Model name: model_name=EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9211406409740452
cohesive_energy=5.199020453881133
mass=106.42
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=[3.8173941134674194e-19, 2.822234140791e-19, 3.22497328127958e-19, 3.23641282244634e-19, 3.093001991937e-19, 3.07971994764114e-19, 3.32881034892912e-19, 3.7898366753626196e-19, 4.2868318672294197e-19, 4.743516294984779e-19, 5.156749692426059e-19, 5.535199835143199e-19, 5.893542661103639e-19, 6.25278270597912e-19, 6.62448768506712e-19, 6.997650644892059e-19, 7.34545114860078e-19, 7.64412891671106e-19, 7.8831256052048395e-19, 8.06306606296938e-19, 8.190006517681198e-19, 8.271669460716179e-19, 8.315745339917519e-19, 8.329091471278741e-19, 8.316145884076019e-19, 8.27666825181426e-19, 8.208463592504879e-19, 8.10683752861026e-19, 7.96448413467936e-19, 7.7724792868608e-19, 7.521754665406139e-19, 7.206718673862719e-19, 6.82995081661128e-19, 6.40183319824014e-19, 5.927092239819599e-19, 5.37740145846054e-19, 4.68042257913786e-19, 3.7482441699439795e-19, 2.5073263233782997e-19, 8.9216404775973e-20, -1.186801126399062e-19, -3.86818311276522e-19, -7.3279874232901785e-19, -1.1856427526926798e-18, -1.80828063619776e-18, -2.6995234323929397e-18, -4.02508427053284e-18, -6.086444727837239e-18, -9.467405926203059e-18, -1.5363656265818158e-17, -2.6564889680036998e-17, -5.0160946057271994e-17, -1.076439995495874e-16, -2.8335935731260594e-16]
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: 0.01928054639100025
Energy: 0.01977026140015159
Energy: 0.7376872623416849
Energy: 0.738804250811711
Energy: 0.019809171383566013
Energy: 0.02164494312587306
Energy: 0.23538234055845475
Energy: 0.7374034206327205
Energy: 0.7380333017366665
Energy: 0.01973231653082509
Energy: 0.01966033321622217
Energy: 0.2366068042891357
Energy: 0.23524699390988343
Energy: 0.7353835468538543
Energy: 0.23618693764109852
Energy: 0.23531542565627891
Energy: 0.23796408969843894
Energy: 0.23621620134531648
Energy: 0.7354582554659754
Energy: 0.23566097283916446
Energy: 0.23525571038175805
Energy: 0.02281232949192804
Energy: 0.020127301681742444
Energy: 0.235871853133897
Energy: 0.736283174038647
Energy: 0.23480232116036104
Energy: 0.02146495982192024
Energy: 0.019925232325072692
Energy: 0.7372838705871306
Energy: 0.7371788039326578
Energy: 0.7360586963944762
Energy: 0.020012803633074446
Energy: 0.02043269682687477
Energy: 0.23578125848883494
Energy: 0.7375726581823404
Energy: 0.7366615411986301
Energy: 0.01981976869717876
Energy: 0.019869927980784394
Energy: 0.23564001945978064
Energy: 0.7361786028149978
Energy: 0.7363227762940018
Energy: 0.7382562055655962
Energy: 0.2355138152743656
Energy: 0.020743070713807356
Energy: 0.020862910666704055
Energy: 0.7362577247336454
Energy: 0.7386389584363582
Energy: 0.23586774862965182
Energy: 0.02112266966152396
Energy: 0.23521835834330165
Energy: 0.23514324022906496
Energy: 0.7358594003685351
Energy: 0.2355893770996117
Energy: 0.022012216847591765
Energy: 0.02346449596052062
Energy: 0.2379008648235106
Energy: 0.7366329262291186
Energy: 0.23528692712788082
Energy: 0.0221071031351178
Energy: 0.025364553485626006
Energy: 0.019600707114965626
Energy: 0.2365472455482827
Energy: 0.7356464868209883
Energy: 0.23580289762527365
Energy: 0.23631288084006313
Energy: 0.01967119665203129
Energy: 0.7390069156739288
Energy: 0.7362254195023061
Energy: 0.23611127108551622
Energy: 0.23552721379692274

minimum gb energy = 0.01928054639100025 eV
minimum distance =  2.73629170613588 Angstroms
sigma value = 3


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

Energy: 2.385327172001342
Energy: 1.9586584532658977
Energy: 2.020370414076999
Energy: 2.0078870081810694
Energy: 1.9989265422239364
Energy: 2.1078091592354893
Energy: 1.995713012820696
Energy: 2.019446025785903
Energy: 2.0004147185272476
Energy: 2.0428821307593474
Energy: 2.157515831719521
Energy: 2.2229120054436464
Energy: 2.002144540298817
Energy: 2.0516375665656956
Energy: 1.975274126757511
Energy: 2.125662400756155
Energy: 2.124792293182921
Energy: 2.001110149256205
Energy: 2.0876545195078884
Energy: 1.974548392883631
Energy: 2.0119140460509333
Energy: 2.055164841034448
Energy: 2.019061925266042
Energy: 1.974378051180339
Energy: 1.9644785950012646
Energy: 1.9318712605236403
Energy: 2.0549527778891465
Energy: 2.2268303177241155
Energy: 1.9738480095389617
Energy: 1.9748008763848106
Energy: 2.0142882441737946
Energy: 2.1555895746833875
Energy: 2.056881185760434
Energy: 1.9131518588504988
Energy: 2.028255441892815
Energy: 2.020405943294158
Energy: 2.16042577654469
Energy: 2.057986554854335
Energy: 2.0439573492281866
Energy: 2.0171930431695704
Energy: 2.115654730218814
Energy: 2.1021194441343223
Energy: 2.1511895670986476
Energy: 2.1638128111396497
Energy: 2.038313250803712
Energy: 2.1350268343295653
Energy: 2.1057049411799373
Energy: 2.1399813479815846
Energy: 2.138565061034972
Energy: 2.297492694752031
Energy: 2.115200710963284
Energy: 2.0978759516961643
Energy: 2.142575205853747
Energy: 2.1316567290516133
Energy: 2.132228533716284
Energy: 2.1091416923101876
Energy: 2.1162309017101535
Energy: 2.17545243635965
Energy: 2.1372091939736757
Energy: 2.1386725668926068
Energy: 2.035739202552133
Energy: 2.1431880029564487
Energy: 2.150596460106679
Energy: 1.9001227503960145
Energy: 2.0188458631531145
Energy: 2.023596142199259
Energy: 2.1863746883072674
Energy: 2.1852422540620386
Energy: 1.9466560904511812
Energy: 2.0156809969751683
Energy: 2.0071439573060137
Energy: 2.0058599939140844
Energy: 2.1501681511298916
Energy: 2.15462800724581
Energy: 2.0124375775147434
Energy: 2.0060411379798695
Energy: 2.0057106520981605
Energy: 2.101930483314432
Energy: 2.1621483594210495
Energy: 2.015861513206239
Energy: 2.0140338178993296
Energy: 2.0295485585481425
Energy: 1.8977014768413343
Energy: 2.153414783357845
Energy: 2.0394374844105223
Energy: 2.0058928703893653
Energy: 2.046258664579246
Energy: 1.9181118996344897
Energy: 2.197340920951926
Energy: 2.037175379147405
Energy: 2.0848292875474126
Energy: 1.9650146666543238
Energy: 1.9623824139471038
Energy: 2.078824548481442
Energy: 2.0566548036644945
Energy: 1.9731273348917118
Energy: 1.9860884529403164
Energy: 1.9446382198396446
Energy: 2.095051688023216
Energy: 2.0582572171542806
Energy: 2.158442251459254
Energy: 1.920880514249161
Energy: 2.0123831983018774
Energy: 2.0146884425616816
Energy: 2.056460594443537
Energy: 2.1344282566565997
Energy: 1.9648432897319452
Energy: 2.0136756476949973
Energy: 2.0147268440927895
Energy: 2.055758566930036
Energy: 2.1585044237096493
Energy: 2.1402396249716125
Energy: 2.0181219894253637
Energy: 2.120659358020089
Energy: 2.1587385350708357
Energy: 2.1428375975974534
Energy: 2.0546421145241625
Energy: 2.018939895400328
Energy: 2.125245570241925
Energy: 2.1729078872534133
Energy: 2.067894047422512
Energy: 2.129587583879694
Energy: 2.128497804918753
Energy: 2.109311320979615
Energy: 2.1076140590030104
Energy: 2.070523458507688
Energy: 2.128582220106891
Energy: 2.1294108583550986
Energy: 2.111023742379899
Energy: 2.109287415231728
Energy: 2.1467242236006463
Energy: 2.131078216076155
Energy: 2.027797316503743
Energy: 2.0179605002933263
Energy: 2.2016145148041137
Energy: 2.1478519911794507
Energy: 2.132216286337894
Energy: 2.0286701781445577
Energy: 2.0826522745927054
Energy: 2.1824511220838354
Energy: 2.099861257036885
Energy: 2.0888690163229526
Energy: 2.022082607350135
Energy: 2.0240125079130356
Energy: 2.130641810942153
Energy: 2.115122370633868
Energy: 2.1055014250996478
Energy: 2.028498640073921
Energy: 2.012884852441383
Energy: 2.148343276776213
Energy: 2.1476631763714344
Energy: 2.151278688049773
Energy: 2.0107010557227953
Energy: 2.016131364527828
Energy: 2.0404529947685868
Energy: 2.14780509116949
Energy: 2.130227886709658
Energy: 2.0064229877242106
Energy: 2.0135914072457877
Energy: 1.980723774679307
Energy: 1.9491197573577275
Energy: 2.054786085699971
Energy: 1.9273090587110258
Energy: 1.9774989209557423
Energy: 1.97999602691103
Energy: 1.953577363549694
Energy: 2.054881982021919
Energy: 1.8923456057585673
Energy: 1.978232362514573
Energy: 1.9688433087515849
Energy: 2.0127554124269778
Energy: 2.0500925391256812
Energy: 2.055820437378288
Energy: 1.955072917083447
Energy: 1.9414490477651134
Energy: 2.0119231676237233
Energy: 2.010753392969067
Energy: 2.0564148539152174
Energy: 1.9536343931611617
Energy: 1.9536563703803624
Energy: 2.1365268108534767
Energy: 2.1321959552348653
Energy: 2.1422694745796784
Energy: 2.157607856099521
Energy: 2.0408280696022802
Energy: 2.1141599798453843
Energy: 2.143047113252176
Energy: 2.135976126656845
Energy: 2.131671534518263
Energy: 1.98190376522908
Energy: 2.107675597967901
Energy: 2.102779017856736
Energy: 2.1754939238387845
Energy: 2.1379035661345624
Energy: 2.132405349848633
Energy: 2.1058909505356347
Energy: 2.103754699731564
Energy: 2.0608394272518895
Energy: 2.0470756447854406
Energy: 2.126578675560193
Energy: 2.0201745279437833
Energy: 2.1896314125711602
Energy: 2.1912755194972964
Energy: 1.946987698507886
Energy: 2.014990456076307
Energy: 2.0315264649227815
Energy: 2.14503410369729
Energy: 2.1536903556393456
Energy: 1.9733894183868463
Energy: 2.0191035097214414
Energy: 2.005971306018121
Energy: 2.0041415243269993
Energy: 2.1258315988401266
Energy: 2.068242745920955
Energy: 2.019239419787998
Energy: 2.0090316796010836
Energy: 2.0063641681130973
Energy: 2.1493447920414117
Energy: 2.090692257403306
Energy: 2.0150787993038386
Energy: 2.004554673377801
Energy: 2.0793961731399704
Energy: 1.920024643042033
Energy: 2.126277603622214
Energy: 2.037691785446596
Energy: 2.0146728565498213
Energy: 2.041286607071359
Energy: 1.8973316351128777
Energy: 2.1491356623411284
Energy: 2.0358552342023777
Energy: 2.054424136445954
Energy: 1.9877249682831102
Energy: 1.9708313510176136
Energy: 2.094525681642796
Energy: 2.0570151334798426
Energy: 2.0392786310544992
Energy: 1.9848067063859434
Energy: 1.9028675111323887
Energy: 2.1459272255516955
Energy: 2.0552659161350086
Energy: 2.1336129007622664
Energy: 1.9686955633685335
Energy: 2.01135233548877
Energy: 2.013380934180167
Energy: 2.0554470858661325
Energy: 2.15723983749322
Energy: 1.9641881428651509
Energy: 2.0203557093073488
Energy: 1.9909520117891228
Energy: 2.055527784311589
Energy: 2.151551801502148
Energy: 2.153614877198778
Energy: 2.0168539425719754
Energy: 2.110110869896253
Energy: 2.1912914150602227
Energy: 2.1563265153922333
Energy: 2.0683547180671735
Energy: 2.0216527299490896
Energy: 2.150480874537275
Energy: 2.1633229341875895
Energy: 2.1160293565742196
Energy: 2.0454185626710895
Energy: 2.1509214285551965
Energy: 2.106064837852391
Energy: 2.107842596916622
Energy: 2.0490996715878027
Energy: 2.1315459379728035
Energy: 2.142094766471973
Energy: 2.1059566968172314
Energy: 2.1087293928170063
Energy: 2.2431808304464913
Energy: 2.137687773994461
Energy: 2.0132556724931527
Energy: 2.098025320226142
Energy: 2.1171392660474444
Energy: 2.1160561796075794
Energy: 2.132984061582895
Energy: 2.0151379201636272
Energy: 2.0883158296282205
Energy: 2.228622116245427
Energy: 2.099146120775623
Energy: 2.130786611175572
Energy: 2.01954816193931
Energy: 1.9979346495227195
Energy: 2.121584574610301
Energy: 2.0922631447559596
Energy: 2.0944922221057
Energy: 2.0098764769058937
Energy: 1.9998661742684574
Energy: 2.060814200267505

