Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
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=3.658099144697189
cohesive_energy=3.753663665727904
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: -0.141421623913241 eV

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

Energy: 0.014158358345070569
Energy: 0.014728256500591086
Energy: 0.014534240835820875
Energy: 0.014728256499400069
Energy: 0.014728256500012592
Energy: 1.0871120629691655
Energy: 0.014728256500012592
Energy: 1.0871120629697781
Energy: 0.014534240823264134
Energy: 0.014728256500012592
Energy: 0.014158358345070569
Energy: 0.014728256500012592
Energy: 0.014728256499400069
Energy: 1.0871120629691655
Energy: 0.014728256499400069
Energy: 1.0871120629691655

minimum gb energy = 0.014158358345070569 eV
minimum distance =  2.4979042689767 Angstroms
sigma value = 1


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

Energy: -2.728752437373987
Energy: 0.7356774567543877
Energy: 0.24754836726344412
Energy: 0.7356774567529021
Energy: -2.3929625171751048
Energy: -2.2070368914295124
Energy: -2.6504996533170337
Energy: -2.2070364736059522
Energy: -2.0162619098852193
Energy: 0.7089487851993799
Energy: -2.406997855956212
Energy: 0.7089487852008657
Energy: -2.1219897482900434
Energy: 0.6742657941483844
Energy: -2.342680553562049
Energy: 0.6742657941491272
Energy: -2.228302561674993
Energy: 0.7266545696350261
Energy: -2.1801083683868567
Energy: 0.7266545696387404
Energy: -2.365069457100519
Energy: 0.9023932957193684
Energy: -2.014265515710892
Energy: 0.9023932957178828
Energy: -2.389949101656955
Energy: 0.6970961185180587
Energy: -2.431961208602935
Energy: 0.6970961185210303
Energy: -2.172246283378102
Energy: 0.7294604279035635
Energy: 0.32855345892069415
Energy: 0.7294604279013349
Energy: -2.26200732522878
Energy: -1.9223713785354213
Energy: -2.131346548006442
Energy: -2.0012830205741787
Energy: -2.061910481214444
Energy: 0.7145183188406137
Energy: 0.2498462553266567
Energy: 0.714518318838385
Energy: -2.6461638849097744
Energy: 0.616334495016444
Energy: -2.4189958848823125
Energy: 0.6163344950677013
Energy: 0.2895974718144572
Energy: 0.7353350085678257
Energy: -2.2686535320934453
Energy: 0.7353350085685686
Energy: -2.4043682854201003
Energy: 0.7055787110950967
Energy: -2.311606300934279
Energy: 0.7055787110943539
Energy: -2.3013894034103655
Energy: 0.7127290155753218
Energy: -2.104708813672517
Energy: 0.7127290155782933
Energy: -2.192654856297863
Energy: 0.7338638709221407
Energy: -2.7497164386699544
Energy: 0.7338638709161979
Energy: -2.08418305427536
Energy: 0.7193366964879424
Energy: -2.3823325680829632
Energy: 0.7193366964886853
Energy: -2.296002385831241
Energy: 0.7116373234911813
Energy: -1.8528192986078544
Energy: 0.7116373234941525
Energy: -2.4206906873154623
Energy: 0.6359679661885821
Energy: -2.5651327757270415
Energy: 0.635967966194525
Energy: -1.6386334046603657
Energy: 0.7355117301721379
Energy: -2.444437000685128
Energy: 0.7355117301721379
Energy: -2.595918468996464
Energy: -2.172826922646864
Energy: -2.487050178473972
Energy: -2.06356616592386
Energy: -1.9653924005288035
Energy: 0.7096136191690358
Energy: -1.912900266756254
Energy: 0.7096136191697786
Energy: -2.4917343908005742
Energy: -2.4984369067092342
Energy: -2.262288756072535
Energy: -2.336303608569457
Energy: -2.3170061866175664
Energy: 0.7269663736538359
Energy: -2.156488638521482
Energy: 0.7269663736545787
Energy: -2.1064831820661865
Energy: 0.7054530355679717
Energy: -2.5266399134471644
Energy: 0.7054530355687146
Energy: -2.447755081154774
Energy: 0.9053312438988155
Energy: -2.493670903296573
Energy: 0.9053312438980726
Energy: -2.1626707474548317
Energy: 0.7347211468813041
Energy: -2.166539606760048
Energy: 0.7347211468865041
Energy: -2.130290473864483
Energy: 0.899797968210133
Energy: -2.528558550294898
Energy: 0.899797968210133
Energy: 0.23203045975113384
Energy: 0.7134821563352542
Energy: -2.4460020926987256
Energy: 0.713482156330797
Energy: -2.3761150812793215
Energy: -2.0539177267159214
Energy: -1.9816787677212537
Energy: -2.28301233237078
Energy: -2.552564598277428
Energy: 0.7360889001753312
Energy: -1.9008209845046802
Energy: 0.7360889001760741
Energy: -2.393361277405496
Energy: 0.7134201929338508
Energy: -2.5524736926618665
Energy: 0.7134201929368224
Energy: -2.1714100728326464
Energy: 0.703848682643402
Energy: -2.4218980142641406
Energy: 0.7038486826441449
Energy: -2.1160893779716026
Energy: 0.7415854987516337
Energy: -2.586444047324451
Energy: 0.7415854987575767

minimum gb energy = -2.7497164386699544 eV
minimum distance =  2.23899833587352 Angstroms
sigma value = 1


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

Energy: -1.8357563141085318
Energy: 0.8113826731839393
Energy: -1.4619561531983896
Energy: 0.8113826731873273
Energy: -1.534629233071577
Energy: 0.7316075983750232
Energy: -1.7860430001776755
Energy: 0.7316075983707883
Energy: 0.3213452818637446
Energy: 0.8135002442882634
Energy: -1.7629183696019046
Energy: 0.8135002442908043
Energy: -1.7016593486645073
Energy: 0.7708156368621761
Energy: -1.737766807983216
Energy: 0.7708156368477773
Energy: -1.6612176021752068
Energy: 0.780837952771096
Energy: -1.6346434695381435
Energy: 0.780837952768555
Energy: -1.7044085982741737
Energy: 0.7805141656173378
Energy: -1.6054775564264876
Energy: 0.7805141656198786
Energy: -1.6737883626453034
Energy: -1.7875914661509642
Energy: -1.6914307092756034
Energy: -1.652468930749415
Energy: 0.30724106332919876
Energy: 0.8134496905155156
Energy: -1.5208160853168984
Energy: 0.8134496905222917
Energy: -1.558090777018394
Energy: 0.8990842680974412
Energy: -1.7014296490976002
Energy: 0.8990842680915124
Energy: -1.5802967210386496
Energy: 0.8132453133760499
Energy: 0.32093578217989305
Energy: 0.8132453133760499
Energy: -1.6158171252788347
Energy: -1.427344603504696
Energy: -1.8191822002080436
Energy: -1.6012395873630392
Energy: -1.5281056276302667
Energy: 0.7964340874033088
Energy: -1.7158813481155066
Energy: 0.7964340874033088
Energy: -1.9330118772068798
Energy: 0.7837910878915721
Energy: -1.559133629885803
Energy: 0.783791087897501
Energy: -2.0886013345254484
Energy: 0.7833350112226822
Energy: -1.7045785742905155
Energy: 0.7833350112184474
Energy: -1.5191462379852727
Energy: 0.7972261032738265
Energy: -1.842757296003548
Energy: 0.7972261032712855
Energy: -1.665087519360835
Energy: 0.7183193655471819
Energy: -1.8811134595479255
Energy: 0.718319365546335
Energy: -1.5983399920705992
Energy: 0.813751818043039
Energy: -1.2811429374402823
Energy: 0.8137518180421919
Energy: -1.7160084441350691
Energy: 0.8946873681604292
Energy: -1.9748434517064897
Energy: 0.8946873681485712
Energy: 0.3017711385961217
Energy: 0.8135966973929665
Energy: -1.4421859530607875
Energy: 0.8135966973921195
Energy: -1.6999282411011987
Energy: -1.803429648636732
Energy: -1.5450925894837708
Energy: -1.9359161525488509
Energy: -2.0153546008953036
Energy: 0.7802918515006861
Energy: -1.559389145516751
Energy: 0.7802918515049211
Energy: -1.586389638019057
Energy: 0.7803470990876287
Energy: -1.629786307956998
Energy: 0.7803470990868202
Energy: -1.7939807843849758
Energy: 0.7705900026409681
Energy: -1.8683368921531436
Energy: 0.7705900026443561
Energy: -1.3302298599180964
Energy: 0.8137534078492102
Energy: -1.7826524929891159
Energy: 0.8137534078475162
Energy: -1.737715942797467
Energy: 0.7299522376738148
Energy: -1.5306959108698313
Energy: 0.7299522376644979
Energy: -1.7042176737703472
Energy: 0.8113826731839393
Energy: -1.6032436904280938
Energy: 0.8113826731864803
Energy: -1.5475618459988545
Energy: 0.7316075983699414
Energy: -1.6499325546268875
Energy: 0.7316075983648593
Energy: 0.3213452818849194
Energy: 0.8135002442874163
Energy: -1.8234952984269885
Energy: 0.8135002442899574
Energy: -1.653079567483349
Energy: 0.7708156368537062
Energy: -1.614121327756468
Energy: 0.7708156368494713

minimum gb energy = -2.0886013345254484 eV
minimum distance =  2.2342994422491 Angstroms
sigma value = 25


