Model name: model_name=EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147414512932301
cohesive_energy=6.897751515014914
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: -0.03216188 eV

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

Energy: 0.01991021297943798
Energy: 0.020059759313825042
Energy: 0.02084511450860908
Energy: 0.02084511450860908
Energy: 0.02084511450860908
Energy: 0.020059759313825042
Energy: 0.01991021297943798
Energy: 0.020059759311918134
Energy: 0.02084511450860908
Energy: 0.02084511450860908
Energy: 1.4581305403912501
Energy: 0.02042930087969853
Energy: 0.020243554919850526
Energy: 1.4514249373920096
Energy: 0.020243554921757435
Energy: 0.02042930087969853
Energy: 1.4581305403912501
Energy: 0.02042930087969853
Energy: 0.020243554921757435
Energy: 1.4514249373920096
Energy: 0.019910212981344887
Energy: 0.020059759313825042
Energy: 0.02084511450860908
Energy: 0.02084511450860908
Energy: 0.02084511450860908
Energy: 0.020059759313825042
Energy: 0.019910212981344887
Energy: 0.020059759313825042
Energy: 0.02084511450860908
Energy: 0.02084511450860908
Energy: 1.4581305403912501
Energy: 0.02042930087969853
Energy: 0.020243554919850526
Energy: 1.4514249373920096
Energy: 0.020243554921757435
Energy: 0.02042930087969853
Energy: 1.4581305403912501
Energy: 0.02042930087969853
Energy: 0.020243554921757435
Energy: 1.4514249373901027
Energy: 0.01991021297943798
Energy: 0.020059759311918134
Energy: 0.02084511450860908
Energy: 0.02084511450860908
Energy: 0.020845114506702168
Energy: 0.020059759313825042
Energy: 0.01991021297943798
Energy: 0.020059759311918134
Energy: 0.02084511450860908
Energy: 0.02084511450860908
Energy: 1.4581305403912501
Energy: 0.02042930087969853
Energy: 0.020243554919850526
Energy: 1.4514249373920096
Energy: 0.020243554921757435
Energy: 0.02042930087969853
Energy: 1.458130540393157
Energy: 0.02042930087969853
Energy: 0.020243554921757435
Energy: 1.4514249373920096
Energy: 0.019910212981344887
Energy: 0.020059759311918134
Energy: 0.02084511450860908
Energy: 0.02084511450860908
Energy: 0.02084511450860908
Energy: 0.020059759313825042
Energy: 0.019910212981344887
Energy: 0.020059759313825042
Energy: 0.02084511450860908
Energy: 0.02084511450860908

minimum gb energy = 0.01991021297943798 eV
minimum distance =  2.72363409119664 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 2.4531762934294314
Energy: 2.214694328067732
Energy: 2.1951649332769745
Energy: 2.2316563309396487
Energy: 2.1951388818141364
Energy: 2.2156610137927943
Energy: 2.4531762934289647
Energy: 2.2146943280681985
Energy: 2.195164933278843
Energy: 2.2316563309368456
Energy: 2.2078713049028242
Energy: 2.157664907564615
Energy: 2.1862165020230577
Energy: 2.193961970466506
Energy: 2.064691166100038
Energy: 2.118046744222756
Energy: 2.2078713049014222
Energy: 2.1576649075660588
Energy: 2.186216502024926
Energy: 2.1939619704651045
Energy: 2.2055662376524037
Energy: 2.124759456984338
Energy: 2.092811728823273
Energy: 2.1643580639346633
Energy: 2.1472091771745503
Energy: 2.080898593529532
Energy: 2.2055662376496015
Energy: 2.124759456983913
Energy: 2.0928117288191115
Energy: 2.1643580639384004
Energy: 1.9938776124941011
Energy: 2.0837273411273687
Energy: 1.9966647287013892
Energy: 2.035852627373581
Energy: 2.10257941874487
Energy: 2.1244163543339316
Energy: 1.9938776124955446
Energy: 2.0837273411226978
Energy: 1.9966647286995207
Energy: 2.035852627371713
Energy: 2.059506736688879
Energy: 2.1146729363540437
Energy: 2.033647399976974
Energy: 2.039341446873798
Energy: 2.043908972455777
Energy: 2.0304500749726193
Energy: 2.059506736690238
Energy: 2.1146729363540437
Energy: 2.033647399976464
Energy: 2.0393414468752415
Energy: 2.0575415174818126
Energy: 2.0881519395581734
Energy: 2.074692177849712
Energy: 2.054568123999393
Energy: 2.086056495912711
Energy: 2.092298390998579
Energy: 2.0716408983654664
Energy: 2.088151939555371
Energy: 2.074692177849202
Energy: 2.0545681240003275
Energy: 2.0335411111408046
Energy: 1.9971144300097574
Energy: 2.068258875292623
Energy: 2.0280898992329712
Energy: 2.0785559442408954
Energy: 2.0872122014488417
Energy: 2.033541111144116
Energy: 1.9971144300106918
Energy: 2.068258875298228
Energy: 2.028089899233438
Energy: 2.1405404745677084
Energy: 2.1949173618133324
Energy: 2.1300567202467287
Energy: 2.1079498661273557
Energy: 2.1101898221388833
Energy: 2.2251951456713357
Energy: 2.167388665668138
Energy: 2.194917361816135
Energy: 2.0554724924058236
Energy: 2.107949866129691
Energy: 2.14135469045061
Energy: 2.1864984543871313
Energy: 2.1164324943870696
Energy: 2.262038038735528
Energy: 2.0409009539733334
Energy: 2.2562827491513757
Energy: 2.1413546904496763
Energy: 2.186498454389934
Energy: 2.1164324943889383
Energy: 2.2620380387341266
Energy: 2.2049227907170104
Energy: 2.147568279963174
Energy: 2.1744547630157665
Energy: 2.2013649916475293
Energy: 2.137493778411522
Energy: 2.417980471670816
Energy: 2.2049227907193036
Energy: 2.1475682799655096
Energy: 2.1744547630138986
Energy: 2.201364991645661
Energy: 2.081383123803399
Energy: 2.068980277357593
Energy: 2.1056239963270027
Energy: 2.0279184958678593
Energy: 2.137378871795181
Energy: 2.1484736886777998
Energy: 2.0813831238029747
Energy: 2.068980277357593
Energy: 2.1056239963292955
Energy: 2.027918495870619
Energy: 2.1143272089899856
Energy: 2.0420507495573603
Energy: 2.1251653977333183
Energy: 2.1017019783213406
Energy: 2.0360913657767408
Energy: 2.09466710401717
Energy: 2.1143272089913445
Energy: 2.0420507495560014
Energy: 2.1251653977328084
Energy: 2.101701978326946
Energy: 2.054414924192916
Energy: 2.0373482648722447
Energy: 2.096591369139105
Energy: 2.060335497369645
Energy: 2.0748717904521077
Energy: 2.113531710676937
Energy: 2.0544149241919816
Energy: 2.0373482648750474
Energy: 2.0965913691424176
Energy: 2.0603354973719377
Energy: 2.060677228986395
Energy: 2.0965913691400395
Energy: 2.0374591935399504
Energy: 2.0556737827607963
Energy: 2.1136844732464697
Energy: 2.0748655141893835
Energy: 2.060677228984102
Energy: 2.0965913691405493
Energy: 2.0374591935431776
Energy: 2.0556737827612204
Energy: 2.101660546710838
Energy: 2.1249684057352374
Energy: 2.042079182970746
Energy: 2.1143221923063336
Energy: 2.094667126744804
Energy: 2.0365389870159856
Energy: 2.1016605467113045
Energy: 2.124968405734813
Energy: 2.0420791829665
Energy: 2.11432219231007
Energy: 2.027975576290212
Energy: 2.1053847387405185
Energy: 2.0663802516308367
Energy: 2.0814680224739366
Energy: 2.1484856427973895
Energy: 2.1369504849773726
Energy: 2.0279755762864755
Energy: 2.105384738741453
Energy: 2.0663802516294356
Energy: 2.081468022477249
Energy: 2.201110372029126
Energy: 2.1801702952123216
Energy: 2.1475130925773165
Energy: 2.1849797379137708
Energy: 2.417980627195009
Energy: 2.178070082928354
Energy: 2.2011103720319283
Energy: 2.180170295215549
Energy: 2.1475130925749815
Energy: 2.1596241166429286
Energy: 2.268645462999182
Energy: 2.116461833828979
Energy: 2.186331438338135
Energy: 2.1415053079448336
Energy: 2.256196079670997
Energy: 2.0406823233683347
Energy: 2.2686454629996486
Energy: 2.11646183382711
Energy: 2.1863314383395367
Energy: 2.141505307945768
Energy: 2.107998007558896
Energy: 2.0688745427793287
Energy: 2.1948215639045663
Energy: 2.108118895761484
Energy: 2.225218545090766
Energy: 2.1099664119052606
Energy: 2.107998007558896
Energy: 2.068874542780688
Energy: 2.1948215639059674
Energy: 2.1081188957619936
Energy: 2.0279860081431593
Energy: 2.107850661077519
Energy: 1.9968768515965842
Energy: 2.0334661673405643
Energy: 2.087491452039424
Energy: 2.078500789852361
Energy: 2.0279860081408243
Energy: 2.107850661077519
Energy: 1.9968768515970514
Energy: 2.0334661673419228
Energy: 2.0549154471407727
Energy: 2.0746948976749566
Energy: 2.0881416162553688
Energy: 2.0541519529019845
Energy: 2.092299759309408
Energy: 2.1243718766343753
Energy: 2.054915447143575
Energy: 2.0746948976801374
Energy: 2.0881416162544344
Energy: 2.031462241938523
Energy: 2.0392765837710516
Energy: 2.033265598065583
Energy: 2.114690232913489
Energy: 2.0595330566828647
Energy: 2.0304500749819616
Energy: 2.043649625371338
Energy: 2.0392765837691833
Energy: 2.033265598065583
Energy: 2.114690232912979
Energy: 2.059533056682355
Energy: 2.0357661088179912