minimum gb energy = 1.8923456057585673 eV
minimum distance =  2.41432499105155 Angstroms
sigma value = 75


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

Energy: 2.6787253764046124
Energy: 1.9770645559720676
Energy: 2.0131233665526658
Energy: 2.028991607088568
Energy: 1.9707064259971365
Energy: 1.970341319196286
Energy: 2.141333983058737
Energy: 2.0496346917890005
Energy: 2.0520655533485486
Energy: 1.972095381132606
Energy: 2.088204415920634
Energy: 2.0882704321015155
Energy: 2.0013733320759104
Energy: 1.9733968374275372
Energy: 1.8986141649561497
Energy: 1.9761106310822396
Energy: 1.9759069581491042
Energy: 2.0307224677183884
Energy: 2.016489201107244
Energy: 2.009714603093594
Energy: 2.021141102131992
Energy: 2.0174583416118805
Energy: 2.1340622432854217
Energy: 1.971875527161356
Energy: 1.9938625138211254
Energy: 1.9953279771640313
Energy: 2.007183897994823
Energy: 2.1242234640740616
Energy: 2.011408537797386
Energy: 1.9564903384047594
Energy: 2.0300602610253655
Energy: 2.024818804421255
Energy: 2.0238745926474944
Energy: 2.0385311962720376
Energy: 1.9485861381001452
Energy: 1.9509046767736042
Energy: 2.0007193686868643
Energy: 2.0051642712492987
Energy: 2.0211979836636393
Energy: 1.9481549699906202
Energy: 1.9939078714012421
Energy: 2.044006921557081
Energy: 2.048019476980975
Energy: 2.0218609846337174
Energy: 2.0386456582308936
Energy: 2.037035796238839
Energy: 1.865760503497949
Energy: 2.0325250349716324
Energy: 2.0312955976453098
Energy: 2.031800027645169
Energy: 2.163291182662659
Energy: 2.0251076364378933
Energy: 2.1788748293365208
Energy: 2.0592453027766795
Energy: 2.053009173287733
Energy: 2.1607981274580212
Energy: 1.9303462684085495
Energy: 2.1958026929948815
Energy: 2.0531128763080315
Energy: 2.0493336080117524
Energy: 1.936704090427356
Energy: 2.094692790808129
Energy: 1.9890780175121137
Energy: 1.99267282747824
Energy: 1.9820947408742904
Energy: 1.9270216985052784
Energy: 1.9913332252892357
Energy: 2.01807819598077
Energy: 1.9914532146356323
Energy: 1.9891970895052158
Energy: 1.9561227529318592
Energy: 2.0035329292879243
Energy: 1.9956331763079918
Energy: 2.1368746393282176
Energy: 1.9802971601673918
Energy: 1.95521118044904
Energy: 1.9912204491301353
Energy: 1.9282190265955679
Energy: 2.008847005590656
Energy: 1.9788733118781296
Energy: 1.951475656233045
Energy: 2.0472713771382614
Energy: 2.0031191233142502
Energy: 1.9963901936565105
Energy: 2.0337018126325144
Energy: 1.9502583783047918
Energy: 1.932907602361509
Energy: 1.9572709704878979
Energy: 1.9883141972019869
Energy: 2.0195823738344285
Energy: 2.0201020892311603
Energy: 1.9224102791752182
Energy: 1.8597208872551891
Energy: 2.040912417992146
Energy: 2.040623187752638
Energy: 1.924119884052192
Energy: 1.9291911119891294
Energy: 1.8409411395094875
Energy: 2.0261613042670534
Energy: 2.0751491949553507
Energy: 1.9862121036372598
Energy: 1.8612991032954787
Energy: 1.9182673706758386
Energy: 2.2098772349659628
Energy: 2.068788547145809
Energy: 1.9691665351039087
Energy: 1.841396413592218
Energy: 1.9482457207501138
Energy: 2.0340765737768614
Energy: 2.065578828813283
Energy: 1.9834345037141226
Energy: 1.918240057699852
Energy: 2.014966441538539
Energy: 2.0081822950372707
Energy: 1.9673725905010422
Energy: 1.9616523845887626
Energy: 1.8729589539807328
Energy: 1.9317175697800566
Energy: 1.9169050610624256
Energy: 1.984247484589903
Energy: 1.9803237849735509
Energy: 1.9517689110733472
Energy: 1.9921459136207949
Energy: 2.13606538032677
Energy: 2.1039059122281407
Energy: 1.9604532997701805
Energy: 1.9488629564950963
Energy: 1.9854499711950238
Energy: 2.231174551796781
Energy: 2.064071337588441
Energy: 2.0329610400013345
Energy: 2.010030315544004
Energy: 2.0249845515193203
Energy: 1.9924235797095269
Energy: 2.011209950091708
Energy: 2.042917365237838
Energy: 2.033996810100519
Energy: 2.009766833109112
Energy: 1.994310400902611
Energy: 2.0043702498688316
Energy: 2.0422870867118745
Energy: 2.0406753860031417
Energy: 1.9188623592623146
Energy: 1.8714427485384544
Energy: 2.0501874978253
Energy: 2.0491084684047935
Energy: 2.0096881665345934
Energy: 1.9214093578771165
Energy: 1.8714029540330326
Energy: 2.0449427821707737
Energy: 1.9879838788882396
Energy: 1.9869861020966388
Energy: 1.8708165904131593
Energy: 1.9221324061510883
Energy: 2.0469413468786986
Energy: 1.9926984055476673
Energy: 1.9925339717399784
Energy: 1.870950367787416
Energy: 1.9233605223708417
Energy: 2.0346910273622405
Energy: 1.986664184790297
Energy: 1.973558244099572
Energy: 1.995934435886264
Energy: 2.0247993895790284
Energy: 2.005476220740458
Energy: 1.9913750864937567
Energy: 1.9816966416322066
Energy: 1.9489766630654162
Energy: 2.0506531763620206
Energy: 1.9957278602770092
Energy: 2.0921162538853
Energy: 1.9487761683616618
Energy: 1.9520304253025014
Energy: 1.9956206392054279
Energy: 1.8692093061642907
Energy: 2.078051032209504
Energy: 1.9486567580739695
Energy: 1.9506587622208238
Energy: 1.9927720286129025
Energy: 1.8699912478211436
Energy: 2.0157118958700444
Energy: 2.0344585354441294
Energy: 1.913918257819844
Energy: 1.925379324797369
Energy: 1.8702111837870272
Energy: 1.9919306185493821
Energy: 2.0203903123355427
Energy: 1.997241602047277
Energy: 1.9667064744057021
Energy: 1.931382720302121
Energy: 2.047274435591234
Energy: 2.037382101768869
Energy: 2.145268484619105
Energy: 1.9505732689309425
Energy: 1.8395661521433044
Energy: 2.0366861221330024
Energy: 2.074508051243109
Energy: 2.096524715656436
Energy: 2.019848291050453
Energy: 1.8590671757460695
Energy: 2.030457766683261
Energy: 1.9662860247964766
Energy: 1.9628224768312537
Energy: 1.8398670524070897
Energy: 1.952793241137937
Energy: 2.0255757527728315
Energy: 1.9801760244592743
Energy: 1.960856235301321
Energy: 2.019131670781283
Energy: 2.014707525351478
Energy: 1.869244919065548
Energy: 1.9652764451918145
Energy: 1.9623016107544948
Energy: 1.9126508574435035
Energy: 1.9314845626869288
Energy: 1.8703013047189232
Energy: 1.9763186883334969
Energy: 1.9758152574574508
Energy: 1.9899846937441685
Energy: 2.048217941143602
Energy: 1.869851224003396
Energy: 2.0380831064107006
Energy: 1.9498253059964612
Energy: 1.9490949358347602
Energy: 1.9806108013802861
Energy: 1.8699253257097481
Energy: 2.032499569043228
Energy: 1.9523454594743546
Energy: 1.9494149541589303
Energy: 1.9978671490802573
Energy: 1.933279093213448
Energy: 2.0087511803614237
Energy: 2.0486071156723273
Energy: 2.025808120885169
Energy: 1.9618145448851982
Energy: 1.963047772497759
Energy: 1.9343952146182375
Energy: 2.0510860117856042
Energy: 1.9954764511184155
Energy: 1.9922987854662038
Energy: 1.9483741430543842
Energy: 2.0612516551348934
Energy: 2.0662010102296575
Energy: 2.1843509118381204
Energy: 1.9854740514620541
Energy: 1.9834774408277716
Energy: 2.052345953846678
Energy: 2.0656716299211695
Energy: 2.0289856148980983
Energy: 1.9287578538560228
Energy: 1.9966705736624821
Energy: 2.018254850175682
Energy: 1.9798492197560074
Energy: 1.9535475762153638
Energy: 2.021297825008759
Energy: 2.033953129023163
Energy: 2.018718982090862
Energy: 1.9834373688397362
Energy: 1.947358273452207
Energy: 1.9158974401532312
Energy: 2.118754456470473
Energy: 1.8696199249282965
Energy: 1.9763207088537023
Energy: 1.9753370279978133
Energy: 1.9893722432193015
Energy: 2.0218180391824894
Energy: 1.8689953953403589
Energy: 1.9797963535544305
Energy: 2.067525413223553
Energy: 2.00429018766392
Energy: 2.0072931539816934
Energy: 2.1221921814531752
Energy: 2.050496939936209
Energy: 1.951129905368087
Energy: 2.0805750820364346
Energy: 1.9917865650228188
Energy: 1.80895928815665
Energy: 2.043353785631206
Energy: 1.9522724252449812
Energy: 2.038798955826192
Energy: 1.9603751993486818
Energy: 1.9763959947179683
Energy: 2.0296942625550742
Energy: 2.0411669288228724
Energy: 2.0439069100232556
Energy: 1.997582365397396
Energy: 2.0285710979623937