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

Energy: -1.3949642476329316
Energy: 0.8675961447166647
Energy: 0.44579209761536137
Energy: 0.8675961447166647
Energy: -1.0674283854834596
Energy: 0.7250904260998924
Energy: -1.306077546764006
Energy: 0.7250904260969385
Energy: -0.9765373616707975
Energy: 0.918466335291821
Energy: -0.9478845807320322
Energy: 0.9184663352928055
Energy: -0.7723032953529996
Energy: 0.9030019039460385
Energy: -1.0543974102566402
Energy: 0.9030019039460385
Energy: -1.0952578147008003
Energy: 0.8814590142230436
Energy: 0.4812765130569539
Energy: 0.881459014222059
Energy: -1.3745343395560878
Energy: 0.9277435048606687
Energy: -1.0717437324819499
Energy: 0.9277435048586995
Energy: -1.4312548961726517
Energy: -0.9950441972804794
Energy: -1.5882282512735726
Energy: -1.0835037694089442
Energy: -1.3391032620396015
Energy: 0.8703152887469398
Energy: -1.1672936862294523
Energy: 0.8703152887479243
Energy: -1.3454994508526337
Energy: 0.7955320694261048
Energy: -1.099649639513155
Energy: 0.7955320694251201
Energy: -0.956656016527246
Energy: 0.9215303930307088
Energy: -0.8734857121816071
Energy: 0.9215303930287396
Energy: -1.086947997934303
Energy: 0.8894658519810067
Energy: -1.097037227703472
Energy: 0.8894658519829759
Energy: -1.310322034448046
Energy: 0.8690289780189645
Energy: -0.9708602960774023
Energy: 0.8690289780150261
Energy: -0.9717922667593825
Energy: 0.8950028085715361
Energy: -1.055708436793937
Energy: 0.8950028085725208
Energy: -1.4108923466372543
Energy: -1.1399072652704914
Energy: -1.144722143939004
Energy: -1.209263902595825
Energy: -1.1258048298303749
Energy: 0.8760262347027948
Energy: -1.055606819079621
Energy: 0.8760262347008256
Energy: -1.5289421685368931
Energy: 0.9482755678696375
Energy: -1.0736441245790298
Energy: 0.9482756328651184
Energy: 0.44337439318358063
Energy: 0.9184131295124411
Energy: 0.4310948101490361
Energy: 0.9184131295134257
Energy: -1.1665156017175382
Energy: 0.7607819391909925
Energy: -0.8066202992647328
Energy: 0.7607819391280224
Energy: -0.719299403021944
Energy: 0.8925794539447183
Energy: -1.137606748714446
Energy: 0.8925794539417645
Energy: -1.1768709999578248
Energy: 0.9277340372089162
Energy: -1.0878266972947874
Energy: 0.9277340372089162
Energy: -1.3199261753522695
Energy: 0.864791900898732
Energy: -1.3408712799280251
Energy: 0.8647919008977475
Energy: -1.3126259598906442
Energy: 0.8685739986634805
Energy: -1.0260185352370723
Energy: 0.8685739986634805
Energy: -1.1325837526488984
Energy: 0.759608063508598
Energy: -1.3544760131632083
Energy: 0.7596080635833832
Energy: 0.41517162042670586
Energy: 0.9174048196819792
Energy: -1.0872762292702263
Energy: 0.9174048196839483
Energy: -1.4253590197385266
Energy: -1.0712845384712468
Energy: -1.0252539945947279
Energy: -1.003935083339561

minimum gb energy = -1.5882282512735726 eV
minimum distance =  2.15669259258783 Angstroms
sigma value = 9


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

Energy: -0.3796376004357782
Energy: 1.0234328568303943
Energy: -1.306015895637026
Energy: 1.0234328568303943
Energy: -0.5612948450148114
Energy: 0.7808948422149575
Energy: -0.8715176331024582
Energy: 0.7808948423675706
Energy: 0.5131264901222542
Energy: 1.005106625252421
Energy: 0.7097140077538792
Energy: 1.005106625250072
Energy: -0.8120264170269472
Energy: 1.03801188185904
Energy: -0.5193275794974392
Energy: 1.0380118818555162
Energy: -0.5940768130579894
Energy: 0.8637890446164977
Energy: -0.5974495655108963
Energy: 0.8637890446329416
Energy: 0.6023862537734117
Energy: 1.0058241325303086
Energy: -0.5129228129031689
Energy: 1.0058241325350068
Energy: -0.7907813013357715
Energy: -0.49110016484297725
Energy: -0.3432690157157207
Energy: -0.40660925559050193
Energy: -0.46601291460893396
Energy: 1.00597566053173
Energy: -0.7593575411440457
Energy: 1.0059756605305556
Energy: -0.7420696870844772
Energy: 0.8380321341525927
Energy: -0.30801970385887323
Energy: 0.8380321545186985
Energy: -0.5243265658925015
Energy: 1.023611781381522
Energy: -0.46618819252050225
Energy: 1.023611781383871
Energy: 0.6043222124934683
Energy: 0.9836293969047989
Energy: 0.7148258767446745
Energy: 0.9836293969071481
Energy: -0.6231549069012929
Energy: -0.3346630195084242
Energy: -0.36191148953907226
Energy: -0.604922849686639
Energy: 0.5956218236886621
Energy: 1.0044548800782358
Energy: 0.5644062633540032
Energy: 1.0044548800794104
Energy: -0.6385369979857165
Energy: -0.3984290393258314
Energy: -0.884131671795112
Energy: -0.2639030318033719
Energy: 0.5910947328864762
Energy: 1.0027823199603276
Energy: 0.516094278867468
Energy: 1.0027823199615022
Energy: -0.5281655931355976
Energy: 0.9429753263199303
Energy: -0.5031286358362842
Energy: 0.9429753270478395
Energy: -0.8272716027111395
Energy: 0.9736130126537555
Energy: -0.47001494390318127
Energy: 0.973613012652581
Energy: -0.5891063200248552
Energy: 1.0248414455121897
Energy: -0.46252194284317355
Energy: 1.024841445515713
Energy: -0.5415884526108629
Energy: -0.3260026749983937
Energy: -0.6661306434138784
Energy: -0.5408839510707866
Energy: -0.26586082763253466
Energy: 1.007073538871396
Energy: -0.7199574644639065
Energy: 1.0070735388725705
Energy: -0.987368073555571
Energy: -0.2629923400498541
Energy: -0.5149965970252509
Energy: -0.30709247048856164

minimum gb energy = -1.306015895637026 eV
minimum distance =  2.18677975910091 Angstroms
sigma value = 25


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

Energy: 0.8375420836540965
Energy: 1.0744639171003845
Energy: 0.6604908496545723
Energy: 1.074463917101837
Energy: 0.8004484956188915
Energy: 0.9722557940377511
Energy: 0.7691010398701431
Energy: 0.9722557940377511
Energy: 0.8146831215050563
Energy: 1.1526339933642147
Energy: 0.7708443000154118
Energy: 1.1526339933627623
Energy: 0.8363641689133315
Energy: 1.0700980140172043
Energy: 0.6604976399651097
Energy: 1.070098014014299
Energy: 0.6828739260697857
Energy: 0.8028881367828028
Energy: 0.7801464272589039
Energy: 0.8028881367828028
Energy: 0.7684634762819772
Energy: 1.1559959578768348
Energy: 0.7739957112513486
Energy: 1.1559959578753825
Energy: 0.7993591958059001
Energy: 0.9322180340359818
Energy: 0.771986073176649
Energy: 0.9322180340374343
Energy: 0.6739699749140846
Energy: 1.0764400409382937
Energy: 0.8385491045851041
Energy: 1.0764400409382937
Energy: 0.7707551151859167
Energy: 0.96226368794407
Energy: 0.8012374534502523
Energy: 0.96226368794407
Energy: 0.7287244556457689
Energy: 1.007887576944259
Energy: 0.7697430291000877
Energy: 1.007887576944259
Energy: 0.6967331525447292
Energy: 1.0746282330728654
Energy: -0.28110883480195126
Energy: 1.0746282330728654
Energy: 0.7689195536418225
Energy: 0.8947188646108964
Energy: 0.7532576027975507
Energy: 0.894718901818094
Energy: 0.7691620826960934
Energy: 1.1370105565298696
Energy: 0.7664015595542188
Energy: 1.1370105565211543
Energy: 0.7685227734986256
Energy: 0.9354979837292591
Energy: 0.8374843887809617
Energy: 0.9354979837292591
Energy: 0.9069433912609831
Energy: 1.0748489470191125
Energy: 0.6592866273984107
Energy: 1.0748489470191125
Energy: 0.8037549449244246
Energy: 1.0081149690895697
Energy: 0.7681300711697768
Energy: 1.0081149690910223
Energy: 0.7724274678634613
Energy: 0.8234639026149363
Energy: 0.7564999363711049
Energy: 0.8234639026163558

minimum gb energy = -0.28110883480195126 eV
minimum distance =  2.34122183428877 Angstroms
sigma value = 17


