748401
Energy: 1.1566391740130064
Energy: 1.2010811007733846
Energy: 1.1353419149582815
Energy: 1.0416514528335297
Energy: 1.1353419149401949
Energy: 1.0748210778704872
Energy: 1.06444137310547
Energy: 1.0596391995828
Energy: 1.0644413731145137
Energy: 1.0686258210102941
Energy: 1.0432476216978535
Energy: 1.1444708714986804
Energy: 1.0432476216978535
Energy: 1.0634917803808364
Energy: 1.0966919277349927
Energy: 1.0623294997471886
Energy: 1.0966919277338623
Energy: 0.9955710433010625
Energy: 1.0416937371349049
Energy: 1.0389470929144873
Energy: 1.0416937371360353
Energy: 1.0957819321133013
Energy: 1.2567174971327355
Energy: 1.0090732988197872
Energy: 1.2567174971338662
Energy: 1.086428766014463
Energy: 1.103322802942228
Energy: 1.0310727379455231
Energy: 1.1033228029377062
Energy: 0.7832224721351967
Energy: 1.090929156896183
Energy: 1.1203037473774544
Energy: 1.0909291569074613
Energy: 0.9993801690961569
Energy: 1.1922861107236065
Energy: 1.1349492298133235
Energy: 1.1922861107236065
Energy: 1.0396856770532805
Energy: 1.1604454050322102
Energy: 1.0755681284559935
Energy: 1.1604454050536879
Energy: 1.0800914200380305
Energy: 1.3928113825836663
Energy: 1.062518777357523
Energy: 1.3928113825870572
Energy: 1.0761075987798088
Energy: 1.160829937616684
Energy: 1.0453896178588655
Energy: 1.1608299376268574
Energy: 1.0374678917024558
Energy: 1.1394070120473248
Energy: 1.0746955890719865
Energy: 1.1394070120473248
Energy: 1.0369266983754362
Energy: 1.4117849335497348
Energy: 1.1349786194766938
Energy: 1.4117849335124568
Energy: 1.0708559424665876
Energy: 1.1526964829595412
Energy: 1.1233048353093091
Energy: 1.1526964829606714
Energy: 1.0585760848954837
Energy: 1.1177253104962643
Energy: 0.9981927397278663
Energy: 1.1177253104940033

minimum gb energy = 0.6093703896798327 eV
minimum distance =  2.33028327445976 Angstroms
sigma value = 7


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

Energy: 1.2587845669117341
Energy: 1.2554909580433473
Energy: 0.5193663058850724
Energy: 1.255490958042548
Energy: 1.1375743783643735
Energy: 1.1465954805077638
Energy: 1.0777414729133916
Energy: 1.1465954805045666
Energy: 1.079380712483022
Energy: 1.2621878908524853
Energy: 1.0113777940245712
Energy: 1.262187890854084
Energy: 0.9424839417999114
Energy: 1.1097628613981128
Energy: 1.076041533496252
Energy: 1.109762861402909
Energy: 1.082271201552067
Energy: 1.220487618050798
Energy: 1.0053653143403776
Energy: 1.2204876180484001
Energy: 1.0424879239059506
Energy: 1.0274226915957532
Energy: 1.035634619432538
Energy: 1.0274226915925557
Energy: 1.1911391999600434
Energy: 1.0860645947761483
Energy: 1.0059551187695825
Energy: 1.0860645947769476
Energy: 1.0421316662832205
Energy: 1.027123925069507
Energy: 0.9805121949736605
Energy: 1.027123925072704
Energy: 0.8618280039985695
Energy: 1.0803842676262627
Energy: 1.0730113189720427
Energy: 1.0803842676238649
Energy: 1.0432420291332014
Energy: 1.1082110738503879
Energy: 1.124237004267936
Energy: 1.108211073853585
Energy: 0.9776110317321003
Energy: 1.1530565571444396
Energy: 1.0057626483762294
Energy: 1.1530565571412426
Energy: 1.0450058743752586
Energy: 1.2173243170197474
Energy: 1.0043338375904562
Energy: 1.217324317025343
Energy: 1.0425687074152956
Energy: 1.0303413821637455
Energy: 1.004776073869196
Energy: 1.0303413821677423
Energy: 1.0099621025367562
Energy: 1.1200971306094436
Energy: 1.0031532573333213
Energy: 1.1200971306086445
Energy: 1.045145738552646
Energy: 1.1747900598349925
Energy: 1.2029133058579482
Energy: 1.1747900598349925
Energy: 0.9905412146810412
Energy: 1.2314578346149496
Energy: 1.1373747763365516
Energy: 1.2314578346149496
Energy: 1.0451408783462453
Energy: 1.1129986022740301
Energy: 1.0185030019121897
Energy: 1.112998602270833
Energy: 1.0445727031238818
Energy: 1.2717213922493618
Energy: 1.0032926804857145
Energy: 1.271721392242967
Energy: 1.0460327919763486
Energy: 1.1479010781926706
Energy: 1.0038210834961534
Energy: 1.1479010781926706
Energy: 1.0433503010626228
Energy: 1.1429066806843426
Energy: 1.0046856187045834
Energy: 1.1429066806835433
Energy: 0.9680304818687584
Energy: 1.1530182444041592
Energy: 1.0724057017549458
Energy: 1.1530182444073205
Energy: 1.0427732344980274
Energy: 1.1558963081621523
Energy: 1.1444395445243507
Energy: 1.1558963081677476
Energy: 1.140050323173173
Energy: 1.0520555243766434
Energy: 1.0107524887658277
Energy: 1.052055524370249
Energy: 1.260409991542771
Energy: 1.0288976410939397
Energy: 1.0316530231476055
Energy: 1.0288976410883444
Energy: 1.0775878469302997
Energy: 1.1447946887577323
Energy: 1.03771573645328
Energy: 1.1447946887609297
Energy: 0.971066785191882
Energy: 1.15252103207856
Energy: 1.0091124485085
Energy: 1.15252103207856
Energy: 1.0818068830244172
Energy: 1.2182787061874634
Energy: 1.0367878180820393
Energy: 1.2182787061954568
Energy: 0.9611177141229087
Energy: 1.1168911858685135
Energy: 1.0773698895296644
Energy: 1.1168911858653525
Energy: 1.1105584456507613
Energy: 1.1472286878655034
Energy: 1.0616683624469718
Energy: 1.1472286878655034
Energy: 1.2066317315165813
Energy: 1.1019428460794993
Energy: 1.0769911314862872
Energy: 1.1019428460794993
Energy: 1.1106256310512879
Energy: 1.1478857508360776
Energy: 1.1402481756347285
Energy: 1.1478857508416727

minimum gb energy = 0.5193663058850724 eV
minimum distance =  2.33630536586204 Angstroms
sigma value = 29