Energy: 2.0221881235656842
Energy: 2.0260740702701696
Energy: 2.0779268675544458
Energy: 1.9588514374196624
Energy: 2.2013232322727077
Energy: 2.0143813387801934
Energy: 2.0532636826447597
Energy: 1.9382381665340622
Energy: 1.972191544328827
Energy: 2.195952665918213
Energy: 2.050080471966321
Energy: 2.0517258037829857
Energy: 1.959264621053209
Energy: 2.1196242667617033
Energy: 2.0747823177852216
Energy: 2.012929245631361
Energy: 1.9894608808989545
Energy: 1.9371730044912605
Energy: 2.0076671110131437
Energy: 2.027343392859822
Energy: 2.0222539840773117
Energy: 2.001282865057474
Energy: 1.977007285168788
Energy: 2.021256096646261
Energy: 2.020698680957998
Energy: 2.1351883155542164
Energy: 1.9863639503360262
Energy: 1.9938213446795234
Energy: 1.998085728671597
Energy: 2.010460412189156
Energy: 2.1243522729605337
Energy: 1.998037431810548
Energy: 1.9559839838842266
Energy: 2.0331393053209013
Energy: 2.0281589918060305
Energy: 2.014092998074442
Energy: 2.0334254017938993
Energy: 1.9486081692748833
Energy: 2.0567019536920195
Energy: 2.025255751172947
Energy: 2.0117385902444638
Energy: 2.0284105003027553
Energy: 1.948275454391265
Energy: 1.9971757407885473
Energy: 2.04146553923826
Energy: 2.0421642904313484
Energy: 2.0153780677973114
Energy: 2.037276312826977
Energy: 2.033809144451624
Energy: 1.8679005890242366
Energy: 2.0378746424162637
Energy: 2.0371729984751177
Energy: 2.0342019583003235
Energy: 1.8795736651382868
Energy: 2.0369462095168105
Energy: 2.1746494513356107
Energy: 2.062642248047419
Energy: 2.051163672890932
Energy: 2.1625940360055624
Energy: 1.9237372448941588
Energy: 2.2009892291704034
Energy: 2.0629353232154988
Energy: 2.0514417617117213
Energy: 1.9461276574267143
Energy: 2.0980193295692975
Energy: 1.9928512176779642
Energy: 1.9873139904301236
Energy: 1.98150746911017
Energy: 1.9290286049781833
Energy: 1.9876295263714954
Energy: 2.014077780348246
Energy: 1.9925460789161202
Energy: 1.989495583087376
Energy: 1.9565310198474215
Energy: 2.0031206238346453
Energy: 1.9963842444093953
Energy: 2.1363797598914798
Energy: 1.9756517479252476
Energy: 2.004194013148119
Energy: 1.9915045296713252
Energy: 1.9296280114479214
Energy: 2.013759402912251
Energy: 1.979086884439778
Energy: 1.95147256013943
Energy: 2.045689803475057
Energy: 2.0070348958746194
Energy: 1.9963107300806908
Energy: 2.0330873563991965
Energy: 1.9495364802558357
Energy: 1.935141723763842
Energy: 1.953374222900591
Energy: 1.988849784435983
Energy: 2.0193531247252796
Energy: 2.020347104694472
Energy: 2.0216473326012765
Energy: 1.8586384971645664
Energy: 2.0403277854085413
Energy: 2.057679709111044
Energy: 1.9600185061278204
Energy: 1.9527054865952937
Energy: 1.8406138036790118
Energy: 2.026408168762833
Energy: 1.9948368302667518
Energy: 1.9851706124430832
Energy: 1.8605750529049054
Energy: 1.9188111070270621
Energy: 2.1807432219134624
Energy: 2.0386738090065073
Energy: 1.9680471924801928
Energy: 1.8408677411739944
Energy: 1.9513924188450464
Energy: 2.03882960260726
Energy: 2.075819265594203
Energy: 1.983235025771586
Energy: 1.9162190249529834
Energy: 2.022091887561824
Energy: 2.0064406646849013
Energy: 1.9673978139024775
Energy: 1.9609406507330729
Energy: 1.8723975287493315
Energy: 1.935369052428407
Energy: 1.9149169847894523
Energy: 1.9834281339228053
Energy: 1.9798313781248182
Energy: 1.9519516021650456
Energy: 1.9917448765096435
Energy: 1.9960221362040445
Energy: 2.10403481495347
Energy: 1.9605444846996445
Energy: 2.0076526994075325
Energy: 1.984954767359501
Energy: 2.2317611281309215
Energy: 2.0654647946959463
Energy: 2.0333148602562527
Energy: 2.0226217275648475
Energy: 2.0258692638231137
Energy: 1.9918775229636123
Energy: 2.011516563710759
Energy: 2.041332202442147
Energy: 2.03395195929531
Energy: 2.0090730627411157
Energy: 1.9955136007774967
Energy: 1.9504822908350452
Energy: 2.049703695610889
Energy: 2.043498176075525
Energy: 1.9204409620922607
Energy: 1.8714184298260443
Energy: 2.049892713031887
Energy: 2.0663369458447085
Energy: 1.9694679751271367
Energy: 1.9219583149424482
Energy: 1.871420465648152
Energy: 2.0449501099253737
Energy: 1.987760702803251
Energy: 1.9865194420792764
Energy: 1.8706875768369748
Energy: 1.9222725999549464
Energy: 2.0304512904035024
Energy: 1.99336404123172
Energy: 1.9925699695991534
Energy: 1.8708204864818534
Energy: 1.9205168352233186
Energy: 2.034705645756296
Energy: 1.9868589372212093
Energy: 1.972673679507814
Energy: 1.9959559492776684
Energy: 2.0242648194069384
Energy: 2.0060088764302058
Energy: 1.9916375583236696
Energy: 1.9820754310307327
Energy: 1.9494307315233879
Energy: 2.049690867486824
Energy: 1.9842808744660538
Energy: 2.0930054756750853
Energy: 1.948702807216179
Energy: 1.9523642568495732
Energy: 1.995668705323017
Energy: 1.8718466755235805
Energy: 2.077086073776325
Energy: 1.9485577773125626
Energy: 1.9503545632991433
Energy: 1.9927627652673665
Energy: 1.8701975479442585
Energy: 2.0164106975585177
Energy: 2.0348431489400562
Energy: 1.9172740327232651
Energy: 1.9266208040818702
Energy: 1.871237302578116
Energy: 1.9920741994131956
Energy: 2.020508453477366
Energy: 1.998929237614566
Energy: 1.9678371824117127
Energy: 1.9324144230767855
Energy: 2.047640806788078
Energy: 2.0375117577928137
Energy: 2.0417354696553462
Energy: 1.9486018927771682
Energy: 1.840542484982852
Energy: 2.0267212216389305
Energy: 2.073289208642124
Energy: 2.0972163462854083
Energy: 2.0110329899217123
Energy: 1.8597514212846191
Energy: 2.0306626607295257
Energy: 1.9665744625599642
Energy: 1.9624267058234963
Energy: 1.840700918666881
Energy: 1.9356821199268537
Energy: 2.0266713241304957
Energy: 1.980140805870227
Energy: 1.9607929144259602
Energy: 2.01616542651891
Energy: 2.016089257275738
Energy: 1.8689415216000151
Energy: 1.964922729888628
Energy: 1.960794840683055
Energy: 1.9355836578324235
Energy: 2.037147845885489
Energy: 1.8696923874482931
Energy: 1.9770362436225752
Energy: 1.9753164158768446
Energy: 1.991484644102428
Energy: 2.0476269058354077
Energy: 1.8697881032909718
Energy: 2.0373911765721644
Energy: 1.9504480129007062
Energy: 1.9492467527779624
Energy: 1.9805084773614652
Energy: 1.8695336822890138
Energy: 2.0323124871735434
Energy: 1.9515450113367483
Energy: 1.950095048038232
Energy: 1.9987693692753523
Energy: 1.9347322366173516
Energy: 2.0106140708074887
Energy: 2.021796817712943
Energy: 2.0293497331041475
Energy: 1.9682212136314978
Energy: 1.963573220952252
Energy: 1.936845204389547
Energy: 2.033177119202805
Energy: 1.9922344667264398
Energy: 1.9887119802680044
Energy: 1.9134019345319226
Energy: 2.0585390829059693
Energy: 2.070134521509799
Energy: 2.1777547795696957
Energy: 1.931180771814402
Energy: 1.9805878872236617
Energy: 2.0457761384061275
Energy: 2.061437850691195
Energy: 2.025620110999574
Energy: 1.9261618284580495
Energy: 1.9923197409222342
Energy: 2.030330906329453
Energy: 1.9726349635584444
Energy: 1.968722996703692
Energy: 2.0230495576199763
Energy: 2.036611650989462
Energy: 2.021056748587668
Energy: 1.9900758875657047
Energy: 1.9492979502506798
Energy: 1.9114411445093784
Energy: 2.1141099853367664
Energy: 1.8691537137716037
Energy: 1.9694459920849408
Energy: 1.978370284036077
Energy: 1.9919631207963506
Energy: 2.02367401859822
Energy: 1.8697046567709625
Energy: 1.9869895853512454
Energy: 1.987201177491971
Energy: 2.0003836783654645
Energy: 2.002938743986451
Energy: 1.8291786622892894
Energy: 2.0862949356894345
Energy: 1.9510700645798236
Energy: 2.0167238329874255
Energy: 1.9960244445282609
Energy: 1.80835351935423
Energy: 2.0324851182589296
Energy: 1.9521777413288284
Energy: 2.1226692810501415
Energy: 1.9626368363993607
Energy: 2.0098386414828497
Energy: 2.1042379756471874
Energy: 2.050339675616015
Energy: 1.9779489524331635
Energy: 2.0274173230707477
Energy: 2.0149825252563027
Energy: 2.0069565567402132
Energy: 2.015075600657613
Energy: 2.128487684361484