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

Energy: 0.8924550166920564
Energy: 1.0867745183216364
Energy: 0.6822484293268041
Energy: 1.0867745183208137
Energy: 0.8009304739638888
Energy: 0.7977252087260192
Energy: 0.7863096365347819
Energy: 0.7977252087251964
Energy: 0.7510682329578915
Energy: 1.081450903033918
Energy: 0.8208175476731528
Energy: 1.0814509030322728
Energy: 0.7866762445974835
Energy: 1.0713679365928916
Energy: 0.736757122195569
Energy: 1.071367936588778
Energy: 0.8432327217798213
Energy: 0.971965851558046
Energy: 0.8032625289914884
Energy: 0.9719658515572235
Energy: 0.8427312592931034
Energy: 1.0714343340123935
Energy: 0.6265489311651448
Energy: 1.0714343340115708
Energy: 0.7901826684734427
Energy: 0.8946522405875392
Energy: 0.7613628311030387
Energy: 0.8946522405908298
Energy: 0.7182061091293124
Energy: 1.1368114869974535
Energy: 0.8460365246721845
Energy: 1.1368114869999213
Energy: 0.8364823945470066
Energy: 1.075726269781782
Energy: 0.7136181068707657
Energy: 1.0757262697809595
Energy: 0.7549691340644786
Energy: 0.9783443627340034
Energy: 0.7885651879151738
Energy: 0.9783443627340034
Energy: 0.8161867823003877
Energy: 1.0662462476373757
Energy: 0.7123666235279867
Energy: 1.066246247639844
Energy: 0.867065795313204
Energy: 0.9438339667167314
Energy: 0.8688360275636587
Energy: 0.9438339667076819
Energy: 0.7377705056901416
Energy: 1.0658975478274981
Energy: 0.8908957412586792
Energy: 1.0658975478242076
Energy: 0.8186956139119379
Energy: 1.0900807795605638
Energy: 0.8027039493132473
Energy: 1.0900807795613865
Energy: 0.7832930675882075
Energy: 0.9037555223993434
Energy: 0.8202001341739136
Energy: 0.9037555223960527
Energy: 0.7458773280173387
Energy: 1.1150136019204209
Energy: 0.7525782181846505
Energy: 1.1150136019212433
Energy: 0.7822761903096707
Energy: 0.9438963658214158
Energy: 0.7846821602777185
Energy: 0.9438963658214158
Energy: 0.6730361064892144
Energy: 1.0587957278205153
Energy: 0.8422299284164968
Energy: 1.0587957278229831
Energy: 0.8577327207364969
Energy: 1.018552266422669
Energy: 0.8810320158807707
Energy: 1.0185522664218463
Energy: 0.7937248412986437
Energy: 1.0751646401673514
Energy: 0.7887343196845759
Energy: 1.075164640165706
Energy: 0.7448880913082819
Energy: 1.0433433045089846
Energy: 0.7870373974325904
Energy: 1.043343304512275
Energy: 0.8194994318161051
Energy: 0.7302126808783918
Energy: 0.7536558464298042
Energy: 0.7302126808792145
Energy: 0.7672794443143756
Energy: 1.0745996901208585
Energy: 0.8140926847879124
Energy: 1.0745996901142774
Energy: 0.886183767802523
Energy: 0.9347300766490866
Energy: 0.7700024024158305
Energy: 0.9347300766433279
Energy: 0.8904444030363144
Energy: 1.0894423237050521
Energy: 0.7503300486580252
Energy: 1.089442323673828
Energy: 0.4453790415413176
Energy: 1.0752587197234948
Energy: 0.8148821609059403
Energy: 1.0752587197284307
Energy: 0.7629280182776017
Energy: 0.897648880690466
Energy: 0.7934738180920071
Energy: 0.8976488797398716
Energy: 0.6851655978617509
Energy: 1.0422960965738661
Energy: 0.7858373279094564
Energy: 1.0422960965738661
Energy: 0.7756035753995207
Energy: 0.9321505757167253
Energy: 0.7920013012782476
Energy: 0.9321505757249521
Energy: 0.8457810892232138
Energy: 1.0588528373037018
Energy: 0.718789012083343
Energy: 1.0588528373004114

minimum gb energy = 0.4453790415413176 eV
minimum distance =  2.24831611542716 Angstroms
sigma value = 53


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

Energy: 0.8952620551129417
Energy: 0.895538638734781
Energy: 0.6350022564990448
Energy: 0.895538638734781
Energy: 0.8789396734393294
Energy: 0.8559822836029571
Energy: 0.8615868812421164
Energy: 0.855982283604851
Energy: 0.862587236214826
Energy: 1.0644191038413986
Energy: 0.8978460762122851
Energy: 1.0644191038413986
Energy: 0.8638174252810413
Energy: 1.0646077248427488
Energy: 0.7912116022371402
Energy: 1.0646077248465367
Energy: 0.8789638376459915
Energy: 0.8561354294012936
Energy: 0.8615942031747466
Energy: 0.856135429393761
Energy: 0.8952620551110476
Energy: 0.895538638734781
Energy: 0.711594775774196
Energy: 0.8955386387366749
Energy: 0.8789396734393294
Energy: 0.855982283604851
Energy: 0.8098722076949374
Energy: 0.8559822836010631
Energy: 0.862587236214826
Energy: 1.0644191038413986
Energy: 0.8978460762122851
Energy: 1.0644191038413986
Energy: 0.8638174252810413
Energy: 1.0646077248427488
Energy: 0.7754933271050285
Energy: 1.0646077248446428
Energy: 0.8789638376119009
Energy: 0.856135429367246
Energy: 0.8084395337590121
Energy: 0.85613542936914
Energy: 0.8952620551129417
Energy: 0.895538638734781
Energy: 0.7116470084296137
Energy: 0.8955386387385688
Energy: 0.8789396734374355
Energy: 0.855982283604851
Energy: 0.7758650618628192
Energy: 0.8559822836010631
Energy: 0.862587236214826
Energy: 1.0644191038413986
Energy: 0.8978460762141791
Energy: 1.0644191038413986

minimum gb energy = 0.6350022564990448 eV
minimum distance =  2.2833187689873 Angstroms
sigma value = 9


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

Energy: 0.9824587571042784
Energy: 1.099403015414069
Energy: 0.7589962996255408
Energy: 1.099403015412667
Energy: 0.7693760921978103
Energy: 0.8144974765791937
Energy: 0.7830526928975364
Energy: 0.8144974765763898
Energy: 0.730133355928766
Energy: 1.0038992159490325
Energy: 0.7655626460438364
Energy: 1.0038991450700014
Energy: 0.7038533834226082
Energy: 1.004964833908566
Energy: 0.8444052801744779
Energy: 1.0049648340430892
Energy: 0.7496664486308021
Energy: 0.8746873119185827
Energy: 0.8031027580041732
Energy: 0.8746873119213867
Energy: 0.9608480837892374
Energy: 0.9365004805556972
Energy: 0.6767082369197331
Energy: 0.93650081961756
Energy: 0.7730412992098058
Energy: 0.7912342312165236
Energy: 0.7986407925233022
Energy: 0.7912342312186266
Energy: 0.8542791582707374
Energy: 0.9271021438932311
Energy: 0.7191465407317409
Energy: 0.9271021438946331
Energy: 0.7290380550020903
Energy: 0.948339541411462
Energy: 0.933397519874739
Energy: 0.9483395404963726
Energy: 0.704175747209176
Energy: 0.8609109332689932
Energy: 0.8464011778034045
Energy: 0.8609109332710961
Energy: 0.8574343010786337
Energy: 1.1189869635494765
Energy: 0.6755575657402187
Energy: 1.1189869635438685
Energy: 0.7472877680561403
Energy: 1.030794892331581
Energy: 0.7757449113524431
Energy: 1.0307948923168606
Energy: 0.8302566998616079
Energy: 1.0008620868363514
Energy: 0.6839167608701934
Energy: 1.0008620894967382
Energy: 0.6971448989679574
Energy: 0.9310036049578978
Energy: 0.9661073375397092
Energy: 0.9310036048815553
Energy: 0.7944772385724694
Energy: 0.941961784190246
Energy: 0.7348879070182744
Energy: 0.9419629339495464
Energy: 0.8322916956674502
Energy: 0.9568186463717141
Energy: 0.7126330437475731
Energy: 0.9568186429104328
Energy: 0.7616255012714527
Energy: 1.0545980815314073
Energy: 0.7694141115585639
Energy: 1.0545980815349123
Energy: 0.8578859242394269
Energy: 0.7939997613673683
Energy: 0.7152384754953575
Energy: 0.7939997613666673
Energy: 0.4623071173513605
Energy: 0.9272231483044442
Energy: 0.9390635675796595
Energy: 0.9272231016718425
Energy: 0.7490244659754121
Energy: 0.8666139324631915
Energy: 0.757651454862794
Energy: 0.8666139324561819
Energy: 0.7389319760288187
Energy: 1.090553613356402
Energy: 0.728683499258666
Energy: 1.0905536133486913
Energy: 0.8135475014526891
Energy: 0.9472419742143293
Energy: 0.7228975574449727
Energy: 0.9472419742234419
Energy: 0.848230090285068
Energy: 0.9314370932789661
Energy: 0.7090489454689067
Energy: 0.9314370932845739
Energy: 0.6699466278135318
Energy: 1.0836633620681893
Energy: 0.8942115401583252
Energy: 1.0836633620625813
Energy: 0.8039506513501411
Energy: 0.6377216109872518
Energy: 0.7485631539762757
Energy: 0.6377216109186201
Energy: 0.5861591983195078
Energy: 1.0033260229644099
Energy: 0.8294549716977189
Energy: 1.0033260229644099
Energy: 0.7790711298167226
Energy: 0.9571556921538692
Energy: 0.7037028011973347
Energy: 0.957155692160879
Energy: 0.9774282151011122
Energy: 0.899536223848965
Energy: 0.7000417583864347
Energy: 0.8995362238454601
Energy: 0.7196097608901894
Energy: 1.015757808077018
Energy: 0.8308675882649991
Energy: 1.0157578080735132
Energy: 0.8121585697877212
Energy: 0.8084119693740626
Energy: 0.7634667745651049
Energy: 0.8084119692605686
Energy: 0.6153519216499906
Energy: 1.0868591958172382
Energy: 0.8944638970560366
Energy: 1.086859195815836
Energy: 0.7328863703006004
Energy: 0.8175777607201433
Energy: 0.7462706028870408
Energy: 0.8175777607173395
Energy: 0.8353365428058042
Energy: 0.8653631655665156
Energy: 0.7546721003470884
Energy: 0.865363165558805
Energy: 0.7116689920006786
Energy: 1.0918541905385053
Energy: 0.7336215912860513
Energy: 1.0918541905342996
Energy: 0.7152182774892162
Energy: 0.8586684814195922
Energy: 0.8594667596494682
Energy: 0.8586684814188912

minimum gb energy = 0.4623071173513605 eV
minimum distance =  2.26934663810991 Angstroms
sigma value = 73