Energy: 1.996813634200098
Energy: 2.0840414623905743
Energy: 1.9938523003901434
Energy: 2.1243996822508966
Energy: 2.1025214056574915
Energy: 2.0357661088217283
Energy: 1.9968136342038345
Energy: 2.0840414623961796
Energy: 1.993852300388785
Energy: 2.164358063948252
Energy: 2.0928084041458277
Energy: 2.1191678500323796
Energy: 2.2055593530700173
Energy: 2.12562195014768
Energy: 2.14721788831373
Energy: 2.1643580639430713
Energy: 2.092808404147696
Energy: 2.095604060197602
Energy: 2.205559353073287
Energy: 2.1966769250447062
Energy: 2.1861841327752987
Energy: 2.1577128261743335
Energy: 2.207615387558681
Energy: 2.1179965609429434
Energy: 2.0658485697076947
Energy: 2.196676925041904
Energy: 2.186184132771562
Energy: 2.1577128261766263
Energy: 2.207615387558213
Energy: 2.2322955861972775
Energy: 2.1951388818146036
Energy: 2.2156610137951303
Energy: 2.4531762934289647
Energy: 2.2146943280574556
Energy: 2.195164933282112
Energy: 2.232295586194475
Energy: 2.1951388818146036
Energy: 2.2156610137927943
Energy: 2.453176293428031
Energy: 2.1939619704739792
Energy: 2.0646911661014395
Energy: 2.118046744225983
Energy: 2.2078713049116985
Energy: 2.157664907563681
Energy: 2.1862165020263276
Energy: 2.193961970473512
Energy: 2.0646911661037746
Energy: 2.1180467442218216
Energy: 2.207871304909363
Energy: 2.1643580639417124
Energy: 2.1472091771586688
Energy: 2.080898593542611
Energy: 2.205566237650068
Energy: 2.124759456979242
Energy: 2.0928117288200463
Energy: 2.1643580639477418
Energy: 2.1472091771619386
Energy: 2.080898593540743
Energy: 2.2055662376467984
Energy: 2.0358526273670416
Energy: 2.102579418736462
Energy: 2.124416354339961
Energy: 1.9938776124931668
Energy: 2.0837273411385784
Energy: 1.9966647287065273
Energy: 2.0358526273698443
Energy: 2.1025794187392646
Energy: 2.1244163543408954
Energy: 1.9938776124946105

minimum gb energy = 1.993852300388785 eV
minimum distance =  2.35951651986137 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.742884749402204
Energy: 2.1611363215039456
Energy: 2.1517413502788023
Energy: 2.1284092663346414
Energy: 2.308562089154043
Energy: 2.344239473081405
Energy: 2.7428847493953663
Energy: 2.161136321515342
Energy: 2.1517413502765232
Energy: 2.128409266341479
Energy: 2.1719100030137826
Energy: 2.032956678060282
Energy: 2.1707387719757856
Energy: 2.224465471935403
Energy: 2.1011428722648615
Energy: 2.129461511747312
Energy: 2.171910003009224
Energy: 2.0170826513635793
Energy: 2.1707387719757856
Energy: 2.302540492472768
Energy: 2.074239292861916
Energy: 2.0701993808841976
Energy: 2.127538625554725
Energy: 2.0722322530804242
Energy: 2.064450256450338
Energy: 2.064001841674444
Energy: 2.074239292864195
Energy: 2.07019938087736
Energy: 2.127538625561563
Energy: 2.0722322530804242
Energy: 2.064865387407412
Energy: 2.0577609505648784
Energy: 2.035072701788892
Energy: 2.076001115992696
Energy: 2.0824099395843847
Energy: 2.0824167755842797
Energy: 2.0648653874028535
Energy: 2.0577609505625993
Energy: 2.0350727017843333
Energy: 2.076001115988138
Energy: 2.057290733541831
Energy: 2.073997727557099
Energy: 2.0803495142262527
Energy: 2.1001545401114794
Energy: 2.0519377578746036
Energy: 2.1511854983570173
Energy: 2.0572907335440687
Energy: 2.0739977275593784
Energy: 2.0803495142216946
Energy: 2.100154540113759
Energy: 2.1276442012312917
Energy: 2.2715999145471835
Energy: 2.1253491829376308
Energy: 2.206363054303369
Energy: 2.2727967802105526
Energy: 2.3354227790052193
Energy: 2.1276442012267336
Energy: 2.2715999145471835
Energy: 2.1253491829353517
Energy: 2.2063630542988104
Energy: 2.361875551834631
Energy: 2.199453987644783
Energy: 2.1679117730594126
Energy: 2.172593006931594
Energy: 2.1435423108842397
Energy: 2.305524736973633
Energy: 2.36187555183691
Energy: 2.1994539876470625
Energy: 2.1679117730616917
Energy: 2.172593006927036
Energy: 2.273983590235582
Energy: 2.1853822496535678
Energy: 2.0700305392576652
Energy: 2.274029960420441
Energy: 2.329417209980218
Energy: 2.1001309104006793
Energy: 2.273983590235582
Energy: 2.1853822496581268
Energy: 2.070030539255386
Energy: 2.2740299604295164
Energy: 2.0640616705361214
Energy: 2.0740845069149385
Energy: 2.069796291699035
Energy: 2.036512753599077
Energy: 2.0707330406240474
Energy: 2.063103369098063
Energy: 2.064061670531563
Energy: 2.0740845069126594
Energy: 2.069796291696756
Energy: 2.0365127535922394
Energy: 2.0822095235637526
Energy: 2.0765465681400337
Energy: 2.0649049663212393
Energy: 2.081373126216594
Energy: 2.122686099702476
Energy: 2.0705818582074533
Energy: 2.0822095235569154
Energy: 2.0765465681400337
Energy: 2.0649049663235184
Energy: 2.0813731262074775
Energy: 2.0568408552910338
Energy: 2.124077825309865
Energy: 2.0958276751496103
Energy: 2.1721524205029215
Energy: 2.1023053779078134
Energy: 2.0518491011592315
Energy: 2.0568408552887547
Energy: 2.1240778253167023
Energy: 2.0958276751496103
Energy: 2.1721524205006424
Energy: 2.331745498327124
Energy: 2.271035557887891
Energy: 2.2766491017507064
Energy: 2.1421250112983463
Energy: 2.137796595198651
Energy: 2.1278412632961885
Energy: 2.3317454983339614
Energy: 2.271035557885612
Energy: 2.2766491017484274
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Energy: 2.1141787379055867
Energy: 2.0681275039789884
Energy: 2.2272446793015876
Energy: 2.2713399940041636
Energy: 2.1720828149626006
Energy: 2.1543107076458856
Energy: 2.1141787379055867
Energy: 2.0681275039721507
Energy: 2.2272446793061467
Energy: 2.2713399940018846
Energy: 2.2889062033656837
Energy: 2.282727708629078
Energy: 2.097404602925653
Energy: 2.1250997574674844
Energy: 2.2971324275440144
Energy: 2.142120044597713
Energy: 2.2889062033702423
Energy: 2.282727708633636
Energy: 2.0974046029210944
Energy: 2.1250997574629262
Energy: 2.0492088293942787
Energy: 2.123767098018259
Energy: 2.090176457541041
Energy: 2.170167286340282
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Energy: 2.0712857255640693
Energy: 2.049208829401116
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Energy: 2.090176457536483
Energy: 2.170167286340282
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Energy: 2.0775075549794058
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Energy: 2.0208450929866384
Energy: 2.1201140268005436
Energy: 2.070096152786656
Energy: 2.0826870266094044
Energy: 2.0775075549839643
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Energy: 2.131404062737062
Energy: 2.050499746670028
Energy: 2.169116058518239
Energy: 2.0397372311136297
Energy: 2.2814839120251054
Energy: 2.099917578428696
Energy: 2.131404062737062
Energy: 2.050499746670028
Energy: 2.169116058518239
Energy: 2.0397372311136297
Energy: 2.128004451587908
Energy: 2.3320679858671847
Energy: 2.1591014651291154
Energy: 2.4403693958812305
Energy: 2.167971283609436
Energy: 2.047636323541384
Energy: 2.128004451587908
Energy: 2.3320679858626265
Energy: 2.1591014651313944
Energy: 2.440369395885789
Energy: 2.271879329922137
Energy: 2.2316159969955183
Energy: 2.0533117629628537
Energy: 2.3585323761036214
Energy: 2.4866668935662024
Energy: 2.335422551553948
Energy: 2.2718793299266955
Energy: 2.23161599699096
Energy: 2.0533117629628537
Energy: 2.3585323761036214
Energy: 2.130562273442171
Energy: 2.1002622069386443
Energy: 2.2811969287680154
Energy: 2.0405185529683196
Energy: 2.16911605851596
Energy: 2.056674861549739
Energy: 2.1305622734444505
Energy: 2.100262206929528
Energy: 2.2811969287680154
Energy: 2.040518552963761
Energy: 2.0701543343596627
Energy: 2.1201140268028227
Energy: 2.1029404318389027
Energy: 2.0401601443111037
Energy: 2.0775075549839643
Energy: 2.082781141638202
Energy: 2.0701543343596627
Energy: 2.1201140268028227
Energy: 2.102940431834344
Energy: 2.0401601443088246
Energy: 2.0494580546144046
Energy: 2.0710413479295835
Energy: 2.0350192965901033
Energy: 2.170167286342561
Energy: 2.0749423507924
Energy: 2.13779107596618
Energy: 2.0494580546144046
Energy: 2.0710413479295835
Energy: 2.0350192965809866
Energy: 2.12407094192158
Energy: 2.2888003393539416
Energy: 2.1547100910855113
Energy: 2.049275382058165
Energy: 2.1694640015804976
Energy: 2.1728941474057692
Energy: 2.2825937333903767
Energy: 2.2888003393539416
Energy: 2.1547100910900694
Energy: 2.0492753820536067
Energy: 2.1694640015804976
Energy: 2.1140098197527206
