Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998893380165
cohesive_energy=4.280334775369924
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9511627484178798e-19, 2.7688175718134397e-19, 3.39272117485938e-19, 3.8998741665857396e-19, 4.3254923894078394e-19, 4.689410790054599e-19, 5.00430258570096e-19, 5.27883555193686e-19, 5.51930624293392e-19, 5.73048914506146e-19, 5.916037221044999e-19, 6.07891449765744e-19, 6.22150821808344e-19, 6.3458211031155e-19, 6.45351941645298e-19, 6.5460130735338e-19, 6.624519728599799e-19, 6.690112839995759e-19, 6.743705648403059e-19, 6.786115263905041e-19, 6.81807868775334e-19, 6.840204747068879e-19, 6.85311829073892e-19, 6.85731599352e-19, 6.852717746580419e-19, 6.837449003258399e-19, 6.80889821564052e-19, 6.763748878094398e-19, 6.69794748373602e-19, 6.60630298027122e-19, 6.48229450879962e-19, 6.31760677259076e-19, 6.10160131879488e-19, 5.820595558957619e-19, 5.4567732889089e-19, 4.98682283862402e-19, 4.37991832966482e-19, 3.59494790960286e-19, 2.5763320710046797e-19, 1.248188524130772e-19, -4.9476015546237e-20, -2.8005246474003e-19, -5.88123794455452e-19, -1.004680106235648e-18, -1.576142865874134e-18, -2.3742014668592397e-18, -3.51259603061526e-18, -5.1769050744817796e-18, -7.67857571434206e-18, -1.155573101625768e-17, -1.77618903821874e-17, -2.79927494962578e-17, -4.507756003291679e-17, -7.23651915925512e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01501487732525026
Energy: 0.015477075413713456
Energy: 0.08458286782893275
Energy: 0.08415786434169817
Energy: 0.11341708977735777
Energy: 0.567252110986415
Energy: 0.11331728646869052
Energy: 0.08321301570296029
Energy: 0.08377515899299885
Energy: 0.015239210570423356
Energy: 0.015147035346895222
Energy: 0.08267011485749032
Energy: 0.11362636470183965
Energy: 0.015910623206521604
Energy: 0.016706613466311505
Energy: 0.08365774339970565
Energy: 0.0826236849006879
Energy: 0.11322571244020392
Energy: 0.08256483435431466
Energy: 0.11567767274213495
Energy: 0.08321489650981985
Energy: 0.08273566169440247
Energy: 0.11308567821395052
Energy: 0.015514329302790715
Energy: 0.08398115721682885
Energy: 0.11340333644223413
Energy: 0.015224640814369824
Energy: 0.015445669120655085
Energy: 0.11345594416181431
Energy: 0.08409078248158182
Energy: 0.016465925611917075
Energy: 0.11393442027959537
Energy: 0.08308556062211213
Energy: 0.08313331774064152
Energy: 0.08276717114718558
Energy: 0.08278691285015047
Energy: 0.0164210396244777
Energy: 0.015690748838629653
Energy: 0.08308390738050553
Energy: 0.015395439510570857
Energy: 0.016996613621965008
Energy: 0.08549473725105014
Energy: 0.08304460413929225
Energy: 0.015895315701448448
Energy: 0.015396449807109433
Energy: 0.08251574268756878
Energy: 0.0839456295834166
Energy: 0.08435365648568363
Energy: 0.08255546560527388
Energy: 0.015264399689243917
Energy: 0.0829587928793479
Energy: 0.08662367005660414
Energy: 0.11647188365134709
Energy: 0.015608426226293938
Energy: 0.015313463536081264
Energy: 0.08362331056483722
Energy: 0.01603096162875191
Energy: 0.017002687610361937
Energy: 0.08277467308476921
Energy: 0.08270391075826478
Energy: 0.015439588821799705
Energy: 0.11376551062161161
Energy: 0.08320025030606912
Energy: 0.11373968890578047
Energy: 0.083842385807974
Energy: 0.0825311637682703
Energy: 0.015597274049778986
Energy: 0.01585329206413204
Energy: 0.11302290639011636
Energy: 0.08293116187860196

minimum gb energy = 0.01501487732525026 eV
minimum distance =  2.4685115186624 Angstroms
sigma value = 3


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

Energy: 1.2808825425895263
Energy: 1.0773918762480055
Energy: 1.0803821683710353
Energy: 1.029211832438595
Energy: 1.0645929690685034
Energy: 1.0335395947133188
Energy: 1.0335681035416273
Energy: 1.0258692209488267
Energy: 1.0781048387739192
Energy: 1.104603788058904
Energy: 1.0318113351406863
Energy: 1.0615078837982632
Energy: 1.025002887549421
Energy: 1.136161329034229
Energy: 1.150374466904116
Energy: 1.0322634497795748
Energy: 1.032034821702475
Energy: 1.0307973009787046
Energy: 1.037021633597278
Energy: 1.0676171892344861
Energy: 1.172148724687628
Energy: 1.028312264704073
Energy: 1.0598629873222944
Energy: 1.036748440885218
Energy: 1.1597868229491863
Energy: 1.1770786641228583
Energy: 1.1363113297979102
Energy: 1.1073215405912913
Energy: 1.1574416964612924
Energy: 1.1516748576162779
Energy: 1.1614267735414452
Energy: 1.025139738064787
Energy: 1.1593951038324288
Energy: 1.158280381039906
Energy: 1.012918273436987
Energy: 1.0430703733883593
Energy: 1.072628688354159
Energy: 1.0989935482502744
Energy: 1.0617624613557177
Energy: 1.1243854117324446
Energy: 1.168830658269373
Energy: 1.031480561779726
Energy: 1.0935802723954857
Energy: 1.1554276446018428
Energy: 1.0282899554029166
Energy: 1.0321934549416667
Energy: 1.030440993036279
Energy: 1.0061370169541122
Energy: 1.0236721409825627
Energy: 1.0439659140507782
Energy: 1.1253460752280826
Energy: 1.022642104708911
Energy: 1.031975704038319
Energy: 1.0295790738761665
Energy: 1.0948820893133773
Energy: 1.0908124597331303
Energy: 1.0940185257408517
Energy: 1.0200582603726387
Energy: 1.0890005292997718
Energy: 1.0100646018040973
Energy: 1.0255018326338252
Energy: 1.0353546954916135
Energy: 1.018306949931323
Energy: 1.0143056921209919
Energy: 1.0389483803670876
Energy: 1.0300935042428048
Energy: 1.0222220587490765
Energy: 1.0882119149153284
Energy: 1.0231289098713476
Energy: 1.0284272096518428
Energy: 1.02292807404698
Energy: 1.0399337612928303
Energy: 1.0195427380538817
Energy: 1.0088661590411931
Energy: 1.0141800454729601
Energy: 1.0314227780571386
Energy: 1.0093252615451758
Energy: 1.0823414883563307
Energy: 1.095319488203073
Energy: 1.0161651803446103
Energy: 1.0664751176750724
Energy: 1.0217388300026684
Energy: 1.0123289469444254
Energy: 1.0204291142503088
Energy: 1.0220103749518938
Energy: 1.0147951261017576
Energy: 1.0144574691871504
Energy: 1.0434827189584077
Energy: 1.0372406907036635
Energy: 1.0025444676602941
Energy: 1.0551459850322376
Energy: 1.0857900370220317
Energy: 1.0193535862399965
Energy: 1.0244123387078243
Energy: 1.0194279857724295
Energy: 1.0123598302123502
Energy: 1.0123208276748863
Energy: 1.003866960703313
Energy: 1.0120203549419382
Energy: 1.054928153766902
Energy: 1.063366073176833
Energy: 1.0234396370677867
Energy: 1.0684646162589266
Energy: 1.0700628094975995
Energy: 1.1504495302032405
Energy: 1.0430862134026078
Energy: 1.0188065276240157
Energy: 1.0311663413150538
Energy: 1.0110924482955763
Energy: 1.0435344872974937
Energy: 1.045937792553262
Energy: 1.045528804612678
Energy: 1.0810191441367705
Energy: 1.1138581115778754
Energy: 1.0771853510167468
Energy: 1.1398195203078956
Energy: 1.1377823406006449
Energy: 1.0173169215755489
Energy: 1.0260366056163284
Energy: 1.0478092794399207
Energy: 1.0552840751020418
Energy: 1.0970663152960523
Energy: 1.064558905348175
Energy: 1.0557418941347219
Energy: 1.0161755087782571
Energy: 1.1027074124298692
Energy: 1.0444833356449035
Energy: 1.052497439267788
Energy: 1.017577481410469
Energy: 1.073443752423491
Energy: 1.2147209878406968
Energy: 1.146500625474435
Energy: 1.1647981792355335
Energy: 1.0095067703201186
Energy: 1.0548528961132078
Energy: 1.1015350490525928
Energy: 1.0476043716718142
Energy: 1.04796695694497
Energy: 1.0397972116074379
Energy: 1.1355786429553152
Energy: 1.059861198003528
Energy: 1.0502761476715814
Energy: 1.046069416024155
Energy: 1.0444241582986338
Energy: 1.0420241013177582
Energy: 1.1016982361654597
Energy: 1.0503544550297295
Energy: 1.098845726827291
Energy: 1.0320099641429292
Energy: 1.0522415249168184
Energy: 1.0787505459572948
Energy: 1.0796467539643282
Energy: 1.0601510623234083
Energy: 1.0624903799667988
Energy: 1.047377906874866
Energy: 1.0862360568822609
Energy: 1.0115967101546839
Energy: 1.1288079710550267
Energy: 1.137170932899217
Energy: 1.0748789944900816
Energy: 1.0427771630174276
Energy: 1.1357648922398025
Energy: 1.0131151653092563
Energy: 1.0527328660840152
Energy: 1.0451173452267504
Energy: 1.0592710040310371
Energy: 1.0160818868577415
Energy: 1.0577785303658174
Energy: 1.1329607387071923
Energy: 1.0494134456042739
Energy: 1.0368258780736803
Energy: 1.0124889694947055
Energy: 1.0507324601764445
Energy: 1.0743179532816556
Energy: 1.0517489563653284
Energy: 1.1621561653358345
Energy: 1.0055711947345438
Energy: 1.2076426169389132
Energy: 1.054338712002502
Energy: 1.0401126425127099
Energy: 1.0444866152038532
Energy: 1.0614496201419161
Energy: 1.0095864515541273
Energy: 1.054406902810788
Energy: 1.0053240847460092
Energy: 1.1616022444645684
Energy: 1.0536573297133958
Energy: 1.1374611217885202
Energy: 1.1406600152555386
Energy: 1.045961973395863
Energy: 1.050456416065297
Energy: 1.095154450579204
Energy: 1.012248567031598
Energy: 1.063031907931479
Energy: 1.0061662607196422
Energy: 1.1075602398907858
Energy: 1.0791967671852596
Energy: 1.0393006116952117
Energy: 1.0768887759900394
Energy: 1.0256208924766101
Energy: 1.0301279800158203
Energy: 1.008119940835121
Energy: 1.0935726486178448
Energy: 1.0055254256445114
Energy: 1.0242703256377526
Energy: 1.0188323384566913
Energy: 1.0330337835122607
Energy: 1.0265965135618969
Energy: 1.0187203357023633
Energy: 1.0661102106665425
Energy: 1.0147525817149996
Energy: 1.0042902996771397
Energy: 1.1349856903059026
Energy: 1.173600499624467
Energy: 1.0242717849694427
Energy: 1.0269553651268237
Energy: 1.0258670321880308
Energy: 1.0189556411241338
Energy: 1.0067992738273281
Energy: 1.0182693914309318
Energy: 1.0134824751395204
Energy: 1.0181633093645857
Energy: 1.0382707747362443
Energy: 1.030084944691647
Energy: 1.016464265012088
Energy: 1.0828504345998327
Energy: 1.0249515491222594
Energy: 1.0203979970644796
Energy: 1.0084889896845635
Energy: 1.0069337638429323
Energy: 1.0496990480339212
Energy: 1.017411358331525
Energy: 1.0204463416176108
Energy: 1.017200053769407
Energy: 1.0395880595761766
Energy: 1.032361987170936
Energy: 1.1093126774967677
Energy: 1.013117929338365
Energy: 1.0176589378236787
Energy: 1.0172783636517047
Energy: 1.1469335788845108
Energy: 1.0311974501995071
Energy: 1.015256116263985
Energy: 1.0149845426493522
Energy: 1.041360436187374
Energy: 1.019451290647056
Energy: 1.0184227221009177
Energy: 1.081624332036959
Energy: 1.0122939737380894
Energy: 1.153099002126522
Energy: 1.1457168722610303
Energy: 1.0530601565915128
Energy: 1.0336493933507
Energy: 1.0666592920200986
Energy: 1.018326254430506
Energy: 1.0391636278706915
Energy: 1.0212774884957985
Energy: 1.0692052841176802
Energy: 1.047078902378774
Energy: 1.036903789760084
Energy: 1.0953939262620938
Energy: 1.1416035489745546
Energy: 1.1716568005396282
Energy: 1.1376701506681905
Energy: 1.116787723193128
Energy: 1.0124852004891072
Energy: 1.0440471249893026
Energy: 1.0664021802334849
Energy: 1.0464704060725787
Energy: 1.0288403008863096
Energy: 1.0250096084445521
Energy: 1.05830012154394
Energy: 1.0404123882149447
Energy: 1.0139819741738991
Energy: 1.1094659787445251
Energy: 1.180428676663206
Energy: 1.188228454504105
Energy: 1.102924785045575
Energy: 1.0807502857231217
Energy: 1.0374342448439047
Energy: 1.1687510522021807
Energy: 1.0796678125491845
Energy: 1.0665696265285598
Energy: 1.0132289631345288
Energy: 1.0666466606571687
Energy: 1.0640681355993076
Energy: 1.0417702840586744
Energy: 1.0536932869290203
Energy: 1.1170727734469612
Energy: 1.05406924705646