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

Energy: 0.9966963792020422
Energy: 0.8250812018251368
Energy: 0.6023313196094208
Energy: 0.8250812018351461
Energy: 0.8968683377583808
Energy: 1.0001239812648142
Energy: 0.9006604626796831
Energy: 1.000123972481592
Energy: 0.8188120413056067
Energy: 1.0027709502762154
Energy: 0.8625782148754759
Energy: 1.002770950232867
Energy: 0.7531758553811975
Energy: 0.9553455777717321
Energy: 0.8764139875025908
Energy: 0.9553455777061405
Energy: 0.7168081650272594
Energy: 0.9022348611670326
Energy: 0.7626384870682313
Energy: 0.9022348611681447
Energy: 0.9024265257796147
Energy: 0.9946212217920042
Energy: 0.6156430302023316
Energy: 0.9946212442986284
Energy: 0.8288787340705116
Energy: 0.7589102921559386
Energy: 0.842006362697026
Energy: 0.7589102921548264
Energy: 0.8526769925953929
Energy: 1.0084271847296404
Energy: 0.6854353344063603
Energy: 1.0084271698456317
Energy: 0.780003596933993
Energy: 0.7877924604375703
Energy: 0.971364549730053
Energy: 0.787792460435346
Energy: 0.8043922663926113
Energy: 0.8663492235295516
Energy: 0.8221610169342904
Energy: 0.8663492235295516
Energy: 0.8059436953199777
Energy: 0.9322449989774995
Energy: 0.7156912649980407
Energy: 0.9322449988552132
Energy: 0.8046665592082122
Energy: 0.9605528340055437
Energy: 0.7519606358922355
Energy: 0.9605528340066559
Energy: 0.9024247571321562
Energy: 0.7865125829004763
Energy: 0.7301172500513006
Energy: 0.7865125829093738
Energy: 0.22630162182117103
Energy: 0.970474855853132
Energy: 0.903035846859457
Energy: 0.970474855899817
Energy: 0.8447884304141611
Energy: 0.8980078864155653
Energy: 0.809547528711688
Energy: 0.8980078864155653
Energy: 0.7123527104446061
Energy: 1.011638363825423
Energy: 0.8526497885881882
Energy: 1.0116383636786948
Energy: 0.8789704196064567
Energy: 1.0065256649648726
Energy: 0.8189523694838491
Energy: 1.006525664967097
Energy: 0.9791914308953727
Energy: 0.9565738735154609
Energy: 0.8059100657031547
Energy: 0.9565738732619913
Energy: 0.7133265562042798
Energy: 1.0140804424341157
Energy: 0.8524451486549958
Energy: 1.0140804424296672
Energy: 0.8976229834237553
Energy: 1.0132645170168637
Energy: 0.8360533325672201
Energy: 1.0132645189689182
Energy: 0.715708959025883
Energy: 1.014245259533891
Energy: 0.9019814034362248
Energy: 1.0142452595283555
Energy: 0.8453686774601455
Energy: 0.8342940331905127
Energy: 0.7514994041278471
Energy: 0.834294033200522

minimum gb energy = 0.22630162182117103 eV
minimum distance =  2.26483470109496 Angstroms
sigma value = 7


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

Energy: 0.9890656798266497
Energy: 0.7219702694638421
Energy: 0.07870289794712677
Energy: 0.7219702878891152
Energy: 0.772154201804969
Energy: 0.7982378333945187
Energy: 0.8690049535756618
Energy: 0.7982378333937324
Energy: 0.7893946701597206
Energy: 1.0474048786580805
Energy: 0.7715954816475608
Energy: 1.047404878639993
Energy: 0.1621594507527819
Energy: 0.9046132854039597
Energy: 0.901643978426543
Energy: 0.9046132854110375
Energy: 0.7575438062160862
Energy: 0.7955409385236341
Energy: 0.5471077255851382
Energy: 0.7955409385228477
Energy: 0.9054292161810833
Energy: 0.8634292374368359
Energy: 0.553890400924702
Energy: 0.8634292374289718
Energy: 0.8057357932074575
Energy: 0.7271469300338116
Energy: 0.7364052982742739
Energy: 0.7271443193704175
Energy: 0.9054027967578899
Energy: 0.7125248572134432
Energy: 0.7012210893389149
Energy: 0.7125248572220937
Energy: 0.4136866357125317
Energy: 0.9481234569209251
Energy: 0.9281468417285035
Energy: 0.9481234563187849
Energy: 0.7681492489624607
Energy: 0.783624465513402
Energy: 0.7518884329842398
Energy: 0.7836244655173342
Energy: 0.7264808001157321
Energy: 0.9219764720538798
Energy: 0.7684956052947178
Energy: 0.9219764720538798
Energy: 0.7461282700433541
Energy: 0.9812240113076005
Energy: 0.7091465449098734
Energy: 0.9812240113091376
Energy: 0.7575744633602305
Energy: 0.8694688151903365
Energy: 0.6750419790106754
Energy: 0.8694688151856181
Energy: 0.6737244831431781
Energy: 0.9820000058555967
Energy: 0.7701950161595119
Energy: 0.9820000058603151
Energy: 0.7067984212747233
Energy: 0.7669967049815897
Energy: 0.8582647023534037
Energy: 0.7669967050664862
Energy: 0.30170648664905797
Energy: 0.9549379748046207
Energy: 0.9266511835368372
Energy: 0.9549379535118095
Energy: 0.7175693380341259
Energy: 0.7643573653395436
Energy: 0.6904166418191902
Energy: 0.7643573653434755
Energy: 0.7446631094860731
Energy: 0.8113421209143007
Energy: 0.7085444072162
Energy: 0.8113420748172844
Energy: 0.9061152321893026
Energy: 0.932454437712846
Energy: 0.7201379560854464
Energy: 0.9324544377136323
Energy: 0.7927398005305846
Energy: 0.8067298194502142
Energy: 0.7065761477543786
Energy: 0.8067298194494278
Energy: 0.10559522199373862
Energy: 1.032139727988659
Energy: 0.9281563351627861
Energy: 1.0321397279902318
Energy: 0.8328759052865683
Energy: 0.8878122150782248
Energy: 0.7413605883975615
Energy: 0.8878122316476053
Energy: 0.7821002778781061
Energy: 1.0207233314499236
Energy: 0.8139946588748054
Energy: 1.0207233314530695
Energy: 0.9894639348743661
Energy: 0.7354540870067205
Energy: 0.419557141205752
Energy: 0.7354540870153711
Energy: 0.8300810820102821
Energy: 0.8240086417955289
Energy: 0.7766117004332703
Energy: 0.8240086417963154
Energy: 0.7383154765673724
Energy: 0.754256482853884
Energy: 0.767002110814333
Energy: 0.7542564828586026
Energy: 0.7911517397279064
Energy: 0.9793407313945292
Energy: 0.7644394160747584
Energy: 0.979340720779562
Energy: 0.5177862714253976
Energy: 0.7596268438113618
Energy: 0.9458945075392058
Energy: 0.7596268438687341
Energy: 0.9045132149005503
Energy: 0.9840189569001173
Energy: 0.7056966077764117
Energy: 0.9840189568953988
Energy: 0.8486026110042226
Energy: 1.20910968533044
Energy: 0.8797510052219648
Energy: 1.2091096853312266
Energy: 0.9045619832877138
Energy: 1.0721829040594135
Energy: 0.5953492563147841
Energy: 1.0721829040546949

minimum gb energy = 0.07870289794712677 eV
minimum distance =  2.22520710585053 Angstroms
sigma value = 29


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

Energy: 0.7701970085220906
Energy: 0.5416302892817753
Energy: 0.8427825518429881
Energy: 0.541630289282597
Energy: 0.6956976922917183
Energy: 0.7979073497992104
Energy: 0.8972760680162224
Energy: 0.7979067990851045
Energy: 0.8307061217696312
Energy: 0.9153448471402574
Energy: 0.6971131426752966
Energy: 0.91534484713974
Energy: 0.8982207509940726
Energy: 1.1418280543504544
Energy: 0.8976460980336203
Energy: 1.1418280543493893
Energy: 0.8989267159325366
Energy: 0.8581142765178038
Energy: 0.9031450090033194
Energy: 0.8581142765172559
Energy: 0.6393157830173831
Energy: 1.0469170911190167
Energy: 0.6395111641821007
Energy: 1.046917091118499
Energy: 0.8298777464085624
Energy: 0.8582343668821708
Energy: 0.8990092501690276
Energy: 0.8582343668818969
Energy: 0.8975206085273014
Energy: 1.141605521546443
Energy: 0.8983121938300251
Energy: 1.1416055215453775
Energy: 0.6970911148261364
Energy: 0.9153153784446834
Energy: 0.6402266544537679
Energy: 0.9153153784452313

minimum gb energy = 0.5416302892817753 eV
minimum distance =  2.33124111376543 Angstroms
sigma value = 5


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

Energy: 0.7728302180554504
Energy: 0.6221794191606284
Energy: 0.3751717168758385
Energy: 0.6221794191643427
Energy: 0.6959305662565904
Energy: 1.0619555275011778
Energy: 0.599374334553756
Energy: 1.0619555280439716
Energy: 0.6246476790657299
Energy: 0.5636560894723501
Energy: 0.7243105842808905
Energy: 0.5636560894693785
Energy: 0.5748851629377826
Energy: 0.844042395790824
Energy: 0.6371614074664632
Energy: 0.844042395158921
Energy: 0.6505580355988483
Energy: 0.6687334417067115
Energy: 0.8863214402818098
Energy: 0.6687334417185972
Energy: 0.5575216407049997
Energy: 0.6282609421205061
Energy: 0.5949783988607261
Energy: 0.6282609421182775
Energy: 0.6191748597387365
Energy: 0.717726304683671
Energy: 0.6086921461224518
Energy: 0.7177263047356374
Energy: 0.6146634926258083
Energy: 0.8937420578983923
Energy: 0.6079796466265599
Energy: 0.893742057991216
Energy: 0.6796393552207274
Energy: 0.8478077784051516
Energy: 0.597241143841748
Energy: 0.847807778402923
Energy: 0.6381083515466761
Energy: 0.7043365622883262
Energy: 0.3970004847077416
Energy: 0.7043365622868406
Energy: 0.5189767820536904
Energy: 0.8224622602009872
Energy: 0.6243048469127362
Energy: 0.8224622397650977
Energy: 0.6196735220985359
Energy: 0.8510951344170257
Energy: 0.6341447584619548
Energy: 0.8510951339195463
Energy: 0.5190274993847206
Energy: 0.6237308763433675
Energy: 0.7751736499071366
Energy: 0.6237308763374583
Energy: 0.6434685185923068
Energy: 0.7757148016251817
Energy: 0.6995936411354071
Energy: 0.7757148015026437
Energy: 0.7234556087209257
Energy: 0.8477496783438346
Energy: 0.6213163878037824
Energy: 0.8477496560954021
Energy: 0.6354537218932407
Energy: 0.6380991230372375
Energy: 0.2659449601000514
Energy: 0.6380991230372375
Energy: 0.6914483650525667
Energy: 0.8350501922667745
Energy: 0.6305723344326815
Energy: 0.8350501927405161
Energy: 0.6507498078935998
Energy: 0.6248045374173181
Energy: 0.43904078829909854
Energy: 0.6248045374225182
Energy: 0.6059442594123285
Energy: 0.6748517459977351
Energy: 0.599992563368645
Energy: 0.6748517459977351
Energy: 0.6185332311742248
Energy: 0.8348225424420933
Energy: 0.6150587328298077
Energy: 0.8349386669916954
Energy: 0.578124595714093
Energy: 0.6542669850629246
Energy: 0.6364032206438582
Energy: 0.6542553933531333
Energy: 0.678356006136903
Energy: 0.6972717544211898
Energy: 0.6474389570694492
Energy: 0.6972717544642758
Energy: 0.6058717993280351
Energy: 0.8021779777938403
Energy: 0.5774600114110637
Energy: 0.8021779779423447
Energy: 0.6259163383944106
Energy: 0.9542244849656131
Energy: 0.6187821996043782
Energy: 0.954222945219392
Energy: 0.7071165313202725
Energy: 0.6583149104537647
Energy: 0.6344886821846163
Energy: 0.6583149104530218
Energy: 0.6906872400126721
Energy: 0.8030732921404757
Energy: 0.6508822986894933
Energy: 0.8030732921427044
Energy: 0.6122404687540315
Energy: 0.8314039269380507
Energy: 0.6179634187516824
Energy: 0.8314039270939837
Energy: 0.19113178800281014
Energy: 1.0434515360773085
Energy: 0.7070255002975394
Energy: 1.0434515360706227
Energy: 0.6182510316505261
Energy: 0.6699354919395741
Energy: 0.8223478927644754
Energy: 0.6699354750915935
Energy: 0.5077229852415004
Energy: 0.8478200647093627
Energy: 0.6436525766831732
Energy: 0.8478199884924406
Energy: 0.6142893084201136
Energy: 0.5973612153390991
Energy: 0.565285853489981
Energy: 0.597361215334642
Energy: 0.7657443631968739
Energy: 0.7832399281562054
Energy: 0.6197246183358432
Energy: 0.7832399281888912
Energy: 0.7038623919921624
Energy: 1.0470504145470743
Energy: 0.530083954334336
Energy: 1.0470504142693802

