Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535640529527
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.3071984400253597e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-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: 0.021231873314394124
Energy: 0.022434240348098038
Energy: 27.257798343669403
Energy: 0.02211108571535562
Energy: 0.022038810832327834
Energy: 27.084446774262503
Energy: 0.022326289704717766
Energy: 0.022186240946574898
Energy: 0.3725958333948915
Energy: 0.6777579913656796
Energy: 0.2622322042061267
Energy: 0.37228757496373593
Energy: 0.3721280506952145
Energy: 0.2621461598006435
Energy: 0.26221593293851925
Energy: 0.3726337244762682
Energy: 0.3730199912771647
Energy: 0.2623211235429003
Energy: 0.3727061078272528
Energy: 0.37225819426856
Energy: 0.2619084240811048
Energy: 1.825304827606878
Energy: 0.37261816602083736
Energy: 1.8112343522377328
Energy: 1.8283135994080861
Energy: 0.2619456253470964
Energy: 0.37265621962126627
Energy: 1.8247623385491254
Energy: 0.262272764170571
Energy: 0.3754884664759882
Energy: 0.6782513190163332
Energy: 0.262952280821451
Energy: 0.3727091084301472
Energy: 0.37263663139467784
Energy: 0.26188579718295163
Energy: 0.021886490818933096
Energy: 0.37269720601931106
Energy: 0.26193445598050497
Energy: 0.02228572892274568
Energy: 0.02226600334344339
Energy: 0.37235711029387814
Energy: 0.2624997446362192

minimum gb energy = 0.021231873314394124 eV
minimum distance =  2.68666737298319 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 3.6201016300585556
Energy: 2.4353266018111728
Energy: 7.2301103835691265
Energy: 2.134942979941369
Energy: 7.62397272782957
Energy: 7.69849655937749
Energy: 2.861350931556674
Energy: 2.0787880954277926
Energy: 2.127155893392823
Energy: 2.11428473537321
Energy: 2.1271544062170276
Energy: 2.0914583409433907
Energy: 2.1246854216354207
Energy: 2.0667558219941817
Energy: 2.0099713179823957
Energy: 2.0626700611578292
Energy: 2.054144771008586
Energy: 2.000816173923723
Energy: 2.0590443547697572
Energy: 2.0519188085823963
Energy: 2.00889182914086
Energy: 2.019572278097932
Energy: 2.077816024322432
Energy: 2.0459350848769686
Energy: 2.012694762959501
Energy: 2.0373575418645107
Energy: 2.073550157389407
Energy: 2.0308064330425664
Energy: 2.0136547311775117
Energy: 2.0300642782597365
Energy: 2.0375507533882136
Energy: 2.0096872836300594
Energy: 2.0336170525613406
Energy: 2.0289959439065965
Energy: 1.9867332417850683
Energy: 2.0670431299258802
Energy: 2.0290788413186545
Energy: 1.98853486625172
Energy: 2.03962765903044
Energy: 2.025744437382391
Energy: 1.9891610998240872
Energy: 2.046375504398872
Energy: 2.06862558331285
Energy: 2.004386976686841
Energy: 2.0115268421249475
Energy: 2.061027176659335
Energy: 2.0643241760442064
Energy: 1.9998449080905036
Energy: 2.018242360434842
Energy: 2.049928575769256
Energy: 1.9811533401445776
Energy: 2.004649473781607
Energy: 2.081575713449238
Energy: 2.033053972899659
Energy: 1.9959717509088926
Energy: 2.0400054576818096
Energy: 2.198432732265739
Energy: 2.100136620134654
Energy: 2.0647290483194674
Energy: 2.10069200690821
Energy: 2.084115503176327
Energy: 2.0831734762329748
Energy: 2.092311129160085
Energy: 2.199767040488014
Energy: 2.1052637327547554
Energy: 2.088317226608836
Energy: 2.1040905069176095
Energy: 7.34228688032286
Energy: 1.9946593597276114
Energy: 2.144204010355675
Energy: 2.120610999309917
Energy: 2.103750764048343
Energy: 2.058366479759608
Energy: 2.1171871824411648
Energy: 2.093948425641878
Energy: 2.057398143048203
Energy: 2.169865672957082
Energy: 2.159163027661852
Energy: 2.04988960160908
Energy: 2.006212252347292
Energy: 2.166393530844699
Energy: 2.11239276400782
Energy: 2.052260475069036
Energy: 2.0208220318906056
Energy: 2.06215069336475
Energy: 1.9816705446311589
Energy: 2.0079365702271423
Energy: 2.039079173432493
Energy: 2.0358369340008755
Energy: 1.9828079604481503
Energy: 2.0372517239427648
Energy: 1.9773752660729602
Energy: 2.1289906433886494
Energy: 1.954481919357517
Energy: 1.98937329521214
Energy: 1.9606816567492027
Energy: 1.9951251259440366
Energy: 2.11935228198238
Energy: 1.9703272201050601
Energy: 1.943260877922997
Energy: 1.9643061063759333
Energy: 1.9961740971732223
Energy: 1.953273107419046
Energy: 1.9840755540309867
Energy: 1.9853490590774545
Energy: 1.9576496769041791
Energy: 1.962292969560607
Energy: 1.9612397577270537
Energy: 1.9944428902695492
Energy: 1.957004076265192
Energy: 1.9781774140519073
Energy: 1.9669829304673463
Energy: 1.961578345524422
Energy: 1.9576865265996197
Energy: 2.043801448794907
Energy: 1.9911105089260928
Energy: 1.952916006816348
Energy: 2.041096069163656
Energy: 1.9808320855498045
Energy: 2.161658769281382
Energy: 1.9840806393156538
Energy: 2.088619317131966
Energy: 2.0070393379316407
Energy: 2.0780219144288
Energy: 2.0877337101538282
Energy: 2.046941557911081
Energy: 2.097422750907244
Energy: 2.1102112616766404
Energy: 2.0988472610307127
Energy: 2.0841579330319866
Energy: 2.0628922565162213
Energy: 2.1270643466429706
Energy: 2.09417446406597
Energy: 2.084520901349563
Energy: 2.1155157268783706
Energy: 2.1821470489177033
Energy: 2.088777007064063
Energy: 2.070873972689478
Energy: 2.0773911802879153
Energy: 2.1094786975424817
Energy: 1.9660734733392586
Energy: 2.0719437454897793
Energy: 2.0893430029623077
Energy: 2.0344066325374612
Energy: 2.025213744421395
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Energy: 2.0433699895471364
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Energy: 2.1481975242163696
Energy: 2.0841062525588714
Energy: 2.086120659978875
Energy: 2.135526008063723
Energy: 2.1334788529271127
Energy: 2.098637529676378
Energy: 1.938243470269146
Energy: 1.9712078121202516
Energy: 1.9715363419047776
Energy: 1.9023416879408972
Energy: 1.9385467591624395
Energy: 2.0070836070235107
Energy: 1.914020494287084