minimum gb energy = 1.0025444676602941 eV
minimum distance =  2.29517970305102 Angstroms
sigma value = 75


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

Energy: 1.7526310509656022
Energy: 1.056460403603372
Energy: 1.072100008071889
Energy: 1.0253095799926306
Energy: 1.1531103879625713
Energy: 1.0381045423042563
Energy: 1.0516002650885672
Energy: 1.0399515365283827
Energy: 1.0958519205860522
Energy: 1.0513884744951605
Energy: 1.001795848166533
Energy: 1.088827967105975
Energy: 1.0769397298319672
Energy: 1.100579635387931
Energy: 1.1654927201637404
Energy: 1.076186078214342
Energy: 1.0489405447485014
Energy: 1.0336946241234408
Energy: 1.032993419633794
Energy: 1.0819937699119835
Energy: 1.123605497383441
Energy: 1.055816461596462
Energy: 1.0622482122470094
Energy: 1.0643059404632331
Energy: 1.0714130348497957
Energy: 1.2178284113502544
Energy: 1.0840237702593916
Energy: 1.1510559282834247
Energy: 1.1555473398946563
Energy: 1.092287934578507
Energy: 1.0416054435630173
Energy: 1.1512266806481712
Energy: 1.1515269621192952
Energy: 1.0982715468570448
Energy: 1.0482673238552471
Energy: 1.0485141169904468
Energy: 1.0336408661647736
Energy: 1.08305212920387
Energy: 1.0759259851240557
Energy: 1.0425038956503039
Energy: 1.1466177560868878
Energy: 1.0401141194678614
Energy: 1.038337739018991
Energy: 1.060001620030617
Energy: 1.0408397920881063
Energy: 1.032613496729477
Energy: 1.0403555201914618
Energy: 1.0467911213352912
Energy: 1.0797127050187616
Energy: 1.060232540222385
Energy: 1.028048275579526
Energy: 1.078951518963764
Energy: 1.0302284686840537
Energy: 1.040609390055213
Energy: 1.0616501319890477
Energy: 1.0288368724777852
Energy: 1.065427678902124
Energy: 1.0372719137597106
Energy: 1.0299826866031994
Energy: 1.0314779944893688
Energy: 1.055244078919813
Energy: 1.1011307035628088
Energy: 1.045403020902591
Energy: 1.0617893833968715
Energy: 1.0417996230427633
Energy: 1.032314985303055
Energy: 1.0330189141542985
Energy: 1.064606517867719
Energy: 1.0762559674390015
Energy: 1.0391624896547391
Energy: 1.097094091473712
Energy: 1.0756802400082492
Energy: 1.1010482052979842
Energy: 1.0768885807707662
Energy: 1.0894626266386287
Energy: 1.0491571284339762
Energy: 1.0906196780784176
Energy: 1.0598535045642687
Energy: 1.1174379265855987
Energy: 1.0643419317452423
Energy: 1.1077377767652683
Energy: 1.0762967102812409
Energy: 1.0741659291611132
Energy: 1.065517462389355
Energy: 1.0622868302623838
Energy: 1.0419005725292574
Energy: 1.1151008202091193
Energy: 1.1501573911002783
Energy: 1.0722866651624454
Energy: 1.0805574498850705
Energy: 1.1448442776970953
Energy: 1.0766809692321089
Energy: 1.0281960454915078
Energy: 1.095281692963226
Energy: 1.086362799249902
Energy: 1.1016331534572152
Energy: 1.176479000654752
Energy: 1.1731294228958031
Energy: 1.0485341316160324
Energy: 1.0532492300224137
Energy: 1.0331647859856068
Energy: 1.1468163487806597
Energy: 1.1166740108958553
Energy: 1.1495830740101511
Energy: 1.0794760597799626
Energy: 1.0245985149216148
Energy: 1.1109587940860342
Energy: 1.0649783784257492
Energy: 1.1188264855562056
Energy: 1.0727494223008112
Energy: 1.0458120600559548
Energy: 1.0662441213200837
Energy: 1.0682577805062887
Energy: 1.0831463544225002
Energy: 1.1043951209195961
Energy: 1.076449596079925
Energy: 1.097610182113586
Energy: 1.1184436764193286
Energy: 1.03624332376968
Energy: 1.0440355712953338
Energy: 1.135166664330964
Energy: 1.0636305007498348
Energy: 1.08963072739625
Energy: 1.0903486591210123
Energy: 1.1791413941824904
Energy: 1.070010493417336
Energy: 1.0613449774160502
Energy: 1.0885931774789221
Energy: 1.1102056715487556
Energy: 1.0891943956413894
Energy: 1.1032104669861713
Energy: 1.1463185485690106
Energy: 1.0360888839426277
Energy: 1.1741863613873313
Energy: 1.091650119046713
Energy: 1.052594598074897
Energy: 1.050686893097756
Energy: 1.0445377726425231
Energy: 1.0706952879470661
Energy: 1.0900992155106757
Energy: 1.0614304592579304
Energy: 1.0164801638446013
Energy: 1.0639601643905245
Energy: 1.0452726986953615
Energy: 1.0459538116729814
Energy: 1.1628864780719095
Energy: 1.0406685528417912
Energy: 1.0543051441691995
Energy: 1.0497820213190703
Energy: 1.043315594546948
Energy: 1.039040904477405
Energy: 1.035109250057028
Energy: 1.0366523357852835
Energy: 1.0939985855713743
Energy: 1.0452084799498145
Energy: 1.0637619294476093
Energy: 1.0735769690035943
Energy: 1.0165868415111372
Energy: 1.0622026510154856
Energy: 1.0183347697135492
Energy: 1.0612328678834884
Energy: 1.058094213446293
Energy: 1.0603597886820584
Energy: 1.0660709269291064
Energy: 1.060743374044892
Energy: 1.051533271586358
Energy: 1.085901023856569
Energy: 1.022039979476428
Energy: 1.028168466689442
Energy: 1.0583927158362307
Energy: 1.0635919887145338
Energy: 1.0601668154443074
Energy: 1.093907116879823
Energy: 1.0559986500418983
Energy: 1.1090981234002737
Energy: 1.1265513791242145
Energy: 1.064977507633234
Energy: 1.0660103258733393
Energy: 1.1038538753498335
Energy: 1.1252598523252404
Energy: 1.072252790681745
Energy: 1.2004030896919786
Energy: 1.104177153300756
Energy: 1.0068116548704247
Energy: 1.1224960931814991
Energy: 1.0974593741113265
Energy: 1.0640376903167945
Energy: 1.0803352547775151
Energy: 1.1824965264305916
Energy: 1.0816660909626665
Energy: 1.048868331945662
Energy: 1.0655551926514868
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minimum gb energy = 1.001795848166533 eV
minimum distance =  2.30279168352363 Angstroms
sigma value = 105