minimum gb energy = 0.19113178800281014 eV
minimum distance =  2.1858458098009 Angstroms
sigma value = 1


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

Energy: 0.7988904901918567
Energy: 0.7856356456959376
Energy: 0.3675329783385858
Energy: 0.7856355850741612
Energy: 0.7880924317672198
Energy: 1.0499340162931161
Energy: 0.6253070494446772
Energy: 1.0499340162941435
Energy: 0.5763597470140653
Energy: 0.6314102090838413
Energy: 0.676837989521463
Energy: 0.6314102087768706
Energy: 0.5782648837083743
Energy: 1.020106004480752
Energy: 0.682024332562272
Energy: 1.0201060044848607
Energy: 0.5026915682184421
Energy: 0.9778378517917204
Energy: 0.8689401248372359
Energy: 0.9778378517824764
Energy: 0.5126212756627309
Energy: 0.9006792362854049
Energy: 0.6800516988447883
Energy: 0.900679238050241
Energy: 0.5531409924336367
Energy: 0.7747054886251109
Energy: 0.5986787150325071
Energy: 0.7747054886199755
Energy: 0.6069581850657657
Energy: 0.8948237242765718
Energy: 0.6037333182174714
Energy: 0.8948237242714361
Energy: 0.7138974292440182
Energy: 0.9013626664720515
Energy: 0.5551149067033863
Energy: 0.9013626664730787
Energy: 0.7267797574918119
Energy: 0.835927062131618
Energy: 0.5881762974964129
Energy: 0.8359270622301755
Energy: 0.5498377819154959
Energy: 0.9201183618507771
Energy: 0.5683634808333173
Energy: 0.9201184249899695
Energy: 0.5411022840045778
Energy: 0.8902338801770351
Energy: 0.6019319138184149
Energy: 0.8902338801749807
Energy: 0.5253332193857397
Energy: 0.8984302915623498
Energy: 0.7064596427705687
Energy: 0.898414534159035
Energy: 0.5165884757901861
Energy: 0.8753372814090885
Energy: 0.655121870338975
Energy: 0.8753372815138087
Energy: 0.587735817607653
Energy: 0.8673634345180619
Energy: 0.7139828937569576
Energy: 0.8673634345221704
Energy: 0.6370994014210568
Energy: 0.6166215136860779
Energy: 0.4781835124193136
Energy: 0.6166215136758066
Energy: 0.8540263814782472
Energy: 1.1772710977479819
Energy: 0.6241411052978949
Energy: 1.1772710977469547
Energy: 0.7988904982388993
Energy: 0.785635711156435
Energy: 0.272368804785464
Energy: 0.7856357159283928
Energy: 0.7880924317672198
Energy: 1.049934016247946
Energy: 0.6253070494415958
Energy: 1.0499340162417832
Energy: 0.5763597470099568
Energy: 0.6314102085243143
Energy: 0.6758178315063667
Energy: 0.6314102086536622
Energy: 0.5782648837155641
Energy: 1.020106004480752
Energy: 0.682024332562272
Energy: 1.0201060044838333
Energy: 0.5026915683745186
Energy: 0.9778378517024072
Energy: 0.868940124838263
Energy: 0.9778378517455231
Energy: 0.5126212756596495
Energy: 0.900679234772098
Energy: 0.6800516988447883
Energy: 0.9006792344733444
Energy: 0.5531409924356909
Energy: 0.7747054886127854
Energy: 0.5975229152637761
Energy: 0.7747054886220296

minimum gb energy = 0.272368804785464 eV
minimum distance =  2.26753751328703 Angstroms
sigma value = 17


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

Energy: 0.6383090058286185
Energy: 0.38186505158998324
Energy: -0.04934294026013345
Energy: 0.3818650571017718
Energy: 0.4578963839706985
Energy: 0.8591263968576259
Energy: 0.3580240392219565
Energy: 0.8591263966767525
Energy: 0.4696968939187104
Energy: 0.3047889975653956
Energy: 0.3541154377432931
Energy: 0.30478899824496913
Energy: 0.07863873057420841
Energy: 0.8128700504220263
Energy: 0.23240680837532016
Energy: 0.8128700505045563
Energy: 0.17959338696916613
Energy: 0.8018922091222751
Energy: 0.5182159686124177
Energy: 0.8018922099707176
Energy: 0.03286332725243154
Energy: 0.9432654366541539
Energy: 0.5752484136291544
Energy: 0.9432627553456394
Energy: 0.4647964496668432
Energy: 0.6325378600393358
Energy: 0.4997836013659544
Energy: 0.6325378602239603
Energy: 0.1354967922009867
Energy: 0.6358299198104176
Energy: 0.1641061565762778
Energy: 0.6358299198091478
Energy: 0.2399872620800267
Energy: 0.7186008147050642
Energy: 0.41157494961317354
Energy: 0.7186008147050642
Energy: 0.4766545222330116
Energy: 0.8346430343435159
Energy: 0.32614246498956284
Energy: 0.8346431137915769
Energy: 0.6091148647170859
Energy: 0.9005186675860348
Energy: 0.24303697793465784
Energy: 0.9005186675860348
Energy: 0.44082605509319234
Energy: 0.5593510449767799
Energy: 0.2817523305726005
Energy: 0.5593510451195626
Energy: 0.08444625895609266
Energy: 0.9484605490430031
Energy: 0.35844314376971326
Energy: 0.9484605490595092
Energy: 0.3780650108919797
Energy: 0.750937490168354
Energy: 0.5779374210857733
Energy: 0.7509374899671655
Energy: 0.2547431493558772
Energy: 0.9280984905377563
Energy: 0.6297670167187273
Energy: 0.9280984905554742
Energy: 0.462997643514115
Energy: 0.5877970915961379
Energy: 0.5243619338551512
Energy: 0.5878101278205986
Energy: 0.30214951967583564
Energy: 0.6793165929702646
Energy: 0.4067911912665908
Energy: 0.6793165929696299
Energy: 0.3810157388382047
Energy: 0.4405588046163986
Energy: 0.15225349066950522
Energy: 0.4405588046030669
Energy: 0.7922199110716607
Energy: 1.103606799516747
Energy: 0.3631391492155891
Energy: 1.103606799519921
Energy: 0.5698269637958533
Energy: 0.2961935208864703
Energy: -0.04688377195940104
Energy: 0.2961935215343592
Energy: 0.4384605723671741
Energy: 0.8535250945684203
Energy: 0.41395522733462675
Energy: 0.8535250945728644
Energy: 0.3304911393254988
Energy: 0.9671123114135683
Energy: 0.8649196965289729
Energy: 0.967112311435153
Energy: 0.16400473026658038
Energy: 0.828490027260626
Energy: 0.4229952664565669
Energy: 0.8284900259026332
Energy: 0.3331445958846109
Energy: 0.7629382552803863
Energy: 0.6825473150096584
Energy: 0.7629383192964435
Energy: 0.029620194548099752
Energy: 0.5440611124373186
Energy: 0.28756416261029494
Energy: 0.5440611115705233
Energy: 0.44175384991018124
Energy: 0.5591563613225534
Energy: 0.3449040356873832
Energy: 0.559156361191833
Energy: 0.6329927569600146
Energy: 0.9816161048025257
Energy: 0.42399841444125325
Energy: 0.9816161045436241
Energy: 0.6347154571765146
Energy: 0.6733073454430323
Energy: 0.26926783481076
Energy: 0.6733336356806389
Energy: 0.5770121542337111
Energy: 0.8449445445672341
Energy: 0.1818393044438482
Energy: 0.8449445445608856
Energy: 0.41193933033609037
Energy: 0.9401650983735402
Energy: 0.1530148766474624
Energy: 0.9401650988881692
Energy: 0.20632915007036276
Energy: 0.5801302860042983
Energy: 0.37010292567418374
Energy: 0.5801302817704541
Energy: 0.2469437514219975
Energy: 0.9363254118247615
Energy: 0.26486329959933186
Energy: 0.9363254120988995
Energy: 0.3111003547960691
Energy: 0.837683297494981
Energy: 0.41451830896407305
Energy: 0.8376832993535787
Energy: 0.15005334278607455
Energy: 0.8048513741649296
Energy: 0.34665292602781445
Energy: 0.8048513741649296
Energy: 0.12091697438497553
Energy: 0.5413374656741455
Energy: 0.2673306293776884
Energy: 0.5413374656747804
Energy: 0.5015991263770196
Energy: 0.8360510484607655
Energy: 0.3784408089668033
Energy: 0.8360510484151144
Energy: 0.5462275052482012
Energy: 0.9323615311625176
Energy: 0.03506834102925528
Energy: 0.9323615311726752
Energy: 0.5095493682833939
Energy: 0.9050077551848036
Energy: 0.3190165788875512
Energy: 0.9050077517873399

minimum gb energy = -0.04934294026013345 eV
minimum distance =  2.19363462575779 Angstroms
sigma value = 89