Energy: 2.017463541911264
Energy: 2.170713912703611
Energy: 2.2936312911059598
Energy: 2.5068160776580415
Energy: 2.160344665150261
Energy: 2.1140098197527206
Energy: 2.0174635419158227
Energy: 2.17071391270589
Energy: 2.180745385504676
Energy: 2.3317333119995824
Energy: 2.272969294066019
Energy: 2.099932892543348
Energy: 2.1678847652873086
Energy: 2.368276246527492
Energy: 2.372522724924405
Energy: 2.3317333120040997
Energy: 2.272969294066019
Energy: 2.099932892543348
Energy: 2.1678847652941458
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minimum gb energy = 2.0170826513635793 eV
minimum distance =  2.2664017609915 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 2.135486203091526
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Energy: 2.197391737207172
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Energy: 2.1321164223247138
Energy: 2.159734757259637
Energy: 2.3318331743641108
Energy: 2.0395837998125717
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Energy: 2.252021320582909
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Energy: 2.1597347572529517
Energy: 2.335392058340301
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Energy: 2.163229076859766
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Energy: 2.0792577292403402
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Energy: 2.0293559664302023
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Energy: 2.087667714347636
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Energy: 2.1002016681561155
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Energy: 2.1596337933432457
Energy: 2.1723514404208886
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Energy: 2.06918377738921
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Energy: 2.1507141673783745
Energy: 2.1596337933429655
Energy: 2.353762335059993
Energy: 2.159455459004533
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Energy: 2.120183567487732
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Energy: 2.3743498703951613
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Energy: 2.1594554590081327
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Energy: 2.193862050597816
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Energy: 2.179525428917024
Energy: 2.0299279889815147
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Energy: 2.0299279889851145
Energy: 2.029249115490456
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Energy: 2.3020009012086873
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Energy: 2.162902643288045
Energy: 2.039305503347517
Energy: 2.030191999314645
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Energy: 2.2579191896548743
Energy: 2.094759602331407
Energy: 2.373109672903921
Energy: 2.1590930412773424
Energy: 2.130431570634102
Energy: 2.0900977537578016
Energy: 2.113913345543895
Energy: 2.0947596023298636
Energy: 2.3731096729020975
Energy: 2.1590930412773424
Energy: 2.1304315706294736
Energy: 2.304954111043975
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Energy: 2.1997311536874062
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Energy: 2.168806381396403
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Energy: 2.030427293913182
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Energy: 2.1648691330434393
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Energy: 2.3392801349692567
Energy: 2.0298016568330657
Energy: 2.0304272939157535
Energy: 2.179302031329271
Energy: 2.128837101328406
Energy: 2.029992811854444
Energy: 2.0306718740825334
Energy: 2.3417243943321737
Energy: 2.0329668123915794
Energy: 2.1841566836399897
Energy: 2.0864639419674558
Energy: 2.0299928118539303
Energy: 2.0306718740809906
Energy: 2.3417243943396535
Energy: 2.03296681239027
Energy: 2.139956357246862
Energy: 2.3568518784546324
Energy: 2.073431624306682
Energy: 2.0393446252119873
Energy: 2.130735682257775
Energy: 2.079384516441891
Energy: 2.1399563572437765
Energy: 2.3568518784525754
Energy: 2.0734316243064015
Energy: 2.039344625208107
Energy: 2.0459760320050098
Energy: 2.1699709623801833
Energy: 2.4075193148338263
Energy: 2.411660226971266
Energy: 2.2336872586255336
Energy: 2.151463929760605
Energy: 2.045976031997296
Energy: 2.1699709623760692
Energy: 2.407519314833312
Energy: 2.4116602269676664
Energy: 2.1298300191671733
Energy: 2.096196718378395
Energy: 2.130065390124331
Energy: 2.155019710925761
Energy: 2.1509225060311894
Energy: 2.1590546810680493
Energy: 2.1298300191638075
Energy: 2.0961967183778802
Energy: 2.130065390129754
Energy: 2.15501971092347
Energy: 2.015069312237413
Energy: 2.0949064778865742
Energy: 2.154580897431763
Energy: 2.034035298802304
Energy: 2.3426194667635047
Energy: 2.1077064926514604
Energy: 2.01506931223587
Energy: 2.0949064778837228
Energy: 2.154580897435082
Energy: 2.03403529880179
Energy: 2.029474838936658
Energy: 2.1889581174273847
Energy: 2.1164946410337
Energy: 2.079185730077034
Energy: 2.0858547987093976
Energy: 2.0293769308683496
Energy: 2.029474838933339
Energy: 2.1889581174314987
Energy: 2.116494641041928
Energy: 2.0791857300842334
Energy: 2.1256804568601466
Energy: 2.1714189945679006
Energy: 2.1178295359136365
Energy: 2.130061195500819
Energy: 2.0800367710043655
Energy: 2.1442868173035685
Energy: 2.125680456862998
Energy: 2.171418994562477
Energy: 2.1178295359048938
Energy: 2.1300611954995565

minimum gb energy = 2.01506931223587 eV
minimum distance =  2.3483454345142 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 2.105147333375461
Energy: 2.2216806903713664
Energy: 2.053559471192994
Energy: 2.045353479421892
Energy: 2.053855207070258
Energy: 2.2216402730173836
Energy: 2.1051473333763435
Energy: 2.221680690372249
Energy: 2.053559471192994
Energy: 2.045353479418401
Energy: 2.13288720298549
Energy: 2.04456867101118
Energy: 2.052456680466516
Energy: 2.0610382361776574
Energy: 1.913627540796472
Energy: 1.9331098832208056
Energy: 2.13288720298549
Energy: 2.044568671009414
Energy: 2.0524566804673987
Energy: 2.061038236175892
Energy: 1.9326629844114425
Energy: 2.253838106616019
Energy: 2.1757874076874173
Energy: 1.9343063212767024
Energy: 2.093955163833206
Energy: 2.156133568074175
Energy: 1.9326629844114425
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Energy: 1.9333419627584378
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Energy: 2.0551553686446726
Energy: 2.07782304964955
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Energy: 2.0778230496504326
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Energy: 2.243094048288197
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Energy: 1.9328904007791334
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Energy: 2.044042525217828
Energy: 1.9328820248215182
Energy: 1.9954492070981833
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Energy: 1.913682754817205
Energy: 2.0638643597291417
Energy: 2.063861367329615
Energy: 2.0596667890441194
Energy: 1.9954492070990661
Energy: 1.9332312115042634
Energy: 1.9136827548163222
Energy: 2.0638643597291417
Energy: 2.1056742553541223
Energy: 2.2430565513431433
Energy: 2.031212518301213
Energy: 2.052509363334691
Energy: 2.053400225490133
Energy: 2.158982664721398
Energy: 2.10567425535324
Energy: 2.2430565513431433
Energy: 2.031212518301213
Energy: 2.052509363333808
Energy: 2.077884637669413
Energy: 2.055234900897409
Energy: 2.0542459470010903
Energy: 2.243500986121021
Energy: 2.0953282015247168
Energy: 1.9350635670599028
Energy: 2.077884637671178
Energy: 2.055234900895644
Energy: 2.0542459470010903
Energy: 2.2435009861219037
Energy: 1.9330022943437577
Energy: 1.933182896132613
Energy: 2.1529158403485447
Energy: 1.9347355902107792
Energy: 1.913549534815676
Energy: 1.9331592327638165
Energy: 1.9330022943437577
Energy: 1.93318289613173
Energy: 2.1529158403485447
Energy: 1.9347355902098964
Energy: 1.934338953483205
Energy: 2.1757874076891826
Energy: 2.2538390933821457
Energy: 1.9326785669162088
Energy: 2.156133568070644
Energy: 2.0939254840679262
Energy: 1.9343389534823219
Energy: 2.1757874076891826
Energy: 2.2538390933830286
Energy: 1.9326785669162088
Energy: 2.0610445784506397
Energy: 2.052606063538091
Energy: 2.044479926711064
Energy: 2.13287650036106
Energy: 1.9330708644763104
Energy: 1.9137349216082362