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

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Energy: 1.1378016928609795
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Energy: 1.01854541539625
Energy: 1.003858858140974
Energy: 1.0125250023940284
Energy: 1.172425428063097
Energy: 1.034191632729172
Energy: 1.0326173043815363
Energy: 1.0422824529373877
Energy: 1.099794099094254
Energy: 1.045138260521038
Energy: 1.0497741571674875
Energy: 1.1016926926645687
Energy: 1.055679005504605
Energy: 1.0073447499555621
Energy: 1.0023332599057468
Energy: 1.0339233410891493
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Energy: 1.0648484917141379
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Energy: 0.9904616518658986
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Energy: 1.0910461169978911
Energy: 0.9878764592331096
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Energy: 1.0393307820164221
Energy: 0.9915636429420149
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Energy: 1.0370724474016222
Energy: 0.9994905306207188
Energy: 1.0981016629170397
Energy: 1.015184039897315
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Energy: 1.1010322758844964
Energy: 0.9922586379506291
Energy: 1.0529980003539632
Energy: 1.0744174239664868
Energy: 1.0458179056756451
Energy: 1.025548010184636
Energy: 1.0475453497620844
Energy: 1.0361800165244888
Energy: 1.0930239785246438
Energy: 1.0008308601203149
Energy: 1.0403951217868472
Energy: 1.09476448812218
Energy: 0.9922846435925102
Energy: 1.0943354284296916
Energy: 1.0296456766700706
Energy: 1.0419520254686174
Energy: 1.0812870907749983
Energy: 1.0542626821304726
Energy: 1.0845157442980908
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Energy: 1.0819060724468919
Energy: 1.0101681123825648
Energy: 1.0610392496359076
Energy: 1.0716762674048173
Energy: 1.0437110966395666
Energy: 1.030516760833011
Energy: 1.0276819526343322
Energy: 1.0432841417402203
Energy: 1.0511217549460965
Energy: 1.0326992068241445
Energy: 1.0440209545256094
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Energy: 1.014064884894829
Energy: 1.0851447615134628
Energy: 1.0911310265476242
Energy: 1.024504794225585
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Energy: 1.0364635446116437
Energy: 1.0768204171036757
Energy: 1.0517111120151397
Energy: 0.9959495175656422
Energy: 1.079712238846459
Energy: 0.9912756720548523
Energy: 0.9978370695342976
Energy: 1.1436407702890956
Energy: 0.9907876384776068
Energy: 1.0269470094208328
Energy: 1.0318607060224965
Energy: 1.2008264964316242
Energy: 0.9960156277690795
Energy: 1.1134846620970058
Energy: 1.0700433038991972
Energy: 1.0136967957545084
Energy: 1.0674352670341583
Energy: 1.0402014485027133
Energy: 1.1052853599091494
Energy: 1.022112281120118
Energy: 0.9977707597296799
Energy: 1.0606530521772162
Energy: 0.9751281136010742
Energy: 1.0194574532250515
Energy: 1.0400769148824824
Energy: 1.019678789956013
Energy: 1.0325164861464597
Energy: 1.1068182417271342
Energy: 1.0450253549285746
Energy: 1.0735614379629324
Energy: 1.0976508758502879
Energy: 0.9923709335946737
Energy: 0.9928672453691925
Energy: 1.0471976672968866
Energy: 0.9857336790643848
Energy: 1.0989809619741524
Energy: 0.9909751380140666
Energy: 1.0664144704382987
Energy: 1.0845578926929538
Energy: 1.028086502044621
Energy: 1.0466258374792798
Energy: 0.9922313606877948
Energy: 0.9962661674949125
Energy: 1.0762886373529446
Energy: 1.004837873971566
Energy: 1.0268039919625707
Energy: 1.0319386632390646
Energy: 1.0195804703651001
Energy: 0.9925369315779096
Energy: 1.3707856307919644
Energy: 0.9924366761885999
Energy: 1.0086770448948148
Energy: 1.0266278395113826
Energy: 1.0415336397194193
Energy: 1.0312359755568548
Energy: 1.0322631378220628
Energy: 1.028481803388016
Energy: 1.030273312897998
Energy: 1.0288421326587134
Energy: 1.073624100729527
Energy: 1.0158968023991484
Energy: 1.0180633561663424
Energy: 1.0278405447809698
Energy: 1.0385093647563017
Energy: 1.0326954865647164
Energy: 1.0483494113665437
Energy: 1.0281462202027905
Energy: 1.0603273393133155
Energy: 1.0399988077108402
Energy: 1.0642714544249647
Energy: 1.0383342307376504
Energy: 1.0153387513517456
Energy: 1.022617886071952
Energy: 1.0102891405254215
Energy: 1.0248375729720256
Energy: 1.0650538803536458
Energy: 1.0278171501768478
Energy: 1.0273800518472815
Energy: 1.020037654341932
Energy: 1.0731415304891299
Energy: 1.0271379867001587
Energy: 1.017830769616988
Energy: 1.0448216942372623
Energy: 1.1036786481998138
Energy: 0.9955422369339566
Energy: 1.0451405848802815
Energy: 1.0714819013975212
Energy: 1.0772330683354034
Energy: 1.0212991348644906
Energy: 1.0275614617525912
Energy: 1.0260262691628168
Energy: 1.0087864973680314
Energy: 1.1639540424355197
Energy: 1.006947216296205
Energy: 0.9979259594828729
Energy: 1.020974752494281
Energy: 1.062099422894567
Energy: 1.0859698242748503
Energy: 1.0035764553830075
Energy: 1.0793619366339937
Energy: 1.0090017718931648
Energy: 1.0361828054650954
Energy: 1.0616023172704119
Energy: 0.9978141929589527
Energy: 1.003684978928529
Energy: 1.088848993483379
Energy: 1.1606927643877405
Energy: 0.9946097534847246
Energy: 1.0279334205733683
Energy: 1.0632961891461217
Energy: 1.148044890260901

minimum gb energy = 0.9510384233168558 eV
minimum distance =  2.29535142923135 Angstroms
sigma value = 165


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

Energy: 1.1441850134556608
Energy: 0.9916498438648312
Energy: 1.0101959900264672
Energy: 1.0458099384474973
Energy: 1.010936133678642
Energy: 1.0064120753806647
Energy: 0.991095687096813
Energy: 0.9907138586542599
Energy: 1.010815871567726
Energy: 0.9917918504026553
Energy: 0.9921039903159639
Energy: 1.046195970862881
Energy: 1.2706247461056535
Energy: 1.0326742103728748
Energy: 1.0124813006560303
Energy: 1.0379940932356446
Energy: 0.9912116724588153
Energy: 0.9902597281816762
Energy: 1.0020770148042526
Energy: 1.0082760145084275
Energy: 1.0487157283861583
Energy: 1.002126874805747
Energy: 1.0066596971023158
Energy: 1.1371354781690448
Energy: 1.0113072736464543
Energy: 1.0125765376977147
Energy: 1.2924341933225274
Energy: 1.024450764742979
Energy: 1.0212426185096501
Energy: 1.0101832990626374
Energy: 1.0757749150820404
Energy: 1.0104786603152542
Energy: 1.0107225628712377
Energy: 1.0453150995670648
Energy: 1.0027891800528157
Energy: 1.0028658002981465
Energy: 0.9910249189444263
Energy: 1.012874681927561
Energy: 1.0093703477996836
Energy: 1.0103852206869721
Energy: 1.0691436600403104
Energy: 1.0094004119369984
Energy: 1.0069023720376478
Energy: 0.9934150506396963
Energy: 1.0012495409423638
Energy: 1.0038877527731598
Energy: 0.9888741377842287
Energy: 1.0076579023732073
Energy: 1.0467689990644953
Energy: 1.0260280967171005
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Energy: 1.0089303048051736
Energy: 1.022175517644173
Energy: 1.0062407844270451
Energy: 1.0017945880831356
Energy: 1.0145789793137723
Energy: 1.0095019203903248
Energy: 1.0081917257769029
Energy: 0.9811351224335092
Energy: 1.0076710275825702
Energy: 1.0071052959453066
Energy: 0.9930512600571397
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Energy: 1.0069716830897975
Energy: 1.0119894704396994
Energy: 1.0470931787593292
Energy: 1.0091644598816276
Energy: 1.0086901530406995
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Energy: 1.0099958437591294
Energy: 1.0027446779805318
Energy: 0.9823217383223104
Energy: 0.995049243623383
Energy: 1.0130537536881807
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Energy: 0.9942401260621188
Energy: 1.0392810405251562
Energy: 1.0097531527270063
Energy: 1.046565181185415
Energy: 1.0115335956713989
Energy: 1.0078766209928818
Energy: 0.9903256307125974
Energy: 0.9897088129855491
Energy: 1.000695707416416
Energy: 1.017986175375025
Energy: 0.9973763342382554
Energy: 1.0116768645946719
Energy: 1.012492374339554
Energy: 1.0334185870536814
Energy: 1.0174901519758204
Energy: 1.0111549356256706
Energy: 1.010806621403746
Energy: 1.002913302567226
Energy: 1.0034964611280477
Energy: 1.0119872467941713
Energy: 1.045903152128705
Energy: 1.009083895620453
Energy: 1.0377465723630162
Energy: 1.0251316706315157
Energy: 1.0098506389439155
Energy: 1.009385616681242
Energy: 0.9971942337077895
Energy: 1.0110542847078745
Energy: 1.0084718081515696
Energy: 1.0098251185710674
Energy: 1.0712408786625225
Energy: 1.0098669069225554
Energy: 1.0080513143909975
Energy: 1.0458724362940115
Energy: 1.0084438725531066
Energy: 1.011891165281348
Energy: 0.9894385057256881
Energy: 1.0223245454151795
Energy: 1.0477924390978317
Energy: 1.0101247896469363
Energy: 1.0770354511393423
Energy: 1.008596558801585
Energy: 1.0097300159538822
Energy: 0.9998249194506388
Energy: 1.0020536680088608
Energy: 0.9891995701617218
Energy: 1.005038480796092
Energy: 1.0078255589316796
Energy: 1.0404749240451021
Energy: 1.0254945272086238
Energy: 1.0436608021039548
Energy: 1.0069411255694536
Energy: 1.0094262510892602
Energy: 1.003197822416122
Energy: 1.0009295486105492
Energy: 1.0314670799565067
Energy: 1.0114258067294264
Energy: 1.0111690184432347
Energy: 0.9824272110230472
Energy: 1.0118106461480714
Energy: 1.0114515971664133
Energy: 1.0117741802243516
Energy: 0.990930557861089
Energy: 1.002648810502059
Energy: 1.0067011498108798
Energy: 0.9918466288142452
Energy: 1.0072799169179105
Energy: 1.0301210449676181
Energy: 1.0271357003817583
Energy: 1.010832642456973
Energy: 1.0100270275160084
Energy: 0.9926798746376486
Energy: 0.9928621975707954
Energy: 1.012893346377842
Energy: 1.0106687428979433

minimum gb energy = 0.9811351224335092 eV
minimum distance =  2.3076056678976 Angstroms
sigma value = 41