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

Energy: 1.0384513477912756
Energy: 0.9419230300903564
Energy: 1.18686129608594
Energy: 0.9419230300901088
Energy: 0.9794337933788643
Energy: 1.0306705474492448
Energy: 1.1520607047826399
Energy: 1.0306705464750587
Energy: 0.9268364495631385
Energy: 1.2160724998326038
Energy: 0.9746769117317449
Energy: 1.2160724998317995
Energy: 1.1523597718190028
Energy: 1.0479885774445978
Energy: 1.1519272222636974
Energy: 1.0479885780258302
Energy: 1.0309104657805144
Energy: 1.040888296262865
Energy: 0.9271268515956842
Energy: 1.040888296262865
Energy: 0.9316462021547571
Energy: 1.3370677800472806
Energy: 0.9314155597640627
Energy: 1.3370677800478374
Energy: 0.9272143994148411
Energy: 1.0409604923147293
Energy: 1.0302590092341422
Energy: 1.0409604923139248
Energy: 1.151970881591678
Energy: 1.0475996863124462
Energy: 1.1524151336027593
Energy: 1.0475996863002262
Energy: 0.9789731285773338
Energy: 1.216198439691022
Energy: 0.9268180308162141
Energy: 1.2161984396913004

minimum gb energy = 0.9268180308162141 eV
minimum distance =  2.34848750108599 Angstroms
sigma value = 5


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

Energy: 1.0047905539227817
Energy: 0.9541069062340675
Energy: 1.2218675495360622
Energy: 0.9541069062340675
Energy: 1.172546788060671
Energy: 0.9814411279366202
Energy: 0.9312415548191882
Energy: 0.9814411279358652
Energy: 0.9371202134632263
Energy: 0.9076518558192653
Energy: 1.0933417270020274
Energy: 0.9076518558192653
Energy: 0.8970198455251938
Energy: 1.0148374998661476
Energy: 0.967704494156471
Energy: 1.0148374998669027
Energy: 0.9711617341690889
Energy: 1.0355234464982184
Energy: 1.1200460005732311
Energy: 1.0355234465004834
Energy: 0.8670017516951274
Energy: 0.9505545587400691
Energy: 0.9309955600278746
Energy: 0.9505545587408243
Energy: 0.9361026829472763
Energy: 1.0628865005201673
Energy: 0.9390937728288223
Energy: 1.0628865005201673
Energy: 0.9359045270794918
Energy: 0.949669494097271
Energy: 0.9363134965781901
Energy: 0.949669494097271
Energy: 0.9722274613334859
Energy: 1.0368439326974235
Energy: 0.9068030330319555
Energy: 1.0368439326959136
Energy: 0.9712310851783283
Energy: 1.0367059342042204
Energy: 0.9032372982630701
Energy: 1.0367059342049754
Energy: 0.897691079744063
Energy: 1.0171472771359276
Energy: 0.9384086993331461
Energy: 1.0171472771336623
Energy: 0.9358505781526568
Energy: 0.9549993507658866
Energy: 0.9601072788958499
Energy: 0.9549993507643764
Energy: 0.8640734910148841
Energy: 0.9517806669389006
Energy: 0.9573743159806065
Energy: 0.9517806669389006
Energy: 0.9708637075112784
Energy: 0.9516151192644484
Energy: 1.173225297907361
Energy: 0.9516151192644484
Energy: 1.0701925437870414
Energy: 0.9608306125749545
Energy: 0.9350937563634809
Energy: 0.9608306125749545
Energy: 0.96703229386389
Energy: 0.9086700242086241
Energy: 0.8517610855794959
Energy: 0.9086700242086241
Energy: 1.1751452633164516
Energy: 0.9593441931104895
Energy: 0.9311782978244931
Energy: 0.959344193142957
Energy: 0.9727581214950974
Energy: 0.9521342153201376
Energy: 0.8174903932705397
Energy: 0.9521342153201376
Energy: 0.9562404833440609
Energy: 1.036594820070706
Energy: 0.9322065690038341
Energy: 1.0365948200699513
Energy: 0.936990013623661
Energy: 1.0211097351761438
Energy: 0.9464152211762984
Energy: 1.0211097351753886
Energy: 0.8966277948220606
Energy: 1.0168126259197114
Energy: 0.9686406847646726
Energy: 1.0168126259197114
Energy: 0.9724150914593951
Energy: 1.0356756218692071
Energy: 0.9724841816652057
Energy: 1.0356756218692071
Energy: 0.93317335155267
Energy: 0.9502065181606131
Energy: 0.8966676444747186
Energy: 0.9502065181606131
Energy: 0.956941109615143
Energy: 1.086191651588262
Energy: 0.9369595468582992
Energy: 1.0861916515867518
Energy: 0.9560640472184044
Energy: 0.9774918298614731
Energy: 0.9369864080896056
Energy: 0.9774918298614731
Energy: 0.9666375864360844
Energy: 0.9512008626410164
Energy: 0.972520151071528
Energy: 0.9512008626417715
Energy: 0.9307256943883371
Energy: 0.9469653258021411
Energy: 0.9492933903622448
Energy: 0.9469653258028962
Energy: 0.7891743444370688
Energy: 0.960081782667983
Energy: 0.967355614890758
Energy: 0.9600817826076471
Energy: 0.9355143393223196
Energy: 0.9766924749558978
Energy: 1.2107667510862832
Energy: 0.9766924749702438
Energy: 1.0483196126920067
Energy: 0.9526232779904619
Energy: 0.9726424706477844
Energy: 0.9526232779912169
Energy: 0.9307887627333421
Energy: 0.9379953108678002
Energy: 0.9934472583176363
Energy: 0.9379953108685553
Energy: 1.240163686434063
Energy: 0.9067816661460637
Energy: 0.934955608591431
Energy: 0.9067816661468188
Energy: 0.9680452433071485
Energy: 1.0171404380932556
Energy: 0.8981061957452195
Energy: 1.0171404380932556

minimum gb energy = 0.7891743444370688 eV
minimum distance =  2.3305866927652 Angstroms
sigma value = 1