Energy: 2.0610445784506397
Energy: 2.052606063538974
Energy: 2.044479926711064
Energy: 2.132876500359295
Energy: 2.045353479418401
Energy: 2.0538552070720235
Energy: 2.2216402730182665
Energy: 2.1051473333745783
Energy: 2.221680690368718
Energy: 2.0535594711956415
Energy: 2.045353479418401
Energy: 2.0538552070711407
Energy: 2.2216402730173836
Energy: 2.1051473333745783

minimum gb energy = 1.9134763448041432 eV
minimum distance =  2.28161400235504 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.365822437338067
Energy: 2.1949868402097352
Energy: 1.8123449763181216
Energy: 2.185114256481384
Energy: 1.812353462267586
Energy: 2.194974918584189
Energy: 2.3658224373347045
Energy: 2.1949868402131605
Energy: 1.8123449763181216
Energy: 2.1241138828055948
Energy: 2.011056595347552
Energy: 2.1163043403693647
Energy: 1.8121551909359581
Energy: 1.9597547173498282
Energy: 1.842157014556613
Energy: 1.8441768121036377
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Energy: 2.116304340366002
Energy: 1.8121551909359581
Energy: 1.9597547173498282
Energy: 1.9798956519223585
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Energy: 2.120087272323158
Energy: 1.842967612061445
Energy: 1.842628329204017
Energy: 2.119548749150549
Energy: 1.9798956519189337
Energy: 1.9799628982657327
Energy: 2.1200872723265825
Energy: 1.8429676120648701
Energy: 2.2158833934340723
Energy: 1.9744035146717023
Energy: 1.842756561298657
Energy: 1.8421655954127045
Energy: 1.950179739084149
Energy: 1.8121445973116654
Energy: 2.215883393437497
Energy: 1.974403514675127
Energy: 1.842756561295232
Energy: 1.8421655954127045
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Energy: 2.1291220498061234
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Energy: 1.8123208323838282
Energy: 2.1951147146080663
Energy: 1.9511863144074162
Energy: 2.129122049802698
Energy: 1.8128532287263743
Energy: 2.119591021589631
Energy: 2.010707531301286
Energy: 2.114654937690795
Energy: 1.812143534020534
Energy: 1.9773443024768307
Energy: 1.842178745158726
Energy: 2.119591021589631
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Energy: 2.122846926353385
Energy: 1.9799973442234202
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Energy: 1.844200809537399
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Energy: 1.8837510668659176
Energy: 1.8430307270514585
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Energy: 1.8430307270514585
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Energy: 1.951912718616181
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Energy: 1.8422232341227571
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Energy: 1.979594411512492
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Energy: 1.842220070116589
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Energy: 1.976903365615811
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Energy: 1.9769033656192359
Energy: 1.9750972665632986
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Energy: 1.9748475279481206
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Energy: 1.9748475279481206
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Energy: 1.8121201483293423
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Energy: 1.8420853615953654
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Energy: 1.909660633062296
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Energy: 1.8125503046456197
Energy: 1.9099773114905176
Energy: 1.842123360500799
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Energy: 1.842157750530575
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Energy: 2.3305393666122796
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Energy: 1.9509661597048726
Energy: 1.9709294476222916
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Energy: 2.138343761855121
Energy: 1.8837994107378255
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Energy: 1.8121953848503076
Energy: 1.9521103747233512
Energy: 1.84749613790501
Energy: 1.842722941945776
Energy: 1.8837994107412503
Energy: 2.118166463918219
Energy: 1.8121953848503076
Energy: 1.9521103747233512
Energy: 1.9782766304192774
Energy: 1.9823273284421221
Energy: 2.1278309080982662
Energy: 1.842258109565237
Energy: 1.8431749379265068
Energy: 2.1205368462489598
Energy: 1.9782766304158526
Energy: 1.9823273284421221
Energy: 2.1278309080982662
Energy: 1.842258109568662
Energy: 2.114526362569172
Energy: 2.011033149856619
Energy: 2.1195826268324476
Energy: 1.8421257217153117
Energy: 1.9733511259266863
Energy: 1.8119758912693806
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Energy: 2.0110331498531946
Energy: 2.1195826268324476
Energy: 1.8421257217153117
Energy: 2.2015304178990966
Energy: 1.9512681348699938
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Energy: 2.119099819349966
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Energy: 2.2015304178990966
Energy: 1.951268134863144
Energy: 2.194244834549951
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Energy: 1.8430247670191906
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Energy: 1.8422345022883362
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Energy: 2.120442853633702
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Energy: 1.8427836045700943
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Energy: 1.9820536587384872
Energy: 1.9821415948332277
Energy: 2.120442853633702
Energy: 1.8120819182252867
Energy: 2.216063283621604
Energy: 2.012234293920227
Energy: 1.8429963327800865
Energy: 1.8422318857060456
Energy: 1.949300827693004
Energy: 1.8120819182287116
Energy: 2.2160632836182415
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Energy: 2.1942402226827538
Energy: 1.95124850895407
Energy: 2.1911972398620243
Energy: 1.8126331078674855
Energy: 2.1189170905596577
Energy: 1.8123325284593634
Energy: 2.1942402226827538
Energy: 1.9512485089574951
Energy: 2.1911972398620243
Energy: 1.8421269004054905
Energy: 2.1195826268324476
Energy: 2.0107886678938693
Energy: 2.1145127588439614
Energy: 1.811981010054977
Energy: 1.9733496063148483
Energy: 1.8421269004020657
Energy: 2.1195826268324476
Energy: 2.0107886678938693
Energy: 2.1145127588439614
Energy: 1.8422931933312396
Energy: 2.127830908091416
Energy: 1.9822753817950693
Energy: 1.978300888513361
Energy: 2.1205368462489598
Energy: 1.8431694092447357
Energy: 1.8422931933278148
Energy: 2.127830908094841
Energy: 1.9822753817916443
Energy: 1.9783008885167859
Energy: 1.9520713274116954
Energy: 1.8123936879441789
Energy: 2.1183095598945942
Energy: 1.8837748630728812
Energy: 1.8427174160129625
Energy: 1.8475160272302134
Energy: 1.9520713274116954
Energy: 1.8123936879476037
Energy: 2.1183095598945942
Energy: 1.8837748630728812
Energy: 2.138265407988715
Energy: 1.8122292707859902
Energy: 1.9709554622438832
Energy: 1.950816906022933
Energy: 2.1295169096303708
Energy: 1.974203728086216
Energy: 2.138265407988715
Energy: 1.8122292707859902
Energy: 1.970955462240458
Energy: 1.950816906022933
Energy: 1.993632074569439
Energy: 1.8423070571313
Energy: 2.3305393666122796
Energy: 2.010843397852509
Energy: 2.114821088323359
Energy: 1.8166359445896956
Energy: 1.993632074566014
Energy: 1.8423070571313
Energy: 2.3305393666122796
Energy: 2.010843397852509

minimum gb energy = 1.8119758912693806 eV
minimum distance =  2.41007434518778 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 1.8973650480734965
Energy: 1.8715508698052388
Energy: 2.404895309603308
Energy: 1.9401995733909323
Energy: 1.9068163890164649
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Energy: 2.0442028648352135
Energy: 1.8973650480743096
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Energy: 1.912992246874689
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Energy: 1.8658824473720437
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Energy: 1.8157313459135087
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Energy: 1.8158302166856872
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Energy: 1.815731345915135
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Energy: 1.8661591804773172
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Energy: 1.8661591804748778
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Energy: 2.255458287659