Energy: 1.9202814392230088
Energy: 1.9883682045836384
Energy: 1.9730085388673981
Energy: 1.9149091138167937
Energy: 1.9639028364551394
Energy: 2.001097069353066
Energy: 1.9474669724256883
Energy: 1.9326849322511177
Energy: 1.9777478289876729
Energy: 1.9591493592585862
Energy: 1.9293687950438545
Energy: 1.9600125125147552
Energy: 2.0091367421383857
Energy: 1.9112678474779818
Energy: 2.109313217280994
Energy: 2.1529426077944764
Energy: 2.07899187213533
Energy: 2.0947338397492783
Energy: 2.0186853234993567
Energy: 2.0105759534016507
Energy: 2.10316339848661
Energy: 1.9416862594882798
Energy: 2.131567350989102
Energy: 1.9265459129388163
Energy: 1.989930661237369
Energy: 1.9632166052308135
Energy: 2.0476849878699688
Energy: 2.0882713272497386
Energy: 2.1584054888878375
Energy: 2.1707896390501333
Energy: 2.128061711089547
Energy: 2.1143413340824586
Energy: 2.077595504928267
Energy: 2.0117554301875833
Energy: 2.1259615250749055
Energy: 2.021931297234422
Energy: 2.2331432605147365
Energy: 2.11623991612525
Energy: 2.036682042754518
Energy: 2.180036222705961
Energy: 2.1067939378570117
Energy: 2.1219663690093196
Energy: 2.1650733468700354
Energy: 1.9806804540604563
Energy: 2.005957025183311
Energy: 2.121658915229615
Energy: 2.048735562058921
Energy: 1.9921977113564548
Energy: 1.9839943447800135
Energy: 2.2145109185975618
Energy: 2.1518812633298943
Energy: 2.095626003680227
Energy: 2.093817353017788
Energy: 2.1324144524729296
Energy: 2.097192224726702
Energy: 2.071910756106071
Energy: 1.9694669704824452
Energy: 1.9686595999711112
Energy: 1.910203349615126
Energy: 2.008180723214674
Energy: 1.9792931598072658
Energy: 1.9140587226560686
Energy: 1.9562736859999497
Energy: 1.9959199328376218
Energy: 1.9046059323192828
Energy: 1.9693214556663399
Energy: 2.010661184611664
Energy: 1.9886291061092918
Energy: 1.9210071291847546
Energy: 1.974268246593545
Energy: 1.9579693898399244
Energy: 1.9443383769237956
Energy: 1.898340158162015
Energy: 2.0012044714977604
Energy: 1.9862089714296962
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Energy: 1.973638575786436
Energy: 2.1492327164382847
Energy: 2.014218496749522
Energy: 2.087697321040287
Energy: 2.0613278149887155
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Energy: 2.077169895393122
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Energy: 2.019532412620137
Energy: 2.08617122872629
Energy: 2.0966553722144416
Energy: 2.1335929950665986
Energy: 2.0838967539306665
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Energy: 2.1047351891461528
Energy: 2.1623942259942748
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Energy: 2.106030082516367
Energy: 2.1377471467407787
Energy: 2.1051128751064057
Energy: 2.200225715379833
Energy: 2.1181486060628596
Energy: 2.1525867917697923
Energy: 2.0943547271675125
Energy: 2.132045546059001
Energy: 2.083589930230925
Energy: 2.081537829307823
Energy: 2.1581123488197966
Energy: 2.1196732695680884
Energy: 2.1269685785951937
Energy: 1.999419535416182
Energy: 1.9532396757947508
Energy: 6.948011337414534
Energy: 2.012748505324721
Energy: 2.1343541082473934
Energy: 1.9438985764302656
Energy: 1.9523096423137214
Energy: 1.976618409781399
Energy: 2.0104421421430683
Energy: 1.9546888615110265
Energy: 1.9813309363061724
Energy: 2.0174340172123904
Energy: 1.9603771151987244
Energy: 1.957932915174922
Energy: 1.989300547091751
Energy: 1.9812308676196753
Energy: 1.9602205141100975
Energy: 1.9934127748544432
Energy: 1.9590993040195255
Energy: 1.9423242329101305
Energy: 1.9641777380401997
Energy: 1.974304355521866
Energy: 1.958317087043076
Energy: 1.9608112399013098
Energy: 1.9955882282827573
Energy: 1.9948579740459742
Energy: 2.202253905356613
Energy: 2.150510817995381
Energy: 2.1090391231253065
Energy: 2.0730100289854483
Energy: 2.0630836238441654
Energy: 2.128196789718721
Energy: 2.0551222149708916
Energy: 1.9737498914952376
Energy: 2.0454288280598365
Energy: 2.0512011668493764
Energy: 1.9852242669748958
Energy: 2.037514495178936
Energy: 2.044246823227567
Energy: 1.9910716310608136
Energy: 2.065682762180342
Energy: 2.1268873548673244
Energy: 2.0508783559670243
Energy: 1.99441845026215
Energy: 2.1086566615472564
Energy: 2.162414775621565
Energy: 2.005222387482321
Energy: 2.0699743355754086
Energy: 2.10259450048017
Energy: 2.123732416950132
Energy: 2.060132139050238
Energy: 2.0924994355168587
Energy: 2.126576952506606
Energy: 2.0585201418637005
Energy: 2.0987773985416247
Energy: 2.1011920536416597
Energy: 2.210659060100154
Energy: 1.9954163960748106
Energy: 1.9862516920879012
Energy: 2.1914241668937806
Energy: 2.060758606314894

minimum gb energy = 1.898340158162015 eV
minimum distance =  2.46874519444562 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 3.0214032611391026
Energy: 2.050071779329751
Energy: 8.449789794069693
Energy: 2.3714671653320893
Energy: 2.4181413574761943
Energy: 8.190471807385224
Energy: 2.4677816334154885
Energy: 2.1215652917785044
Energy: 2.019515383340578
Energy: 2.11714102031125
Energy: 2.117902742375143
Energy: 1.990725605346543
Energy: 2.080036927567708
Energy: 2.0179326665974444
Energy: 2.042978545531609
Energy: 2.176432464963558
Energy: 2.1619687830922913
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Energy: 2.049007970670901
Energy: 2.0340526807718886
Energy: 2.128162188898409
Energy: 2.0872575440226697
Energy: 2.096477219507646
Energy: 2.0883808321375428
Energy: 2.121281150657948
Energy: 2.108702771120641
Energy: 2.0946490967742277
Energy: 2.1348692073875006
Energy: 2.109967068995784
Energy: 2.0865809638429718
Energy: 2.2326539026688086
Energy: 2.078850197407971
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Energy: 2.2046034753980894
Energy: 2.0604628518868466
Energy: 2.1140568841934395
Energy: 2.252369081112629
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Energy: 2.0952842011355104
Energy: 2.188137879824032