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

Energy: 1.1086219860694317
Energy: 0.9353841915377891
Energy: 1.158717372421824
Energy: 0.9353841915377891
Energy: 1.02115228269247
Energy: 0.9186440731144283
Energy: 0.9221238467951912
Energy: 0.9186440731175604
Energy: 0.9141454777756789
Energy: 0.9105141921638983
Energy: 1.0598893378564858
Energy: 0.9105141921513703
Energy: 0.8642403375804855
Energy: 0.9910335345936293
Energy: 0.9530889027214899
Energy: 0.9910335345936293
Energy: 0.8684340626896305
Energy: 1.0224075757067834
Energy: 1.2751129579484486
Energy: 1.0224075757078273
Energy: 0.8632452917867238
Energy: 0.9841832160118353
Energy: 0.9533366254867364
Energy: 0.9841832160003515
Energy: 0.8745239520524092
Energy: 1.0640066370745034
Energy: 0.9885066390946725
Energy: 1.0640066370745034
Energy: 0.8825448185558463
Energy: 0.9119021662321406
Energy: 0.8659887328420426
Energy: 0.9119021662310967
Energy: 0.9199788165276328
Energy: 0.935552254647825
Energy: 0.8401395703556392
Energy: 0.9355522546488689
Energy: 0.9197591486425357
Energy: 1.0405643370775162
Energy: 0.8407683870661308
Energy: 1.0405643370900441
Energy: 0.8769766182461965
Energy: 0.9842693465213247
Energy: 0.866730638449796
Energy: 0.9842693465181926
Energy: 0.8806163892955124
Energy: 1.0216925802653045
Energy: 0.9889983847028971
Energy: 1.0216925802621726
Energy: 0.8715138159183334
Energy: 0.9846714512704364
Energy: 0.939520183908484
Energy: 0.9846714512735684
Energy: 0.8672105002225589
Energy: 0.9299909952188695
Energy: 1.1335939341499097
Energy: 0.9299909952293094
Energy: 0.8844085779474844
Energy: 0.9899399257737158
Energy: 0.938660514771752
Energy: 0.9899399257716278
Energy: 0.9142224185001051
Energy: 0.9135325881385219
Energy: 0.9357620252593376
Energy: 0.9135325881374781
Energy: 1.2013896441105512
Energy: 0.9166773035855604
Energy: 0.9188377540435388
Energy: 0.9166773035824285
Energy: 1.1086219860704758
Energy: 0.9353841915377891
Energy: 1.1587173729007794
Energy: 0.935384191540921
Energy: 1.021468255484692
Energy: 0.9186440731144283
Energy: 0.9221238467941473
Energy: 0.9186440731175604
Energy: 0.9141454777746347
Energy: 0.9105141921670302
Energy: 1.075152221738709
Energy: 0.9105141921618102
Energy: 0.8642403375857053
Energy: 0.9910335345936293
Energy: 0.9530889027214899
Energy: 0.9910335345936293
Energy: 0.8684340626927625
Energy: 1.0224075757067834
Energy: 1.291434850109719
Energy: 1.0224075757078273
Energy: 0.8632452917877677
Energy: 0.9841832159878237
Energy: 0.9533366254877803
Energy: 0.9841832159805156
Energy: 0.8745239520524092
Energy: 1.0640066370755474
Energy: 0.8803171388056108
Energy: 1.0640066370745034

minimum gb energy = 0.8401395703556392 eV
minimum distance =  2.33147283320788 Angstroms
sigma value = 17


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

Energy: 0.9879439305513069
Energy: 0.8929188311105071
Energy: 1.1906280661354331
Energy: 0.8929188311085713
Energy: 0.9969615905544
Energy: 0.8947443477567816
Energy: 0.8740941231183477
Energy: 0.8947443477561363
Energy: 0.8747867410412196
Energy: 0.8566609036219812
Energy: 1.0084266699210809
Energy: 0.8566609036226265
Energy: 0.8055279779832465
Energy: 0.8707853642091684
Energy: 0.8718918148948603
Energy: 0.8707853642072325
Energy: 0.8424321001776686
Energy: 0.9557661837849936
Energy: 0.939005295693499
Energy: 0.9557661837830577
Energy: 0.8128884383146912
Energy: 1.15408091688126
Energy: 0.9025462890925858
Energy: 1.1540809168806148
Energy: 0.8731438307906759
Energy: 0.9241214641008848
Energy: 0.8635242906468324
Energy: 0.9241214641015301
Energy: 0.8598506257033875
Energy: 1.1338229011988306
Energy: 0.8431738913114447
Energy: 1.133822901200121
Energy: 0.8599389319838442
Energy: 1.1798866836717026
Energy: 0.8256231404155189
Energy: 1.179886683671057
Energy: 0.861625679973228
Energy: 0.9646487177079743
Energy: 0.8736388613569589
Energy: 0.9646487177008763
Energy: 0.8741302548647594
Energy: 0.9141815973752081
Energy: 0.8412035129721372
Energy: 0.9141815973758534
Energy: 0.8736322076412419
Energy: 0.9582614103538983
Energy: 0.8443496151118995
Energy: 0.9582614103538983
Energy: 0.8115316589369908
Energy: 1.1524738123854117
Energy: 0.8756468603821156
Energy: 1.1524738123092697
Energy: 0.8428995411726463
Energy: 0.9618680176464675
Energy: 0.8995018668029001
Energy: 0.9618680176490485
Energy: 0.8421746248666026
Energy: 1.143722792549422
Energy: 0.8966912956908514
Energy: 1.1437227925513576
Energy: 0.8733697959240864
Energy: 1.1200080288488965
Energy: 0.9616278604049219
Energy: 1.120008028850187
Energy: 0.8547451555032439
Energy: 1.1414802526411447
Energy: 0.8754101759496977
Energy: 1.1414802526411447
Energy: 0.8997251574595176
Energy: 0.8902471897285645
Energy: 0.8157994086807153
Energy: 0.890247189729855
Energy: 1.1565175602314803
Energy: 0.9464777486388698
Energy: 0.8731227644251739
Energy: 0.9464777486401603
Energy: 0.916916249776745
Energy: 0.8566186238764489
Energy: 0.8273743177608871
Energy: 0.8566186238751583
Energy: 0.975974786201768
Energy: 0.8781474150745078
Energy: 0.8718312037390775
Energy: 0.8781474150699909
Energy: 0.8869678012573625
Energy: 1.1582289046116987
Energy: 0.9784301247558438
Energy: 1.158228904609763
Energy: 0.9932927890967125
Energy: 0.90013829324571
Energy: 0.9180553287426789
Energy: 0.9001382931418801
Energy: 0.8731115126394038
Energy: 0.9237807652550273
Energy: 1.043125520749479
Energy: 0.9237807652556725
Energy: 0.7843939812467811
Energy: 0.8917625920189993
Energy: 0.8718289709703817
Energy: 0.8917625920177087
Energy: 0.8892095591753113
Energy: 0.9575242436627961
Energy: 0.8514212660478612
Energy: 0.9575242436653771
Energy: 1.028220850008513
Energy: 0.9520774068636526
Energy: 0.8727289175091744
Energy: 0.9520774068668789
Energy: 0.8970875524217916
Energy: 1.1389987506446764
Energy: 0.8413958909704645
Energy: 1.1389987506440309
Energy: 0.8978159680247356
Energy: 0.9595627834686876
Energy: 0.8423962463581722
Energy: 0.9595627834693328
Energy: 0.8747254622313728
Energy: 1.1517508027202543
Energy: 0.8268395088119578
Energy: 1.1517508027189636
Energy: 0.843288743310151
Energy: 0.9610391945619954
Energy: 0.873962057282386
Energy: 0.961039194563286
Energy: 0.8444590229427053
Energy: 1.122981715461637
Energy: 0.8742926105322494
Energy: 1.1229817154635728
Energy: 0.8741334681202315
Energy: 0.9782223322520562
Energy: 1.0385634322304544
Energy: 0.9782223322520562
Energy: 0.8263668653575411
Energy: 1.171269032455582
Energy: 0.9051797011623293
Energy: 1.1712690324562272
Energy: 0.8449803693965658
Energy: 0.8913732095613228
Energy: 0.8586704416845653
Energy: 0.8913732095600322
Energy: 0.8645842839956913
Energy: 0.9251116943108381
Energy: 0.8732094949431536
Energy: 0.9251116943114833
Energy: 0.9170665676543772
Energy: 0.9000706132643441
Energy: 0.8124050205292447
Energy: 0.9000706132694476
Energy: 1.048856427671359
Energy: 0.9595936429767404
Energy: 0.8892024260841179
Energy: 0.9595936429773857