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Energy: 1.8977982895863408
Energy: 1.854686236113009
Energy: 1.8658824473732634
Energy: 1.8548863019179136
Energy: 1.8990694246050361
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Energy: 2.2768780478227475
Energy: 1.8157377630726332
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Energy: 1.85488630191832
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Energy: 1.9129922468738758
Energy: 1.9025569589709486
Energy: 1.9293962053652456
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Energy: 1.937797125842541
Energy: 1.9379077525297326
Energy: 1.9025569589685092
Energy: 1.9293962053660587
Energy: 2.2365557731983463
Energy: 1.8714210623385288
Energy: 1.8713258053001063
Energy: 2.389204649902078
Energy: 1.9402797889687975
Energy: 1.8724319512849485
Energy: 2.1505382748737745
Energy: 1.9443155484784087
Energy: 1.8713258052996997
Energy: 2.3256626917881587
Energy: 1.94027978897205
Energy: 1.872431951288201
Energy: 1.8157313459131021
Energy: 1.8980712332621117
Energy: 1.854936901730274
Energy: 1.8725853951157718
Energy: 1.8158302166852809
Energy: 2.277363927609352
Energy: 1.8157313459122888
Energy: 1.8980712332629248
Energy: 1.8549369017274284
Energy: 1.8725853951182112
Energy: 1.8546936201445927
Energy: 1.8978253562624885
Energy: 1.872178073324074
Energy: 2.256024099358585
Energy: 1.8157589260191063
Energy: 1.8661591804777238
Energy: 1.8546936201458124
Energy: 1.8978253562677738
Energy: 1.87217807332692
Energy: 2.2560240993606175
Energy: 2.2746990688473296
Energy: 2.3775593550605327
Energy: 1.871293125824702
Energy: 1.9502399952517904
Energy: 1.9085220116903474
Energy: 1.8720545928949417
Energy: 2.2746990688473296
Energy: 2.377559355066225
Energy: 1.8712931258312069
Energy: 1.9502399952546363
Energy: 1.899426764412933
Energy: 1.8549433018306336
Energy: 2.1482993452440167
Energy: 1.8162116355001456
Energy: 2.128081874275199
Energy: 1.8712287691497034
Energy: 1.8994267644109004
Energy: 1.8549433018310404
Energy: 2.1482993452383248
Energy: 1.8162116355038045

minimum gb energy = 1.8033899685719297 eV
minimum distance =  2.42425140329845 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.2878344317833608
Energy: 2.007945307843463
Energy: 2.1688410649147563
Energy: 2.310424608923438
Energy: 2.1691963319553302
Energy: 2.0749493665661207
Energy: 2.2878344317855928
Energy: 2.0079453078389995
Energy: 2.16884106491922
Energy: 2.3104246089189737
Energy: 2.3061934352494036
Energy: 2.172819333507135
Energy: 1.9576975861810644
Energy: 2.0372852614733454
Energy: 1.9964202088405427
Energy: 2.0226981024589574
Energy: 2.306193435247172
Energy: 2.1728193335115984
Energy: 1.9576975861832964
Energy: 2.037285261459954
Energy: 2.044509380659285
Energy: 1.9636714757652667
Energy: 2.0724097395795478
Energy: 2.259255343696198
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Energy: 2.2592553436895026
Energy: 2.0913713001886842
Energy: 1.9639979729577293
Energy: 2.0175158992265256
Energy: 2.0026719883335327
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Energy: 2.2462529768476225
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Energy: 1.9639979729488017
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Energy: 2.00257932704345
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Energy: 1.9637556692150722
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Energy: 2.2739976565756854
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Energy: 2.002717511492329
Energy: 2.017277066236381
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Energy: 2.25663188136393
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Energy: 2.023439975493577
Energy: 1.996539857500784
Energy: 2.0334176192292395
Energy: 1.957648173621019
Energy: 2.2492132664701434
Energy: 2.1684390403217595
Energy: 2.1231852026000695
Energy: 2.1681650107557395
Energy: 2.2265701271595897
Energy: 2.2128219073493423
Energy: 2.17100208844279
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Energy: 2.2265701271595897
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Energy: 2.0373421006560912
Energy: 1.9963755247527046
Energy: 2.0071664481874394
Energy: 2.027965577318352
Energy: 2.231762102696694
Energy: 1.9580313291657785
Energy: 2.0373421006583228
Energy: 1.9963755247527046
Energy: 2.0071664481785123
Energy: 2.025154964836957
Energy: 2.229873437502466
Energy: 1.9992714370731368
Energy: 2.0043269961798513
Energy: 2.0169817843702162
Energy: 1.9632567146324853
Energy: 2.025154964832493
Energy: 2.2298734375113933
Energy: 1.9992714370619775
Energy: 2.0043269961798513
Energy: 2.0183436648990214
Energy: 2.205208359068437
Energy: 2.0667414133367457
Energy: 2.0045511889363157
Energy: 2.176375148977182
Energy: 1.9644755585170612
Energy: 2.0183436648990214
Energy: 2.205208359068437
Energy: 2.0667414133367457
Energy: 2.0045511889318517
Energy: 1.9784653988284708
Energy: 2.2567708146653525
Energy: 2.0365934409443303
Energy: 2.0021558709648684
Energy: 1.9816128453335022
Energy: 1.963419701509977
Energy: 1.9784653988351668
Energy: 2.256770814669817
Energy: 2.0365934409554893
Energy: 2.002155870962677
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Energy: 2.378406918776136
Energy: 2.3115686327691414
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Energy: 1.9758476317605578
Energy: 2.1301001960492227
Energy: 2.1677890269983275
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Energy: 2.202160807811684
Energy: 2.040572438622811
Energy: 2.005098348711423
Energy: 1.9791193401049059
Energy: 1.9644949835936978
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Energy: 2.040572438618347
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Energy: 2.2120419950718273
Energy: 2.0183402498805263
Energy: 2.002165322976854
Energy: 2.0666575430451433
Energy: 2.2014634971972704

minimum gb energy = 1.9403010941051508 eV
minimum distance =  2.20752750054667 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.9958611898089806
Energy: 1.8638012177618186
Energy: 2.1278036910803535
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Energy: 1.9797873515112214
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Energy: 1.9804845877761703
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Energy: 1.9804845877761703
Energy: 1.8615397557707214
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Energy: 1.9515638787831482
Energy: 1.8618070520762418
Energy: 1.9395437627160386
Energy: 1.862840953631067
Energy: 2.263819489211612

minimum gb energy = 1.818405771165047 eV
minimum distance =  2.38540911969912 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 2.0404633456365455
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Energy: 2.14697897640133
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minimum gb energy = 1.9824507586022124 eV
minimum distance =  2.36187738764475 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.1038100863095743
Energy: 2.1505838532117134
Energy: 2.2350392707930555
Energy: 2.024033193253693
Energy: 2.237397421131742
Energy: 2.0571021317881426
Energy: 2.1038100863102422
Energy: 2.225131964222578
Energy: 2.025631800642117
Energy: 2.2141152260693797
Energy: 2.0633484597456446
Energy: 2.2431469818111966
Energy: 2.013588779209346
Energy: 2.076324293865669
Energy: 2.025631800642117
Energy: 2.214115226069046
Energy: 2.063348459743976
Energy: 2.1454077864420733
Energy: 2.023624891855229
Energy: 2.1095229625859386
Energy: 2.1635297926530312
Energy: 2.1385348585774775
Energy: 2.062435411905971
Energy: 2.1454077864420733
Energy: 2.023624891853227
Energy: 2.109522962586272
Energy: 2.1635297926523642
Energy: 2.072626671797467
Energy: 2.311674679970539
Energy: 2.084664712083197
Energy: 2.2142415937201685
Energy: 2.1996475492557606
Energy: 2.034138106184848
Energy: 2.072626671797467
Energy: 2.311674679970539
Energy: 2.0846647120825295
Energy: 2.2142415937205024
Energy: 2.072783278838779
Energy: 2.0765239759462966
Energy: 2.0679714508719935
Energy: 2.1545225110451622
Energy: 2.067482973986399
Energy: 2.12423594147103
Energy: 2.0727832788397804
Energy: 2.0765239759452956
Energy: 2.0679714508726605
Energy: 2.154522511044495
Energy: 2.0618591319201465
Energy: 2.2127693466806493
Energy: 2.211317158061336
Energy: 2.09510743463863
Energy: 2.3146696233104933