minimum gb energy = 1.80835351935423 eV
minimum distance =  2.44649775016833 Angstroms
sigma value = 105


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

Energy: 2.7320436347062023
Energy: 1.793993907101961
Energy: 1.9593218320200543
Energy: 1.8635923161996069
Energy: 1.8456240999973128
Energy: 2.1472191261786797
Energy: 1.7924917050952527
Energy: 1.9163164665369512
Energy: 1.8610717304205275
Energy: 1.8535293371719581
Energy: 1.975288309354566
Energy: 2.0510360055873784
Energy: 1.8184028606014868
Energy: 1.8212124431941186
Energy: 1.7944525096662436
Energy: 2.0339500396935954
Energy: 2.023429266822646
Energy: 1.8337666745264112
Energy: 1.8386661908437423
Energy: 1.8377806179840512
Energy: 1.9374896570405258
Energy: 1.8867234183884172
Energy: 1.9517907428586119
Energy: 1.8221313137417605
Energy: 1.7950298791409676
Energy: 1.9381268347548053
Energy: 1.9938175846448636
Energy: 1.9434061702633731
Energy: 1.836497921111049
Energy: 1.7954112053205786
Energy: 1.8837245978189743
Energy: 1.8631805951715175
Energy: 1.8442035194878148
Energy: 1.8468596623389457
Energy: 1.7960204145668892
Energy: 1.8858200065308375
Energy: 1.8381610768202121
Energy: 1.8432411539954865
Energy: 1.8413455210799867
Energy: 1.796901013965749
Energy: 1.9841562358543232
Energy: 2.079977783430765
Energy: 1.8459323583109826
Energy: 1.8425391493414933
Energy: 1.8522584524037866
Energy: 2.0192116253078933
Energy: 1.988450024423589
Energy: 1.8415275746421844
Energy: 1.8369752005359758
Energy: 1.8542660803431488
Energy: 1.7751499182166102
Energy: 2.0883349877928254
Energy: 1.9342711485782342
Energy: 1.907033922686094
Energy: 1.9011581046806336
Energy: 1.9348586420690927
Energy: 1.8852699159963215
Energy: 1.9495529568099452
Energy: 1.9388924875566687
Energy: 1.8891440746685266
Energy: 1.857727211959899
Energy: 1.992668914201115
Energy: 1.9411712207197473
Energy: 1.9012830503127087
Energy: 1.9206391417942836
Energy: 1.8416595227929053
Energy: 2.00459385864681
Energy: 2.006708177525284
Energy: 1.9010003723802589
Energy: 1.920107783676594
Energy: 1.7872309039889374
Energy: 1.9078121736588194
Energy: 1.928889485791048
Energy: 1.8372150596500458
Energy: 1.9149329819092389
Energy: 1.7876547881632503
Energy: 1.9095565321909127
Energy: 1.9419366141998244
Energy: 1.8587104574163436
Energy: 1.9071353742951016
Energy: 1.7879003160333569
Energy: 1.9685569496108697
Energy: 2.0340664059191895
Energy: 1.7978321328222775
Energy: 1.7971850957645195
Energy: 1.7871931434259731
Energy: 2.1178532453810037
Energy: 2.0112279778033417
Energy: 1.7988745022262649
Energy: 1.7980675319161106
Energy: 1.8513288225112101
Energy: 1.8929317188506374
Energy: 1.7728688043151564
Energy: 1.7973245581010182
Energy: 1.7965503469112722
Energy: 1.9711495486071982
Energy: 1.892641269725632
Energy: 1.774030655576347
Energy: 1.797494118775617
Energy: 1.797078454971562
Energy: 1.9800658246204315
Energy: 1.7747678975316565
Energy: 2.07597350380939
Energy: 1.998840611186648
Energy: 1.9834621263793475
Energy: 1.9794504154425907
Energy: 1.871608976326016
Energy: 2.0934858860678642
Energy: 1.984845289345366
Energy: 1.9962694565290586
Energy: 2.018534460393629
Energy: 1.8219108483191637
Energy: 2.01217931662427
Energy: 2.005220126029551
Energy: 2.039001783366959
Energy: 2.002688121808697
Energy: 1.959176487547542
Energy: 2.0096963228224367
Energy: 2.0036103604955864
Energy: 1.982788316352426
Energy: 1.9441941621629955
Energy: 2.1844047818442274
Energy: 1.9140863164881694
Energy: 2.006245158695488
Energy: 1.8573253676293082
Energy: 1.85055034924809
Energy: 1.7773815617001703
Energy: 1.9298736018647005
Energy: 2.008828942439537
Energy: 1.8646445814451715
Energy: 1.802295569546825
Energy: 1.8498675680902772
Energy: 2.008835893045163
Energy: 1.8035595880369897
Energy: 1.8030946914456567
Energy: 1.8050642756716857
Energy: 1.8492088401226594
Energy: 2.012656826009868
Energy: 1.8013221400504367
Energy: 1.8008903454522773
Energy: 1.8018615057380243
Energy: 2.0252919982601
Energy: 1.8237647493541504
Energy: 1.8047054415188497
Energy: 1.8058731296053405
Energy: 1.8043574315305657
Energy: 2.090292107618982
Energy: 2.0732231261912935
Energy: 1.8959263295826227
Energy: 1.8035521888100259
Energy: 1.9659037449046404
Energy: 2.067597665963723
Energy: 1.8044824936695525
Energy: 2.0692270676385607
Energy: 1.9997356035067555
Energy: 1.9853923314105495
Energy: 2.09637301444251
Energy: 1.8027769217520198
Energy: 1.9066241593606426
Energy: 2.0684727447946707
Energy: 1.9098143189988148
Energy: 2.0716394344338447
Energy: 1.7774509886099776
Energy: 1.9005801180282518
Energy: 1.8945609468051547
Energy: 2.0646641131774937
Energy: 2.069745292374587
Energy: 1.792312756308432
Energy: 1.90617944337463
Energy: 1.9018391051302492
Energy: 1.863098543582852
Energy: 1.9894874023139788
Energy: 2.0227540739908942
Energy: 1.8933491075503173
Energy: 1.969947805573281
Energy: 1.858909559012215
Energy: 2.0048044661816444
Energy: 2.0452756881565897
Energy: 1.9003715515418806
Energy: 1.9687881514704346
Energy: 1.8275293933630454
Energy: 1.8043301239196767
Energy: 2.0398666979839732
Energy: 2.02195481925443
Energy: 1.83305692391109
Energy: 1.8361375144984933
Energy: 1.915997304679957
Energy: 2.054837577758047
Energy: 1.8566165896887439
Energy: 1.8252104140740155
Energy: 1.8270219602393507
Energy: 1.8215475952143247
Energy: 2.0782392709292137
Energy: 1.9924397905170381
Energy: 1.8325286473064681
Energy: 1.8343477910164792
Energy: 2.0265337507727117
Energy: 2.182630161170532
Energy: 1.8653269665501897
Energy: 1.8257406264469997
Energy: 1.848251475289591
Energy: 1.933154797770784
Energy: 1.9534336501230283
Energy: 1.916289524364017
Energy: 1.8429836764700693
Energy: 1.8862012010711802
Energy: 1.7957037823219784
Energy: 2.012250265824661
Energy: 1.8458379325458532
Energy: 1.8445674507586316
Energy: 1.8433161395974764
Energy: 1.852905829113534
Energy: 1.9757089456296169
Energy: 1.9985583525508979
Energy: 1.845276315520681
Energy: 1.842971943716812
Energy: 1.9062536232945733
Energy: 2.037656637679624
Energy: 1.8463817615621658
Energy: 1.8474325779935943
Energy: 1.9027871126081066
Energy: 1.8750682341783733
Energy: 2.0061261689741317
Energy: 1.9523552291284585
Energy: 1.8539158022369526
Energy: 1.9035743275792567
Energy: 1.8741961354305154
Energy: 2.0338134898027813
Energy: 2.129637731500362
Energy: 1.8570855341737011
Energy: 1.902636581794914
Energy: 1.9127930207601858
Energy: 1.818433901817741
Energy: 1.9869809251169337
Energy: 2.0078284979180854
Energy: 1.9020028445983888
Energy: 1.9125451228820312
Energy: 1.797066323544443
Energy: 1.9511533643064884
Energy: 1.9045988208729392
Energy: 2.016000667580804
Energy: 1.8631522535403164
Energy: 1.7831552162981046
Energy: 2.0089829617639823
Energy: 1.9087018482177167
Energy: 2.019179316319028
Energy: 1.8633565909374998
Energy: 1.784262632271193
Energy: 1.9278478334691593
Energy: 1.9985437517885887
Energy: 1.8011396803378994
Energy: 1.7831263008386622
Energy: 1.9394569304774905
Energy: 2.1481541202428063
Energy: 1.8011622366509095
Energy: 1.801042415009245
Energy: 1.7831718861316566
Energy: 1.7870513503283352
Energy: 2.0596000733329825
Energy: 1.8010156418426082
Energy: 1.7976012810999946
Energy: 1.797392143653019
Energy: 2.0497724484393323
Energy: 1.8926617960055108
Energy: 1.798902675216716
Energy: 1.7972887125047796
Energy: 1.7972376017141842
Energy: 2.0493754315540142
Energy: 1.891652720023802
Energy: 1.7980919470867032
Energy: 1.8563366332611344
Energy: 1.9898111369991158
Energy: 1.8197185244921346
Energy: 1.8163896574491594
Energy: 1.891659715094133
Energy: 1.8646472942001397
Energy: 1.9953364712913007
Energy: 1.8202367035080729
Energy: 1.8157712277324742
Energy: 1.8921315207771876
Energy: 2.0076386944419045
Energy: 1.9800606240686445
Energy: 1.9963293768362367
Energy: 1.9991228507660912
Energy: 2.0259154151005823
Energy: 2.0104186150970906
Energy: 1.9869376545541226
Energy: 1.9974778950300776
Energy: 1.8031635477774568
Energy: 2.0226718638167647
Energy: 2.0113048792264685
Energy: 1.9388729194605863
Energy: 1.851308810218441
Energy: 1.8649780925485708
Energy: 2.006321106044826
Energy: 2.0126036903625204
Energy: 1.9383369900582432
Energy: 1.8491571809814087
Energy: 1.8637106409508943
Energy: 2.00767035155703
Energy: 1.8379900049960862
Energy: 1.8034085357834326
Energy: 1.7781494276863636
Energy: 1.8510555686078665
Energy: 2.0038880172949467
Energy: 1.8359483627999953
Energy: 1.801193376352906
Energy: 1.8136760375834144
Energy: 1.945362033981688
Energy: 2.0087693550302923
Energy: 1.802944971621706
Energy: 1.8046825845260253
Energy: 1.999611983062933
Energy: 1.9810750810459143
Energy: 2.0815030924182256
Energy: 1.8013261194503474
Energy: 1.8007075945283046
Energy: 1.9809041795892526
Energy: 1.9835655877998608
Energy: 2.08407666467621
Energy: 1.8961335200640947
Energy: 1.8143520790908707
Energy: 2.019635333444468
Energy: 1.8191899429600988
Energy: 2.0842376445781916
Energy: 1.9040791297933923
Energy: 1.8848556655575077
Energy: 2.014532684491562
Energy: 1.8198210669438621
Energy: 2.084512212949431
Energy: 1.897728972546736
Energy: 1.8940997426050163
Energy: 2.066094686519589
Energy: 2.0697159351658474
Energy: 1.8252954567873978
Energy: 1.9053923254170901
Energy: 1.9000314670957636
Energy: 2.054611591024726
Energy: 1.97095563922391
Energy: 1.8023631884639213
Energy: 1.893680567757652
Energy: 1.9625232335691827
Energy: 1.9231512272568245
Energy: 2.1640650132763537
Energy: 1.8499989160796135
Energy: 1.9017032843466106
Energy: 1.966158220962882
Energy: 1.858795506120878
Energy: 2.127657237823321
Energy: 1.8449913409980143
Energy: 1.8610751658595837
Energy: 1.8336302480840692
Energy: 1.836521539235249
Energy: 1.8896060210608443
Energy: 2.087016915535759
Energy: 1.8524670235995724
Energy: 1.8248841262562892
Energy: 1.8148542119106594
Energy: 1.9607392034015294
Energy: 2.056173038614889
Energy: 1.8406806824180861
Energy: 1.835377119225286
Energy: 1.8345345735879064
Energy: 1.899403054461072
Energy: 1.9446485620798188
Energy: 1.7925874347334354
Energy: 1.828798209455523
Energy: 1.828494232230781
Energy: 1.9104093791148058
Energy: 1.8766529195630615
Energy: 1.7751940599596507
Energy: 1.8434529542433273
Energy: 1.7953770550964083
Energy: 1.7955598777961674
Energy: 1.9738474757782571
Energy: 1.7752829024008385
Energy: 1.846639761173771
Energy: 1.7948603757859536
Energy: 1.7955509570089039
Energy: 1.8393130723428932
Energy: 1.8480410177247775
Energy: 1.845592048515926
Energy: 1.8409254628797531
Energy: 1.8939699091611364
Energy: 2.018408262547933
Energy: 1.8483585680488506
Energy: 1.8474794417050977
Energy: 1.8424548726889654
Energy: 1.8966175415267665
Energy: 1.9092439018713416
Energy: 1.7753743495152507
Energy: 1.8538717071245867
Energy: 1.8941679753130283
Energy: 1.8726774811443678
Energy: 1.8168165866637123
Energy: 1.7756319824221032
Energy: 1.8567578330910963
Energy: 1.8930325398481223
Energy: 1.8624480793921379
Energy: 2.1298229094245538
Energy: 1.9323800073192734
Energy: 1.8991628136893532
Energy: 1.9005225302495015
Energy: 1.8661603366259139
Energy: 1.8879357446436253
Energy: 1.985241070498448
Energy: 1.900601382327681
Energy: 1.9044337874521502
Energy: 1.8671175217107012
Energy: 2.0687659819822954
Energy: 1.9328851014038917
Energy: 1.8213499177167622
Energy: 1.9066787011954933
Energy: 1.8616018806812575
Energy: 1.8211452397501953
Energy: 1.929505266881498
Energy: 1.832449734543829
Energy: 1.9764172368577664
Energy: 1.861111754648078
Energy: 1.8211737553948237
Energy: 2.0799200417428927
Energy: 1.8001278666663856
Energy: 1.801017212585342
Energy: 1.7892283208082052
Energy: 1.8632989320072502
Energy: 2.078348884557281
Energy: 1.8020226378603048
Energy: 1.80075585277462
Energy: 1.7865815324491656
Energy: 1.862637927797942
Energy: 2.0498915032482627
Energy: 1.7983240291628209
Energy: 1.7968991769170188
Energy: 1.8473129028443938
Energy: 2.051371643623271
Energy: 1.9241415750405406
Energy: 1.7979270857505756
Energy: 1.7970051246154697
Energy: 1.7961795468901787
Energy: 2.0504285131920725
Energy: 2.095520278084557
Energy: 1.7971662767544945
Energy: 1.8565216553961128
Energy: 1.969325338731401
Energy: 1.861528780623854
Energy: 2.091242821857613
Energy: 1.797173660336352
Energy: 1.8557221128095944
Energy: 1.9781389813598178
Energy: 1.8990028517545883
Energy: 1.9157072612648622
Energy: 2.0137817436985026
Energy: 2.008596980324756
Energy: 2.009184671777056
Energy: 1.8195501057966668
Energy: 1.9163779093230289
Energy: 2.013664603927263
Energy: 2.0113185457990506
Energy: 2.0082488812578414
Energy: 1.8201410905224673
Energy: 1.8026965097477599
Energy: 2.004359479883365
Energy: 2.0129578042160894
Energy: 2.026301531372955
Energy: 2.1796025805579027
Energy: 1.8244339592939585
Energy: 2.005261890884159
Energy: 2.0099289695567055
Energy: 2.008735915291064
Energy: 2.1812549783412507
Energy: 1.9459996699233066
Energy: 2.0062229821109976
Energy: 1.7972041914122165
Energy: 1.7977734872197826
Energy: 2.1826608716784373
Energy: 1.9699478455322499
Energy: 1.8024000515871283
Energy: 1.801959244831471
Energy: 1.8034524233761282
Energy: 2.1815120100223337
Energy: 1.9851295871980132
Energy: 1.830558481097877
Energy: 1.7977581951946235
Energy: 1.7997826124950416
Energy: 2.002981893866364
Energy: 1.9885221520153054
Energy: 1.8028281236826653
Energy: 1.8021192389190221
Energy: 1.8029477332411508
Energy: 2.003579056155587
Energy: 1.8193193318065026
Energy: 2.081982721943765
Energy: 2.0257907714897585
Energy: 2.0198097587960353
Energy: 2.0930899307252067
Energy: 1.8778535444330573
Energy: 2.07790640025033
Energy: 1.8020548958849603
Energy: 1.9809568917053126
Energy: 2.1301977643613452
Energy: 1.8164047345391947
Energy: 1.9061489995854992
Energy: 1.9079319407048594
Energy: 1.9027425136230443
Energy: 2.0274409929064894
Energy: 1.7685330775365096
Energy: 1.8932550839315767
Energy: 1.8927575267154875
Energy: 1.8875331759963891
Energy: 2.0457761824696115
Energy: 2.18726054513384
Energy: 1.8383160238397003
Energy: 1.9054932577666128
Energy: 1.964058336812577
Energy: 2.0369618795560225
Energy: 2.1776286154809172
Energy: 1.793130625539215
Energy: 1.8893751198616648
Energy: 1.9654673180645625
Energy: 1.9361402941022083