minimum gb energy = 0.7843939812467811 eV
minimum distance =  2.32770474042568 Angstroms
sigma value = 89


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

Energy: 0.8258265623617793
Energy: 0.7753695990609876
Energy: 0.898636931507473
Energy: 0.775369599062676
Energy: 0.7660440209531896
Energy: 0.8618413107075069
Energy: 0.7815263046473174
Energy: 0.8618413107058186
Energy: 0.7818066800247945
Energy: 1.0053173390066756
Energy: 1.1078063121102306
Energy: 1.0053173390049874
Energy: 0.7138525033340184
Energy: 0.8610922565401795
Energy: 0.7813999949133303
Energy: 0.8610922565418678
Energy: 0.8017155724263215
Energy: 0.8565736713597818
Energy: 0.7523329138425097
Energy: 0.8565736713597818
Energy: 0.7982190473388204
Energy: 0.7775325609026589
Energy: 0.7792059094245515
Energy: 0.7775325609026589
Energy: 0.7847972280828218
Energy: 1.006182891871397
Energy: 0.7854553137108828
Energy: 1.006182891871397
Energy: 0.6285891548373483
Energy: 1.0032128159396119
Energy: 0.7824542752414644
Energy: 1.0032128159345468
Energy: 0.8024882743026378
Energy: 0.856854485990374
Energy: 0.6598800847435081
Energy: 0.856854485990374
Energy: 0.8352879864157184
Energy: 0.8522854577033102
Energy: 0.7801096870324189
Energy: 0.8522854577843131
Energy: 0.7850022222638312
Energy: 0.8641434479278196
Energy: 0.7750696123317213
Energy: 0.8641434479278196
Energy: 0.7874687318831058
Energy: 1.0127094664698828
Energy: 0.7818769329341194
Energy: 1.0127094664715712
Energy: 0.8040176719234386
Energy: 0.7798757282022719
Energy: 0.7047054379055736
Energy: 0.7798757282022719
Energy: 0.781349720552939
Energy: 0.8591427843274594
Energy: 0.7822097450704693
Energy: 0.8591427843274594
Energy: 0.6413282562478779
Energy: 0.779840459481967
Energy: 0.8045198125893605
Energy: 0.779840459481967

minimum gb energy = 0.6285891548373483 eV
minimum distance =  2.33090149930312 Angstroms
sigma value = 13