Energy: 2.2503515493973016
Energy: 2.0618591319201465
Energy: 2.21276934668165
Energy: 2.211317158062671
Energy: 2.0951074346382965
Energy: 2.06220772631113
Energy: 2.180061668838267
Energy: 2.1800695246986286
Energy: 2.0623390518895532
Energy: 2.056212982924357
Energy: 2.0562606621799246
Energy: 2.062207726311797
Energy: 2.1800616688375993
Energy: 2.1800695246976276
Energy: 2.0623390518898868
Energy: 2.095034211813524
Energy: 2.2112729699838347
Energy: 2.2127598463457163
Energy: 2.061859661287511
Energy: 2.2501990520556903
Energy: 2.0551927799796603
Energy: 2.095034211814191
Energy: 2.211272969984502
Energy: 2.2127598463463833
Energy: 2.0618596612871776
Energy: 2.15442511247154
Energy: 2.0679486909842675
Energy: 2.0741863565832372
Energy: 2.0725254925411583
Energy: 2.124366969678097
Energy: 2.067429517871127
Energy: 2.154425112471874
Energy: 2.0679486909862694
Energy: 2.0741863565832372
Energy: 2.0725254925414918
Energy: 2.2142819604860495
Energy: 2.0846497137851383
Energy: 2.3116746799728745
Energy: 2.072577146394036
Energy: 2.034130253628035
Energy: 2.1996475492517877
Energy: 2.2142819604853825
Energy: 2.0846497137861393
Energy: 2.311674679972541
Energy: 2.072577146394703
Energy: 2.163533468107813
Energy: 2.109498474467963
Energy: 2.0233641270430254
Energy: 2.145337935681533
Energy: 2.062349994799953
Energy: 2.138464855947578
Energy: 2.1635334681081466
Energy: 2.1094984744689635
Energy: 2.023364127042692
Energy: 2.145337935681533

minimum gb energy = 2.0135358907109464 eV
minimum distance =  2.34999395496327 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.827658521434271
Energy: 1.8533323046250183
Energy: 1.85543678595623
Energy: 2.6614142433186223
Energy: 1.855887114665012
Energy: 1.853507897873357
Energy: 1.8276585214348742
Energy: 1.8533323046280332
Energy: 1.855436785955024
Energy: 2.293115399944402
Energy: 1.8547625115337738
Energy: 1.8547625115337738
Energy: 1.8555744762369246
Energy: 2.052807170236458
Energy: 2.336213981268046
Energy: 1.8540940742586667
Energy: 1.8547625115343769
Energy: 1.8547625115343769
Energy: 1.8555744762357185
Energy: 1.8550099371860953
Energy: 1.887510350379515
Energy: 1.8270319122843934
Energy: 2.333342099560339
Energy: 1.8270716210221043
Energy: 1.8548782737567875
Energy: 1.853362061507417
Energy: 1.887510350378309
Energy: 1.8270319122843934
Energy: 2.3333420995585303
Energy: 1.8270716210227071
Energy: 2.3363997388132556
Energy: 1.8270365985331245
Energy: 1.887518780437069
Energy: 1.8533628073056239
Energy: 1.8548764810850589
Energy: 1.8270505270437576
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Energy: 1.8270365985325214
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Energy: 1.854754034772776
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Energy: 2.336234409901486
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Energy: 1.8555708039015921
Energy: 1.8555708039015921
Energy: 1.854754034772776
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Energy: 1.8558871146644091
Energy: 2.174833310599874
Energy: 1.827658521434271
Energy: 1.8533323046250183
Energy: 1.855436785956833
Energy: 2.39044165538372
Energy: 1.8558871146644091
Energy: 2.1354923251399596
Energy: 1.8276585214348742
Energy: 1.8533323046298424
Energy: 2.336213981269855
Energy: 1.8540940742598726
Energy: 1.854762511533171
Energy: 1.854762511533171
Energy: 1.8555744762375277
Energy: 2.1881046932263724
Energy: 2.336213981269252
Energy: 1.8540940742568575
Energy: 1.8547625115337738
Energy: 1.8547625115337738
Energy: 1.8548782737573903
Energy: 1.853362061506814
Energy: 1.887510350379515
Energy: 1.8270319122849963
Energy: 2.333342099559736
Energy: 1.8270716210221043
Energy: 1.8548782737555813
Energy: 1.853362061507417
Energy: 1.887510350377706
Energy: 1.8270319122849963
Energy: 1.854876481086868
Energy: 1.8270505270449635
Energy: 2.336399738812653
Energy: 1.8270365985331245
Energy: 1.8875187804358906
Energy: 1.8533628073056239
Energy: 1.8548764810862648
Energy: 1.8270505270437576
Energy: 2.336399738812653
Energy: 1.8270365985319186
Energy: 2.3362344099008827
Energy: 2.1007635155626456
Energy: 1.8555708038991798
Energy: 1.8555708038991798
Energy: 1.854754034772776
Energy: 1.8542739925831337
Energy: 2.33623440990028
Energy: 2.142594230622932
Energy: 1.855570803900989
Energy: 1.855570803900989
Energy: 1.8554367859556269
Energy: 2.292871912846991
Energy: 1.8558871146644091
Energy: 1.9928778328365984
Energy: 1.827658521434271
Energy: 1.8533323046286363
Energy: 1.855436785955024
Energy: 2.2931153999456084
Energy: 1.8558871146644091
Energy: 2.0504223035785394
Energy: 1.8555744762357185
Energy: 1.9914407350398073
Energy: 2.336213981268046
Energy: 1.8540940742586667
Energy: 1.8547625115325677
Energy: 1.8547625115325677
Energy: 1.8555744762363215
Energy: 2.089802569939713
Energy: 2.33621398126684
Energy: 1.8540940742574608
Energy: 2.3333420995591334
Energy: 1.8270716210227071
Energy: 1.8548782737573903
Energy: 1.853362061506814
Energy: 1.8875103503789121
Energy: 1.8270319122843934
Energy: 2.3333420995579273
Energy: 1.8270716210221043
Energy: 1.8548782737555813
Energy: 1.853362061507417
Energy: 1.8875187804364661
Energy: 1.8533628073074329
Energy: 1.8548764810850589
Energy: 1.8270505270443607
Energy: 2.3363997388138587
Energy: 1.8270365985325214
Energy: 1.8875187804358906
Energy: 1.8533628073062267
Energy: 1.854876481085662
Energy: 1.8270505270437576
Energy: 1.8547540347733793
Energy: 1.8542739925837366
Energy: 2.336234409899677
Energy: 1.8534192642760536
Energy: 1.8555708038991798
Energy: 1.8555708038991798
Energy: 1.8547540347721734
Energy: 1.8542739925831337
Energy: 2.3362344099008827
Energy: 1.8534192642772598
Energy: 1.8276585214348742
Energy: 1.8533323046280332
Energy: 1.8554367859556269
Energy: 2.293115399944402
Energy: 1.855887114665012
Energy: 1.8872754878030957
Energy: 1.827658521434271
Energy: 1.8533323046256214
Energy: 1.855436785955024
Energy: 2.2931153999456084
Energy: 1.8547625115349797
Energy: 1.8547625115349797
Energy: 1.8555744762363215
Energy: 1.8882432425633862
Energy: 2.3362139812662366
Energy: 1.8540940742592695
Energy: 1.8547625115319648
Energy: 1.8547625115319648
Energy: 1.8555744762369246
Energy: 1.8882432425664013
Energy: 1.887510350377706
Energy: 1.8270319122849963
Energy: 2.333342099560339
Energy: 1.8270716210227071
Energy: 1.8548782737561842
Energy: 1.8533620615062107
Energy: 1.887510350378309
Energy: 1.8270319122849963
Energy: 2.333342099560339
Energy: 1.8270716210221043
Energy: 2.3363997388132556
Energy: 1.8270365985325214
Energy: 1.8875187804358906
Energy: 1.8533628073074329
Energy: 1.854876481086868
Energy: 1.8270505270443607
Energy: 2.336399738812653
Energy: 1.8270365985331245
Energy: 1.887518780437069
Energy: 1.8533628073062267
Energy: 1.8555708039003858
Energy: 1.8555708039003858
Energy: 1.8547540347733793
Energy: 1.8542739925819276
Energy: 2.336234409902089
Energy: 1.8534192642682144
Energy: 1.8555708038997831
Energy: 1.8555708038997831
Energy: 1.8547540347721734
Energy: 1.8542739925813245
Energy: 1.8558871146644091
Energy: 1.88727548780189
Energy: 1.8276585214354772
Energy: 1.8533323046310484
Energy: 1.85543678595623
Energy: 2.293115399944402
Energy: 1.855887114665012
Energy: 1.8872754878030957
Energy: 1.827658521434271
Energy: 1.8533323046286363
Energy: 2.3362139812650304
Energy: 1.8540940742586667
Energy: 1.8547625115343769
Energy: 1.8547625115343769
Energy: 1.8555744762357185
Energy: 1.888243242562783
Energy: 2.3362139812650304
Energy: 1.8540940742592695
Energy: 1.854762511533171
Energy: 1.854762511533171

minimum gb energy = 1.8270319122843934 eV
minimum distance =  2.46928983341382 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.4434504148543232
Energy: 2.255289753650626
Energy: 2.0786143100380343
Energy: 2.5222058044540896
Energy: 2.078647386722391
Energy: 2.255201567949607
Energy: 2.4434504148570566
Energy: 2.255289753650626
Energy: 2.0786143100407677
Energy: 2.5222058044540896
Energy: 2.2578072078693077
Energy: 2.115704082952184
Energy: 2.075904379399977
Energy: 2.084401096829062
Energy: 2.1905537901742
Energy: 2.0444395600996024
Energy: 2.2578072078693077
Energy: 2.115704082952184
Energy: 2.075904379399977
Energy: 2.084401096826329
Energy: 2.191221876132655
Energy: 2.0965457038119113
Energy: 2.331571250547787