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

Energy: 2.0709862616434638
Energy: 0.8913536294985889
Energy: 0.9430005920350569
Energy: 0.8846576387882413
Energy: 0.8842743499116804
Energy: 0.9285085121771033
Energy: 1.0936812429353515
Energy: 0.9376435899836904
Energy: 0.8998959569143349
Energy: 0.8916025663821241
Energy: 0.9001172149933634
Energy: 0.8859170479626369
Energy: 0.9328455545063905
Energy: 0.8941187826271279
Energy: 0.9127175064043506
Energy: 0.900198518511285
Energy: 0.9373338795694748
Energy: 1.093323667763361
Energy: 1.0965793082437836
Energy: 0.8844905844092426
Energy: 0.8918428750826546
Energy: 1.0930183263561095
Energy: 0.8850891607844641
Energy: 0.8851981691075582
Energy: 0.9267271862160508
Energy: 0.9190110991316718
Energy: 0.9130312395315472
Energy: 0.914550837443433
Energy: 0.9198089122010946
Energy: 0.859264579368911
Energy: 0.9563071070685875
Energy: 0.8795561131413938
Energy: 0.8826659616114766
Energy: 0.857202764059587
Energy: 0.884333835415636
Energy: 0.8845852514468394
Energy: 1.0946882434603589
Energy: 0.9371715892497442
Energy: 0.9008516195454707
Energy: 0.8830796330481795
Energy: 0.8924770288126149
Energy: 0.8835050843075769
Energy: 0.8828280866417337
Energy: 0.8803268400002292
Energy: 0.8840083339176953
Energy: 0.9526181995375291
Energy: 0.8561841263664606
Energy: 0.9391626539851181
Energy: 0.9553978404008538
Energy: 1.09295933916417
Energy: 0.8854288360442598
Energy: 0.8863778869089546
Energy: 0.858160348451877
Energy: 0.8870163151228643
Energy: 0.8548133835662258
Energy: 0.8884960614789523
Energy: 0.9010948282211999
Energy: 0.9014766856428484
Energy: 0.8991887448053218
Energy: 0.8969461571591002
Energy: 0.9187940783326771
Energy: 0.8465677289673401
Energy: 0.8473202298669686
Energy: 0.8864907930032909
Energy: 1.0942751198761054
Energy: 0.8862413960772655
Energy: 0.8833545759797828
Energy: 0.859558946222282
Energy: 0.8927387137762537
Energy: 0.8879707710054875
Energy: 1.0968032128952343
Energy: 0.8478994470586826
Energy: 0.8475559621868628
Energy: 0.9187049236270248
Energy: 0.9212484219800527
Energy: 0.9913496600906542
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Energy: 1.092106790213665
Energy: 0.8879981434268314
Energy: 0.8841537166622331
Energy: 0.8859197315066673
Energy: 1.0931850266835585
Energy: 1.1157761116149685
Energy: 0.9298863613628917
Energy: 0.9197843355939355
Energy: 0.9200855947702664
Energy: 0.9601650840475807
Energy: 0.8979635093329604
Energy: 0.901466479705948
Energy: 0.8851526250296354
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Energy: 0.8813317423822383
Energy: 0.8836055992463934
Energy: 0.88790452461692
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Energy: 0.9371262131102176
Energy: 0.8858104492062345
Energy: 0.9579431251169082
Energy: 0.8544470067571391
Energy: 0.8857319677467415
Energy: 0.8808048488392958
Energy: 0.856007289291785
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Energy: 0.8851340528864521
Energy: 1.0959608383765767
Energy: 0.9563099297357895
Energy: 0.9370950613097884
Energy: 0.8915688464478814
Energy: 1.0944793293733772
Energy: 0.8579477730879805
Energy: 0.8856780545319752
Energy: 0.8840320853397341
Energy: 0.8858591298458552
Energy: 0.8539287176333221
Energy: 0.8829006365172093
Energy: 0.8979047460851919
Energy: 0.8610473477486843
Energy: 0.9334225321877099
Energy: 0.9191677431252698
Energy: 0.9199672108456258
Energy: 0.8473635733352606
Energy: 0.8850600762323473
Energy: 1.0966036490530071
Energy: 1.0957875551117238
Energy: 0.8570764831371764
Energy: 0.8828760303547196
Energy: 0.8461059264979547
Energy: 0.9580205552750214
Energy: 0.938130449398647
Energy: 0.9149385562310027
Energy: 0.8473672598647287
Energy: 0.8907593105340668
Energy: 0.9199580799226431
Energy: 0.8566029900201391
Energy: 0.8842918485855155
Energy: 0.928896170080702
Energy: 1.0935469136798313
Energy: 0.9591544996108405
Energy: 1.0940739200837533
Energy: 0.8855372638949867
Energy: 0.858450893369228
Energy: 0.8852221496990599
Energy: 0.8983240495363626
Energy: 0.9058435639519801
Energy: 0.9144958600701446
Energy: 0.9208011755622083
Energy: 0.9032190348099713
Energy: 0.9337128930037479
Energy: 0.9188316105124603
Energy: 0.8975522372730576
Energy: 0.883381839954373
Energy: 1.0937450849805077
Energy: 0.8890254289058318
Energy: 0.8840942163797586
Energy: 0.8576112544975907
Energy: 0.9271656766187005
Energy: 0.9148498843849956
Energy: 0.9586043965003149
Energy: 0.8874211939228578
Energy: 0.8822243506452067
Energy: 0.8825275071050035
Energy: 0.8829572042830406
Energy: 0.8832460338657683
Energy: 0.8562141628340388
Energy: 0.884952405821534
Energy: 0.8909605936507756
Energy: 1.0947468048197173
Energy: 0.9004989341666936
Energy: 0.9373460182009423
Energy: 0.9346796726980807
Energy: 0.8849657041189052
Energy: 0.884116934340526
Energy: 0.8845408306623858
Energy: 0.8807852087404485
Energy: 0.8805020761896203
Energy: 0.888529710356446
Energy: 0.8525602998182973
Energy: 0.9017458450852291
Energy: 0.8920364227678066
Energy: 0.8473670869997546
Energy: 0.8996496689760467
Energy: 0.8564060968705295
Energy: 0.8574472331330583
Energy: 0.8844238888911069
Energy: 0.8556489197608667
Energy: 0.8888941098471296
Energy: 0.8854380518866749
Energy: 0.8859335002157928
Energy: 1.0942284961134463
Energy: 0.8935808248337276
Energy: 0.9198510320879759
Energy: 0.8912054331560703
Energy: 0.8966712057770291
Energy: 0.8852721241490019
Energy: 1.0928445749976086
Energy: 0.8858808169655483
Energy: 0.8838411935762321
Energy: 0.9279443798781705
Energy: 0.9366521990129487
Energy: 0.9340685456422996
Energy: 1.0961763855142344
Energy: 0.8854605080914547
Energy: 0.8927282103130262
Energy: 0.9143186899703845
Energy: 0.9308571773007823
Energy: 0.9501414421684646
Energy: 0.938129142361889
Energy: 0.9188920225066682
Energy: 0.8852924712716026
Energy: 1.0967719158676177
Energy: 0.8910091467902368
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Energy: 0.8893722544978637
Energy: 1.0928329928781049
Energy: 1.117616359335851
Energy: 0.9300422507144764
Energy: 0.9127803227348739
Energy: 0.8842368669819272
Energy: 1.095948335189092
Energy: 0.8874589044416453
Energy: 0.9004937657090054
Energy: 0.8831294664657159
Energy: 0.954545116522572
Energy: 0.8818900145932459
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Energy: 0.8909444362791605
Energy: 0.8843491357102901
Energy: 0.8881341015738818
Energy: 1.0898732793488428
Energy: 0.9576232231007562
Energy: 0.9572688002097872
Energy: 1.0893506790053054
Energy: 0.8879902486937766
Energy: 0.8822337331013481
Energy: 0.8791734256756301
Energy: 0.883195262673297
Energy: 0.8841930305475426
Energy: 0.9420162411185822
Energy: 0.8842479208936296
Energy: 0.9006123434925274
Energy: 0.8945660191108773
Energy: 1.0942634552758312
Energy: 0.8579688343400209
Energy: 0.8854803591546502
Energy: 0.8575897488902812
Energy: 0.88773652802087
Energy: 0.8532114199813507
Energy: 0.886585432017528
Energy: 0.8835486347256422
Energy: 0.8845334013924228
Energy: 0.89212820972177
Energy: 0.8940442132225752
Energy: 0.9200154571250145
Energy: 0.8471499192015904
Energy: 0.8463486740318114
Energy: 1.1191671955998237
Energy: 1.094373972182007
Energy: 0.9506630955773439
Energy: 0.8852549817751534
Energy: 1.0939887655054001
Energy: 0.9346808223743737
Energy: 1.0892527534320575
Energy: 0.9270459382304818
Energy: 0.8448530487253092
Energy: 0.8477633600964032
Energy: 0.9130443953604319
Energy: 0.900795676335524
Energy: 0.9520940259757121
Energy: 0.929803625772556
Energy: 0.9129556596143621
Energy: 0.8952658952205218
Energy: 1.0959795201905875
Energy: 0.8869078411199735
Energy: 0.8855082474160093
Energy: 0.8972523232465953
Energy: 0.8818980955608446
Energy: 0.906106262468932
Energy: 0.9022039583440833
Energy: 0.8562764593867375
Energy: 0.8957262474240281
Energy: 0.8959783566262435
Energy: 0.919848519607795
Energy: 0.9015206769369178
Energy: 0.8851914431592626
Energy: 1.094415399862473
Energy: 0.8837238479121688
Energy: 0.8839837713580941
Energy: 0.8867760760158326
Energy: 0.88466106771518
Energy: 0.884685538364754
Energy: 0.9366543406524339
Energy: 0.9370803247529986
Energy: 0.9033280939935776
Energy: 0.8548745365892233
Energy: 0.8829056522331133
Energy: 0.8847181350939427
Energy: 0.8593761486098981
Energy: 0.8895024942135364
Energy: 0.8557978066884658
Energy: 0.855227543712956
Energy: 0.9043499218388523
Energy: 0.9370585933857459
Energy: 0.9580328211158272
Energy: 1.0942121437493395
Energy: 0.8845153021502001
Energy: 0.8873197292585788
Energy: 0.8575393939467308
Energy: 0.8893491526205732
Energy: 1.0948376488982219
Energy: 0.8564475782195016
Energy: 0.8974547585742632
Energy: 0.9197854275547037
Energy: 1.3394974280708627
Energy: 0.9200093982757634
Energy: 0.8838317367460318
Energy: 0.8851561377541217
Energy: 0.8844519408615111
Energy: 0.9275257216630513
Energy: 0.8853943431155432
Energy: 0.885776261316848
Energy: 0.8849251183838658
Energy: 1.094462823344517
Energy: 0.9574451127097992
Energy: 0.8861422597710599
Energy: 0.9117923752985277
Energy: 0.8454640647809631
Energy: 0.8920541302054795
Energy: 0.9202697068080984
Energy: 0.9142643906507659
Energy: 0.8849163633950444
Energy: 0.929590464677608
Energy: 0.9382105611698893
Energy: 0.9577200038020636
Energy: 1.0951387761242701
Energy: 0.8859237251106808
Energy: 0.8480832207247103
Energy: 1.1071728919855264
Energy: 1.119320650930745
Energy: 0.8842879712299161
Energy: 0.8570475868781948
Energy: 0.9210249878221685
Energy: 0.9201934337182318
Energy: 0.9386214919269715
Energy: 0.9132488735053981
Energy: 0.8839271001864195
Energy: 0.8892527271632429
Energy: 1.094597138613421
Energy: 0.8921430268796946
Energy: 0.883138416263482
Energy: 0.8863954914431562
Energy: 0.8628285379331315
Energy: 1.095851497479846
Energy: 0.9579773895432592
Energy: 0.8880543724691331
Energy: 0.8817615157042292
Energy: 0.8872306521604719
Energy: 0.8572234446657783
Energy: 0.891769483419837
Energy: 0.8564187774102987
Energy: 0.8813272418233908
Energy: 0.8867075497590802
Energy: 0.8549300842141369
Energy: 0.9585833679019266
Energy: 0.9360543461376447
Energy: 0.9385745374322891
Energy: 0.8862455081605988
Energy: 0.8834596026915492
Energy: 0.9000850154713395
Energy: 0.8838889434728364
Energy: 0.883905258239182
Energy: 1.094461096113971
Energy: 0.8854913273020063
Energy: 0.9016599416951712
Energy: 0.8936217141515255
Energy: 1.2943043507167895
Energy: 0.8857677070302332
Energy: 0.8840937046577217
Energy: 0.898670016319599
Energy: 1.1177137725896342
Energy: 1.0939228669792531
Energy: 0.8856637526141337
Energy: 0.8838409969227519
Energy: 0.88977980884116
Energy: 0.8442869900414942
Energy: 0.8943762328187225
Energy: 0.9178920188403172
Energy: 0.8482774879185799