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

Energy: 0.8031712644312324
Energy: 0.7070173034728363
Energy: 0.3994111562833764
Energy: 0.7070173034990196
Energy: 0.9251310270589682
Energy: 0.7601122911395746
Energy: 0.6605821839216114
Energy: 0.7601122911416975
Energy: 0.7323089632706101
Energy: 0.7098188182957172
Energy: 0.6933976384180203
Energy: 0.7098188182985479
Energy: 0.688828804180873
Energy: 0.7604546509152478
Energy: 0.6673009788606457
Energy: 0.760454650912417
Energy: 0.7276336574173949
Energy: 0.7657182861492456
Energy: 1.0173452533222036
Energy: 0.765718286146415
Energy: 0.6268628520323409
Energy: 0.7606397343542831
Energy: 0.7094008914849319
Energy: 0.7606397343719743
Energy: 0.7279607747332618
Energy: 0.7992319025948442
Energy: 1.2318915588994188
Energy: 0.7992319025955519
Energy: 0.587692794246256
Energy: 0.7621265350570577
Energy: 0.7085660447299139
Energy: 0.7621265350584729
Energy: 0.7280606778639999
Energy: 0.7995570767827656
Energy: 1.0303669547876197
Energy: 0.7995570767799348
Energy: 0.8477882917299481
Energy: 0.8211858696268379
Energy: 0.6759611923974096
Energy: 0.8211858696629282
Energy: 0.7244081071472261
Energy: 0.8153210682612761
Energy: 0.5869199751106071
Energy: 0.8153210682584454
Energy: 1.0642520476894348
Energy: 0.8176047758051279
Energy: 0.6699131817805151
Energy: 0.8176047758150351
Energy: 0.7595746466520972
Energy: 0.7358935914003606
Energy: 0.5857800888131772
Energy: 0.7358935914031913
Energy: 1.0887618444077913
Energy: 0.8181062918253027
Energy: 0.6670427275314526
Energy: 0.8181062918139803
Energy: 0.7248396408731494
Energy: 0.7100002180725152
Energy: 0.5842506487522592
Energy: 0.7100002180767611
Energy: 0.6615982015192791
Energy: 0.8165465818506786
Energy: 0.6874380967891113
Energy: 0.8165465818620011
Energy: 0.6588619359626624
Energy: 0.7109852592625273
Energy: 0.6737744783478264
Energy: 0.7109852592660655
Energy: 0.6593195942203824
Energy: 0.8001945980498073
Energy: 0.7147004145573922
Energy: 0.8001945980526379
Energy: 0.6595167435948647
Energy: 0.8003488569124306
Energy: 0.714841623037077
Energy: 0.8003488569053541
Energy: 0.6600257277150572
Energy: 0.8004367696685193
Energy: 0.7149450085204695
Energy: 0.8004367696600274
Energy: 0.6593027200207063
Energy: 0.7999728909991065
Energy: 0.7143381232898107
Energy: 0.7999728909969837
Energy: 0.6593502451214907
Energy: 0.712749669371442
Energy: 0.6746665437761918
Energy: 0.7127496691726555
Energy: 0.660823548933002
Energy: 0.8161565772364429
Energy: 0.6868969454318525
Energy: 0.8161565772272433
Energy: 0.724379121987803
Energy: 0.710605248963368
Energy: 0.5854581039389196
Energy: 0.7106052489598298
Energy: 1.0893760962421468
Energy: 0.8189560080420756
Energy: 0.6675673664686461
Energy: 0.8189560080385372
Energy: 0.7605962351601048
Energy: 0.7361897923234951
Energy: 0.5858675511946406
Energy: 0.7361897923256181
Energy: 1.0636250681386794
Energy: 0.8187023747655393
Energy: 0.663104931500677
Energy: 0.8187023747641241
Energy: 0.7245497690926338
Energy: 0.815056252647002
Energy: 0.5877387994765427
Energy: 0.8150562526385101
Energy: 0.848392543033129
Energy: 0.8218002154702121
Energy: 0.6765453308878191
Energy: 0.8218002154695044
Energy: 0.7280053088767962
Energy: 0.7993083881186803
Energy: 1.0299916650042868
Energy: 0.7993083881200955
Energy: 0.5916669177749493
Energy: 0.7668424223710675
Energy: 0.7090217354826769
Energy: 0.7668424223604527
Energy: 0.727267739261508
Energy: 0.8052517197403584
Energy: 1.2319683742672072
Energy: 0.8052517197658339
Energy: 0.6262026995896635
Energy: 0.7618600552996891
Energy: 0.7090279329263616
Energy: 0.7618600553350076
Energy: 0.727326001523639
Energy: 0.7663336215477657
Energy: 1.016801141051987
Energy: 0.7663336215555498
Energy: 0.6873375123306626
Energy: 0.760944999829489
Energy: 0.6671992058315541
Energy: 0.7609449998372735

minimum gb energy = 0.3994111562833764 eV
minimum distance =  2.32493755753965 Angstroms
sigma value = 37


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

Energy: 0.7179009809290299
Energy: 0.7152857216540373
Energy: 0.14132203557035106
Energy: 0.7152857216540373
Energy: 0.6398634944096927
Energy: 0.7088547168190232
Energy: 0.5489727805354369
Energy: 0.7088547168202407
Energy: 0.6105270304202325
Energy: 0.7953209436258789
Energy: 0.748431831122216
Energy: 0.7953209436270964
Energy: 0.5615393124072913
Energy: 0.6970625874527061
Energy: 0.5486619432502067
Energy: 0.6970625874539236
Energy: 0.6047230679496248
Energy: 0.7074636896929605
Energy: 0.8447763084474535
Energy: 0.7074636896929605
Energy: 0.47625979532797247
Energy: 0.7065527887664697
Energy: 0.6117644293077834
Energy: 0.7065527887664697
Energy: 0.5580373056505943
Energy: 0.7652858451824748
Energy: 0.9461967402185268
Energy: 0.7652858451824748
Energy: 0.5523157422664101
Energy: 0.713406697130622
Energy: 0.7214297914961054
Energy: 0.7134066971318395
Energy: 0.6036956480091333
Energy: 0.7098879374676326
Energy: 0.9412557671494414
Energy: 0.7098879374664151
Energy: 0.7269265161159666
Energy: 0.7890618659219778
Energy: 0.5587215119284185
Energy: 0.7890618659231953
Energy: 0.5926600404301933
Energy: 0.7645744271287966
Energy: 0.5690340961797038
Energy: 0.7645744271275792
Energy: 0.9510913599245306
Energy: 0.7100733085618424
Energy: 0.6047325100081438
Energy: 0.7100733085618424
Energy: 0.602342092016193
Energy: 0.7107136879032898
Energy: 0.48333685516690716
Energy: 0.7107136879020722
Energy: 0.9490315094255366
Energy: 0.7657857908375197
Energy: 0.5569797227669084
Energy: 0.7657857908375197
Energy: 0.7205554129754357
Energy: 0.7702162726310005
Energy: 0.5563259795318095
Energy: 0.770216272629783
Energy: 0.6864052916221587
Energy: 0.6984160298125984
Energy: 0.6036539371774434
Energy: 0.698416029811381
Energy: 0.6034393742094106
Energy: 0.7891520623321768
Energy: 0.37634748267573276
Energy: 0.7891520623321768
Energy: 0.5743257810126011
Energy: 0.7585549521060985
Energy: 0.5578740430931088
Energy: 0.7585549521024462
Energy: 0.5531349135160252
Energy: 0.6996210781075511
Energy: 0.5557472974496019
Energy: 0.6996210781075511
Energy: 0.5769061798145347
Energy: 0.7035622349155713
Energy: 0.5897431062214324
Energy: 0.7035622349155713

minimum gb energy = 0.14132203557035106 eV
minimum distance =  2.3580015260119 Angstroms
sigma value = 25