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Energy: 2.105807048949416
Energy: 2.1081514814758404
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Energy: 1.970678057645792
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Energy: 1.9983639960374258
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Energy: 2.056276842168414
Energy: 1.9921934326035333
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Energy: 2.0201273167029923
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Energy: 2.0121116049004875
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Energy: 1.9796988106668656
Energy: 1.9703919571591788
Energy: 2.0936450831143945
Energy: 1.9991179004660216
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Energy: 2.053955979441554
Energy: 2.335661645404405
Energy: 2.0896173481552163
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Energy: 2.197914037829178
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Energy: 2.208843999330322
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Energy: 2.0226105324771932
Energy: 2.1396742878429507
Energy: 2.0798167722027525
Energy: 2.033334759884169
Energy: 2.121991340193347
Energy: 2.08831634322603
Energy: 2.2377480744378246
Energy: 2.0790704823275417
Energy: 1.8990573409955744
Energy: 2.0908372116970506
Energy: 2.1741021785468573
Energy: 1.8981925030371207
Energy: 1.8985157988839492
Energy: 8.15668917395895
Energy: 2.0208221842811636
Energy: 2.0663863407141907
Energy: 2.0034809356410133
Energy: 2.169838352576918
Energy: 2.0106533482288707
Energy: 2.010610669791506
Energy: 2.203536020804748
Energy: 2.0465939663766597
Energy: 2.022027561351499
Energy: 2.0514786667918594
Energy: 2.1613043434736667
Energy: 2.019817900526942
Energy: 2.016107441506398
Energy: 2.097757015910534
Energy: 2.0176351487996267
Energy: 2.0499521024639833
Energy: 2.1846466066770107
Energy: 2.071847662130217
Energy: 2.0372313186042668
Energy: 2.0736536522966755
Energy: 2.18183446775137
Energy: 2.102513166209906
Energy: 2.0939222450003387
Energy: 2.1423339606041862
Energy: 2.0963043733089117
Energy: 2.080700144544481
Energy: 2.1134914295800273
Energy: 2.1688885214370677
Energy: 2.0870266549046086
Energy: 2.19552694458909
Energy: 2.0938074353990017
Energy: 2.0654057036478126
Energy: 2.1711749567459875
Energy: 2.1437924132942983
Energy: 2.060533436289502
Energy: 2.1130202621041785
Energy: 2.2446691816922337
Energy: 2.050161524338466
Energy: 2.10914811757322
Energy: 2.186240151450773
Energy: 2.2306185045382807
Energy: 2.0510064215453707
Energy: 2.067162973446235
Energy: 2.227279780920853
Energy: 2.087825656615702
Energy: 2.070938387819966
Energy: 2.167775090770615
Energy: 2.0853361391852627
Energy: 2.036430234232941
Energy: 2.168854321937569
Energy: 2.191021781043317
Energy: 2.051821492980214
Energy: 2.124584833596803
Energy: 2.0720189750962126
Energy: 2.055011731364449
Energy: 2.096326662132773
Energy: 2.2134243369975093
Energy: 2.2606877752968333
Energy: 2.008477205626584
Energy: 2.020168844752967
Energy: 2.2174147342066886
Energy: 11.761357754674403
Energy: 2.165708275883028
Energy: 2.1300630395150777
Energy: 2.0531171041532503
Energy: 2.052485465361018
Energy: 2.049233705773054
Energy: 2.074893791303733
Energy: 2.054572960965605
Energy: 2.1834859106812345
Energy: 2.169756846994048
Energy: 2.228847876588778
Energy: 2.091918620917033
Energy: 2.034289810403701
Energy: 2.1879348842215425
Energy: 2.0489841537807982
Energy: 2.0542902581849267
Energy: 2.147600857428398
Energy: 2.3349195599924175
Energy: 2.0528569346962238
Energy: 2.0589159968614714
Energy: 2.226265055108946
Energy: 2.174700409039063
Energy: 2.057984769208434
Energy: 2.058820569265148
Energy: 2.2186042403868207
Energy: 2.0476888818140195
Energy: 2.0347272479549856
Energy: 2.158073704424329
Energy: 2.0847629393465796
Energy: 2.037643668072393
Energy: 2.057969634940031
Energy: 2.0211519771498927
Energy: 1.988017843699458
Energy: 2.0583871034706824
Energy: 2.0754063870429156
Energy: 1.9954213125059552
Energy: 2.0384421272727615
Energy: 2.0533753935765984
Energy: 2.0100941924869744
Energy: 2.029759551336151
Energy: 2.0477850490868312
Energy: 2.0096583405867965
Energy: 2.009823532479385
Energy: 2.0495104616309057
Energy: 2.0462894765492945
Energy: 1.9801832142547895
Energy: 1.9850986787424456
Energy: 2.1091581821008676
Energy: 1.9943598789191652
Energy: 1.9718718462980298
Energy: 2.0633087711133515
Energy: 1.9979664762936986
Energy: 2.1495265986241727
Energy: 2.0913397862238012
Energy: 2.243538600898398
Energy: 2.019464826933658
Energy: 2.1693786300944335
Energy: 2.3324425149479344
Energy: 2.0162815474010953
Energy: 2.027119571175648
Energy: 2.028597257060322
Energy: 2.2270570564142558
Energy: 2.0172962205039213
Energy: 2.0366371870449695
Energy: 2.3303361561007216
Energy: 2.0930543099306327
Energy: 2.157410140504551
Energy: 2.0786123709163675
Energy: 2.22317750746241
Energy: 2.11874219318864
Energy: 2.1411741612862865
Energy: 2.441225008373648
Energy: 2.0583654547759695
Energy: 2.023984824735659
Energy: 2.086044071610303
Energy: 2.2199640212009433
Energy: 2.011155941432449
Energy: 2.0109471980908835
Energy: 2.0302978420454507
Energy: 2.072171736006976

minimum gb energy = 1.8981925030371207 eV
minimum distance =  2.39643704573151 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.302700862228668
Energy: 2.4367379741033806
Energy: 7.944918800237735
Energy: 2.2988660543868034
Energy: 2.298444458866583
Energy: 7.800857500638847
Energy: 2.3061178838126497
Energy: 2.113762095654991
Energy: 2.208981049265238
Energy: 2.01779299000512
Energy: 2.0183053017165222
Energy: 2.0456317584373362
Energy: 2.0364595817193387
Energy: 2.035760370116457
Energy: 2.1040438455789214
Energy: 2.1197867006657556
Energy: 2.0306710298642123
Energy: 1.9882892051811596
Energy: 2.0043770148635263
Energy: 2.022476403590326
Energy: 2.0167680891991764