minimum gb energy = 0.8442869900414942 eV
minimum distance =  2.31821463386349 Angstroms
sigma value = 185


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

Energy: 2.005499661102731
Energy: 0.9795705024782286
Energy: 1.2782835729472366
Energy: 1.1695869758138295
Energy: 1.1654681096140946
Energy: 1.2782200783888198
Energy: 1.2982929847117857
Energy: 1.2096735079744123
Energy: 1.1717535724709023
Energy: 0.9800051568374475
Energy: 0.981564059188037
Energy: 1.3010973195398081
Energy: 0.9897785637846706
Energy: 0.974069476024239
Energy: 0.9741855974281739
Energy: 0.9883463115830454
Energy: 1.2210647367132252
Energy: 1.3028560251602717
Energy: 1.2756056114648597
Energy: 1.1668038120169029
Energy: 1.0220251750929
Energy: 1.019682728498059
Energy: 1.163499839990668
Energy: 1.0167462650776626
Energy: 1.264084025436699
Energy: 0.9885384602547125
Energy: 1.0223798653960703
Energy: 1.0232621840360123
Energy: 0.9872577274175995
Energy: 0.9891425466169984
Energy: 1.0404024428698115
Energy: 0.9931455431654982
Energy: 1.0231932011873235
Energy: 0.9892549823435254
Energy: 1.165863897329733
Energy: 1.295988160594667
Energy: 1.3016979848820809
Energy: 1.2115901241951643
Energy: 0.9871057665139087
Energy: 1.0248047231783262
Energy: 1.0175579169394802
Energy: 1.0205506927961372
Energy: 1.0175003426008549
Energy: 0.9867833262327909
Energy: 0.9913238481701424
Energy: 1.0929377837564935
Energy: 1.2085342946922528
Energy: 1.3010866162427757
Energy: 1.1662092823817338
Energy: 1.0180057951167765
Energy: 1.0184399574012168
Energy: 1.0170040648380958
Energy: 1.0162879575064303
Energy: 1.1695822606580246
Energy: 1.018414217543501
Energy: 0.9806369032150232
Energy: 0.9890351413957994
Energy: 0.9910686780129015
Energy: 0.9803288237514269
Energy: 0.978625782578871
Energy: 0.9870630256258807
Energy: 0.9738826985463257
Energy: 1.2012732176071346
Energy: 1.2810580787919892
Energy: 1.3007802803938378
Energy: 1.2785623108076447
Energy: 1.3026604904835488
Energy: 1.265636462411485
Energy: 1.0063642566012712
Energy: 0.9904050210238825
Energy: 1.0159435559532317
Energy: 1.168200301520376
Energy: 1.1758464797057142
Energy: 0.9873895142334572
Energy: 1.0146045577266136
Energy: 1.2991706603019293
Energy: 1.1630751423616348
Energy: 0.9896482646214269
Energy: 1.0178203089888
Energy: 1.0193817016214786
Energy: 1.1647125241992557
Energy: 1.0155853754328672
Energy: 1.1725539196281796
Energy: 1.2782379331697797
Energy: 1.2815887161052302
Energy: 1.2780515687809333
Energy: 0.98867223950104
Energy: 0.9898257643211364
Energy: 1.0495470510617697
Energy: 1.0148080364238408
Energy: 1.0431058347818136
Energy: 1.0291062606975958
Energy: 0.9875784943560423
Energy: 1.2777231435966419
Energy: 1.2822399898783898
Energy: 1.2988431292359917
Energy: 1.171058148089902
Energy: 0.9884442306264931
Energy: 1.134286896618722
Energy: 0.9909600242967275
Energy: 1.1650709480810633
Energy: 0.9886063891682496
Energy: 1.1627433061400017
Energy: 1.0920033400965956
Energy: 0.9834971241487935
Energy: 0.9878242650266108
Energy: 1.1971739321363748
Energy: 0.9808543558413498
Energy: 1.0173075482403455
Energy: 1.0170447489708698
Energy: 1.165258145796258
Energy: 1.1752271662995208
Energy: 1.2812769729095368
Energy: 1.2976400427973058
Energy: 1.209346386169632
Energy: 1.1668323665784672
Energy: 0.98188305587195
Energy: 0.9753416866119184
Energy: 0.9882892572116623
Energy: 1.265762600768116
Energy: 1.5337022162585938
Energy: 0.9906236985774236
Energy: 0.9886961583011532
Energy: 1.2778003236979694
Energy: 1.301096635600477
Energy: 1.1645197154735352
Energy: 0.9886908005336172
Energy: 1.1704982158420203
Energy: 1.3074311522001425
Energy: 0.9899866365939073
Energy: 1.1651108603160156
Energy: 1.2779498805055234
Energy: 1.208613068224388
Energy: 1.2079456751991602
Energy: 0.9937072064977961
Energy: 0.9861027902889493
Energy: 1.0235017762628917
Energy: 1.0188502205194059
Energy: 1.0165582603230245
Energy: 1.1655521707512404
Energy: 1.166066526082961
Energy: 1.018697246749564
Energy: 1.2982670728413035
Energy: 1.2810766775648839
Energy: 1.016670472737009
Energy: 0.9883471018572726
Energy: 1.0153207218153972
Energy: 1.012842200715559
Energy: 1.01622295426093
Energy: 1.023342282306042
Energy: 0.9851953269623263
Energy: 0.980680194682261
Energy: 1.0960275615330872
Energy: 1.1635032526896485
Energy: 1.294827836940266
Energy: 1.0168442878018613
Energy: 1.0188559334401266
Energy: 1.0205776480872617
Energy: 1.1349590346163299
Energy: 0.9888638952490688
Energy: 1.0160059388481335
Energy: 1.2829025953738828
Energy: 1.2222413065086621
Energy: 0.9880757250640133
Energy: 0.9794565527538954
Energy: 0.9802712555006283
Energy: 1.2780656581142371
Energy: 1.01695974325558
Energy: 1.16536716600223
Energy: 1.1656863113247489
Energy: 1.2825466166190602
Energy: 1.2784632587754965
Energy: 1.2784671377245056
Energy: 1.3031180561905134
Energy: 1.0485634219936837
Energy: 0.9807158477247615
Energy: 0.9895051474590684
Energy: 0.9901230068591595
Energy: 0.9749849629577889
Energy: 1.2496101208888821
Energy: 0.9875924006549166
Energy: 1.0231972679694208
Energy: 1.2074168293022587
Energy: 0.988259865526065
Energy: 0.9903287674869001
Energy: 1.0184588674926658
Energy: 1.0197261430025724
Energy: 1.0165999544265922
Energy: 1.2239991770827612
Energy: 1.2965314257293334
Energy: 1.2792271651820393
Energy: 1.3006304467066152
Energy: 1.2062092823097894
Energy: 0.986690780692563
Energy: 1.0208782800506437
Energy: 1.0449927954985239
Energy: 1.0238406356739216
Energy: 1.1658493905653624
Energy: 1.164510669735972
Energy: 1.015952287775527
Energy: 0.9777599704478365
Energy: 1.2819871543397037
Energy: 1.2983593307234387
Energy: 1.1678599691646852
Energy: 1.020762843718679
Energy: 1.0201699216338576
Energy: 1.0217172405242334
Energy: 0.9942146061807515
Energy: 0.9861912308377162
Energy: 1.0158981934308426
Energy: 1.0919391239184388
Energy: 0.9912430205789696
Energy: 0.9883212436044111
Energy: 1.2474363852415027
Energy: 0.9799928413662258
Energy: 1.0160162287723198
Energy: 1.1640455942326233
Energy: 1.0173001662610222
Energy: 1.171937435349063
Energy: 1.0184660656877071
Energy: 1.2793938459482186
Energy: 1.2078381462429046
Energy: 1.2062991492619652
Energy: 0.9818355314401119
Energy: 0.9789522062796906
Energy: 0.9874469766971437
Energy: 1.2486120002532446
Energy: 1.1654652876723934
Energy: 1.2785002236298906
Energy: 1.2842125291889581
Energy: 1.280369295278284
Energy: 1.2120971325704017
Energy: 1.170464703075185
Energy: 1.0183541738508166
Energy: 1.0159097618993689
Energy: 1.0174119017053822
Energy: 1.1941345832131631
Energy: 0.9744289219985305
Energy: 0.9867928410944787
Energy: 0.9899651043257638
Energy: 1.2205251312723
Energy: 0.9911104716686404
Energy: 0.9888825187571373
Energy: 1.0155407247922723
Energy: 1.0204312729122207
Energy: 1.1658426421744974
Energy: 1.0160566575284455
Energy: 1.016679534308768
Energy: 1.2983552857167446
Energy: 1.2074299289796555
Energy: 1.2976568596515858
Energy: 1.0167764805655775
Energy: 0.9896619398201857
Energy: 1.0481050228163193
Energy: 1.0235323562803667
Energy: 1.0430264790055905
Energy: 0.9896297780830143
Energy: 1.1660302908211018
Energy: 1.2779656990243562
Energy: 1.2829385720458137
Energy: 1.1696481629839584
Energy: 1.266004383479374
Energy: 1.0164247776640554
Energy: 1.0154863725232797
Energy: 1.0168913002135322
Energy: 1.1642840689017613
Energy: 0.9886860139077865
Energy: 0.9894306921220961
Energy: 1.085694228245947
Energy: 0.9910444345507172
Energy: 0.9882732657791773
Energy: 0.9793165527412502
Energy: 0.9811197234935057
Energy: 1.163290561366151
Energy: 1.0182121200475973
Energy: 1.0161291632166232
Energy: 1.1703501929073918
Energy: 1.282268226111877
Energy: 1.297397070567028
Energy: 1.0188236293844246
Energy: 1.2679708177537692
Energy: 1.1650994388661222
Energy: 0.9792858246220071
Energy: 1.1692745211250744
Energy: 0.9903966491197379
Energy: 1.5323210879134619
Energy: 0.9902015682336114
Energy: 1.2062037589352814
Energy: 1.2971611920031711
Energy: 1.3009394013579791
Energy: 0.9873548133437495
Energy: 0.9846918573018985
Energy: 1.1364945271861673
Energy: 1.01585939594539
Energy: 1.1673267460516215
Energy: 1.1652230716013252
Energy: 1.3052979354722523
Energy: 0.9916647431712386
Energy: 0.9868310932203195
Energy: 0.9908238759568336
Energy: 0.9871540745051309
Energy: 1.0181953898927745
Energy: 1.0159595819400062
Energy: 1.0215281336206514
Energy: 1.0183791372735793
Energy: 1.1662595688086137
Energy: 1.2787609981938037
Energy: 1.2845890634859367
Energy: 1.2998985805536358
Energy: 0.989467442995324
Energy: 1.1651258631257293
Energy: 1.020401005970523
Energy: 1.0183631927349983
Energy: 1.0210954179301397
Energy: 1.0347791266557773
Energy: 0.9838147869184334
Energy: 0.9815702567391559
Energy: 0.9801871516343292
Energy: 1.2082009942783356
Energy: 1.2772177539152594
Energy: 0.9815778073624275
Energy: 1.1662803452999286
Energy: 1.020051671962481
Energy: 1.1673841852982172
Energy: 1.0158471626598267
Energy: 1.1647135219616946
Energy: 0.9944234224876524
Energy: 0.9811306952036362
Energy: 0.9858874591760778
Energy: 0.9798401865267485