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

Energy: 0.7687262936639089
Energy: 0.5417264004105309
Energy: -0.131937944522995
Energy: 0.5417264004143337
Energy: 1.1346382754377127
Energy: 0.5708676723462209
Energy: 0.5665547224722681
Energy: 0.5708676719832251
Energy: 0.6955806787276241
Energy: 0.5612960219928453
Energy: 0.5037836035116242
Energy: 0.5612960219928453
Energy: 0.8497504273173837
Energy: 0.6026246267312546
Energy: 0.571888178334619
Energy: 0.6026246267312546
Energy: 0.5760361335954459
Energy: 0.5672338032693124
Energy: 0.5110997929062663
Energy: 0.5672338032712138
Energy: 0.5432339755985369
Energy: 0.5479101213865898
Energy: 0.5539229995649019
Energy: 0.5479101212383666
Energy: 0.5507966585111082
Energy: 0.5320933902185823
Energy: 0.8586196325378798
Energy: 0.5320933902204837
Energy: 0.31442030924419345
Energy: 0.622826848460216
Energy: 0.7180561789278324
Energy: 0.6228268484117302
Energy: 0.5679782164339273
Energy: 0.5837043121723893
Energy: 1.0111964331499785
Energy: 0.5837043121752413
Energy: 0.41094809300127394
Energy: 0.5346529414786646
Energy: 0.640614391670928
Energy: 0.5346529414777138
Energy: 0.524171089244112
Energy: 0.5330465290482093
Energy: 1.0044982042660437
Energy: 0.5330465290444064
Energy: 0.5060326744778064
Energy: 0.6016065318366554
Energy: 0.7184261807452371
Energy: 0.6016065318404582
Energy: 0.5696457875892501
Energy: 0.6036076725751455
Energy: 0.4854464083520369
Energy: 0.6036076725751455
Energy: 0.7404709607219354
Energy: 0.5812672069199785
Energy: 0.5546832299831367
Energy: 0.581267206886747
Energy: 0.5508893383107079
Energy: 0.534742320743386
Energy: 0.5576116605233179
Energy: 0.5347423207443367
Energy: 0.8675505002262699
Energy: 0.6998294248009742
Energy: 0.5432843583948654
Energy: 0.6998294248104813
Energy: 0.6754884294756635
Energy: 0.6227566339704256
Energy: 0.3406761948146852
Energy: 0.6227566339694748
Energy: 0.9694520915251684
Energy: 0.5766687797375902
Energy: 0.5562547492357771
Energy: 0.576668779738541
Energy: 0.784903543364824
Energy: 0.5473464828766407
Energy: 0.3825830353051385
Energy: 0.5473464828747393
Energy: 1.1444126655542086
Energy: 0.7029384347685244
Energy: 0.5432605850880218
Energy: 0.7029384347704257
Energy: 0.7052074183351307
Energy: 0.684752844906586
Energy: 0.2756089860422466
Energy: 0.6847528449046844
Energy: 0.6716912073102282
Energy: 0.6042030839013746
Energy: 0.5333550993834284
Energy: 0.604203083903276
Energy: 0.5509254268819764
Energy: 0.5875062217879147
Energy: 0.7394149376187868
Energy: 0.5875062217860133
Energy: 0.5578223663092549
Energy: 0.7026427930576168
Energy: 0.5365003370741724
Energy: 0.702642793060469
Energy: 0.53813120253295
Energy: 0.6046794832694546
Energy: 0.878409249099076
Energy: 0.6046794832732573
Energy: 0.4380732883224144
Energy: 0.6235976707642841
Energy: 0.7000436078982271
Energy: 0.6235976707671361

minimum gb energy = -0.131937944522995 eV
minimum distance =  2.36281997865974 Angstroms
sigma value = 41


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

Energy: 0.9232637831968563
Energy: 0.49134118255091236
Energy: -0.7329257474058988
Energy: 0.49134118255091236
Energy: 1.199617432149378
Energy: 0.46478729621872017
Energy: 0.4631029125208821
Energy: 0.4647872962194996
Energy: 0.5170610818812463
Energy: 0.42977455236246315
Energy: 0.2257823307813885
Energy: 0.4297745523632427
Energy: 0.7103980358613314
Energy: 0.45694145281913584
Energy: 0.462467757333084
Energy: 0.45694145281913584
Energy: 0.4660328642147162
Energy: 0.5227889418278172
Energy: 0.3648275379918937
Energy: 0.5227889418278172
Energy: 0.5006821645426693
Energy: 0.4594612245838356
Energy: 0.46233243100985766
Energy: 0.45946122453940863
Energy: 0.463237251491509
Energy: 0.44900650781765294
Energy: 0.5146200651187576
Energy: 0.4490065078184324
Energy: 0.2588575462955842
Energy: 0.489599980009985
Energy: 0.46438639309801133
Energy: 0.48959998001154387
Energy: 0.4614508040115518
Energy: 0.48349970408270504
Energy: 0.8582358123229833
Energy: 0.48349970408270504
Energy: 0.15064342104972409
Energy: 0.41440810922843646
Energy: 0.5173161287476538
Energy: 0.41440810922921595
Energy: 0.46452389403149846
Energy: 0.44659956995411976
Energy: 1.0159251102987799
Energy: 0.44659956995256084
Energy: 0.24610810640753256
Energy: 0.49079926930473344
Energy: 0.9383348674366163
Energy: 0.49079926930629225
Energy: 0.46094755877260385
Energy: 0.8047816821703057
Energy: 0.41723091027502524
Energy: 0.8047816821718644
Energy: 0.07618256669249136
Energy: 0.5335267675027198
Energy: 0.5171146171266983
Energy: 0.5335267675027198
Energy: 0.4651946324294775
Energy: 0.4632901888701714
Energy: 0.7116344922205294
Energy: 0.4632901888709508
Energy: 0.5167757185607378
Energy: 0.4867403632004012
Energy: 0.465513235856777
Energy: 0.48674036319650404
Energy: 0.4614343637225072
Energy: 0.8030764775207836
Energy: 0.5699845079458021
Energy: 0.8030764775200041
Energy: 0.5140809165961282
Energy: 0.531829793154494
Energy: 0.4625424101931087
Energy: 0.5318297931560527
Energy: 0.4644974882617068
Energy: 0.49439423622940826
Energy: 0.2607706825680765
Energy: 0.4943942362286288
Energy: 0.6136519754908499
Energy: 0.482674768223716
Energy: 0.4092419242812909
Energy: 0.482674768223716
Energy: 0.5172181029061935
Energy: 0.8066854415483481
Energy: 0.10448173524637805
Energy: 0.8066854415467891
Energy: 0.9905105133057975
Energy: 0.831063916400529
Energy: 0.4631407564010337
Energy: 0.831063916400529
Energy: 0.9381594044824855
Energy: 0.489221244265556
Energy: 0.16944937327728632
Energy: 0.4892212442663354
Energy: 0.8449050414536987
Energy: 0.8049999711828395
Energy: 0.4081143244761182
Energy: 0.8049999711859571
Energy: 0.5178185493616851
Energy: 0.5446187424069088
Energy: -0.1920401207104988
Energy: 0.5446187424333736
Energy: 0.7305690966361114
Energy: 1.1252866625804625
Energy: 0.4635952298623864
Energy: 1.1252866625796833
Energy: 0.46518413520608676
Energy: 0.4893215152897897
Energy: 0.5208648753906877
Energy: 0.48932151529134854
Energy: 0.3587301961792205
Energy: 0.8022958451037814
Energy: 0.39254306967038655
Energy: 0.8022958451045609
Energy: 0.4205811154555994
Energy: 0.5428353737804577
Energy: 0.5208808442187672
Energy: 0.5428353737796782
Energy: 0.2686834158543697
Energy: 0.8585151651139741
Energy: 0.3690043392867469
Energy: 0.8585151651131947
Energy: 0.4053145802767278
Energy: 0.4829792154735528
Energy: 0.6445222937723206
Energy: 0.4829792154743322
Energy: 0.26494394449372277
Energy: 0.8038401425290899
Energy: 0.517970927676173
Energy: 0.8038401425275311

minimum gb energy = -0.7329257474058988 eV
minimum distance =  2.28018144119275 Angstroms
sigma value = 15