Energy: 2.261833333116328
Energy: 2.078896673097439
Energy: 2.035074193589732
Energy: 2.2050553210434862
Energy: 2.145378873661238
Energy: 1.9161464998405955
Energy: 2.0374536553336213
Energy: 2.175131724394957
Energy: 2.1653548825204574
Energy: 2.024977274201786
Energy: 1.9897405467205833
Energy: 2.112629651111303
Energy: 2.1215806824628776
Energy: 2.1402759685591666
Energy: 2.2683211912599135
Energy: 2.237599144017763
Energy: 2.231765765081739
Energy: 2.2473403146684006
Energy: 2.2656496731730984
Energy: 2.2263095864931612
Energy: 2.225082523180396
Energy: 2.2729306388098087
Energy: 2.270175906896652
Energy: 2.240137864388613
Energy: 2.247691724400969
Energy: 2.249611763968145
Energy: 2.2632342728095525
Energy: 2.235713889298184
Energy: 2.245995070397752
Energy: 2.3077093999246907
Energy: 2.2994558777913654
Energy: 2.259674262074522
Energy: 2.263908389189471
Energy: 2.2914214515249975
Energy: 2.246686826125947
Energy: 2.1922582792912153
Energy: 2.3277137054107198
Energy: 2.4005715096175733
Energy: 2.3296807620863835
Energy: 2.3304406135108757
Energy: 2.406312479929532
Energy: 2.312880221392648
Energy: 2.1992505645963267
Energy: 2.284795265696139
Energy: 2.265064402747813
Energy: 2.2305851655870335
Energy: 2.315473553581358
Energy: 2.3456381496168324
Energy: 2.288609618430912
Energy: 2.199986308689156
Energy: 2.327570300945858
Energy: 2.1927972160650477
Energy: 2.1807487063685396
Energy: 2.1454136022709056
Energy: 2.205696466050452
Energy: 2.3080454051527224
Energy: 2.2927684697986037
Energy: 2.278126275182577
Energy: 2.3312605535641784
Energy: 2.2350323176951785
Energy: 2.2749036483070872
Energy: 2.255201747724195
Energy: 2.210690803145941
Energy: 7.897755857174565
Energy: 3.2601890906239794
Energy: 2.2499817879275885
Energy: 7.845574034683655
Energy: 2.262524286437102
Energy: 2.1783933194987637
Energy: 2.3132147824060674
Energy: 2.1802371166501917
Energy: 2.10476761944545
Energy: 2.2055452448571566
Energy: 2.1829617794839966
Energy: 2.155196143571454
Energy: 2.0834362229415144
Energy: 2.1022111168157362
Energy: 2.1719148280647964
Energy: 2.1095520478527776
Energy: 2.0800402742529265
Energy: 2.1271495870498014
Energy: 2.1604300025899437
Energy: 2.1032368473882515
Energy: 2.132289236586271
Energy: 2.1141287367793264
Energy: 2.2403465215502445
Energy: 2.1800297113584244
Energy: 2.155344378377036
Energy: 2.137848716781641
Energy: 2.2481781734826267
Energy: 2.109410577114751
Energy: 2.1594158951286557
Energy: 2.132106751178386
Energy: 2.158910055153316
Energy: 2.1403662379263895
Energy: 2.1734694417868043
Energy: 2.1109841542568994
Energy: 2.1270993200146786
Energy: 2.2561494392650676
Energy: 2.2627731997863934
Energy: 2.2323003424314467
Energy: 2.2323945722864296
Energy: 2.248667013410208
Energy: 2.26350204295386
Energy: 2.223479294740658
Energy: 2.28154501804426
Energy: 2.296004052826938
Energy: 2.200397457154725
Energy: 2.225157344184342
Energy: 2.2924770537765293
Energy: 2.2349946254555806
Energy: 2.2165712012654692
Energy: 2.3054677425714063
Energy: 2.2939298836949242
Energy: 2.1822751560978113
Energy: 2.1749460498741393
Energy: 2.2435326989709847
Energy: 2.0860540377972137
Energy: 2.2097062342763403
Energy: 2.269607298089545
Energy: 2.2449808284000263
Energy: 2.259636227249105
Energy: 2.282149977383482
Energy: 2.356568285987134
Energy: 2.2443755241778134
Energy: 2.2676094987050326
Energy: 2.22637099645678
Energy: 2.318528773248193
Energy: 2.2799652001795434
Energy: 2.2485872891715806
Energy: 2.315134735240693
Energy: 2.284426790436425
Energy: 2.2358364046135475
Energy: 2.1962791146629046
Energy: 2.2568809261106515
Energy: 2.213959432342732
Energy: 2.1747013990027857
Energy: 2.2894144150175526
Energy: 2.164590942141192
Energy: 2.2143331436726204
Energy: 2.255475601769927
Energy: 2.270350033552889
Energy: 2.1898356546747313
Energy: 2.190662514335952
Energy: 2.236441439674946
Energy: 2.1880333429703933
Energy: 2.223659353289053
Energy: 2.1935743901305322
Energy: 2.2365462644242826
Energy: 2.2328011099354037
Energy: 2.189446370972516
Energy: 2.190966472127962
Energy: 2.236130905034404
Energy: 2.247833759783708
Energy: 2.0737917782825352
Energy: 2.070743182693826
Energy: 2.075320144917896
Energy: 2.1387310575507907
Energy: 2.1132249688260525
Energy: 2.1786505777320087
Energy: 2.1623094588151264
Energy: 2.0827747501370792
Energy: 2.2012928247016488
Energy: 2.1750295206424424
Energy: 2.0851736067935454
Energy: 2.125749680328515
Energy: 2.178987830105916
Energy: 2.0880659711688643
Energy: 2.1445052308448944
Energy: 2.0701992232688724
Energy: 2.3039489767346875
Energy: 2.118731641948649
Energy: 2.094475100555524
Energy: 2.1075216395713965
Energy: 2.2376522488879633
Energy: 2.1180719157657486
Energy: 2.1485452800432556
Energy: 2.132663562992565
Energy: 2.136841721580853
Energy: 2.1279498625361897
Energy: 2.135477759765609
Energy: 2.119131931653002
Energy: 2.2322585024598087
Energy: 2.251747554202015
Energy: 2.3120392228590005
Energy: 2.272595536676082
Energy: 2.2677743178952605
Energy: 2.225073971902013
Energy: 2.303521434948535
Energy: 2.258605281839856
Energy: 2.2810262943922335
Energy: 2.293148820769964
Energy: 2.201089315741034
Energy: 2.1755550205829453
Energy: 2.259054148136892
Energy: 2.3008563604024
Energy: 2.2620175488112113
Energy: 2.2972549656661374
Energy: 2.190208835583054
Energy: 2.160811338391793
Energy: 2.171724114716014
Energy: 2.2720996205078223
Energy: 2.228626028301596
Energy: 2.305294324826104
Energy: 2.225410806772887
Energy: 2.249850363849459
Energy: 2.3425658574842894
Energy: 2.4048113509868037
Energy: 2.1057162742026105
Energy: 2.2751948822763675
Energy: 2.289844454766735
Energy: 2.226528739784445
Energy: 2.1651714052726607
Energy: 2.1541402288033678
Energy: 2.2083605386074043
Energy: 2.149668499035882
Energy: 2.136216309033486
Energy: 2.247793173995943
Energy: 2.186647495124393
Energy: 2.1660445484847086