minimum gb energy = 1.7685330775365096 eV
minimum distance =  2.43365507389834 Angstroms
sigma value = 165


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

Energy: 2.1029930818810567
Energy: 1.6147402313017734
Energy: 1.7555229756245843
Energy: 1.7907842376344663
Energy: 1.6148404858231227
Energy: 2.101906089416753
Energy: 1.6888964990274966
Energy: 1.7635709380848257
Energy: 1.7340554755612345
Energy: 1.8915934863357178
Energy: 1.9416391126373915
Energy: 1.73505588488638
Energy: 1.688111472224182
Energy: 1.6853604952691914
Energy: 1.6894245932259633
Energy: 1.9008599920046483
Energy: 1.734021422187491
Energy: 1.6885069102802754
Energy: 1.6869142776491866
Energy: 1.7350556628901683
Energy: 1.689165090547397
Energy: 1.692760402610197
Energy: 1.9212296536108555
Energy: 1.6903930902010764
Energy: 1.61404631909571
Energy: 1.9450053887638936
Energy: 1.6895976256562513
Energy: 1.946263171047598
Energy: 1.6894460508482938
Energy: 1.617474725510372
Energy: 1.6139822163544606
Energy: 1.6883287269975695
Energy: 1.6867366611192953
Energy: 1.6882221596406464
Energy: 2.099727975685291
Energy: 1.69138324572058
Energy: 1.6884028412358387
Energy: 1.688832703818599
Energy: 1.6878891258227833
Energy: 1.617171481860077
Energy: 1.6888047950290725
Energy: 1.898393593153342
Energy: 1.6881720832025655
Energy: 1.6862414699607051
Energy: 1.730180440086304
Energy: 1.687517446857119
Energy: 1.6762160644960837
Energy: 1.6883009345126756
Energy: 1.6870192791152068
Energy: 1.7299801604949974
Energy: 1.9273618074197119
Energy: 1.8362084220210664
Energy: 1.6913507157095713
Energy: 1.740615693337644
Energy: 1.6868045497537878
Energy: 1.9288807600629951
Energy: 1.9385664254902988
Energy: 1.6903074394050683
Energy: 1.7256297030995087
Energy: 1.6867747428188875
Energy: 1.6881735260022797
Energy: 1.6880996954093512
Energy: 1.7343642912319115
Energy: 1.795589644123454
Energy: 1.7379938174908962
Energy: 1.6887153954076701
Energy: 1.688838564983211
Energy: 1.734983350328139
Energy: 1.7972223585875398
Energy: 1.7355179610306068
Energy: 2.0164823348955396
Energy: 1.6877323282403276
Energy: 1.7910913644754223
Energy: 1.789875140011285
Energy: 1.7375431302298716
Energy: 2.0560915931071495
Energy: 1.687768233867005
Energy: 1.7943357871680128
Energy: 1.788439461557894
Energy: 1.7289929947763127
Energy: 2.0570150304030843
Energy: 1.7374291142281642
Energy: 1.7749416650826222
Energy: 1.6877403243111861
Energy: 1.6880480985549942
Energy: 2.058971284630138
Energy: 1.7370807626589797
Energy: 1.7801882826304227
Energy: 1.6875620726150276
Energy: 1.6131314017349618
Energy: 1.8561579721747608
Energy: 1.7359135387429054
Energy: 1.6885414455586043
Energy: 1.687927830752816
Energy: 1.7348419955443297
Energy: 1.6874368341050632
Energy: 1.7353598971802593
Energy: 1.6886458230336316
Energy: 1.6876764098403914
Energy: 1.7360393738663735
Energy: 1.9797015896740089
Energy: 1.6881729001631567
Energy: 1.9524059620163414
Energy: 1.867753930930586
Energy: 2.0968954600782888
Energy: 1.941488045422833
Energy: 1.6880829431063644
Energy: 1.6901995440817996
Energy: 1.6975739130037353
Energy: 2.0997750606998498
Energy: 1.734897873403516
Energy: 1.642290970773394
Energy: 1.6879141804505164
Energy: 1.6882786756659174
Energy: 1.6136754979087748
Energy: 1.6895802276172704
Energy: 1.6456958939689335
Energy: 1.687639635650276
Energy: 1.6877837802005369
Energy: 1.6135716551457586
Energy: 1.6772092167993304
Energy: 2.0817390340040935
Energy: 1.688550263330613
Energy: 1.7644401874916085
Energy: 1.7589818444704544
Energy: 1.67548053641309
Energy: 1.928547087495216
Energy: 1.688272232149392
Energy: 1.7664348793426863
Energy: 1.7556404690832577
Energy: 1.6889903638578325
Energy: 1.8434625944603047
Energy: 1.7363631288328447
Energy: 1.7436252135626404
Energy: 1.7877406121992336
Energy: 1.688451082543622
Energy: 1.8448623813790728
Energy: 1.6420389266720976
Energy: 1.7435115916947677
Energy: 1.78702018791486
Energy: 1.9437713503821983
Energy: 1.6879026404329582
Energy: 1.789753888068138
Energy: 1.7970671364902298
Energy: 1.7354721775775437
Energy: 1.8687372096930177
Energy: 1.6872465121186195
Energy: 1.7893769415901195
Energy: 1.7971723798835093
Energy: 1.738290685440585

minimum gb energy = 1.6131314017349618 eV
minimum distance =  2.51699261649052 Angstroms
sigma value = 41