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

Energy: 0.770265728069107
Energy: 0.32280591766852573
Energy: -0.7387272997193545
Energy: 0.32280591777873224
Energy: 1.1709580849598042
Energy: 0.37919498728230316
Energy: 0.4305587224531341
Energy: 0.37919498728362366
Energy: 0.4718580108735983
Energy: 0.3886001613229154
Energy: -0.1964833316050813
Energy: 0.3886001613235757
Energy: 0.7338021442830681
Energy: 0.3909321393585347
Energy: 0.43109370431224864
Energy: 0.39093213935787446
Energy: 0.4320211546446118
Energy: 0.6750184913966222
Energy: 0.06824478588146361
Energy: 0.6750184913906797
Energy: 0.4794494256618824
Energy: 0.3839159270692392
Energy: 0.4311617059743618
Energy: 0.3839159270692392
Energy: 0.4318518964421735
Energy: 0.41947898471812245
Energy: 0.3627585595245117
Energy: 0.41947898472670603
Energy: 0.25714188730344495
Energy: 0.4193390404939931
Energy: 0.43205037620788167
Energy: 0.4193390404827684
Energy: 0.43114154186189096
Energy: 0.40817189679310517
Energy: 0.4254027737999368
Energy: 0.40817189679112437
Energy: 0.05604031219984872
Energy: 0.38692909853439145
Energy: 0.43172644236218805
Energy: 0.3869290970533858
Energy: 0.4330111338252752
Energy: 0.38554525001698964
Energy: 0.8574422009649301
Energy: 0.3855452500163294
Energy: -0.2690454625467645
Energy: 0.38997925191571653
Energy: 0.4728031879989699
Energy: 0.389979251914396
Energy: 0.43186429244880614
Energy: 0.39396237512205623
Energy: 0.626054935075952
Energy: 0.3939623751075301
Energy: 0.05158659926034312
Energy: 0.36565776896241164
Energy: 0.8323736250791589
Energy: 0.3656577688099472
Energy: 0.43175026021661717
Energy: 0.37972430643234695
Energy: 1.0284880942330559
Energy: 0.37972415803387866
Energy: -0.29306829838774656
Energy: 0.38801023759428493
Energy: 0.4721482757706232
Energy: 0.3880102375956055
Energy: 0.4324030240803654
Energy: 0.4016720931421574
Energy: 0.7695629314422274
Energy: 0.40167209313687513
Energy: 0.37599597592789397
Energy: 0.6256012015567742
Energy: 0.43191640862093644
Energy: 0.6256012015580947
Energy: 0.4322212410909136
Energy: 0.3818429606606166
Energy: 0.49044839124555495
Energy: 0.38184296065797557
Energy: 0.3619246983886206
Energy: 0.38756879407587935
Energy: 0.43199685725841297
Energy: 0.3875687940785204
Energy: 0.432620916303381
Energy: 0.4415988022582585
Energy: 0.33573907917143486
Energy: 0.4415988022496748
Energy: 0.46330503882422525
Energy: 0.41600132596749495
Energy: 0.4316066783014299
Energy: 0.41600132599126505
Energy: 0.4323178758769208
Energy: 0.3825099842067342
Energy: -0.011754437184658257
Energy: 0.38250998421861926
Energy: 0.7520884374686997
Energy: 0.38688562634843937
Energy: 0.4323360927673623
Energy: 0.38688562634249685
Energy: 0.47191691950320147
Energy: 0.4410026480283435
Energy: -0.72883411185726
Energy: 0.44100264832336805
Energy: 0.9099834743170693
Energy: 0.3998748371160038
Energy: 0.4317474360543199
Energy: 0.399874837114023
Energy: 0.8313680330558677
Energy: 0.3970893389496088
Energy: 0.14445748597930078
Energy: 0.3970893397917645
Energy: 1.0386906586002942
Energy: 0.382926852088279
Energy: 0.4320423015987066
Energy: 0.38292685212057265
Energy: 0.4725405685848277
Energy: 0.7331615217205367
Energy: -0.31964285437263473
Energy: 0.7331615223521235
Energy: 0.6466050264022183
Energy: 0.4146561698514702
Energy: 0.43157151480247496
Energy: 0.4146561698514702
Energy: 0.4334558899746829
Energy: 0.6934559349312112
Energy: 0.38625485974832396
Energy: 0.6934559349331919
Energy: 0.49525870931585775
Energy: 0.3789154892605732
Energy: 0.4323148193685932
Energy: 0.3789154892731186
Energy: 0.4322575390520018
Energy: 0.7330337724476278
Energy: 0.36086723280530636
Energy: 0.7330337724509292
Energy: 0.25722429083719267
Energy: 0.4421142668212783
Energy: 0.4320994187833057
Energy: 0.44211426681995775
Energy: 0.3894663555543278
Energy: 0.43889254174874276
Energy: 0.4649961934766
Energy: 0.4388925412418886
Energy: 0.15482739809542026
Energy: 0.37909325754204315
Energy: 0.4319568040284182
Energy: 0.37909325754732537
Energy: 0.4324377034798011
Energy: 0.7325336427676366
Energy: 0.779315121780805
Energy: 0.732533642770938

minimum gb energy = -0.7387272997193545 eV
minimum distance =  2.27481528643376 Angstroms
sigma value = 85