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

Energy: 0.5978456088972196
Energy: 0.5895855554090166
Energy: 0.5102820228105482
Energy: 0.5895855554090166
Energy: 0.48566356376646985
Energy: 0.6051099111741814
Energy: 0.4695861545542184
Energy: 0.6051099111758425
Energy: 0.4627661657749673
Energy: 1.0103770681158442
Energy: 0.6172026103168692
Energy: 1.0103770681208273
Energy: 0.27110628689740573
Energy: 0.5775202781557301
Energy: 0.47555195726241106
Energy: 0.5775202775629875
Energy: 0.5645776408247399
Energy: 0.9527016962811306
Energy: 0.48937797511305886
Energy: 0.9527016962827917
Energy: 0.48225942646022646
Energy: 0.5041195711661196
Energy: 0.47577558928176183
Energy: 0.5041195711644962
Energy: 0.4747642881658721
Energy: 0.6997334570295073
Energy: 0.48459300034682384
Energy: 0.6997334570295073
Energy: 0.10215532573070876
Energy: 0.6551045547093379
Energy: 0.48597252863371676
Energy: 0.6551045183809437
Energy: 0.5636960446885544
Energy: 0.5959819661341846
Energy: 0.385658195163367
Energy: 0.5959819661358456
Energy: 0.5880610516206694
Energy: 0.4930480869796448
Energy: 0.47657267239261203
Energy: 0.4930480890600768
Energy: 0.47274317617801265
Energy: 0.6094437563696876
Energy: 0.4824741863690986
Energy: 0.609443756376332
Energy: 0.46637251611131353
Energy: 0.6991177656112052
Energy: 0.46454352541077865
Energy: 0.6991177656112052
Energy: 0.5403940183982674
Energy: 0.9354283101717797
Energy: 0.3845247650439056
Energy: 0.9354283101717797
Energy: 0.47725183397855686
Energy: 0.5645805373504182
Energy: 0.47662368839034874
Energy: 0.5645805373520792
Energy: 0.07287479145983003
Energy: 0.9340470454299123
Energy: 0.4275102397843654
Energy: 0.9340470454299123

minimum gb energy = 0.07287479145983003 eV
minimum distance =  2.20226232870965 Angstroms
sigma value = 13


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

Energy: 0.5461866350885939
Energy: 0.8897863480434446
Energy: -0.32681912492110604
Energy: 0.8897863480490144
Energy: 0.44831376479697
Energy: 0.9279161259735558
Energy: 0.23246507626999577
Energy: 0.9279161259693784
Energy: 0.48794788273963585
Energy: 0.6284227608533968
Energy: -0.18622285767866445
Energy: 0.628423139422768
Energy: -0.15370794461089696
Energy: 0.917492597787118
Energy: -0.2736345012919799
Energy: 0.9174925977780671
Energy: 0.045173996257831486
Energy: 0.5962888216861518
Energy: 0.3051298656016237
Energy: 0.596288821309686
Energy: -0.13566151238042132
Energy: 0.7650127505755321
Energy: 0.4962023951078354
Energy: 0.7650127505762282
Energy: 0.21206597961418305
Energy: 1.0268715540656386
Energy: 0.2572175511908179
Energy: 1.026871554064246
Energy: -0.30195436539797094
Energy: 0.9083650184809989
Energy: -0.08389996085464503
Energy: 0.9083650184677707
Energy: 0.1345749980147861
Energy: 0.8946193216771676
Energy: 0.04419763776955376
Energy: 0.8946193214482373
Energy: 0.08716856208685114
Energy: 0.7418400230654657
Energy: -0.1926075455443532
Energy: 0.7418400230605922
Energy: 0.03324737037623345
Energy: 0.7383904067158684
Energy: -0.1725689974413414
Energy: 0.7383904067207421
Energy: 0.22670004602713686
Energy: 0.7502840424112036
Energy: -0.18773280311467844
Energy: 0.7502840424334827
Energy: 0.4128799197266714
Energy: 0.897546364762124
Energy: -0.2529401409923019
Energy: 0.8975463647656051
Energy: 0.4488004247677928
Energy: 0.7436019482956849
Energy: -0.19800313681251555
Energy: 0.7436019483061284
Energy: 0.22538016133961483
Energy: 0.8576504535101818
Energy: -0.331711167453825
Energy: 0.8576504535004348
Energy: -0.14246837058365883
Energy: 0.7384997322187019
Energy: -0.13920960003350794
Energy: 0.7384997330621426
Energy: 0.06597413795431656
Energy: 0.9927234779322412
Energy: -0.10582802107239428
Energy: 0.9927234779252793
Energy: -0.13265453545873548
Energy: 0.8977958186272573
Energy: 0.31531218583736104
Energy: 0.897795818629346
Energy: 0.09671299346578956
Energy: 0.8917848620118034
Energy: -0.02557302962701653
Energy: 0.8917848620118034
Energy: 0.08427092610803734
Energy: 0.8864325354548709
Energy: -0.0377625325134559
Energy: 0.8864325354541747
Energy: -0.11934261740583967
Energy: 0.8845464689050089
Energy: 0.007032908862813237
Energy: 0.8845464688883629
Energy: 0.06359413108225916
Energy: 1.0092170871611525
Energy: -0.14557257787622416
Energy: 1.0092170871590638
Energy: -0.13828935030693365
Energy: 0.7391099814762355
Energy: -0.1085932015070538
Energy: 0.7391099795799183
Energy: 0.14672408591189132
Energy: 0.8550466602361005
Energy: -0.25452558294627337
Energy: 0.8550466602451513
Energy: 0.3847774488970163
Energy: 0.7685884443477994
Energy: -0.18994126882977275
Energy: 0.7685884445092596
Energy: 0.4123159413321348
Energy: 0.9067995398264073
Energy: -0.20709451142400995
Energy: 0.9067995398312808
Energy: 0.23047120185993925
Energy: 0.7268810563860955
Energy: -0.20028855391789804
Energy: 0.7268810892790752
Energy: 0.13664469609185398
Energy: 0.7334729057579191
Energy: -0.29783413191297786
Energy: 0.7334729057864643
Energy: -0.023686558830252155
Energy: 0.7245644433358492
Energy: -0.23324934427769803
Energy: 0.7245752354225609
Energy: 0.09663040556442763
Energy: 0.8929303378632077
Energy: 0.4567838312345843
Energy: 0.8929303378604229
Energy: -0.35205471747050654
Energy: 0.7124930749456668
Energy: 0.49652840371333257
Energy: 0.7124932638726211
Energy: -0.13241560923169307
Energy: 1.0292148624463373
Energy: 0.29323568509215997
Energy: 1.0292148624463373
Energy: -0.2705904506095273
Energy: 0.761956388877238
Energy: 0.4966654045351966
Energy: 0.7619563887331837
Energy: 0.14080728997971428
Energy: 0.6144706979860587
Energy: 0.20073926568117204
Energy: 0.6144706979693494
Energy: -0.15489519347159522
Energy: 0.9410992640715065
Energy: 0.1035698525999878
Energy: 0.9410992640867599

minimum gb energy = -0.35205471747050654 eV
minimum distance =  2.19491266330606 Angstroms
sigma value = 37


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

Energy: 0.453409050874986
Energy: 0.4436687360257041
Energy: 0.21270699800789683
Energy: 0.4436687360257041
Energy: 0.6048742053782373
Energy: 0.7621279547849578
Energy: 0.24184626751143215
Energy: 0.7621279547789688
Energy: 0.4163540110252999
Energy: 1.0338394111761295
Energy: 0.2064859764410461
Energy: 1.0338394111749318
Energy: 0.1983913254588997
Energy: 0.7611606126330935
Energy: 0.2636485851865992
Energy: 0.7611606126115326
Energy: 0.2835090117330917
Energy: 0.75900649292605
Energy: 0.21113856042382678
Energy: 0.7590064929248522
Energy: -0.015542816424042687
Energy: 0.7587885371695228
Energy: 0.3919350220467736
Energy: 0.7587885371731163
Energy: 0.3239362919261135
Energy: 1.127709652194914
Energy: 0.640333912504401
Energy: 1.127709652194914
Energy: 0.1995910427365777
Energy: 0.44549180226376545
Energy: 0.4411323744073326
Energy: 0.4454918022649633
Energy: 0.2688468271251709
Energy: 0.752725598886504
Energy: 0.6116219634945675
Energy: 0.7527255988877017
Energy: 0.18396510399332677
Energy: 0.7698118335763068
Energy: 0.3802919937681053
Energy: 0.7698118335260253
Energy: 0.32086343167109027
Energy: 1.1281841829468364
Energy: 0.20051019746523738
Energy: 1.1281841829480341
Energy: 0.6004710191204308
Energy: 0.7538574970976752
Energy: 0.2654283101014229
Energy: 0.7538574970976752
Energy: 0.2013359147651927
Energy: 0.7646833716878262
Energy: -0.01522853148340428
Energy: 0.7646833716914198
Energy: 0.6449403225962075
Energy: 1.1272856973767038
Energy: 0.24996391258088663
Energy: 1.1272856973767038
Energy: 0.4326642394047119
Energy: 0.48671297587515866
Energy: 0.19876113050586697
Energy: 0.48671297587515866
Energy: 0.3843610235833433
Energy: 0.722603519057804
Energy: 0.07499085252038189
Energy: 0.7226035190590018
Energy: 0.1990522367132043
Energy: 0.7494566900497855
Energy: -0.18192330724642577
Energy: 0.7494567255208016
Energy: 0.10883975459991382
Energy: 1.1279049103813883
Energy: 0.1396445957265542
Energy: 1.1279049103813883
Energy: 0.2622291080213251
Energy: 0.719527417572007
Energy: 0.20021712521097504
Energy: 0.7195274175756005
Energy: 0.2012610454749027
Energy: 0.7225438031598377
Energy: 0.20237537351156082
Energy: 0.7225438031598377

minimum gb energy = -0.18192330724642577 eV
minimum distance =  2.2571817924275 Angstroms
sigma value = 25