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

Energy: 2.773896143459401
Energy: 1.9027059079196513
Energy: 1.7633416253753325
Energy: 1.5921777300124909
Energy: 1.5191387188700194
Energy: 1.5154108643478637
Energy: 1.8491276547180022
Energy: 1.7319311808419386
Energy: 1.6213952623212544
Energy: 1.8390465741927753
Energy: 1.842804723828818
Energy: 1.5861553374974036
Energy: 1.5909259352492653
Energy: 1.592131846557424
Energy: 1.539033516946331
Energy: 1.6373434519316783
Energy: 1.5152673873930815
Energy: 1.6068061864047756
Energy: 1.6084381345416843
Energy: 1.6097565405213232
Energy: 1.5629416812000925
Energy: 2.0190153226008434
Energy: 2.0215706698261
Energy: 1.7305030286974448
Energy: 1.833222477985088
Energy: 1.563488805548538
Energy: 2.019605575481412
Energy: 2.029663741642572
Energy: 1.6924351562815314
Energy: 1.8330251275937794
Energy: 1.6523097284502126
Energy: 1.6484271335965714
Energy: 1.5624149945482642
Energy: 1.563345973652664
Energy: 1.710827095798127
Energy: 2.0192696681456073
Energy: 1.5610648707617232
Energy: 1.5755843386767243
Energy: 1.5625875062173926
Energy: 1.7703192274389914
Energy: 1.6461527789283126
Energy: 1.562839332706885
Energy: 1.5630244103663558
Energy: 1.5633654247888578
Energy: 1.647690388644082
Energy: 1.6474429492050353
Energy: 1.5619882986428006
Energy: 1.5627939614400785
Energy: 1.5631431740822046
Energy: 1.77213208315169
Energy: 1.5903344291721224
Energy: 1.7618234750270598
Energy: 1.726746073275752
Energy: 1.7439231694615858
Energy: 1.5386220641796693
Energy: 1.5899257875800472
Energy: 1.7639055981915575
Energy: 1.6634147145501061
Energy: 1.7143405423022582
Energy: 1.597481682145352
Energy: 1.7872109178059035
Energy: 1.558836707066609
Energy: 1.5592826482426443
Energy: 1.5388863709870408
Energy: 1.6595148415402567
Energy: 1.7396061063591284
Energy: 1.5633855853504348
Energy: 1.5634979654310643
Energy: 1.7140174421555185
Energy: 1.6592783030511558
Energy: 1.8540948076263932
Energy: 1.5589262860462645
Energy: 1.5589234179925457
Energy: 1.800405785413776
Energy: 1.61803815404569
Energy: 1.8534558139742063
Energy: 1.5632868058290763
Energy: 1.5633127524011792
Energy: 1.7204767408868735
Energy: 1.8224449107762835
Energy: 1.8552863250023075
Energy: 1.61206503482009
Energy: 1.8691041611750283
Energy: 1.8627707575992767
Energy: 1.5947118719633808
Energy: 1.6680664123795075
Energy: 1.6101730718488356
Energy: 1.865637606546204
Energy: 1.8951759116693163
Energy: 1.5927980754012596
Energy: 1.6070474404691675
Energy: 1.6070019221970362
Energy: 1.6077018318645206
Energy: 1.750003379863862
Energy: 1.6542952026264974
Energy: 1.6066450125327758
Energy: 1.6075957932159246
Energy: 1.6091687102208776
Energy: 1.7506098785809225
Energy: 1.554850945115661
Energy: 1.5342798526993586
Energy: 1.6075998528862516
Energy: 1.6223927805742056
Energy: 1.9097939495565244
Energy: 1.6855173149308968
Energy: 1.5336927633255808
Energy: 1.6100298221207492
Energy: 1.6391245742390712
Energy: 1.9128507366238763
Energy: 1.8521183729971276
Energy: 1.785403847258907
Energy: 1.737951833048371
Energy: 1.7384388953440766
Energy: 1.644386506080108
Energy: 2.008385634916272
Energy: 1.7750285235328198
Energy: 1.7430350616543038
Energy: 1.7417769163738919
Energy: 1.6442893639533496
Energy: 2.0096262088090127
Energy: 1.7385265163446735
Energy: 1.7384523125972475
Energy: 1.7318331343068607
Energy: 1.5357168295595358
Energy: 1.5925852982313655
Energy: 1.7452827188255293
Energy: 1.7456738060334065
Energy: 1.5451915988258624
Energy: 1.8962397581439585
Energy: 1.554350163754766
Energy: 1.7660904636841037
Energy: 1.649003922874219
Energy: 1.7351900365513053
Energy: 1.823591515230861
Energy: 2.0333932626368347
Energy: 1.7657014771859798
Energy: 1.6412002765610458
Energy: 1.5776695119680881
Energy: 1.504012430996842
Energy: 2.016594351418472
Energy: 1.6852527504508827
Energy: 1.6108860246998795
Energy: 1.6111214766942734
Energy: 2.047935801483137
Energy: 1.6410501438707226
Energy: 1.7612209774025196
Energy: 1.6066513088523844
Energy: 1.554653903572475
Energy: 1.8582000631190352
Energy: 1.6074234980988726
Energy: 1.801969142205925
Energy: 1.6724899731918659
Energy: 1.5847651839796333
Energy: 1.5287080361770495
Energy: 1.7561569211611325
Energy: 2.0329326558882186
Energy: 1.6715292573132328
Energy: 1.5848370205179272
Energy: 1.5287456663194177
Energy: 1.758234959515171
Energy: 1.6660201501437357
Energy: 1.5645965898678276
Energy: 1.5392323273262645
Energy: 1.5868533885261638
Energy: 1.6642751559192988
Energy: 1.7004054990040034
Energy: 1.56545271770356
Energy: 1.5385575451840103
Energy: 1.5881778757929899
Energy: 1.6620918819724713
Energy: 1.5647657623468163
Energy: 1.5648218974528745
Energy: 1.8355094832292806
Energy: 1.6642792597845284
Energy: 1.8180748611656714
Energy: 1.5654110523781106
Energy: 1.5655385463903242
Energy: 1.6294347768508664
Energy: 1.6810925464953368
Energy: 1.816587718877108
Energy: 1.6063760081196559
Energy: 1.6651130199669546
Energy: 1.5375752958429796
Energy: 1.5946164858187073
Energy: 1.81554419224906
Energy: 1.6043417406554765
Energy: 1.665108821622145
Energy: 1.538042693205309
Energy: 1.590910500951601
Energy: 1.8164506382304606
Energy: 1.56306262453331
Energy: 1.5635603063318582
Energy: 1.643243069566993
Energy: 1.6976574718833641
Energy: 1.5610993015707133
Energy: 1.5603093925725775
Energy: 1.5612716946787972
Energy: 1.659142152744824
Energy: 1.7832671081482896
Energy: 1.5632834873523003
Energy: 1.5629378698809027
Energy: 1.7232360918318117
Energy: 1.9019617375245805
Energy: 1.6847181075074693
Energy: 1.5324479917452896
Energy: 1.5603698476636405
Energy: 1.7244723783568718
Energy: 1.8228262099130796
Energy: 1.6860846672256424
Energy: 1.5633171255250549
Energy: 1.7658326172513585
Energy: 1.8613043434160959
Energy: 1.592484722853909
Energy: 1.667796359060614
Energy: 1.6105242078763453
Energy: 1.7635517730164612
Energy: 1.8633847116814897
Energy: 1.5945146145981564
Energy: 1.7118720165974772
Energy: 1.6109084621023069
Energy: 1.6085642159032378
Energy: 1.6018045678795547
Energy: 1.751860837232015
Energy: 1.828356685505472
Energy: 1.6074384679983638
Energy: 1.6065168531797893
Energy: 1.6007514045793785
Energy: 1.7525260757966707
Energy: 1.711225319372553
Energy: 1.6078639367252687
Energy: 1.6189961299403182
Energy: 1.7525853539585863
Energy: 2.135213881059129
Energy: 2.0209272749016476
Energy: 1.6084878890475414
Energy: 1.6234485435759036
Energy: 1.6487122203182323
Energy: 1.9012481916127049
Energy: 1.8957015597993552
Energy: 1.6087324500905305
Energy: 1.7426251763389768
Energy: 1.693815005983813
Energy: 1.8255825231689198
Energy: 1.7907867687587988
Energy: 1.7363918096255966
Energy: 1.7384581453810792
Energy: 1.6773516157305275
Energy: 2.023863794486198
Energy: 1.7763915792469902
Energy: 1.6971875156617606
Energy: 1.7479260897019262
Energy: 1.903277655798295
Energy: 1.5039799724662029
Energy: 1.5768964020928433
Energy: 1.7370442853112757
Energy: 1.7005191035568432
Energy: 1.535397176237162
Energy: 1.5169428059595007
Energy: 1.7482824607452225
Energy: 1.745733010583491
Energy: 1.6019018231326347
Energy: 1.5057887249401183
Energy: 1.5159859913245224
Energy: 1.8326080576392847
Energy: 1.6881155166628794
Energy: 1.6102722166149561
Energy: 1.5186875497859174
Energy: 1.551094103100012
Energy: 1.8364636139191757
Energy: 1.6263620822054936
Energy: 1.6008290913924452
Energy: 1.5568323792625132
Energy: 1.614376298080829
Energy: 1.6636017771440332
Energy: 1.6105678846703797
Energy: 1.6120636209430979
Energy: 2.0304436132082877
Energy: 1.6395347177317603
Energy: 1.704182948020532
Energy: 1.6016102093303881
Energy: 1.5845028594951753
Energy: 1.7109614115808611
Energy: 1.6057392918818059
Energy: 2.0410710078687635
Energy: 1.7454234590592903
Energy: 1.5900679443502475
Energy: 1.7581530083660073
Energy: 1.6059184278329344
Energy: 1.7995976540416536
Energy: 1.7393182889724002
Energy: 1.5648892252233746
Energy: 1.711685358873295
Energy: 1.6008665635960504
Energy: 1.6582833969110145
Energy: 1.5646027560289542
Energy: 1.5285562388323317
Energy: 1.5841232146461617
Energy: 1.6019128851710667
Energy: 1.6617006580200424
Energy: 1.564683161406817
Energy: 1.712261926216982
Energy: 1.7484244465241208
Energy: 1.6854687439532159
Energy: 1.5640717214022488
Energy: 1.5648505170736935
Energy: 1.710398311071384
Energy: 1.7535479339895441
Energy: 1.8188979557408835
Energy: 1.564956919771572
Energy: 1.5652553751026672
Energy: 1.714478706884989
Energy: 1.7873178736335897
Energy: 1.5896395022872793
Energy: 1.6105417132462505
Energy: 1.8682826904168972
Energy: 1.714347684273441
Energy: 1.85000710487745
Energy: 1.7878415558133696
Energy: 1.6049235627997585
Energy: 1.8630336689403675
Energy: 1.7170029843258547
Energy: 1.6984035951475083
Energy: 1.870554827034111
Energy: 1.5639155663468616
Energy: 1.5636237395568702
Energy: 1.715692253865329
Energy: 1.6977259102123425
Energy: 1.8731999755478324
Energy: 1.559270636282019
Energy: 1.5594267256152494
Energy: 1.7595357784425345
Energy: 1.900338161172949
Energy: 1.5344785688136362
Energy: 1.5634031349174493
Energy: 1.6710516033041103
Energy: 1.8451891195267132
Energy: 1.8979484976704661
Energy: 1.5331147286483944
Energy: 1.5589104873177286
Energy: 1.6680384076209205
Energy: 1.8941318533372498
Energy: 1.5945019545119894
Energy: 1.6068625445453881
Energy: 1.6068935651175704
Energy: 1.8651256198205888
Energy: 1.8390987865913953
Energy: 1.5927178713740646
Energy: 1.6087766699058577
Energy: 1.6060216446872502
Energy: 1.8643145059539081
Energy: 1.7522189990076624
Energy: 1.8035370294230735
Energy: 1.6056113368549259
Energy: 1.6061202205883474
Energy: 1.6102035124857843
Energy: 1.7517969733157945
Energy: 1.5350372362801126
Energy: 1.6053984793635991
Energy: 1.6071439476117104
Energy: 1.6193707269351725
Energy: 1.5344506568250018
Energy: 1.8797428636144944
Energy: 1.6058740957471427
Energy: 1.641943508898806
Energy: 1.6845906757592408
Energy: 1.5364068327323483
Energy: 1.7269140260029425
Energy: 1.605698613028595
Energy: 1.648450641747497
Energy: 1.7040859547165306
Energy: 1.6049623484984046
Energy: 1.6118619245796226
Energy: 1.798946018312522
Energy: 1.6840958754689204
Energy: 1.6301766425811943
Energy: 1.6340914176928492
Energy: 1.7804289686787629
Energy: 1.6562648510124083
Energy: 1.731420805241432
Energy: 1.6294932760163734
Energy: 1.9258386589832892
Energy: 1.6083628476367196
Energy: 1.7495634286031903
Energy: 1.7431582269602945
Energy: 1.5775334524292397
Energy: 1.944153117556051
Energy: 1.53992499248344
Energy: 1.7291562156281572
Energy: 1.7397729688240686
Energy: 1.5679295778186488

minimum gb energy = 1.5039799724662029 eV
minimum distance =  2.51184759273016 Angstroms
sigma value = 185