Energy: 2.099561012523859
Energy: 2.0659954501954076
Energy: 2.1568352773002886
Energy: 2.1912218761299216
Energy: 2.0965457038146456
Energy: 2.3315712505505206
Energy: 2.0995610125211255
Energy: 2.2589556483787767
Energy: 2.055278406819682
Energy: 2.143655805880974
Energy: 2.0473221043671335
Energy: 2.170916544891192
Energy: 2.0444174105180553
Energy: 2.2589556483760425
Energy: 2.055278406819682
Energy: 2.1436558058782396
Energy: 2.0473221043671335
Energy: 2.187484331007884
Energy: 2.3371675682827626
Energy: 2.0383493340544225
Energy: 2.122124135812352
Energy: 2.044175660735205
Energy: 2.1103547008278816
Energy: 2.187484331007884
Energy: 2.3371675682772963
Energy: 2.038349334057156
Energy: 2.122124135812352
Energy: 2.1934665566072433
Energy: 2.2977587893806857
Energy: 2.162529300682996
Energy: 2.1003029150675694
Energy: 2.0581012987835448
Energy: 2.2966145369893383
Energy: 2.1934665566072433
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Energy: 2.1003029150703023
Energy: 2.131463231203832
Energy: 2.070004095575061
Energy: 2.0601193725773537
Energy: 2.2193373591112344
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Energy: 2.070004095575061
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Energy: 2.2193373591139682
Energy: 2.2531563254583946
Energy: 2.1191903899924203
Energy: 2.1865372984201907
Energy: 2.080916726874749
Energy: 2.112404253675039
Energy: 2.0807126206988267
Energy: 2.2531563254556612
Energy: 2.1191903899924203
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Energy: 2.080916726874749
Energy: 2.0802514710109925
Energy: 2.15515736973942
Energy: 2.211987080807038
Energy: 2.1443227242514062
Energy: 2.0969253007678876
Energy: 2.0971134496163755
Energy: 2.080251471008259
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Energy: 2.2119870808097715
Energy: 2.1443227242541396
Energy: 2.085307739197077
Energy: 2.164636785334751
Energy: 2.1191632143140833
Energy: 2.3264989467607227
Energy: 2.1096579343617687
Energy: 2.118187916868114
Energy: 2.085307739197077
Energy: 2.164636785337484
Energy: 2.1191632143113504
Energy: 2.3264989467607227
Energy: 2.0587270714053214
Energy: 2.1735300337317978
Energy: 2.0701082860142015
Energy: 2.304796448110145
Energy: 2.044743919912622
Energy: 2.12187292227328
Energy: 2.0587270714053214
Energy: 2.1735300337317978
Energy: 2.0701082860142015
Energy: 2.304796448110145
Energy: 2.1067667854231424
Energy: 2.1394209286129033
Energy: 2.251891208586613
Energy: 2.042361674331425
Energy: 2.1162160880533776
Energy: 2.0579582089495396
Energy: 2.1067667854231424
Energy: 2.1394209286101695
Energy: 2.2518912085893463
Energy: 2.0423616743341584
Energy: 2.377581806467557
Energy: 2.0765834959229617
Energy: 2.2939709665267407
Energy: 2.1851391635014905
Energy: 2.100029060775285
Energy: 2.044168540891692
Energy: 2.377581806467557
Energy: 2.0765834959229617
Energy: 2.2939709665240073
Energy: 2.1851391635014905
Energy: 2.0537593029308434
Energy: 2.370257623836125
Energy: 2.056357154263373
Energy: 2.264289811014402
Energy: 2.1946982908452317
Energy: 2.0649961155233236
Energy: 2.0537593029308434
Energy: 2.370257623836125
Energy: 2.0563571542661068
Energy: 2.264289811014402
Energy: 2.1143036550663843
Energy: 2.2842528322616102
Energy: 2.2071137900692177
Energy: 2.1509599749817006
Energy: 2.12194684672482
Energy: 2.1137486817074156
Energy: 2.1143036550663843
Energy: 2.2842528322616102
Energy: 2.2071137900692177
Energy: 2.1509599749789676
Energy: 2.0725359186465466
Energy: 2.112008539037113
Energy: 2.3126525111745764
Energy: 2.197457928560155
Energy: 2.075387953421312
Energy: 2.192012394039861
Energy: 2.0725359186438133
Energy: 2.112008539037113
Energy: 2.3126525111745764
Energy: 2.197457928562888
Energy: 2.0872834484752607
Energy: 2.081806401488235
Energy: 2.1330848395099418
Energy: 2.1491126270230536
Energy: 2.2960346764421073
Energy: 2.115777524526648
Energy: 2.087283448469794
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Energy: 2.0889147754037523
Energy: 2.190167358378962
Energy: 2.2493916331455948
Energy: 2.0920842765295253
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Energy: 2.0768083896257368
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Energy: 2.1901673583816956
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Energy: 2.092084276526791
Energy: 2.073950256936693
Energy: 2.1127017591022037
Energy: 2.1219612244755637
Energy: 2.303728689450201
Energy: 2.055840697044085
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Energy: 2.0739502569339594
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Energy: 2.303728689452934
Energy: 2.047156184100692
Energy: 2.2073507029016755
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Energy: 2.297779869907536
Energy: 2.2050087763420727
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Energy: 2.297779869907536
Energy: 2.136953708982737
Energy: 2.0442002423769936
Energy: 2.1903422422343612
Energy: 2.0426917255727566
Energy: 2.279039076382978
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Energy: 2.0442002423769936
Energy: 2.1903422422343612
Energy: 2.042691725570023
Energy: 2.393023588666599
Energy: 2.110494293139274
Energy: 2.1423979910210513
Energy: 2.18126161695525
Energy: 2.215285358538327
Energy: 2.1624430447797747
Energy: 2.393023588666599
Energy: 2.110494293136541
Energy: 2.1423979910210513
Energy: 2.18126161695525
Energy: 2.2179813445744956
Energy: 2.061443534987486
Energy: 2.0808060006724
Energy: 2.1298363030635956
Energy: 2.2294096258484943
Energy: 2.0383065190226204
Energy: 2.2179813445744956
Energy: 2.061443534987486
Energy: 2.0808060006724
Energy: 2.1298363030663294
Energy: 2.120154587659182
Energy: 2.234670908974547
Energy: 2.0481522435996666
Energy: 2.111770691550776
Energy: 2.1191068987796755
Energy: 2.294118533088217
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Energy: 2.2346709089718138
Energy: 2.0481522435996666
Energy: 2.111770691548043
Energy: 2.118772658768215
Energy: 2.0875682110314315
Energy: 2.098946841252364
Energy: 2.060479678570732
Energy: 2.07010923792666
Energy: 2.1679418209858685
Energy: 2.1187726587654816
Energy: 2.0875682110286977
Energy: 2.098946841252364
Energy: 2.060479678570732
Energy: 2.2327699546891484
Energy: 2.0627125802480895
Energy: 2.118056551152309
Energy: 2.085317939735646
Energy: 2.240640124984726
Energy: 2.1189242475771075
Energy: 2.232769954686415
Energy: 2.062712580250823
Energy: 2.118056551152309
Energy: 2.0853179397329127
Energy: 2.160519101648486
Energy: 2.038632965024949
Energy: 2.1495022848916796
Energy: 2.0793061105676927
Energy: 2.1712707563645655
Energy: 2.1186908818990657
Energy: 2.160519101648486
Energy: 2.038632965024949
Energy: 2.1495022848916796
Energy: 2.0793061105676927
Energy: 2.0568265342988545
Energy: 2.110921955833774
Energy: 2.0577187379856494
Energy: 2.1435491562192053
Energy: 2.1702179358355935
Energy: 2.2619763507026835
Energy: 2.056826534301588
Energy: 2.110921955833774
Energy: 2.0577187379856494
Energy: 2.1435491562192053
Energy: 2.263211541995859
Energy: 2.1052400063887506
Energy: 2.083979650220453
Energy: 2.4333626896913954
Energy: 2.166945449528943
Energy: 2.1912167201144093
Energy: 2.263211541995859
Energy: 2.1052400063887506
Energy: 2.083979650223186
Energy: 2.433362689688662
Energy: 2.0564079236931634
Energy: 2.3173713872690427
Energy: 2.064280177082738
Energy: 2.050340543433374
Energy: 2.215983034093024
Energy: 2.193784751495161
Energy: 2.0564079236931634
Energy: 2.3173713872690427
Energy: 2.064280177082738
Energy: 2.0503405434306408
Energy: 2.2563520153398673
Energy: 2.1229623399391033
Energy: 2.364826442576278
Energy: 2.0496341518446446
Energy: 2.1015878056648654
Energy: 2.279725084223674
Energy: 2.256352015342601
Energy: 2.1229623399363695
Energy: 2.364826442576278
Energy: 2.0496341518446446
Energy: 2.187411519281745
Energy: 2.1249804480927237
Energy: 2.087566098770868
Energy: 2.075014870819565
Energy: 2.0912577532283834
Energy: 2.1908073165460844
Energy: 2.187411519281745
Energy: 2.12498044808999
Energy: 2.0875660987681344
Energy: 2.075014870819565
Energy: 2.091917828511484
Energy: 2.2535965874679365
Energy: 2.0968540472222323
Energy: 2.151369885549075
Energy: 2.0838562116599846
Energy: 2.1523414239652836
Energy: 2.0919178285087505
Energy: 2.2535965874706703