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

Energy: 0.5378456132571956
Energy: 0.8020442851432463
Energy: -0.349246030863808
Energy: 0.8020442851460522
Energy: 0.4046264939207748
Energy: 0.8449658076795885
Energy: 0.2980997182052627
Energy: 0.8449658076786531
Energy: 0.47409906003727537
Energy: 0.5195831968324213
Energy: -0.29457215897954286
Energy: 0.5195831968324213
Energy: 0.09825128753009525
Energy: 0.7336312102202305
Energy: 0.3036567599178149
Energy: 0.7336312080680468
Energy: 0.32142488710745587
Energy: 0.8433362461537202
Energy: -0.09556991728431466
Energy: 0.8433362461527848
Energy: -0.18275589332455783
Energy: 0.8407467528613142
Energy: 0.318743732641761
Energy: 0.8407467528631849
Energy: 0.30305290933067275
Energy: 0.6265288709425639
Energy: 0.0626499507968285
Energy: 0.6265288709444345
Energy: -0.4553820944034612
Energy: 0.7595134632227631
Energy: 0.47360972507726085
Energy: 0.7595134632171511
Energy: 0.305666576999259
Energy: 0.8521672660965041
Energy: 0.33463339590412755
Energy: 0.8521672660946333
Energy: -0.4113371248195568
Energy: 0.833148670832204
Energy: 0.37612671109226764
Energy: 0.8331486708312685
Energy: 0.30072586629631104
Energy: 0.6061593667238727
Energy: 0.21793737824301243
Energy: 0.6061593669005677
Energy: -0.3313137633332861
Energy: 0.8852194937455269
Energy: 0.47429262080878
Energy: 0.8852194937455269
Energy: 0.3054938511626937
Energy: 0.7407207891673635
Energy: 0.09905745578329651
Energy: 0.7407207891654928
Energy: 0.32819888001284053
Energy: 0.7883134610373128
Energy: 0.3231496736836117
Energy: 0.7883134611027445
Energy: 0.3189647662336303
Energy: 0.7165754376172105
Energy: -0.18312918236075235
Energy: 0.716575437620952
Energy: 0.05641811301961972
Energy: 0.8551370592013432
Energy: 0.27392848010432713
Energy: 0.8551370591985372
Energy: 0.4752240069231627
Energy: 0.7596098894271727
Energy: -0.37948752779038747
Energy: 0.7596098894281081
Energy: 0.4491942021943179
Energy: 0.8370687722066106
Energy: 0.30246303824167275
Energy: 0.8370687722038045
Energy: 0.5334175570930016
Energy: 0.8582753957751527
Energy: -0.41758231221764774
Energy: 0.8582753957742171
Energy: 0.38357670082260864
Energy: 0.854355813257197
Energy: 0.2585829575699389
Energy: 0.854355813257197
Energy: 0.47397009399031154
Energy: 0.8600604393509561
Energy: -0.45574813252825297
Energy: 0.8600604393387966
Energy: 0.05356281674498287
Energy: 0.7416212063772977
Energy: 0.2529625082079598
Energy: 0.7416212063744916
Energy: 0.31814685103939655
Energy: 0.8196822166694154
Energy: 0.30013158468154477
Energy: 0.8196822166694154
Energy: -0.1923662119385477
Energy: 0.8578743676777696
Energy: 0.30368180654818333
Energy: 0.8578743677029813
Energy: 0.2832390051651806
Energy: 0.8548581704616226
Energy: 0.03132070071512299
Energy: 0.8548581704644286
Energy: 0.049130311839210974
Energy: 0.7707104997488299
Energy: 0.4845094811578652
Energy: 0.7707104997507005

minimum gb energy = -0.45574813252825297 eV
minimum distance =  2.19386320267384 Angstroms
sigma value = 41


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

Energy: 0.6328394652027984
Energy: 0.6813542125349223
Energy: -0.8256564719955835
Energy: 0.6813542125310882
Energy: -0.04746633828038242
Energy: 0.6970160524379635
Energy: -0.17046493197507953
Energy: 0.6970160524402639
Energy: 0.24102447218642367
Energy: 0.6090458542521838
Energy: -0.8550596241723084
Energy: 0.6090458542544843
Energy: -0.2968515809541739
Energy: 0.6252940890959046
Energy: -0.36835272016640785
Energy: 0.625294089094371
Energy: 0.08585526153610418
Energy: 0.7048492196369828
Energy: -0.7981958572678967
Energy: 0.7048492191418205
Energy: -0.5822540019415404
Energy: 0.6229628001895046
Energy: -0.331655656117155
Energy: 0.622962800187971
Energy: -0.3530226207540861
Energy: 0.6953629284920944
Energy: -0.03934044522513588
Energy: 0.6953629284767577
Energy: -0.3371493661899719
Energy: 0.5129580268177497
Energy: -0.24783840687839412
Energy: 0.5129580233670209
Energy: 0.17954423617407508
Energy: 0.6648567660672898
Energy: -0.28038344944240406
Energy: 0.6648567660665579
Energy: -0.4242536682176329
Energy: 0.6023353940449897
Energy: 0.24969463917001863
Energy: 0.6023353940196843
Energy: -0.3918827558076279
Energy: 0.6935145037224283
Energy: -0.13322115505924406
Energy: 0.6935145037224283
Energy: -0.416846877350797
Energy: 0.6657179138503982
Energy: 0.4063708605648058
Energy: 0.6657179138503982
Energy: 0.17981079025667132
Energy: 0.6926761752877304
Energy: -0.04621633039281171
Energy: 0.692676175284663
Energy: -0.8234955974060733
Energy: 0.6998925809118167
Energy: 0.24199267611701644
Energy: 0.6998925809010812
Energy: -0.1248516243740853
Energy: 0.6880085814166788
Energy: -0.26300546225338767
Energy: 0.6880085814596211
Energy: -0.08041358596359674
Energy: 0.6757020274689352
Energy: -0.4408561474755381
Energy: 0.6757020274689352
Energy: 0.1785665363106222
Energy: 0.6559917172874664
Energy: -0.5569231659294632
Energy: 0.65599170493323
Energy: -0.45579640379099595
Energy: 0.7070515552461355
Energy: -0.1606971504594776
Energy: 0.7070515552453687
Energy: -0.31811615594308534
Energy: 0.5232747972002991
Energy: -0.13800747271757385
Energy: 0.523274797214102
Energy: 0.2528985215685595
Energy: 0.6700215402500883
Energy: -0.1359108112039783
Energy: 0.6700215402508551
Energy: 0.2593200072220116
Energy: 0.6646710135275331
Energy: -0.40616119723856836
Energy: 0.6646710135490043
Energy: -0.13117984382991185
Energy: 0.7201874475029089
Energy: -0.3599994214113861
Energy: 0.7201874475098103
Energy: 0.3389185215608912
Energy: 0.7112206951697985
Energy: -0.14281337196130214
Energy: 0.7112206951697985
Energy: -0.005627096547354531
Energy: 0.43385795091453594
Energy: 0.028663551754050758
Energy: 0.43385791666706397
Energy: 0.25582783137045534
Energy: 0.7113436172956148
Energy: -0.512108932505993
Energy: 0.7113436172718433
Energy: -0.2005046523948413
Energy: 0.7158720217324129
Energy: -0.2760420666033167
Energy: 0.7158720216204909
Energy: -0.3602446257105944
Energy: 0.6692470610021991
Energy: -0.0844412674532985
Energy: 0.6692470608887783
Energy: -0.5337127932703225
Energy: 0.648867441579251
Energy: 0.16929887239394836
Energy: 0.6488674415945876
Energy: 0.1841644092958151
Energy: 0.7125370246010122
Energy: -0.4860775544479728
Energy: 0.7125370246002453
Energy: -0.16935081758967677
Energy: 0.7165303111624456
Energy: -0.21098594337367138
Energy: 0.7165303111509431
Energy: -0.09584675377726307
Energy: 0.6765705006306877
Energy: 0.20937688011163125
Energy: 0.676570500629154
Energy: -0.2975396096375626
Energy: 0.6948305293824352
Energy: 0.2575265226946684
Energy: 0.6948305293793678

minimum gb energy = -0.8550596241723084 eV
minimum distance =  2.2334798655332 Angstroms
sigma value = 15