Energy: 2.150215951476603
Energy: 2.1621946996477623
Energy: 2.1424002488668505
Energy: 2.1707547393527493
Energy: 2.2170095386728113
Energy: 2.3172600145284155
Energy: 2.2196104770736347
Energy: 2.189338718545791
Energy: 2.190609251816506
Energy: 7.747674141007377
Energy: 2.2064758268472833

minimum gb energy = 1.9161464998405955 eV
minimum distance =  2.44116972589393 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 2.5437047850086913
Energy: 2.2148589475604865
Energy: 9.972133502521684
Energy: 2.188494463699236
Energy: 2.1877340593529917
Energy: 10.11629904586301
Energy: 2.3205389188230177
Energy: 1.9253590079687966
Energy: 2.028773488664475
Energy: 2.028389511978448
Energy: 2.049500504590659
Energy: 2.0053527108279634
Energy: 2.0215689058642807
Energy: 2.066244930027169
Energy: 2.0238267669556413
Energy: 2.030832637937577
Energy: 1.9707255690223264
Energy: 2.0260264161398926
Energy: 2.0273685326865634
Energy: 1.9821643192481466
Energy: 2.076766988039117
Energy: 2.1249778327983684
Energy: 1.8462815147890355
Energy: 2.049216939242208
Energy: 2.0596157938513002
Energy: 1.942926614426784
Energy: 1.8456512476752216
Energy: 2.059564504634051
Energy: 2.0830066238883505
Energy: 1.9888801499269613
Energy: 1.9775105501216257
Energy: 1.9917187102704907
Energy: 2.062630349630628
Energy: 1.9776948495680027
Energy: 1.9610981759373807
Energy: 2.0582531825668906
Energy: 1.9872751450689854
Energy: 1.954715824918922
Energy: 2.001843889165338
Energy: 2.034938023990465
Energy: 1.9786658269739226
Energy: 1.9509408604842051
Energy: 2.0005231436443633
Energy: 2.0192082588425015
Energy: 1.967008289441765
Energy: 1.9760715554341106
Energy: 1.9965014665189373
Energy: 1.9877128184684447
Energy: 1.965032509357717
Energy: 1.994492420632133
Energy: 2.0145230587970593
Energy: 2.0536638102492972
Energy: 1.9898926064590845
Energy: 2.000973595958117
Energy: 2.0288007810165443
Energy: 2.091929616269598
Energy: 2.120924555551863
Energy: 2.129755685318153
Energy: 2.236561461256174
Energy: 2.110743777062015
Energy: 2.1308381646503465
Energy: 2.2410705431711935
Energy: 2.1343353642122906
Energy: 2.1098456892179187
Energy: 2.1304964126004964
Energy: 2.238107344091846
Energy: 2.121631521316161
Energy: 2.1295449328311906
Energy: 2.2596641446079655
Energy: 2.1994359783200497
Energy: 1.9976034931626263
Energy: 2.0888725971796482
Energy: 2.0348988065042843
Energy: 2.0830717601052737
Energy: 2.1043096440374724
Energy: 2.085883819224013
Energy: 2.0703695479818554
Energy: 2.0657091021160556
Energy: 1.9967382327187828
Energy: 1.9892082271813156
Energy: 2.045768353478076
Energy: 2.0236532124524262
Energy: 2.069552057028959
Energy: 2.072790951113385
Energy: 2.1213505780279838
Energy: 2.18098470571629
Energy: 2.3092936846383108
Energy: 2.2012397788718103
Energy: 2.2377200130852613
Energy: 2.199931457566183
Energy: 2.3124844564808975
Energy: 2.023976612549668
Energy: 2.0435406756512604
Energy: 1.9783281420867065
Energy: 2.0274524899429567
Energy: 1.9699951031325242
Energy: 2.151067030911905
Energy: 2.0674704520398746
Energy: 2.076970787915708
Energy: 2.1958020577883475
Energy: 2.23852287978746
Energy: 2.1557342472429832
Energy: 2.1165418869595167
Energy: 2.2598953528260988
Energy: 2.1173042402067126
Energy: 2.1869244114846134
Energy: 9.725031326677753
Energy: 10.124857988068957
Energy: 2.212895992376392
Energy: 2.190270375098328
Energy: 9.799093653862053
Energy: 2.1871334917589884
Energy: 2.024392627583502
Energy: 2.0288819440839965
Energy: 2.028224579386216
Energy: 2.0492163693011105
Energy: 2.004961812154322
Energy: 2.025739484970935
Energy: 2.0660389676388395
Energy: 2.0194620721746124
Energy: 2.0289546232128863
Energy: 1.9708970505890588
Energy: 2.0262498053388405
Energy: 2.0237982208216687
Energy: 1.9760672654186162
Energy: 2.076437178242038
Energy: 2.1265297986397482
Energy: 1.8462444713165291
Energy: 2.051617790320942
Energy: 2.0596754725813637
Energy: 1.9428069879490133
Energy: 1.845596787997957
Energy: 2.0594405280010153
Energy: 2.092979321292498
Energy: 1.988567447388974
Energy: 1.9781090831595467
Energy: 1.9915992449140727
Energy: 2.0630579335464967
Energy: 1.9773460946427828
Energy: 2.0060585639595523
Energy: 2.0610194130539483
Energy: 1.9870637043683703
Energy: 1.9548960780518223
Energy: 2.001788804879381
Energy: 2.034913732233863
Energy: 1.9793708517539366
Energy: 1.9519480757597834
Energy: 2.000543717995776
Energy: 2.0192364281336217
Energy: 1.9674669842567505
Energy: 1.9795565000809148
Energy: 1.996778177214607
Energy: 1.9875177175766363
Energy: 1.9639216671748077
Energy: 1.9947182398124994
Energy: 2.0144480735119306
Energy: 2.0321216165011178
Energy: 1.9897690422926613
Energy: 2.0013634665224322
Energy: 2.030423264966832
Energy: 2.091938623338377
Energy: 2.1189041786765332
Energy: 2.1297855349338914
Energy: 2.2370375127179742
Energy: 2.110372632308003
Energy: 2.13114751086448
Energy: 2.2406657103601897
Energy: 2.1342286054513644
Energy: 2.11018635304371
Energy: 2.1293706901261893
Energy: 2.2389854204834596
Energy: 2.12102855283302
Energy: 2.131184752778245
Energy: 2.2603233324294894
Energy: 2.199997307419575
Energy: 1.9980219186146688
Energy: 2.0611110259753365
Energy: 2.03459708957454
Energy: 2.0795532456434866
Energy: 1.9988282394987285
Energy: 2.08620299223334
Energy: 2.06990162996452
Energy: 2.065012740816745
Energy: 2.027991761685329
Energy: 1.9888017373369027
Energy: 2.0461781675794626
Energy: 2.023745890500209
Energy: 2.071059427442275
Energy: 2.190865564491442
Energy: 2.184911147041945
Energy: 2.180268541381757
Energy: 2.3096045207942395
Energy: 2.1999062753406577
Energy: 2.238236896674775
Energy: 2.1607610781319435
Energy: 2.3127269543126294
Energy: 2.024534163922611
Energy: 2.04349459718623
Energy: 1.9795823189231019
Energy: 2.028194339454527
Energy: 1.9703504197243495
Energy: 2.150639229611605
Energy: 2.068158598197924