minimum gb energy = 0.9738826985463257 eV
minimum distance =  2.30268872696303 Angstroms
sigma value = 33


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

Energy: 1.973760719002963
Energy: 0.9899903825654413
Energy: 1.0482582043354474
Energy: 1.018994035981643
Energy: 1.0548482575525238
Energy: 1.1435906746959554
Energy: 1.3026839082840556
Energy: 1.231307205129436
Energy: 1.0404841654786625
Energy: 0.9893532752190312
Energy: 1.009381092548927
Energy: 1.2257808470763207
Energy: 1.0533825111177177
Energy: 1.0922916728060423
Energy: 1.0973336045709872
Energy: 1.0512203449494677
Energy: 1.0179396631977888
Energy: 1.126932538662371
Energy: 1.0071340835302036
Energy: 1.0074272103997666
Energy: 1.0125179009722933
Energy: 1.1704733863319572
Energy: 1.0943868945934503
Energy: 1.0777869354180682
Energy: 1.0007739245102572
Energy: 1.0151069750890125
Energy: 1.0116971982434106
Energy: 1.0136916183501465
Energy: 1.0139726146658776
Energy: 1.0187289071171484
Energy: 1.0068984801216676
Energy: 1.0170051986390085
Energy: 1.0902524612944025
Energy: 1.0315732282629106
Energy: 1.0139506132308893
Energy: 1.0173007132898069
Energy: 1.1092748392143668
Energy: 1.017473082476154
Energy: 1.0073299586958806
Energy: 1.018125647399852
Energy: 1.0190351086041631
Energy: 1.0196139583150616
Energy: 1.0191284315992901
Energy: 1.017379681646107
Energy: 1.0528250405363107
Energy: 1.1088156763053587
Energy: 1.1548212232903332
Energy: 1.183752381312124
Energy: 1.0121712392851494
Energy: 1.009363279103201
Energy: 1.0545400677348826
Energy: 1.0681903104599249
Energy: 1.2161192026066847
Energy: 1.2003502639369004
Energy: 1.1935402116054312
Energy: 1.0120426144201768
Energy: 1.0827835225908236
Energy: 1.0564752594591509
Energy: 1.1745587926140948
Energy: 1.063852619244165
Energy: 1.0536241104492505
Energy: 1.06713701586708
Energy: 1.090549312042848
Energy: 1.126825557143258
Energy: 1.081709064781843
Energy: 1.0145593750777322
Energy: 1.026455732641436
Energy: 1.0184976163094193
Energy: 0.9984198620075913
Energy: 1.0826935991373214
Energy: 1.2026217847295553
Energy: 1.2073305373879217
Energy: 1.1211726509726108
Energy: 1.0214152445794429
Energy: 1.0064803395468267
Energy: 1.0666544085447374
Energy: 1.007950034656999
Energy: 1.029865148250821
Energy: 1.0147437265956378
Energy: 1.219313567861198
Energy: 1.2646162741083355
Energy: 1.201267852287325
Energy: 1.1098735425234298
Energy: 1.0075136540914322
Energy: 1.010622920490668
Energy: 1.0150404239624522
Energy: 1.0104578752316753
Energy: 1.0105065439492933
Energy: 1.0079601636476616
Energy: 1.012211156315149
Energy: 1.0065781154194449
Energy: 1.0528434977853995
Energy: 1.0309146540836722
Energy: 1.0337161653233886
Energy: 0.9961253587042379
Energy: 1.0204102918060238
Energy: 1.0300831708701206
Energy: 1.0080766086832607
Energy: 1.032272808093569
Energy: 1.047112131965186
Energy: 1.2717945356443805
Energy: 1.0980282926789569
Energy: 1.0020428852240169
Energy: 1.0622131543466549
Energy: 1.1342055639081852
Energy: 1.0241574923653567
Energy: 1.1057744035863248
Energy: 1.065631281720707
Energy: 1.2102432056647972
Energy: 1.2074080197739023
Energy: 1.2552726810416825
Energy: 1.0061138860661893
Energy: 1.0020715929173942
Energy: 1.010265329934539
Energy: 1.2256965010255594
Energy: 1.0640167072692601
Energy: 1.091736147912423
Energy: 1.066019040775721
Energy: 1.0081748798936196
Energy: 1.0140519334590412
Energy: 1.0174684557819766
Energy: 1.003614160087305
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Energy: 1.0043767026083643
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Energy: 1.206679100083025
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Energy: 1.1031115750644938
Energy: 1.2716529933054144
Energy: 1.0910614058509194
Energy: 1.066786355487583
Energy: 0.9905350122184794

minimum gb energy = 0.9789223512444908 eV
minimum distance =  2.31008492436109 Angstroms
sigma value = 219