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

Energy: 0.2520977179795317
Energy: 0.6054038105411199
Energy: -1.681311455446704
Energy: 0.6054038105417695
Energy: -0.34311547840069384
Energy: -0.1619013695982662
Energy: -0.47815114981778933
Energy: -0.161359968719493
Energy: -0.5374325261922416
Energy: 0.5443048357879873
Energy: -0.7953272298402458
Energy: 0.5443048357873377
Energy: -0.572647316554745
Energy: -0.3930413175057635
Energy: -0.4523905967368495
Energy: -0.3159586830464358
Energy: -0.7390748163547418
Energy: 0.6107520704123283
Energy: -0.7155210261316561
Energy: 0.6107520704162259
Energy: -0.6891036902449487
Energy: 0.5848555235166487
Energy: -0.4880234153208571
Energy: 0.584855523506314
Energy: -0.20222472397245475
Energy: 0.5644802538023151
Energy: -0.48087879429579156
Energy: 0.5644802537614486
Energy: -0.9807999305930092
Energy: 0.6255321329293695
Energy: -0.4942902103130207
Energy: 0.6255321329189757
Energy: -0.32799642644914473
Energy: 0.6071584342723728
Energy: -0.6584922130529961
Energy: 0.6071584342749713
Energy: -0.903212415296248
Energy: -0.39280690916878447
Energy: -0.5607729020027266
Energy: 0.08908986265551666
Energy: 0.09450523235796725
Energy: -0.31212339771847974
Energy: -0.5483620947280125
Energy: -0.5365467681310387
Energy: -1.4284388835975026
Energy: 0.5277725260220281
Energy: 0.1579465741989284
Energy: 0.5277725273427475
Energy: -0.3271013772156458
Energy: 0.6083922484631392
Energy: -0.4196897323827847
Energy: 0.6083922484579423
Energy: -0.6182429645061059
Energy: 0.6011003975327862
Energy: 0.21532615615885775
Energy: 0.601100397531487
Energy: 0.08374846731462919
Energy: -0.34235641545683404
Energy: -0.4361877392423202
Energy: -0.5523234822713989
Energy: -0.8757127864117255
Energy: 0.5400603078232045
Energy: 0.15216275994833028
Energy: 0.5400603078264525
Energy: -0.6570339927969371
Energy: 0.6034905457797923
Energy: -0.5769388286698958
Energy: 0.6034905457797923
Energy: -0.6470554962369466
Energy: 0.6054791355942277
Energy: -0.6182612359377939
Energy: 0.6054791355896806
Energy: -0.48530339075115464
Energy: 0.57064361283379
Energy: -0.762671012294316
Energy: 0.5706436128383373
Energy: -0.4805778416432755
Energy: 0.5679497604567352
Energy: -0.4469711118675975
Energy: 0.5679497604593334
Energy: -0.3859617890964665
Energy: 0.3464546649003723
Energy: -0.9177126510579383
Energy: 0.3464546525171219
Energy: -0.33856222533584185
Energy: 0.6091760629324141
Energy: -0.5361931965659539
Energy: 0.6091760629265677
Energy: -0.5182687013764873
Energy: 0.5720141586158128
Energy: -0.8904145918413613
Energy: 0.5720141587749086
Energy: -0.5834326929141069
Energy: 0.5635616125765198
Energy: -0.3891019998613988
Energy: 0.5635616125934096
Energy: -0.37501293638861916
Energy: 0.5863872675578867
Energy: -1.2456423140217503
Energy: 0.5863872675701705
Energy: 0.06053733737659864
Energy: 0.6092220663398388
Energy: -0.699798173291162
Energy: 0.6092220664001935
Energy: 0.23878494785841325
Energy: 0.6009608418700794
Energy: -0.6196596352741414
Energy: 0.6009608418902174
Energy: -0.3712157504121799
Energy: 0.3114154752737974
Energy: -0.4551768192069073
Energy: 0.31141601104721334
Energy: -0.48392656217147884
Energy: 0.6295749991114612
Energy: -1.436691903952042
Energy: 0.6295749990913232
Energy: -0.41125515669024865
Energy: 0.605878635513036
Energy: -0.7316061694857007
Energy: 0.6058786355104375
Energy: -0.5432246161971075
Energy: 0.5983273312930976
Energy: -1.0598204398374946
Energy: 0.5983273313015425
Energy: -0.7610822685829041
Energy: -0.31803255867459923
Energy: -0.485056404174948
Energy: -0.31655826105258444
Energy: -0.7109357841923644
Energy: 0.6236100289921215
Energy: -0.8555785355649669
Energy: 0.6236100289934208
Energy: -0.5224427535555648
Energy: 0.34134524235793956
Energy: -0.6084878175880656
Energy: 0.341345212439074
Energy: -0.5412816760616466
Energy: 0.6035603258621386
Energy: -0.3160408992576205
Energy: 0.603560325864737
Energy: -1.1237104363539996
Energy: 0.033576597239634846
Energy: -0.5407943916544817
Energy: -0.26971394054064335
Energy: -0.8336709588314272
Energy: 0.6237436764690434
Energy: -0.5558623245880321
Energy: 0.6237436764690434

minimum gb energy = -1.681311455446704 eV
minimum distance =  2.23521442343713 Angstroms
sigma value = 85


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

Energy: 0.6341293495737266
Energy: 0.5408486374386896
Energy: -0.5988110817678117
Energy: 0.540848637426858
Energy: 0.5837940507346259
Energy: 0.35753674599667845
Energy: 0.09922075264630212
Energy: 0.35753674638074434
Energy: 0.5908847727743802
Energy: 0.503647770666385
Energy: -0.5036875840687401
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Energy: 0.23168826660122915
Energy: 0.541764776775026
Energy: 0.10099370898899558
Energy: 0.541764776775026
Energy: 0.21401384397151632
Energy: 0.4678451037226143
Energy: -0.445014542189804
Energy: 0.4678451037214875
Energy: 0.2865602996713892
Energy: 0.35579263857117543
Energy: 0.055200590510652674
Energy: 0.35579263275543427
Energy: 0.1193990272836168
Energy: 0.5294999670496138
Energy: -0.4058184056875613
Energy: 0.529499967051304
Energy: -0.014587314049808554
Energy: 0.35486322379125407
Energy: 0.10338539821121316
Energy: 0.3548595409708826
Energy: 0.08086694754018305
Energy: 0.486588360810576
Energy: -0.023305117294209487
Energy: 0.48658836086745477
Energy: -0.10378395927078404
Energy: 0.5109150197674471
Energy: 0.12179686694936306
Energy: 0.5109150197708275
Energy: 0.05647623852259344
Energy: 0.5091249598227126
Energy: 0.01242034680622119
Energy: 0.50912495978668
Energy: -0.4036171755847856
Energy: 0.365640176613963
Energy: 0.2131923054771524
Energy: 0.3656401199083545
Energy: 0.14590739422773852
Energy: 0.49691529989004285
Energy: 0.4880706453858413
Energy: 0.4969153035043903
Energy: -0.9004854386925761
Energy: 0.5412776449688943
Energy: 0.4197108205220588
Energy: 0.5412776449694576
Energy: 0.0749979973280431
Energy: 0.5255738406264298
Energy: 0.6829538213465457
Energy: 0.525573840450723
Energy: -0.4040733641547068
Energy: 0.522370340454144
Energy: 0.5744276554227753
Energy: 0.522370340451327
Energy: 0.15477014862568658
Energy: 0.48676503536895277
Energy: 0.5981382983504263
Energy: 0.48676503536895277
Energy: -0.7922794426944572
Energy: 0.5138347664219465
Energy: 0.3482655528319468
Energy: 0.5138347660085832
Energy: 0.11444810694548374
Energy: 0.5257848869480142
Energy: 0.3827377117071297
Energy: 0.5257848869440704
Energy: -0.348865117000185
Energy: 0.5352064885071144
Energy: 0.21097055447700525
Energy: 0.5352065088084413
Energy: 0.09723199015413976
Energy: 0.4869855833049675
Energy: -0.04484798321402023
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Energy: -0.2565179205355445
Energy: 0.33619204840480577
Energy: 0.12263769345823604
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Energy: 0.07921937978182836
Energy: 0.33641225060952445
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Energy: 0.3953422909661335
Energy: -0.10523057073151154
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Energy: -0.02514204006988429
Energy: 0.3234155920179371
Energy: 0.07292212602953257
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Energy: 0.1683972611945417
Energy: 0.5270560768062711
Energy: -0.26718156107337804
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Energy: 0.2829633038770058
Energy: 0.5434284861937052
Energy: 0.10080323953639682
Energy: 0.5434284861970856
Energy: 0.6053746156800934
Energy: 0.5086111078162124
Energy: -0.9581832204280428
Energy: 0.5086111077615872
Energy: 0.6832051861802304
Energy: 0.3480351350874871
Energy: 0.07671140678778701
Energy: 0.34803554509889173
Energy: 0.6348547517738231
Energy: 0.5234514039476074
Energy: -0.45259894192764594
Energy: 0.5234514039487342
Energy: 0.627188770689742
Energy: 0.5447755917728482
Energy: 0.0994387768296372
Energy: 0.5447755918026832
Energy: 0.6056920182401384
Energy: 0.5187411762078172
Energy: -0.9700660252227697
Energy: 0.5187411761977014
Energy: 0.47423665464962184
Energy: 0.36487359319263624
Energy: 0.07510481735960173
Energy: 0.36487269668099775
Energy: 0.21463083587943182
Energy: 0.5389885215625292
Energy: -0.12201571941769972
Energy: 0.5389885226612541
Energy: 0.13024648190685392
Energy: 0.5397494393586307
Energy: 0.10379417483969429
Energy: 0.5397494393569404
Energy: 0.0968651673252066
Energy: 0.5215849277091973
Energy: -0.11084786220395103
Energy: 0.5215849277120144
Energy: 0.1379134940561338
Energy: 0.5285277456115601
Energy: 0.07771971579283109
Energy: 0.5285277456115601
Energy: 0.11782794563400466
Energy: 0.5842131044507544
Energy: 0.08964090005718588
Energy: 0.5842131044530081
Energy: -0.2502546072575671
Energy: 0.5564818483421303
Energy: 0.08079620725639024
Energy: 0.5564818483449474
Energy: 0.04868360252313574
Energy: 0.5284417475161247
Energy: 0.3669238782915203
Energy: 0.5284417475149978
Energy: -0.38212823107495864
Energy: 0.507718248508243
Energy: 0.16808500101244872
Energy: 0.507718247384728
Energy: 0.1162791188586975
Energy: 0.5309087131299735
Energy: 0.4497978907263997
Energy: 0.5309087131327904

minimum gb energy = -0.9700660252227697 eV
minimum distance =  2.23895491554639 Angstroms
sigma value = 113


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

Energy: 0.016014202037971874
Energy: 0.01670244049052134
Energy: 0.48069350524288607
Energy: 0.01670244049095446
Energy: 0.4806855655763692
Energy: -5.401380366000276
Energy: -5.40304832813707
Energy: -5.401380366000276
Energy: 0.016014202037971874
Energy: 0.016702440490112287
Energy: -1.346749104533615
Energy: 0.016702440490112287
Energy: 0.4806855655755029
Energy: -5.401380366000708
Energy: -5.403048328137478
Energy: -5.401380366000708
Energy: 0.016014202037971874
Energy: 0.016702440489679164
Energy: -1.3422236384845294
Energy: 0.01670244049052134
Energy: 0.4806855655755029
Energy: -5.401380366001118
Energy: -5.403048328136228
Energy: -5.401380365999433

minimum gb energy = -5.403048328137478 eV
minimum distance =  2.45389585271915 Angstroms
sigma value = 1