Energy: 2.076946190528232
Energy: 2.195712560447511
Energy: 2.238129760587105
Energy: 2.1556587149302433
Energy: 2.1171686847780364
Energy: 2.260174681716761
Energy: 2.1149961449329022

minimum gb energy = 1.845596787997957 eV
minimum distance =  2.42858364871031 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.8086196608762295
Energy: 1.9899092732361527
Energy: 9.905876910331614
Energy: 2.0889080508713507
Energy: 2.010122831909367
Energy: 9.604080932781628
Energy: 2.1379996988983003
Energy: 1.8899365328084923
Energy: 1.8220774365468684
Energy: 1.9210947820182591
Energy: 1.7595524791515431
Energy: 1.779525688173212
Energy: 1.8679158616800557
Energy: 1.9343407417777514
Energy: 1.842736180054582
Energy: 1.7747369698191808
Energy: 1.7798060476818043
Energy: 1.816331967839049
Energy: 1.9397015934204447
Energy: 1.8408880908158392
Energy: 1.7795594164612525
Energy: 1.923490135946196
Energy: 1.8333191355409268
Energy: 1.7073463946944805
Energy: 9.442555231040878
Energy: 1.834340818004525
Energy: 1.7074208828362916
Energy: 1.882773191439567
Energy: 1.774530557926421
Energy: 1.6985900143311903
Energy: 1.7796733531778157
Energy: 1.8333970064079252
Energy: 1.9236543217760869
Energy: 1.7057055953490619
Energy: 1.7789351006136775
Energy: 1.7507946746767262
Energy: 1.7497317643946426
Energy: 1.771103146192016
Energy: 1.6963651688560724
Energy: 1.7387395928284497
Energy: 1.7473949935842028
Energy: 1.7716297407379598
Energy: 1.7607219613248288
Energy: 1.7741098463676124
Energy: 1.6501256379521156
Energy: 1.738265716068784
Energy: 1.6715795968525058
Energy: 1.78083594312821
Energy: 1.707897852432245
Energy: 1.6706129056187593
Energy: 1.7179906657390436
Energy: 1.7028133924349276
Energy: 1.6702857030745966
Energy: 1.6708969272520748
Energy: 1.7734129647188714
Energy: 1.7677189100070565
Energy: 1.6703357762393836
Energy: 1.713391436960885
Energy: 1.8094681000312522
Energy: 1.6696975766069466
Energy: 1.6713010536525754
Energy: 1.7149576760912653
Energy: 1.809855064171262
Energy: 1.6112572210406773
Energy: 1.613402890613897
Energy: 1.7862320074561557
Energy: 1.6124934425751651
Energy: 1.6103522967760622
Energy: 1.7837712322503503
Energy: 1.6108640617161443
Energy: 1.7594763573895191
Energy: 1.7472141801862149
Energy: 1.7754903161204114
Energy: 1.7541608222853724
Energy: 1.737592771283118
Energy: 1.7744928818766874
Energy: 1.754171700592124
Energy: 1.8139221033848538
Energy: 1.7887272406777912
Energy: 1.6588409652443243
Energy: 1.7542069159683287
Energy: 1.790709038905389
Energy: 1.7314195993726738
Energy: 1.777369207735536
Energy: 1.610198001867841
Energy: 1.6566698221632887
Energy: 1.6148109110111155
Energy: 1.6097038215505406
Energy: 1.7841378777751145
Energy: 1.6096016952333456
Energy: 1.610232323687255
Energy: 1.7641954094521612
Energy: 1.6939475404985267
Energy: 1.611922965296757
Energy: 1.6527463093213706
Energy: 1.7209124897859929
Energy: 1.612108464467779
Energy: 1.6094924132433217
Energy: 1.8728033737054783
Energy: 1.714820585499409
Energy: 1.6694879407678858
Energy: 1.6699259638428554
Energy: 1.8279619376369869
Energy: 1.6933910152384648
Energy: 1.670415197129521
Energy: 1.7620383077019992
Energy: 1.8289603919529043
Energy: 1.671057186687375
Energy: 1.7369132541741283
Energy: 1.8407858563380073
Energy: 1.6725323383170692
Energy: 1.7392082543796032
Energy: 1.7616709091462237
Energy: 1.7297897982990025
Energy: 1.6719089785110273
Energy: 1.6926113723606504
Energy: 1.7696879288754097
Energy: 1.6995038107258855
Energy: 1.7608022525866671
Energy: 1.7788561125647882
Energy: 1.774959438726057
Energy: 1.86875209477178
Energy: 1.779541639509225
Energy: 1.7790899192428198
Energy: 1.7746674532510285
Energy: 1.7998087146203472
Energy: 1.8839323524575609
Energy: 1.6989351820796537
Energy: 1.8481568521109781
Energy: 1.884185204207393
Energy: 1.7071159243739729
Energy: 1.7125857320106355
Energy: 2.0179526456865715
Energy: 1.7789706387887878
Energy: 1.7748564111460157
Energy: 1.8612156874369818
Energy: 1.7799954326852185
Energy: 1.8821943641696224
Energy: 1.7983863690959834
Energy: 1.9236914294967775
Energy: 1.7801167855812723
Energy: 1.7748727216532667
Energy: 1.921959594626994
Energy: 1.9341393830089848
Energy: 1.7797298762699172
Energy: 1.7614364392233395
Energy: 1.8628033446802048
Energy: 1.9192323140581764
Energy: 1.7204434401193283
Energy: 2.0382815783509955
Energy: 1.967791360382626
Energy: 1.7849433211269443
Energy: 1.7269213604007383
Energy: 2.001596421198078
Energy: 1.918313972243336
Energy: 1.74069516735608
Energy: 2.0032128261931463
Energy: 2.043043894759489
Energy: 1.785690039944992
Energy: 1.7064873300679344
Energy: 2.0018080593928484
Energy: 1.9349897310470063
Energy: 1.8210562527443224
Energy: 1.9230850626076785
Energy: 1.93431971695325
Energy: 1.9210805565037794
Energy: 1.9605566698251031
Energy: 1.9356923742016554
Energy: 2.0020538641291385
Energy: 1.951264582807966
Energy: 1.9275447692451289
Energy: 1.891456138524125
Energy: 2.002085087515151
Energy: 1.868566653099896
Energy: 1.9717571739931468

minimum gb energy = 1.6094924132433217 eV
minimum distance =  2.50460954358288 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 2.7923984416898393
Energy: 1.5026374589323879
Energy: 6.711446706011455
Energy: 7.461513717340469
Energy: 1.8398776369362282
Energy: 7.349042551921925
Energy: 1.5016827828003523
Energy: 1.6215335938885056
Energy: 1.5675409319133151
Energy: 1.5734627164266253
Energy: 1.5930862769513345
Energy: 1.6101945695619426
Energy: 1.5760453716813647
Energy: 1.608041165183502
Energy: 1.5840477375756783
Energy: 1.5695633035039145
Energy: 1.5973403081896629
Energy: 1.595284184448478
Energy: 1.5504193754400708
Energy: 1.6058384499028282
Energy: 1.5810339308939454
Energy: 1.508088583900177
Energy: 1.6580869314952749
Energy: 1.5693734706369276
Energy: 7.20923290229195
Energy: 1.5337993180617255
Energy: 1.5698971751711992