Energy: 2.0968540472222323
Energy: 2.151369885549075
Energy: 2.0921268497566783
Energy: 2.2192104751363817
Energy: 2.0837990315550714
Energy: 2.143282484079573
Energy: 2.043929071638158
Energy: 2.144450265556438
Energy: 2.0921268497566783
Energy: 2.2192104751391146
Energy: 2.0837990315550714
Energy: 2.143282484079573
Energy: 2.309232618321517
Energy: 2.0571889531341796
Energy: 2.0839021372251465
Energy: 2.075939259157889
Energy: 2.0866429861638247
Energy: 2.12327554811252
Energy: 2.3092326183242506
Energy: 2.0571889531341796
Energy: 2.083902137222413
Energy: 2.075939259157889
Energy: 2.298482111775638
Energy: 2.203875899389993
Energy: 2.0955317353882363
Energy: 2.0528489208684872
Energy: 2.12891791509912
Energy: 2.1246662567225387
Energy: 2.298482111772904
Energy: 2.203875899389993
Energy: 2.0955317353882363
Energy: 2.0528489208684872
Energy: 2.0415078313129653
Energy: 2.1965489211067215
Energy: 2.218042198858649
Energy: 2.0948983968962693
Energy: 2.0636510663683043
Energy: 2.3172757874167718
Energy: 2.041507831315699
Energy: 2.196548921109405
Energy: 2.218042198858649
Energy: 2.0948983968962693
Energy: 2.1814393396217855
Energy: 2.2002537065729384
Energy: 2.139462716059673
Energy: 2.11270567223906
Energy: 2.0986100844698474
Energy: 2.0991114337129435
Energy: 2.1814393396217855
Energy: 2.2002537065756718
Energy: 2.139462716056939
Energy: 2.1127056722363267
Energy: 2.161513022171308
Energy: 2.158389952599507
Energy: 2.076493070597257
Energy: 2.1419640893485488
Energy: 2.058723833561913
Energy: 2.1116041398522873
Energy: 2.161513022171308
Energy: 2.158389952599507
Energy: 2.076493070597257
Energy: 2.1419640893485488
Energy: 2.142656010060113
Energy: 2.1193773092437826
Energy: 2.279068053872653
Energy: 2.110541513086726
Energy: 2.148145587187163
Energy: 2.040469169950116
Energy: 2.142656010060113
Energy: 2.1193773092437826
Energy: 2.279068053875387
Energy: 2.1105415130839926
Energy: 2.18171892216611
Energy: 2.0703301940508885
Energy: 2.363507237462303
Energy: 2.0846403357114034
Energy: 2.1165052800138042
Energy: 2.0585184064408377
Energy: 2.181718922168844
Energy: 2.0703301940481547
Energy: 2.363507237459569
Energy: 2.0846403357114034
Energy: 2.0806020404552994
Energy: 2.1703139129314537
Energy: 2.0702653176483885
Energy: 2.0967810612525217
Energy: 2.100061605397063
Energy: 2.130976058905444
Energy: 2.0806020404525656
Energy: 2.1703139129314537
Energy: 2.0702653176456547
Energy: 2.0967810612525217
Energy: 2.144070329932937
Energy: 2.2935603834282143
Energy: 2.1192217197516157
Energy: 2.163972179022267
Energy: 2.044206673887217
Energy: 2.1514358816108925
Energy: 2.144070329932937
Energy: 2.2935603834282143
Energy: 2.1192217197516157
Energy: 2.163972179022267
Energy: 2.2068974075915966
Energy: 2.0782093374504824
Energy: 2.199887843913661
Energy: 2.318323449645846
Energy: 2.1238635051492976
Energy: 2.0581827549300975
Energy: 2.2068974075915966
Energy: 2.078209337447749
Energy: 2.1998878439163945
Energy: 2.318323449645846
Energy: 2.07916093250877
Energy: 2.1566914325668987
Energy: 2.150726862777837
Energy: 2.184830625909176
Energy: 2.0993488391159563
Energy: 2.124626842980959
Energy: 2.07916093250877
Energy: 2.1566914325696325
Energy: 2.150726862780571
Energy: 2.184830625909176
Energy: 2.1109432718379875
Energy: 2.1720974780981965
Energy: 2.2307006954429243
Energy: 2.042448060150686
Energy: 2.2957353502652325
Energy: 2.0449128598370376
Energy: 2.110943271835254
Energy: 2.1720974780981965
Energy: 2.2307006954429243
Energy: 2.0424480601534194
Energy: 2.050476918240359
Energy: 2.096128274344647
Energy: 2.2067689335583403
Energy: 2.2227448764565887
Energy: 2.073227835502676
Energy: 2.180315341992012
Energy: 2.050476918240359
Energy: 2.0961282743473815
Energy: 2.2067689335583403
Energy: 2.2227448764565887
Energy: 2.076882144150003
Energy: 2.1285344057838356
Energy: 2.0564953963022194
Energy: 2.1704138325633306
Energy: 2.125588191424005
Energy: 2.0665448771776544
Energy: 2.076882144150003
Energy: 2.128534405786569
Energy: 2.0564953963022194
Energy: 2.170413832560597
Energy: 2.1387780662468736
Energy: 2.081872997228379
Energy: 2.2461595841374162
Energy: 2.092302762795494
Energy: 2.145736008947012
Energy: 2.0735577970937134
Energy: 2.1387780662468736
Energy: 2.081872997228379
Energy: 2.2461595841374162
Energy: 2.092302762795494

minimum gb energy = 2.0383065190226204 eV
minimum distance =  2.39005871541395 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.1074743106880596
Energy: 2.240133369665168
Energy: 2.0142115740059845
Energy: 2.47646802334541
Energy: 2.0142413731925677
Energy: 2.239850413685206
Energy: 2.1074743106860683
Energy: 2.2401333696661636
Energy: 2.0142115740020006
Energy: 2.3377528111779613
Energy: 2.0391610195087306
Energy: 2.193345906349805
Energy: 2.059576475747908
Energy: 2.0773668947993533
Energy: 2.252155265964125
Energy: 2.0643950482656113
Energy: 2.039161019504747
Energy: 2.193345906344826
Energy: 2.0595764757469124
Energy: 2.0773668947973616
Energy: 2.023294029832517
Energy: 1.991952973132504
Energy: 2.0634063945575933
Energy: 1.9836564242763328
Energy: 1.986062055491733
Energy: 2.0190050192692013
Energy: 2.023294029837496
Energy: 1.9919529731364876
Energy: 2.0634063945635686
Energy: 1.9836564242713535
Energy: 2.068530115293283
Energy: 2.037122891848193
Energy: 2.0032116403421973
Energy: 2.064534732029326
Energy: 2.0018028056049277
Energy: 2.064264041189406
Energy: 2.0685301152922873
Energy: 2.0371228918462014
Energy: 2.003211640343193
Energy: 2.064534732029326
Energy: 2.040410461691548
Energy: 2.170600898560223
Energy: 2.0030842477126307
Energy: 2.051242168878567
Energy: 2.0477828766680806
Energy: 2.0235144894938064
Energy: 2.0404104616935395
Energy: 2.170600898559227
Energy: 2.003084247713627
Energy: 2.051242168880559
Energy: 2.039502187220659
Energy: 2.1902229916178575
Energy: 2.0161385704843346
Energy: 2.0529104156125912
Energy: 2.0162440851422896
Energy: 2.0659817302903822
Energy: 2.0395021872236465
Energy: 2.1902229916208453
Energy: 2.0161385704823425
Energy: 2.0529104156106
Energy: 2.0625222417225437
Energy: 1.9830726949297384
Energy: 2.193240673550786
Energy: 2.062043621036588
Energy: 1.9857006010925418
Energy: 1.9918839093407676
Energy: 2.0625222417245355
Energy: 1.9830726949277466
Energy: 2.19324067355477
Energy: 2.0620436210395754
Energy: 2.1007834417513185
Energy: 1.9888947702382669
Energy: 1.9862822802982485
Energy: 2.0646682067736077
Energy: 1.9878358111660794
Energy: 2.0371961930800664
Energy: 2.1007834417493263
Energy: 1.9888947702332875
Energy: 1.9862822802972526
Energy: 2.0646682067736077
Energy: 2.0437852838455246
Energy: 2.063422006809325
Energy: 2.05882767255534
Energy: 2.0116074855538844
Energy: 2.014237061670133
Energy: 2.014237061670133
Energy: 2.043785283843533
Energy: 2.0634220068153004
Energy: 2.0588276725573316
Energy: 2.011607485556872
Energy: 2.063451338093151
Energy: 2.0451324379319518
Energy: 2.0170032200685584
Energy: 2.058893191246559
Energy: 2.059760559159732
Energy: 2.2200044004293025
Energy: 2.0634513380961383
Energy: 2.04513243793494
Energy: 2.0170032200715458
Energy: 2.0588931912415793
Energy: 2.082840778624555
Energy: 2.063638821276763
Energy: 2.003587710098218
Energy: 2.062255463809539
Energy: 2.1939321454862064
Energy: 2.000610003700334
Energy: 2.082840778622564
Energy: 2.063638821274771
Energy: 2.003587710103197
Energy: 2.062255463813522
Energy: 2.0431187089375356
Energy: 1.9887433918491102
Energy: 2.250956046708997
Energy: 1.9976569406568299
Energy: 2.251140650384151
Energy: 1.98881810140317
Energy: 2.043118708935544
Energy: 1.9887433918501063
Energy: 2.2509560467070053
Energy: 1.9976569406598172
Energy: 2.0828451608697858
Energy: 2.000609392441717
Energy: 2.19393214549019
Energy: 2.06232954137363
Energy: 2.0036212078116744
Energy: 2.063644468968231
Energy: 2.082845160873769
Energy: 2.0006093924427133
Energy: 2.193932145489194
Energy: 2.0623295413706426
Energy: 2.0648832390841747
Energy: 2.219822199824137
Energy: 2.059771097404933
Energy: 2.0587156718318265
Energy: 2.015948489427135
Energy: 2.0451388118398044
Energy: 2.064883239075212
Energy: 2.2198221998271253
Energy: 2.059771097399954
Energy: 2.0587156718387973

minimum gb energy = 1.9830726949277466 eV
minimum distance =  2.40237751591897 Angstroms
sigma value = 33