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

Energy: 1.7285331266032704
Energy: 0.9124541495416845
Energy: 0.8998926717523595
Energy: 0.9148386630316838
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Energy: 0.9016600381790758
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Energy: 0.9163601390438622
Energy: 0.8736160320764594
Energy: 0.9139527204013175
Energy: 0.8714120284616308
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Energy: 0.9509817846218063
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Energy: 0.9059190883731245
Energy: 1.0029808403627898
Energy: 0.8418317641236125
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Energy: 0.9144061718878574
Energy: 0.8739318677687695
Energy: 0.9100395867797036
Energy: 0.8424415323327674
Energy: 0.8424474158678267
Energy: 0.9402289905191636
Energy: 0.8757648092944804

minimum gb energy = 0.8416635441364846 eV
minimum distance =  2.34009986596418 Angstroms
sigma value = 15


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

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Energy: 1.1250856941524643
Energy: 1.1922670506424948
Energy: 1.1680998398085756
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Energy: 1.135361518415839
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Energy: 1.1508341551025725
Energy: 1.1722970418941798
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Energy: 1.1499944595241411
Energy: 1.3980546722495562
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Energy: 1.15975470558081
Energy: 1.2739107475010438
Energy: 1.2743025466287388
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minimum gb energy = 1.093190070042703 eV
minimum distance =  2.30279966321836 Angstroms
sigma value = 293


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

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Energy: 1.1701959221654898
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Energy: 1.2292061640181735
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Energy: 1.1767876427689985
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Energy: 1.2310487937238024
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Energy: 1.152975536418198
Energy: 1.2150086506779898
Energy: 1.2013257082839275
Energy: 1.2121835169798907
Energy: 1.1798259994068294
Energy: 1.159746379234958
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Energy: 1.228329116818152
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Energy: 1.157242035801884
Energy: 1.1735340533951757
Energy: 1.2289252696752493
Energy: 1.1582068417802032
Energy: 1.209104194028991
Energy: 1.193962442856855
Energy: 1.1629747417183927
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Energy: 1.1934843438896419
Energy: 1.2791229482572704
Energy: 1.2035478744310288
Energy: 1.2288754767899288
Energy: 1.2227518485343798
Energy: 1.1626682859130542
Energy: 1.0918659269329867
Energy: 1.133397757829843
Energy: 1.143005221800269
Energy: 1.2385856642540867
Energy: 1.1622713345686806
Energy: 1.1945694639304687
Energy: 1.2296715024413418
Energy: 1.1923241251583994
Energy: 1.1503485607683226
Energy: 1.146037493004025
Energy: 1.2942651381716856
Energy: 1.102474172484464
Energy: 1.1280376166133526
Energy: 1.0933390673102314
Energy: 1.1484128456468718
Energy: 1.1293534305699446
Energy: 1.12364290996252
Energy: 1.1838430457304219
Energy: 1.2269121189216503
Energy: 1.2751405084410699
Energy: 1.2789228318916028
Energy: 1.1422217519257933
Energy: 1.1455452038412075
Energy: 1.0898501104285057
Energy: 1.1026352473604943
Energy: 1.1304806955920956
Energy: 1.1551709656430658
Energy: 1.1573848136317073
Energy: 1.2267119757844747
Energy: 1.2330963242658
Energy: 1.2190398964749811
Energy: 1.1864635700825983
Energy: 1.1607461138673831
Energy: 1.095794992890199
Energy: 1.1455534306652668
Energy: 1.2026993960339685
Energy: 1.1812916160676181
Energy: 1.1347132009077514
Energy: 1.1490736730535929
Energy: 1.2205682094510253

minimum gb energy = 1.0730582594555125 eV
minimum distance =  2.30880086906273 Angstroms
sigma value = 293


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

Energy: 1.1798300018879702
Energy: 1.091259666030051
Energy: 1.0247554268828432
Energy: 1.0963139169193805
Energy: 1.0233689767855103
Energy: 1.1034891930876
Energy: 1.0271696622858504
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Energy: 1.0220721806441566
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Energy: 1.0285604979911047
Energy: 0.9016675661627312
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Energy: 1.0932115505408886
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Energy: 1.1646042954636509
Energy: 0.9912311072508242
Energy: 1.1009541823947713
Energy: 1.0257527012471208
Energy: 1.0221387981857288
Energy: 1.0253957295256733
Energy: 1.1334989012262389
Energy: 1.0944960774103576
Energy: 1.168237783562154
Energy: 1.0202724178780858
Energy: 1.0229578620937794
Energy: 1.0985086951283545
Energy: 1.0294029593077818
Energy: 1.026909140494349
Energy: 1.0233046324836501
Energy: 1.0284372281221652
Energy: 1.023460990356962
Energy: 1.0183814106675466
Energy: 1.0296000625624662
Energy: 1.0939365753903671
Energy: 1.101940143982017
Energy: 1.095058140921871
Energy: 1.1005367202465077
Energy: 1.0222968686101117
Energy: 1.0245714284187035
Energy: 1.015959644235042
Energy: 1.0259348339093721
Energy: 1.0218291518457454
Energy: 1.0319810968474172
Energy: 1.0674513805920267
Energy: 1.023739032744118
Energy: 1.025618496138561
Energy: 1.182023197593496
Energy: 1.0221100406399037
Energy: 1.1030044773398862
Energy: 1.027818809619921
Energy: 1.0392487393045347
Energy: 1.0212353967009158
Energy: 1.0294230332535457
Energy: 1.0956761667040267
Energy: 1.0901734300365398
Energy: 1.0249078756921173
Energy: 1.1011777526733415
Energy: 0.9897255148568587
Energy: 1.0285349760639655
Energy: 1.0158995303069196
Energy: 1.0373679305275572
Energy: 1.0358375009822638
Energy: 1.1374275627505874
Energy: 1.092505279549736
Energy: 1.023716067820975
Energy: 1.0944418345373599
Energy: 1.0835572748445648
Energy: 1.0955461962209874
Energy: 1.0285668367889027
Energy: 1.032252772438921
Energy: 1.030059898051079
Energy: 1.0237939474176352
Energy: 1.0209599902556608
Energy: 1.0245200034583775
Energy: 1.1244222992649513
Energy: 0.9006826108306651
Energy: 1.0245298344750982
Energy: 1.1722969188336774
Energy: 1.1002403044054858
Energy: 1.0248244965921367
Energy: 1.019620417201613
Energy: 1.0227641723705894
Energy: 1.0193766002199456
Energy: 1.021908358303493
Energy: 1.026168522162202

minimum gb energy = 0.8983990253716547 eV
minimum distance =  2.38081290073779 Angstroms
sigma value = 15