Energy: 1.5896412896033598
Energy: 1.4986748051723355
Energy: 1.5664103234691387
Energy: 1.5573298989005853
Energy: 1.5750279931131081
Energy: 1.55794181705532
Energy: 1.5690164426460553
Energy: 1.5624251390675528
Energy: 1.5187394042483893
Energy: 1.565793640747568
Energy: 1.5781254724144431
Energy: 1.5433202174214808
Energy: 1.5175033515316492
Energy: 1.5934184673683283
Energy: 1.5860622653886836
Energy: 1.5189841871003336
Energy: 1.737598003163748
Energy: 1.5360934801467787
Energy: 1.573863589485977
Energy: 1.5181140232605292
Energy: 1.5704931114571505
Energy: 1.5419993385434583
Energy: 1.5183413356628854
Energy: 1.695570322215832
Energy: 1.521842448491417
Energy: 1.4909261192510408
Energy: 1.5177874192451764
Energy: 1.5569919437821018
Energy: 1.5053042813820956
Energy: 1.518522079449534
Energy: 1.5440154852328765
Energy: 1.5440130589147611
Energy: 1.5137254582747535
Energy: 1.5183915339757321
Energy: 1.542843341836493
Energy: 1.5120404681046757
Energy: 1.4560640339067112
Energy: 1.4969455912573804
Energy: 1.463709006675157
Energy: 1.5543943993542988
Energy: 1.4949384518188238
Energy: 1.5100376453537014
Energy: 1.504918541349462
Energy: 1.4930249080886666
Energy: 1.4752854021202348
Energy: 1.4841027968169613
Energy: 1.4926206382020628
Energy: 1.4935820717694401
Energy: 1.4982804265848
Energy: 1.5093468498747478
Energy: 1.4913532944375674
Energy: 1.518129576699349
Energy: 1.511660813217996
Energy: 1.493015316375635
Energy: 1.505470854447821
Energy: 1.4914037085734766
Energy: 1.4951424489657947
Energy: 1.5073120936619409
Energy: 1.4545513588009324
Energy: 1.430577184874669
Energy: 1.4562020890395342
Energy: 1.462866610475227
Energy: 1.460883938567919
Energy: 1.4492127449328913
Energy: 1.5031360708203356
Energy: 1.4153747378849693
Energy: 1.425986080456549
Energy: 1.421221415458826
Energy: 1.4930319379677708
Energy: 1.4406129953689346
Energy: 1.4256952210080898
Energy: 1.5245660264497767
Energy: 1.4744938893497186
Energy: 1.433518178719344
Energy: 1.4656912214740765
Energy: 1.4970113643073635
Energy: 1.4782084640588153
Energy: 1.4346047153552948
Energy: 1.3963333350496965
Energy: 1.4802623170513531
Energy: 1.4228113920954766
Energy: 1.4370986339033354
Energy: 1.400431053353956
Energy: 1.478080795662434
Energy: 1.469949982469524
Energy: 1.406558624044239
Energy: 1.45576559692766
Energy: 1.4135356988453533
Energy: 1.4308517076035105
Energy: 1.4183225479915176
Energy: 1.434644533675283
Energy: 1.4231524622211469
Energy: 1.4131664017984384
Energy: 1.4756306904757666
Energy: 1.5130581914352397
Energy: 1.409535938601779
Energy: 1.4062945162846043
Energy: 1.4678362876015678
Energy: 1.4895376665144184
Energy: 1.4062654281736233
Energy: 1.457557641926514
Energy: 1.5166798425676942
Energy: 1.404525068474033
Energy: 1.4106229279646119
Energy: 1.4570846417388075
Energy: 1.5032893162274836
Energy: 1.372278549215084
Energy: 1.3960378442532193
Energy: 1.4240783036394058
Energy: 1.369906954670719
Energy: 1.3849396406860581
Energy: 1.4446080948323776
Energy: 1.4944935774757693
Energy: 1.4572933966684114
Energy: 1.4807786809207724
Energy: 1.4937038964155893
Energy: 1.4508863971162
Energy: 1.4542444154700054
Energy: 1.4917603026152286
Energy: 1.4645146170392027
Energy: 1.4775314197039942
Energy: 1.4837141058553658
Energy: 1.4127336319386146
Energy: 1.4717450129724954
Energy: 1.461592000541637
Energy: 1.4523409942712573
Energy: 1.4688097718350581
Energy: 1.4434176165278878
Energy: 1.4249085672477368
Energy: 1.3809592068422436
Energy: 1.3689315922755734
Energy: 1.4151262653732444
Energy: 1.3965945385924061
Energy: 1.3742648869017569
Energy: 1.5138267918915302
Energy: 1.4583593595730433
Energy: 1.404744347494455
Energy: 1.4384182476503633
Energy: 1.485778868724586
Energy: 1.450224798152923
Energy: 1.405903933899516
Energy: 1.5390906730490639
Energy: 1.4880392617371654
Energy: 1.4308915090616166
Energy: 1.4629601718641112
Energy: 1.5140558103659172
Energy: 1.4972231554821316
Energy: 1.4129297748633536
Energy: 1.4338592869548243
Energy: 1.4288986669286126
Energy: 1.414953956128746
Energy: 1.4060650651616098
Energy: 1.4638326432766304
Energy: 1.4818356977149925
Energy: 1.4626700906805739
Energy: 1.4571821562202756
Energy: 1.4317900680512197
Energy: 1.4071124418459813
Energy: 1.4279392443822885
Energy: 1.4459957784237403
Energy: 1.429484772813076
Energy: 1.4445189212304241
Energy: 1.4343444705897264
Energy: 1.4900580145067681
Energy: 1.5207122525701846
Energy: 1.43297343864052
Energy: 1.4322475991963728
Energy: 1.477536705130078
Energy: 1.5169840403588541
Energy: 1.4258357217911526
Energy: 1.4522403129952222
Energy: 1.4672100464521485
Energy: 1.4208130020792198
Energy: 1.4413239056408698
Energy: 1.4540326325390442
Energy: 1.4577831896225582
Energy: 1.4254079416316776
Energy: 1.4451796335296232
Energy: 1.5658866785831709
Energy: 1.4226678842421063
Energy: 1.4387719236470669
Energy: 1.4874202196450363
Energy: 1.5146436213007721
Energy: 1.5074099467991178
Energy: 1.4924191705809318
Energy: 1.53665356487528
Energy: 1.509796634020633
Energy: 1.4754118478892464
Energy: 1.5178860656332822
Energy: 1.5040974488730445
Energy: 1.4935552185112824
Energy: 1.4651902399512575
Energy: 1.4936786745028348
Energy: 1.516550041264629
Energy: 1.475061224279673
Energy: 1.4776504134500916
Energy: 1.4928423060760847
Energy: 1.5067524097116183
Energy: 1.5068390916235146
Energy: 1.501707937783013
Energy: 1.5741686175781557
Energy: 1.5091457446179561
Energy: 1.4983780552009087
Energy: 1.4912812776085544
Energy: 1.5631469459890284
Energy: 1.5440681700751209
Energy: 1.5244248974244863
Energy: 1.5804405391186866
Energy: 1.54145543527406
Energy: 1.547790317238774
Energy: 1.5227600881404024
Energy: 1.4861514688558788
Energy: 1.5479352875667753
Energy: 1.4996473610558956
Energy: 1.51710153385462
Energy: 1.5212472628640685
Energy: 1.5619780311549543
Energy: 1.5279260196793254