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

Energy: 1.0652044927862614
Energy: 1.0609009778112801
Energy: 1.4846395802613201
Energy: 1.3371336228358266
Energy: 0.7127047141023292
Energy: 0.7135892398623244
Energy: 1.2212433881291147
Energy: 1.451811567538492
Energy: 1.4128741249457824
Energy: 1.061211502373783
Energy: 0.8992792489688683
Energy: 1.3975555316917614
Energy: 1.3975871580541894
Energy: 1.3146171930932762
Energy: 0.9802190529574496
Energy: 0.9803264333623074
Energy: 1.2800626702168
Energy: 1.3856212591743207
Energy: 1.3459604665170668
Energy: 1.236266489980782
Energy: 1.0012210547194875
Energy: 1.3557586498900132
Energy: 1.3738830186446314
Energy: 1.288818727192296
Energy: 0.872600295619974
Energy: 1.242298202321957
Energy: 1.3383630119404897
Energy: 1.365270710104698
Energy: 1.1866725271843932
Energy: 0.714369964645282
Energy: 0.714168085459845
Energy: 1.2719710849499297
Energy: 1.392995490449854
Energy: 1.338377331303898
Energy: 0.9194875506919498
Energy: 0.9192645745288659
Energy: 1.4745624896868044
Energy: 1.4012826479945333
Energy: 1.3233532701853257
Energy: 0.713879747226273
Energy: 1.2367243500623621
Energy: 1.9822669069050223
Energy: 1.3330143554304665
Energy: 1.2575221229051834
Energy: 1.0777241195994334
Energy: 1.34175137345653
Energy: 1.9998774351570365
Energy: 1.0808693574756212
Energy: 1.036185318234143
Energy: 1.001439334127519
Energy: 1.1732147356245815
Energy: 1.413363518863981
Energy: 1.2051883829494878
Energy: 0.7663671221446716
Energy: 0.7726326405758451
Energy: 1.412674970035437
Energy: 1.4208835920907723
Energy: 1.2522673935963886
Energy: 0.7648064869838208
Energy: 0.7700483674958419
Energy: 1.2588517534629278
Energy: 1.4127259729505999
Energy: 1.3340107771421734
Energy: 0.7659195090947062
Energy: 0.7662501978094552
Energy: 1.467601649038749
Energy: 1.415485219188499
Energy: 1.1880590996738911
Energy: 0.7642917528404133
Energy: 1.2625108636009856
Energy: 2.002171111114653
Energy: 1.4008484670425527
Energy: 1.1162182944643078
Energy: 1.163398146017385
Energy: 1.2840070059999866
Energy: 1.984598874357291
Energy: 1.2396256488463973
Energy: 1.2070359118706382
Energy: 1.1650169841914844
Energy: 1.3324679165712485
Energy: 1.4133176378033547
Energy: 1.1939784863085785
Energy: 0.7661116771858535
Energy: 0.7664085327942214
Energy: 1.1072325882839174
Energy: 1.4243425024640834
Energy: 1.3752082751423846
Energy: 0.8160967460764553
Energy: 0.8165002678164001
Energy: 1.326855203853335
Energy: 1.4130905544309824
Energy: 1.2941124294467576
Energy: 0.7167518246793261
Energy: 1.3681690982448924
Energy: 1.3412614504451161
Energy: 1.4177459549473914
Energy: 1.1786553139525948
Energy: 0.8176604724006813
Energy: 1.2201257422701741
Energy: 1.230248104979377
Energy: 1.3276466128243924
Energy: 1.2208110596999335
Energy: 0.7365441651546207
Energy: 1.2710946936685823
Energy: 1.473834715975465
Energy: 1.334630042698261
Energy: 0.7525503254644482
Energy: 0.7707473760907675
Energy: 1.4494222980421911
Energy: 1.9919284426701092
Energy: 1.3876888049233644
Energy: 0.7667297761657121
Energy: 0.7660623091473492
Energy: 1.352016355429186
Energy: 1.4184625956341967
Energy: 1.3059857247565336
Energy: 0.8185861251818409
Energy: 0.818465874421647
Energy: 1.2246363492243446
Energy: 1.4211938324960571
Energy: 1.2000928411703615
Energy: 1.1578281429111283
Energy: 1.23705641874229
Energy: 1.242960156439064
Energy: 1.3998936228248553
Energy: 1.3840441406016533
Energy: 1.2481731523875788
Energy: 1.1821619302633324
Energy: 1.4823284359583913
Energy: 1.4184304341382659
Energy: 0.8167525449891692
Energy: 0.8159660368699141
Energy: 1.322483456267603
Energy: 1.4665992305102111
Energy: 1.4665623639515877
Energy: 0.6645749670442619
Energy: 0.6639448512122884
Energy: 1.1784692448182368
Energy: 1.9746216309241744
Energy: 1.4590800885351327
Energy: 0.7500273838368379
Energy: 0.8162146191008698
Energy: 1.3522146319656834
Energy: 1.4067660071868697
Energy: 1.2287218192360247
Energy: 0.7234433794345644
Energy: 0.664240547816302
Energy: 1.2308130062104339
Energy: 1.424524599859303
Energy: 1.1836132664646082
Energy: 1.2287894122299046
Energy: 1.1991119544011601
Energy: 1.4811802059495935
Energy: 1.4238973073660137
Energy: 1.3928278285813611
Energy: 1.226011376392973
Energy: 1.215195865189644
Energy: 1.2160962428611508
Energy: 1.3922155872747384
Energy: 1.2179970481069915
Energy: 0.6117292264935438
Energy: 1.2784986206686795
Energy: 1.4458339993757756
Energy: 1.4299641027335661
Energy: 0.8163597170121816
Energy: 0.8156145096446183
Energy: 1.2977604592392156
Energy: 1.4790533018825864
Energy: 1.3267628003819782
Energy: 0.6116650890141727
Energy: 0.6122970843734304
Energy: 1.2779253218602524
Energy: 1.9851687337428472
Energy: 1.4043417588438531
Energy: 1.200179810062412
Energy: 0.8055363814341466
Energy: 1.3523464255908457
Energy: 1.397390070246849
Energy: 1.4053725648767472
Energy: 1.2351433720650722
Energy: 1.2043808378312137
Energy: 1.468577096774998
Energy: 1.3980835745356732
Energy: 1.265214838533163
Energy: 0.6478648941677637
Energy: 1.2370309642885942
Energy: 1.4853863294979055
Energy: 1.427641588028931
Energy: 1.4993804089667506
Energy: 0.7499730465006231
Energy: 0.8166641082429913
Energy: 1.4513495086302213
Energy: 1.3963966275672646
Energy: 1.21512502635223
Energy: 0.6654144714284922
Energy: 0.6646956813449132
Energy: 1.4434302096109837
Energy: 1.4229458287028836
Energy: 0.8163008380488
Energy: 0.8161600255020888
Energy: 1.2199717211783645
Energy: 1.4695274565452574
Energy: 1.384967699160165
Energy: 1.1805851130863891
Energy: 1.2097041987674069
Energy: 1.1957772056375258
Energy: 1.9694733887145741
Energy: 1.3935739461945778
Energy: 1.1611827015979974
Energy: 1.2214104944602207
Energy: 1.2761148527340636
Energy: 1.3870604947058418
Energy: 1.3457333570147085
Energy: 0.8187511441893213
Energy: 0.8072264127480625
Energy: 1.4076008778135098
Energy: 1.4673283660239558
Energy: 1.2251640100413679
Energy: 0.7666019418562097
Energy: 1.156794429423441
Energy: 1.4074048604276246
Energy: 1.4188380189650005
Energy: 1.261710321472082
Energy: 0.8182890125517097
Energy: 0.8185395800291032
Energy: 1.4808530194325282
Energy: 1.4077205592198423
Energy: 1.2118009959839091
Energy: 0.7659674224880952
Energy: 0.7665157913725238
Energy: 1.1999032811360277
Energy: 1.4193543356805167
Energy: 1.260593272165228
Energy: 1.2425101799488583
Energy: 1.1722119639457003
Energy: 2.002533012484353
Energy: 1.3406989217762393
Energy: 1.117011651869382
Energy: 1.2687656056873948
Energy: 1.2378435013419051
Energy: 1.9861190999539715
Energy: 1.4688159473768583
Energy: 0.8164358824004858
Energy: 0.8166479994432578
Energy: 1.4063472210101373
Energy: 1.4119542421871316
Energy: 1.2430679002813134
Energy: 0.7662993970267106
Energy: 0.7665969422680968
Energy: 1.2583948986035205
Energy: 1.4166060119321093
Energy: 1.2731432821755022
Energy: 0.7503326501608646
Energy: 0.8164856426979675
Energy: 1.2005019353685624
Energy: 1.4129042868028663
Energy: 1.2098878222017602
Energy: 0.766561211552812
Energy: 0.7663211307411278
Energy: 1.4644091619371982
Energy: 1.3113785757037635
Energy: 1.2459579021889948
Energy: 1.0791191977627745
Energy: 1.333275076512925
Energy: 1.4595687854734687
Energy: 1.2655120743539379
Energy: 1.2466669912375399
Energy: 1.1853082152037426
Energy: 1.1656610970033705
Energy: 1.9989830454815094
Energy: 1.1212599072971259
Energy: 0.7646224428590994
Energy: 0.7645054630172841
Energy: 1.223952843226722
Energy: 1.4087728788833995
Energy: 1.281929415643091
Energy: 0.7660646549328368
Energy: 0.7661149136535093
Energy: 1.3744355689575085
Energy: 1.406537801355576
Energy: 1.3271976716110638
Energy: 1.0336288844311388
Energy: 0.7701658162036393
Energy: 1.2778469490655249
Energy: 1.4186033179434057
Energy: 1.294846604290811
Energy: 1.0759205773792992
Energy: 1.19323915871741
Energy: 1.2062938437293826
Energy: 1.402060127030827
Energy: 1.1698241152223932
Energy: 0.7704442786133652
Energy: 1.0008332253278587
Energy: 1.4015784661685438
Energy: 1.384943943494284
Energy: 1.341570371918992
Energy: 0.8349458828130378
Energy: 1.2669816823901243
Energy: 1.4864460135408544
Energy: 1.2486108420697877
Energy: 0.7143526232530708
Energy: 0.7137162318537268
Energy: 1.241825004691911
Energy: 1.965365267194476
Energy: 1.3288513344936976
Energy: 0.9189825080636302
Energy: 0.9188518915453018
Energy: 1.3042678114621682
Energy: 1.3961910446532146
Energy: 1.2973175908972676
Energy: 1.0039701579640326
Energy: 1.2314012737363533
Energy: 1.2224184381904766
Energy: 1.3973715216250433
Energy: 1.2211547404656997
Energy: 0.9759354462963963
Energy: 1.0694641691690259
Energy: 1.394363426936523
Energy: 1.4267954863379206
Energy: 1.3532338186497161
Energy: 0.9631935970371478
Energy: 1.3594418651526088
Energy: 1.5170926027097071
Energy: 1.457954041323267
Energy: 0.9782126699364202
Energy: 0.7120192326531084
Energy: 1.2896710484465825
Energy: 1.4530421483518072
Energy: 1.477652882053277
Energy: 1.060827317624973

minimum gb energy = 0.6116650890141727 eV
minimum distance =  2.53858994511574 Angstroms
sigma value = 33