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

Energy: 1.1703222416059453
Energy: 1.0253226753228248
Energy: 1.071519627689432
Energy: 1.0382456733449714
Energy: 1.1868514282590217
Energy: 1.0049263152739385
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Energy: 1.0027415903001518
Energy: 1.0717727788691316
Energy: 1.0395490255433593
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Energy: 1.006038745423696
Energy: 1.1982983963147804
Energy: 1.191902597551163
Energy: 1.2326897563910624
Energy: 1.1483770436691036
Energy: 1.0885031616186547
Energy: 1.0155757562817445
Energy: 1.0076901400956557
Energy: 1.015002536747285
Energy: 1.3710877792410698
Energy: 1.1971980536116567
Energy: 1.0028293558349013
Energy: 1.098077276994682
Energy: 0.9751617994085456
Energy: 1.1522047132954094
Energy: 1.0650406926046965
Energy: 1.0709927883383816
Energy: 1.01378047970287
Energy: 1.0104564117595676
Energy: 1.0592220129055216
Energy: 1.0015939403177014
Energy: 1.0095533061725717
Energy: 1.00909199548249
Energy: 1.1323264644349686
Energy: 1.0736361360508084
Energy: 1.145843235524946
Energy: 1.1926509466274526
Energy: 1.1877270485146947
Energy: 1.119832653215436
Energy: 1.063915171709878
Energy: 1.0102242724045525
Energy: 1.0002987457662316
Energy: 1.0346422063876755
Energy: 1.1434892234874379
Energy: 1.1435555302079665
Energy: 1.230459414668055
Energy: 1.1471260888044534
Energy: 1.0155504044068646
Energy: 1.056417843495861
Energy: 1.0561213805334295
Energy: 1.0585989354802556
Energy: 1.0543079120025238
Energy: 1.194838805628896
Energy: 1.1660759857831082
Energy: 1.1665391598656214
Energy: 1.1514122425363367
Energy: 1.1474421103017334
Energy: 1.110721993856169
Energy: 1.069114442561142
Energy: 1.0634667775348665
Energy: 1.1661332591252902
Energy: 1.1208649690082961
Energy: 1.0912022276526605
Energy: 1.0317038715167124
Energy: 1.004110518553715
Energy: 1.1360417481144773
Energy: 1.1332365515088565
Energy: 1.0020563908339732
Energy: 1.1165975497420595
Energy: 1.0625984324582705
Energy: 1.1159151522588346
Energy: 1.1596258792890117
Energy: 1.0855005273008984
Energy: 1.0872892362959479
Energy: 1.0427225339237
Energy: 1.1599474704672101
Energy: 1.08689850338207
Energy: 1.1829062364457859
Energy: 1.164368157825179
Energy: 1.1049335752001082
Energy: 1.1374279214966072
Energy: 1.1528120982859644
Energy: 1.0930001966827716
Energy: 1.0867190681412675
Energy: 1.1050312792385983
Energy: 1.1808787650322388
Energy: 1.090002386454533
Energy: 1.1866620925976379
Energy: 1.1578869702406556
Energy: 1.1732904859949023
Energy: 1.1623539882785905
Energy: 1.092120786108471
Energy: 1.1016852944760815
Energy: 1.094117517923597
Energy: 1.1720566122614948
Energy: 1.0973088913793725
Energy: 1.1479547525223728
Energy: 1.0301307861756344
Energy: 1.1571975987172984
Energy: 1.0938212810907606
Energy: 1.1378714529845122
Energy: 1.1510992433008929
Energy: 1.1075625260755124
Energy: 1.1567377713310836
Energy: 1.18052274996567
Energy: 1.088234765557909
Energy: 1.1580832027304269
Energy: 1.1065517959136686
Energy: 1.092481810751047
Energy: 1.0841023403066175
Energy: 1.0911390630142281
Energy: 1.097644525982048
Energy: 1.0614637756402323
Energy: 1.1672162502499268
Energy: 1.1821858053853131
Energy: 1.088178242216612
Energy: 1.1612216684683565
Energy: 1.0167809404481378
Energy: 1.086728057548522
Energy: 1.0892640912640188
Energy: 1.119940994044354
Energy: 1.1665070301245037
Energy: 1.166035369213776
Energy: 1.1639694450740032
Energy: 1.0543365062526124
Energy: 1.0407170654483917
Energy: 1.1897377197759198
Energy: 1.0037032299179955
Energy: 1.0331784808578555
Energy: 1.1867565782959482
Energy: 1.1673538273421797
Energy: 1.059296509867964
Energy: 1.0565377669216842
Energy: 1.0727819555388538
Energy: 1.0960440513758067
Energy: 1.174914912032851
Energy: 1.142815179995866
Energy: 1.0568699223757632
Energy: 1.1674834205456261
Energy: 1.091578979353529
Energy: 1.0042529473525976
Energy: 1.0110795465708455
Energy: 1.0689326018605205
Energy: 1.064369672520088
Energy: 1.014838760264581
Energy: 1.1476037735330236
Energy: 1.2138353086620979
Energy: 1.1783721223606023
Energy: 1.1424798746073768
Energy: 1.070046363136662
Energy: 1.0064750363275456
Energy: 1.0025697274979448
Energy: 1.0636022692052405
Energy: 1.1001202062179787
Energy: 1.1975308790227837
Energy: 1.191184045174503
Energy: 1.2661588221359508
Energy: 1.1930450691135048
Energy: 1.1318247144943372
Energy: 1.072496095340955
Energy: 1.0055435074387715
Energy: 1.007265281957146
Energy: 1.1906156254437075
Energy: 1.1870041493673873
Energy: 1.0140375485740347
Energy: 1.0733449653157938
Energy: 1.061054877263571
Energy: 1.1367094130051498
Energy: 1.0092931755868995
Energy: 1.1938071717078702
Energy: 1.192072113039427
Energy: 1.0713730177429537
Energy: 1.0868128990930181
Energy: 1.0138644086236364
Energy: 1.012670948265176
Energy: 1.0262510749351377
Energy: 1.0905783397020372
Energy: 1.1245287101122134
Energy: 1.2089082786938228
Energy: 1.2241247250930156
Energy: 1.0891196753953993
Energy: 1.0033536065409803
Energy: 1.111466945035486
Energy: 1.1179212548957715
Energy: 1.0132832266927467
Energy: 1.0556786711740296
Energy: 1.1506287958847523
Energy: 1.1558499851772632
Energy: 1.1761988722634729
Energy: 1.087064656471104
Energy: 1.152616962166448
Energy: 1.1183531870022825
Energy: 1.1145222221607674
Energy: 1.0951538416030482
Energy: 1.0180528863148004
Energy: 1.175327431018902
Energy: 1.1747723294111319
Energy: 1.1391898830006353
Energy: 1.1553303527390157
Energy: 1.159885219088534
Energy: 1.0208346374253605
Energy: 1.1823490958530172
Energy: 1.1101282361173344
Energy: 1.180039496878176
Energy: 1.141768095953893
Energy: 1.1412311338394492
Energy: 1.0563796838803983
Energy: 1.0144389404487202
Energy: 1.0882884153903458
Energy: 1.042496061892822
Energy: 1.1460241437311611
Energy: 1.1385982612756758
Energy: 1.1905068203336022
Energy: 1.1228743839769522
Energy: 1.0852514951006051
Energy: 1.1405583882538088
Energy: 1.1478403728549833
Energy: 1.103185745801921
Energy: 1.1656488697133411
Energy: 1.0113025799480753
Energy: 1.0918277640024465
Energy: 1.1366869073596115
Energy: 1.1564228744022595
Energy: 1.1801469129131201
Energy: 1.1880887961707405
Energy: 1.1577198448082884
Energy: 1.1395837113809235
Energy: 1.1657566477760373
Energy: 1.1586829806011718
Energy: 1.0192867949269147
Energy: 1.0545790997517437
Energy: 1.16499607824765
Energy: 1.1702303200569044
Energy: 1.0884953030074715
Energy: 1.0870630622322703
Energy: 1.1063211274974791
Energy: 1.0170237017990644
Energy: 1.145645128486822
Energy: 1.056567987868135
Energy: 1.1437674626457166
Energy: 1.1476412472537323
Energy: 1.0566344790444464
Energy: 1.0194512931314401
Energy: 1.1116079826643868
Energy: 1.1077937360962358
Energy: 1.1103052927312163
Energy: 1.0435073838305902
Energy: 1.039527179302993
Energy: 1.1394518992476972
Energy: 1.0795501644899894
Energy: 1.1345908794203428
Energy: 1.0568212236783254
Energy: 1.0078326279202094
Energy: 1.0137073751285244
Energy: 1.0854371356001673
Energy: 1.0029780357956413
Energy: 1.1965190670870738
Energy: 1.191345020118815
Energy: 1.1135036099520315
Energy: 1.1389130352754897
Energy: 1.0222288132543984
Energy: 1.070931399592456
Energy: 1.0180135562907178
Energy: 1.0221198253677228
Energy: 1.3677595872158834
Energy: 1.193394553050681
Energy: 1.0023151352851798
Energy: 1.0990760230739283
Energy: 0.975951499717758

minimum gb energy = 0.9751617994085456 eV
minimum distance =  2.32085086825746 Angstroms
sigma value = 437


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

Energy: 1.0924259325052759
Energy: 0.9695008126101949
Energy: 1.0198587252879756
Energy: 0.9957120302724897
Energy: 1.0166073089616527
Energy: 1.3041529725907524
Energy: 1.0088412727097562
Energy: 1.0195225957553011
Energy: 1.0700969664617102
Energy: 0.9716865248063212
Energy: 1.249802721415708
Energy: 1.1022864483226231
Energy: 1.0110810720087813
Energy: 1.0113701738480316
Energy: 1.0218181228982077
Energy: 1.0221212093637329
Energy: 1.0069010230611932
Energy: 1.0016983722502388
Energy: 1.048386609230492
Energy: 1.008219927005731
Energy: 1.1121515893830671
Energy: 0.9917392781530607
Energy: 1.007012420012826
Energy: 1.1131046338085766
Energy: 0.9951922990779166
Energy: 1.0437655649059008
Energy: 1.0547098048494983
Energy: 1.0115599549136027
Energy: 0.993999399457478
Energy: 1.201381730670182
Energy: 1.0050196414848256
Energy: 1.0010062824612815
Energy: 1.0948577695972297
Energy: 1.0536591140948828
Energy: 0.9928286681761468
Energy: 1.0089308433462312
Energy: 1.0134656905469657
Energy: 1.0527829321460116
Energy: 0.9660338500337086
Energy: 0.967516998602726
Energy: 1.0236218277581295
Energy: 1.0977948630311682
Energy: 1.047466416812742
Energy: 1.0744154425562085
Energy: 1.0479048929434684
Energy: 1.0054627853516784
Energy: 1.0117607066710539
Energy: 1.0085052262585834
Energy: 1.1074303366905578
Energy: 0.9990018396798749
Energy: 0.9957217046471342
Energy: 1.1952657124870143
Energy: 0.9938047780655658
Energy: 1.1081137265522663
Energy: 1.0047344491615637
Energy: 1.0180207655578777
Energy: 1.017417654668731
Energy: 1.0136720326693496
Energy: 1.111747749198903
Energy: 0.990310785497647
Energy: 0.9678157762748153
Energy: 1.0012890380715664
Energy: 1.0130757091925497
Energy: 1.1046793786861653
Energy: 1.0976926561225422
Energy: 1.011238357525852
Energy: 1.0533760720630843
Energy: 1.010239038598459
Energy: 1.081019892279249
Energy: 1.1062947352567731
Energy: 1.1684572952579808
Energy: 1.0239830883643686
Energy: 1.0535529550777714
Energy: 1.051470592069937
Energy: 1.014155590933656
Energy: 1.1280437325243728
Energy: 1.0668467442385523
Energy: 1.0489117861725459
Energy: 1.0047217010708542
Energy: 1.172079048396347
Energy: 1.11297008620313
Energy: 1.1002214677374855
Energy: 1.1043752572914403
Energy: 1.1013012613564659
Energy: 1.0009352797566329
Energy: 1.019514968341895
Energy: 1.0014689893819744
Energy: 1.007960033269379
Energy: 0.9948431229366578
Energy: 1.1948200856520992
Energy: 1.104607048955639
Energy: 0.9932957332413201
Energy: 1.102621521649875
Energy: 0.9956795202899491
Energy: 1.001066200037395
Energy: 1.0074125044661788
Energy: 0.995556120489306
Energy: 1.013806548087492
Energy: 0.9722966529394993
Energy: 1.007650219255654
Energy: 1.0735965332620165
Energy: 1.0434905755532224
Energy: 1.097065490465851
Energy: 1.0919528893699346
Energy: 0.9984899700007093
Energy: 1.0119992029864013
Energy: 1.0074680420913718
Energy: 1.0560763082047342
Energy: 0.97071971575836
Energy: 1.0584969415254517
Energy: 0.9992169100456896
Energy: 1.1011816667710752
Energy: 1.1005718083835183
Energy: 1.1046930053343023
Energy: 1.0147858645852914
Energy: 1.050742214284483
Energy: 1.0112916516713444
Energy: 1.007448881199922
Energy: 1.1073775006567315
Energy: 0.9939367113502018
Energy: 0.9942147665348089
Energy: 1.200403314774023
Energy: 0.9944786462266174
Energy: 1.109735626998648
Energy: 1.1023296728740546
Energy: 1.010928031748757
Energy: 1.0158791621942667
Energy: 1.0105834473444504
Energy: 1.1036513671569153
Energy: 0.9934917400541382
Energy: 1.1684228505975487
Energy: 1.0266123731164978
Energy: 1.0187296013753855
Energy: 0.9939458916225552
Energy: 1.0096776175019555
Energy: 1.0547286091555206
Energy: 1.0080828515115907
Energy: 1.0506373822264408
Energy: 1.0543848585542297
Energy: 0.969031820222483

minimum gb energy = 0.9660338500337086 eV
minimum distance =  2.3349302661079 Angstroms
sigma value = 33