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

Energy: 0.8606946435997714
Energy: 0.4383039929594621
Energy: -0.3174588840926342
Energy: 0.43830399295545347
Energy: 0.8196864298417919
Energy: 0.4341586402327026
Energy: 0.30223795281826205
Energy: 0.434158640230412
Energy: 0.7359118343201617
Energy: 0.4501263779209943
Energy: -0.09282139211644305
Energy: 0.4501263779381481
Energy: 0.5355177900780556
Energy: 0.4339269902996478
Energy: 0.3033511211121719
Energy: 0.4339269902973572
Energy: 0.5238858820769806
Energy: 0.3786202333286763
Energy: -0.10987792727893837
Energy: 0.37862023332810363
Energy: 0.47557237207673214
Energy: 0.44914137607608884
Energy: 0.34892877923442317
Energy: 0.44914137612359367
Energy: 0.4348225772608964
Energy: 0.463380457493156
Energy: 0.1272658217997907
Energy: 0.463380457493156
Energy: 0.339872924511704
Energy: 0.4337864653390477
Energy: 0.37732901871173624
Energy: 0.43378646533790244
Energy: 0.37835456490091385
Energy: 0.40331469030244677
Energy: 0.37047656408116275
Energy: 0.4033146903030194
Energy: 0.10930024123482554
Energy: 0.4508576627545433
Energy: 0.4355247682470652
Energy: 0.45085766275168
Energy: 0.3073496925188326
Energy: 0.4340596925004799
Energy: 0.49268745337287195
Energy: 0.4340596925726092
Energy: -0.1061525481713781
Energy: 0.4335858140636269
Energy: 0.5247124958666551
Energy: 0.4335858140590456
Energy: 0.29926522511664444
Energy: 0.4035058823693271
Energy: 0.6156557585839538
Energy: 0.40350588236760915
Energy: -0.2530357001430145
Energy: 0.44899752116387553
Energy: 0.7199666066994461
Energy: 0.4489975211054901
Energy: 0.30824859559786844
Energy: 0.43427359133376475
Energy: 0.8921036349922739
Energy: 0.43427359133204674
Energy: -0.19468381243094504
Energy: 0.4343336816653478
Energy: 0.782163232243628
Energy: 0.43433368166191194
Energy: 0.30593457327082585
Energy: 0.4042536565874645
Energy: 0.7889914526931234
Energy: 0.40425365658689183
Energy: -0.12741768152877578
Energy: 0.44875100829045955
Energy: 0.7182234216704085
Energy: 0.44875100829045955
Energy: 0.3086250416173902
Energy: 0.4342908371534146
Energy: 0.6736417026839708
Energy: 0.4342908371562779
Energy: 0.0004189487185102961
Energy: 0.667244952627101
Energy: 0.5240579895084365
Energy: 0.6672449524393463
Energy: 0.353789239778625
Energy: 0.4214728760828272
Energy: 0.4938412902967315
Energy: 0.4214728760828272
Energy: 0.11644261286523881
Energy: 0.4343295158577902
Energy: 0.43761091915067923
Energy: 0.43432951586065355
Energy: 0.37655193216541855
Energy: 0.43452024265120087
Energy: 0.33339051987083174
Energy: 0.43452024266379946
Energy: 0.46365221147183067
Energy: 0.46159020709450865
Energy: 0.37830389794977276
Energy: 0.46159020709336335
Energy: 0.4381554126303805
Energy: 0.43702462022984184
Energy: 0.19642152426681864
Energy: 0.43702462022984184
Energy: 0.4840322924584036
Energy: 0.4346111424062007
Energy: 0.3018749206946077
Energy: 0.43461114240562804
Energy: 0.5236830186557606
Energy: 0.43395561327826915
Energy: -0.1717249667182366
Energy: 0.4339556132765512
Energy: 0.7788372164771906
Energy: 0.46150881744877004
Energy: 0.30439512467788954
Energy: 0.461508817450488
Energy: 0.7181836913396153
Energy: 0.44898331686401816
Energy: -0.15133044433665757
Energy: 0.44898331686459086
Energy: 0.852035515346461
Energy: 0.4344605334733121
Energy: 0.3050909728661837
Energy: 0.4344605334893205
Energy: 0.8604278519895839
Energy: 0.4461531802833275
Energy: -0.1874249625448882
Energy: 0.44615318028390016
Energy: 1.0212590650301656
Energy: 0.46130231831450663
Energy: 0.3058012209640664
Energy: 0.46130231828589957
Energy: 0.7165030566241223
Energy: 0.4490330967694566
Energy: -0.3649849027336385
Energy: 0.44903309676544795
Energy: 0.6354680781795717
Energy: 0.43449147591715387
Energy: 0.3007659160411238
Energy: 0.43449147594635956
Energy: 0.5242664771497145
Energy: 0.4245408801961302
Energy: -0.00028035096283062557
Energy: 0.42454096593695284
Energy: 0.5708583678693491
Energy: 0.47372593985784817
Energy: 0.3491423013759025
Energy: 0.47372593985498485
Energy: 0.4415338437830285
Energy: 0.4351127310085139
Energy: 0.11981190458043556
Energy: 0.4351127310262403
Energy: 0.3265885029375168
Energy: 0.4345878750434261
Energy: 0.37651129235856867
Energy: 0.4345878750451441
Energy: 0.37597550715314654
Energy: 0.6677641171395062
Energy: 0.4654703073597884
Energy: 0.6677641171463521
Energy: 0.2782872705845629
Energy: 0.4845920947447639
Energy: 0.4342141740683567
Energy: 0.4845920947791235
Energy: 0.29955131295360493
Energy: 0.4347496321708316
Energy: 0.49724425140298667
Energy: 0.43474963211931816
Energy: 0.05631222191214019
Energy: 0.43431743138826534
Energy: 0.5240227079465205
Energy: 0.4343174313894107
Energy: 0.3014747065902612
Energy: 0.6662824328583057
Energy: 0.806359479978995
Energy: 0.6662824328554424

minimum gb energy = -0.3649849027336385 eV
minimum distance =  2.2789607691329 Angstroms
sigma value = 113


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

Energy: 0.018205587065473653
Energy: 0.018950691650553415
Energy: 0.6307043819023984
Energy: 0.018950691649281634
Energy: 0.6393945859966886
Energy: -3.6538036135626757
Energy: -3.652849135314264
Energy: -3.6538036135622356
Energy: 0.018205587065473653
Energy: 0.018950691650553415
Energy: 0.6307043819041593
Energy: 0.0189506916488414
Energy: 0.6393945859958571
Energy: -3.6538036135631162
Energy: -3.6528491353133834
Energy: -3.6538036135622356
Energy: 0.018205587065473653
Energy: 0.018950691650553415
Energy: 0.6307043819023984
Energy: 0.018950691649281634
Energy: 0.6393945859962484
Energy: -3.6538036135631162
Energy: -3.652849135315976
Energy: -3.6538036135622356

minimum gb energy = -3.6538036135631162 eV
minimum distance =  2.46608290016784 Angstroms
sigma value = 1