Energy: 1.5037097094899623
Energy: 1.5674000445039982
Energy: 1.499521005035367
Energy: 1.5086098774437573
Energy: 1.552651017760411
Energy: 1.5853878819524185
Energy: 1.5177281919918058
Energy: 1.5936373477780148
Energy: 1.561541035824252
Energy: 1.5201166786367255
Energy: 1.6226060120935777
Energy: 1.6004289830978522
Energy: 1.5448918513304126
Energy: 1.5307530933546978
Energy: 1.5901233776195893
Energy: 1.5596858540053993
Energy: 1.5597394530102613
Energy: 1.607368355514769
Energy: 1.5839207023786255
Energy: 1.5602608754162324
Energy: 1.5434010604951645
Energy: 1.59128065692552
Energy: 1.7131241208585215
Energy: 1.5018683720382975
Energy: 1.5817882059113897
Energy: 1.5698376426758538
Energy: 1.5025833724519322
Energy: 1.7562917970322653
Energy: 1.593988098891769
Energy: 1.5759314681810797
Energy: 1.6351671923080158
Energy: 1.5862799994468564
Energy: 1.590593929731049
Energy: 1.5894476722213016
Energy: 1.609340506646199
Energy: 1.5772773504658388
Energy: 1.5658234393878367
Energy: 1.6070764632633026
Energy: 1.5835353630245455
Energy: 1.5968267883613523
Energy: 1.6020062281354626
Energy: 1.6242983755032372
Energy: 11.217995305218658
Energy: 1.7832081505455764
Energy: 1.619083980661871
Energy: 6.627311484161696
Energy: 7.212752116379779
Energy: 1.5616353112760006
Energy: 7.613572852728663
Energy: 1.6324141571839883
Energy: 1.558118981111032
Energy: 1.5935924384742957
Energy: 1.5716598537263482
Energy: 1.597314046598612
Energy: 1.6159101050987186
Energy: 1.5536762340523607
Energy: 1.5772288848113192
Energy: 1.5783031259070177
Energy: 1.634922949082004
Energy: 1.583262336416631
Energy: 1.577322083189647
Energy: 1.5916793989669877
Energy: 1.610234092948735
Energy: 1.6463776239332784
Energy: 6.812135575820631
Energy: 1.5493098232970182
Energy: 1.61667610824953
Energy: 1.6215848817363778
Energy: 7.2009461990748544
Energy: 1.5015415980205236

minimum gb energy = 1.3689315922755734 eV
minimum distance =  2.50757717482852 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 30.354529602051063
Energy: 17.333273094690437
Energy: 17.36891222632525
Energy: 17.48903281285185
Energy: 17.369798359786554
Energy: 17.380312012828327
Energy: 17.31556653023518
Energy: 1.371625101983597
Energy: 17.590776947049083
Energy: 12.228647422271361
Energy: 0.5502956662135361
Energy: 0.5802338709718655
Energy: 27.209802096646815
Energy: 18.93014017933708
Energy: 29.239551232696027
Energy: 8.96853025563475
Energy: 13.94148064911817
Energy: 0.5511789625613703
Energy: 0.5513999307084825
Energy: 0.5505029548669533
Energy: 9.991323203071335
Energy: 30.25968762968192
Energy: 18.857159795989812
Energy: 17.368424661180093
Energy: 17.346288144138093
Energy: 17.431802507807845
Energy: 17.272151042900397
Energy: 17.261616911743737
Energy: 1.706355182809285
Energy: 1.7053339596516968
Energy: 1.7545444959822707
Energy: 1.6921489890265955
Energy: 1.7990121848582323
Energy: 14.790993147472687
Energy: 14.831269518430132
Energy: 10.601536009309584
Energy: 0.5500881440376708
Energy: 0.5512111068080061
Energy: 35.60413950027283
Energy: 11.861073769520107
Energy: 13.057152899900816
Energy: 0.5508304752462269
Energy: 1.708236884366347
Energy: 14.60024419972062
Energy: 1.8036927923829575
Energy: 2.0488547734902953
Energy: 17.505192993493626
Energy: 1.7985264830740095
Energy: 1.706705066239397
Energy: 1.7072939301006824
Energy: 1.7067883951844969
Energy: 1.8446634655505083
Energy: 17.496031736886763
Energy: 17.473823866641375
Energy: 1.8119886887707595
Energy: 14.536801811155676
Energy: 9.81648051658871
Energy: 0.5502302158819903
Energy: 0.5508443111430033
Energy: 13.13353799360954
Energy: 35.60871956888123
Energy: 13.974713056232618
Energy: 0.550789266720591
Energy: 1.7067714886346792
Energy: 1.7063617813099705
Energy: 14.460119071657275
Energy: 3.5950836179655585
Energy: 1.6899422478574448
Energy: 1.689596695112324
Energy: 1.706614251645328
Energy: 30.438584447355474
Energy: 30.375984176050736
Energy: 17.44191019035825
Energy: 17.372719786876463
Energy: 17.392240853469755
Energy: 17.26781407006996
Energy: 17.32068869550538
Energy: 25.37858303765084
Energy: 14.021547022976963
Energy: 9.525772302406713
Energy: 0.5513229396408025
Energy: 0.5523410651713667
Energy: 6.0264772282068275
Energy: 15.487329851981347
Energy: 28.54736946686557
Energy: 17.667790799249637
Energy: 26.475731743414936
Energy: 0.5504552639019217
Energy: 0.5515942271953986
Energy: 26.519394838963034
Energy: 19.141328891929593
Energy: 30.501143255901066
Energy: 30.378003249708154
Energy: 17.346207388664258
Energy: 17.440929632445197
Energy: 17.39324107516436
Energy: 17.347730384807306
Energy: 17.374505227869516
Energy: 1.706894037092333
Energy: 1.7066523818504498
Energy: 1.6906595039225294
Energy: 8.467680313027564
Energy: 26.484844046039225
Energy: 13.599623078850094
Energy: 5.1292487195854655
Energy: 10.005230382500304
Energy: 0.5506320717551467
Energy: 0.5505540180612772
Energy: 0.5513689940552773
Energy: 0.5545497420654371
Energy: 13.462409934000968
Energy: 5.757183130476409
Energy: 30.443679454071567
Energy: 19.057611954279416
Energy: 17.386472608377172
Energy: 17.324320486676164
Energy: 17.33140474248049
Energy: 17.383539205775374
Energy: 17.28152064275225
Energy: 1.7057732354250796
Energy: 1.7072165964140495
Energy: 1.7534421077164049
Energy: 1.8003988711056298
Energy: 1.7996641252454348
Energy: 14.699160548701837
Energy: 14.735345690450174
Energy: 11.235914603647462
Energy: 0.5511172081664181
Energy: 0.5511313523419742
Energy: 0.5515411996553979
Energy: 0.5537361326997443
Energy: 23.46985262585473
Energy: 0.5502490297285434
Energy: 1.7081465563887148
Energy: 14.629715432281817
Energy: 14.46396364781708
Energy: 1.800193680773538
Energy: 17.378292479962383
Energy: 1.7994157851979953
Energy: 1.7063703020914052

minimum gb energy = 0.5500881440376708 eV
minimum distance =  2.6114384548207 Angstroms
sigma value = 23