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

Energy: 2.29550490626662
Energy: 1.5843627467513808
Energy: 1.4765701749891658
Energy: 1.473995266584663
Energy: 1.7104915488382004
Energy: 1.8473326522514137
Energy: 1.5513460264247427
Energy: 1.4743161408748957
Energy: 1.4773644581340042
Energy: 1.8274596115756885
Energy: 1.3896917266137772
Energy: 1.476584192747751
Energy: 1.4753037371601012
Energy: 1.4748428559704112
Energy: 1.414916529681635
Energy: 1.4238839867364936
Energy: 1.4656930793366796
Energy: 1.4772243839958334
Energy: 1.4764099401644275
Energy: 1.4258386596740673
Energy: 1.4756314566743582
Energy: 1.4760354575380512
Energy: 1.480003245167875
Energy: 1.6043465942067232
Energy: 1.3780614252498806
Energy: 1.4370610211913664
Energy: 1.4654328295880312
Energy: 1.4658845599075283
Energy: 1.67066206935664
Energy: 1.3777303121283457
Energy: 1.5765525267741822
Energy: 1.548741636936668
Energy: 1.5068930354529566
Energy: 1.6698794966453947
Energy: 1.384176938947891
Energy: 1.5356514763897866
Energy: 1.5538358977710258
Energy: 1.5294520309840842
Energy: 1.6663622687313318
Energy: 1.6152614340276448
Energy: 1.4242313157456798
Energy: 1.4261045288162013
Energy: 1.5469497704493946
Energy: 1.4455982856876957
Energy: 1.4255279110161996
Energy: 1.4254592058387912
Energy: 1.4275950094154253
Energy: 1.5521789629972957
Energy: 1.416909414644807
Energy: 1.425153189658141
Energy: 1.4244925110238074
Energy: 1.4244554568440648
Energy: 1.530829123538095
Energy: 1.4662569558044753
Energy: 1.3803433611151958
Energy: 1.4256273645088267
Energy: 1.4262590561357078
Energy: 1.4939319497090955
Energy: 1.3772633638733736
Energy: 1.3819308333869036
Energy: 1.6225463995544505
Energy: 1.7221202559554059
Energy: 1.4587661970042922
Energy: 1.3784417615141034
Energy: 1.6105327242521101
Energy: 1.6803690679039076
Energy: 1.721850550735958
Energy: 1.4599359673523604
Energy: 1.378018139053109
Energy: 1.61037892849721
Energy: 1.3933096491618429
Energy: 1.5135414280097443
Energy: 1.4111721113416082
Energy: 1.3945368855466054
Energy: 1.3930209362233366
Energy: 1.3935148934907462
Energy: 1.5118239175710786
Energy: 1.4115814720113797
Energy: 1.3941046789906384
Energy: 1.394452824322765
Energy: 1.3936495477493243
Energy: 1.417594033104295
Energy: 1.6653721099004684
Energy: 1.7866356942339574
Energy: 1.3937807230400143
Energy: 1.3930478770197074
Energy: 1.4173147143269897
Energy: 1.6648807646923627
Energy: 1.7442849122669828
Energy: 1.393830596540619
Energy: 1.7241098433574316
Energy: 1.4228705302122804
Energy: 1.4223565106296683
Energy: 1.3908690228705445
Energy: 1.394441228657699
Energy: 1.629642612143296
Energy: 1.4224139401106068
Energy: 1.6794302510280268
Energy: 1.3909241937967818
Energy: 1.4225633619638232
Energy: 1.591956875885611
Energy: 1.5853487269362672
Energy: 1.3918023557615995
Energy: 1.3910254556110435
Energy: 1.39050761052568
Energy: 1.7214441764559603
Energy: 1.5864044056221287
Energy: 1.390993760167996
Energy: 1.39099618212211
Energy: 1.3904189729467784
Energy: 1.419311916355241
Energy: 1.602171323104271
Energy: 1.6968362327978592
Energy: 1.3917715205392407
Energy: 1.3759908293190195
Energy: 1.4199642669016583
Energy: 1.6021247284883793
Energy: 1.6677099403024236
Energy: 1.3918255039040823
Energy: 1.3763587535132975
Energy: 1.721606405555014
Energy: 1.8469761587817495
Energy: 1.3905199246554434
Energy: 1.3913855463340465
Energy: 1.5753071307959974
Energy: 1.7205485678745256
Energy: 1.3909126430398642
Energy: 1.3901995274175765
Energy: 1.3918067414624258
Energy: 1.7775538246914198
Energy: 1.6688354770198377
Energy: 1.7574043563826953
Energy: 1.3910331358089234
Energy: 1.3908798446773574
Energy: 1.490729373649549
Energy: 1.66848657413893
Energy: 1.3911651057216656
Energy: 1.390466585968147
Energy: 1.390189405837114
Energy: 1.4832530932949992
Energy: 1.4139229798534985
Energy: 1.8845990523914797
Energy: 1.857145976357431
Energy: 1.4671772093312918
Energy: 1.554129302295469
Energy: 1.413768144108631
Energy: 1.3995010052776677
Energy: 1.85680402602083
Energy: 1.3759596368956226
Energy: 1.553900150267312
Energy: 1.3994851437411422
Energy: 1.398762038044699
Energy: 1.3988963760904651
Energy: 1.3751406486080129
Energy: 1.643179883366567
Energy: 1.3994238255246263
Energy: 1.399719962728679
Energy: 1.3994593190935054
Energy: 1.5645977128660438
Energy: 1.6195943546047855
Energy: 1.682920717567113
Energy: 1.40065206358425
Energy: 1.3989965056851201
Energy: 1.4063594806758304
Energy: 1.5082711244713878
Energy: 1.6406022484864582
Energy: 1.3990557931074357
Energy: 1.3997867205393344
Energy: 1.3822751693117277
Energy: 1.623457480389605
Energy: 1.4200844462879996
Energy: 1.468061267408788
Energy: 1.8770305999678991
Energy: 1.8107749255207701
Energy: 1.4071528160905633
Energy: 1.4144675556970807
Energy: 1.4080709174101045
Energy: 1.8773666159198548
Energy: 1.7748327955296008
Energy: 1.4087641643495517
Energy: 1.4195209526423138
Energy: 1.4203890082408743
Energy: 1.429726091764887
Energy: 1.3993473016962992
Energy: 1.6146255706197885
Energy: 1.4146210768816996
Energy: 1.4141212141905866
Energy: 1.8304368973236087
Energy: 1.4221949860143677
Energy: 1.419526881557892
Energy: 1.6113129789618355
Energy: 1.3801287644655404
Energy: 1.3792642057803906
Energy: 1.4821288365599483
Energy: 1.6084676229415542
Energy: 1.6118790845287272
Energy: 1.362750892911289
Energy: 1.3672278620999037
Energy: 1.4573699734809897
Energy: 1.6080316151320795
Energy: 1.4806387061522301
Energy: 1.652239294375167
Energy: 1.6251453649301062
Energy: 1.466923747001339
Energy: 1.4789487728596127
Energy: 1.4576866952640413
Energy: 1.637351112761868
Energy: 1.9394133899969885
Energy: 1.4546786677983363
Energy: 1.4809991405929708
Energy: 1.4422674549945238
Energy: 1.4284419165774462
Energy: 1.412900199044203
Energy: 1.474043323171282
Energy: 1.4792604655679356
Energy: 1.447434614645756
Energy: 1.4281627614367414
Energy: 1.3914766730567798
Energy: 1.4688450261046746
Energy: 1.4802109689199447
Energy: 1.6906116311049029
Energy: 1.385054187614025
Energy: 1.5506235377270552
Energy: 1.4742474532559589
Energy: 1.4784444086901054
Energy: 1.6971318872896723
Energy: 1.3844132453584879
Energy: 1.4695959308878377
Energy: 1.4691503164772763
Energy: 1.4730154576192314
Energy: 1.669035830367714
Energy: 1.3783201934454963
Energy: 1.5355945962177842
Energy: 1.6031785751496372
Energy: 1.5082998904910496
Energy: 1.414806146916599
Energy: 1.3781378983344388
Energy: 1.5365386813442277
Energy: 1.607181786056725
Energy: 1.509811457281432
Energy: 1.394454200940046
Energy: 1.4273679118817193
Energy: 1.427142475066533
Energy: 1.4265190839191604
Energy: 1.4969301413585567
Energy: 1.393660766075884
Energy: 1.4269879158898962
Energy: 1.4274359724189694
Energy: 1.528983629747513
Energy: 1.4147765698850958
Energy: 1.3790669195906824
Energy: 1.5644066296500663
Energy: 1.426030622011699
Energy: 1.427673540255712
Energy: 1.6237463106002852
Energy: 1.417848454502245
Energy: 1.531967629940453
Energy: 1.426807709882915
Energy: 1.5311161245499776
Energy: 1.6210946039740193
Energy: 1.3762043421152612
Energy: 1.3947064408459988
Energy: 1.723468821715892
Energy: 1.6800433220895616
Energy: 1.4598053117598035
Energy: 1.375792646112542
Energy: 1.3943315067547595
Energy: 1.7234662623681354
Energy: 1.5888495249358945
Energy: 1.4593136659698946
Energy: 1.3941025233536073
Energy: 1.3949365481172415
Energy: 1.3951088064981483
Energy: 1.595800274381368
Energy: 1.3757773857008238
Energy: 1.3939137391174454
Energy: 1.393927945960728
Energy: 1.3949146378831982
Energy: 1.5962994702959106
Energy: 1.3757747887077438
Energy: 1.5547570543857463
Energy: 1.3944097674503324
Energy: 1.3755764304891778
Energy: 1.5243572126208491
Energy: 1.6038553924838923
Energy: 1.5258066128262966
Energy: 1.3939308431446389
Energy: 1.4173785935385026
Energy: 1.5242911525744156
Energy: 1.3773251122836363
Energy: 1.3906419131439
Energy: 1.3751030643435578
Energy: 1.6958539229309193
Energy: 1.5179928989168472
Energy: 1.3928082272066484
Energy: 1.390922442377898
Energy: 1.3749740376670332
Energy: 1.644326462638476
Energy: 1.4222994783541036
Energy: 1.3919740895200636
Energy: 1.3908226169109381
Energy: 1.392597900390155
Energy: 1.8315557163374447
Energy: 1.635149288988986
Energy: 1.3914860761409618
Energy: 1.3911644836749868
Energy: 1.3913495557553675
Energy: 1.5921050799904979
Energy: 1.3769099277528938
Energy: 1.3911246502922996
Energy: 1.3903744091955224
Energy: 1.6941366903644934
Energy: 1.4174495382531964
Energy: 1.374966424919275
Energy: 1.390801744845758
Energy: 1.6580626613070468
Energy: 1.6929886421016058
Energy: 1.4189729418076544
Energy: 1.37464091950001
Energy: 1.390782887089873
Energy: 1.3908758213379682
Energy: 1.375592228381773
Energy: 1.5873822811945353
Energy: 1.3918019959888337
Energy: 1.3909606488870019
Energy: 1.3910595055927513
Energy: 1.3760545500166301
Energy: 1.5874151161976648
Energy: 1.391597818262128
Energy: 1.391069480229894
Energy: 1.391301546447152
Energy: 1.4307210144933713
Energy: 1.7086569180934923
Energy: 1.3907030616309803
Energy: 1.391044393607664
Energy: 1.3932900409317572
Energy: 1.4306452982676798
Energy: 1.8443284437999463
Energy: 1.3916142867978283
Energy: 1.391357753596069
Energy: 1.7935183327162303
Energy: 1.6366692389576631
Energy: 1.4136436332018907
Energy: 1.399441492732309
Energy: 1.6265748829757405
Energy: 1.690520183485582
Energy: 1.5660864092592757
Energy: 1.4136931518698828
Energy: 1.3985684612290987
Energy: 1.627838543704652
Energy: 1.3754834577908062
Energy: 1.590893878782625
Energy: 1.3990739712483953
Energy: 1.3993283933217757
Energy: 1.3997134924672057
Energy: 1.3910273944558276
Energy: 1.586761756691966
Energy: 1.3986998202345087
Energy: 1.4003919757431273
Energy: 1.3989112100570575
Energy: 1.4489712285631282
Energy: 1.6550057212199567
Energy: 1.7148237652072087
Energy: 1.4000991840027057
Energy: 1.3749452418517236
Energy: 1.4190848438685677
Energy: 1.621133823077556
Energy: 1.6957787604341878
Energy: 1.3998910251814711
Energy: 1.3753202582908828
Energy: 1.7180441711724321
Energy: 1.4138266638849064
Energy: 1.414595087424597
Energy: 1.4869775059221686
Energy: 1.3792469426420382
Energy: 1.5708977197013756
Energy: 1.4201312517340279
Energy: 1.4201699466705677
Energy: 1.646507120695576
Energy: 1.3794574026940178
Energy: 1.4960594502477216
Energy: 1.6139425646676668
Energy: 1.4149498132878464
Energy: 1.391487558441376
Energy: 1.4006499943427535
Energy: 1.502720542574868
Energy: 1.428065125867193
Energy: 1.4206592655431396
Energy: 1.4140795529226793
Energy: 1.3999251271818831
Energy: 1.4810717298145466
Energy: 1.6081652708722323
Energy: 1.610408376770718
Energy: 1.452904745239088
Energy: 1.3694138444015167
Energy: 1.4566138544610423
Energy: 1.6086743244591564
Energy: 1.4807572860678437
Energy: 1.3719262810706483
Energy: 1.588748570428092
Energy: 1.4807100268730276
Energy: 1.4826842452735556
Energy: 1.4602889975927584
Energy: 1.3668612314508743
Energy: 1.4519182902081618
Energy: 1.4809274214192116
Energy: 1.4802694683506894
Energy: 1.4820950060223246
Energy: 1.3740629763255001
Energy: 1.698449583430053
Energy: 1.4751701691536374
Energy: 1.479493842862717
Energy: 1.4380935641030124
Energy: 1.3911569438934788
Energy: 1.4556215232307395
Energy: 1.4731575647923878
Energy: 1.4799455121169147
Energy: 1.4275731067274098
Energy: 1.4125367070242014
Energy: 1.474186533432062
Energy: 1.4747680240609184
Energy: 1.5154808645146602
Energy: 1.7939283517442945
Energy: 1.382663355855649
Energy: 1.548030550757511
Energy: 1.4701355213819867
Energy: 1.484328911232435
Energy: 1.7928555622858773
Energy: 1.5329286053046507
Energy: 1.4771646725186742
Energy: 1.5126987010979591
Energy: 1.5084311253981868
Energy: 1.4153950787557974
Energy: 1.4286771096838349
Energy: 1.5561891123987235
Energy: 1.5132189620186653
Energy: 1.5107819872552026
Energy: 1.414912139021831
Energy: 1.4276654100949473
Energy: 1.5349070718166407
Energy: 1.427331602783297
Energy: 1.4159608438434825
Energy: 1.3797839519144623
Energy: 1.4265720298999607
Energy: 1.427384285433769
Energy: 1.6056757779597224
Energy: 1.4160605900858587
Energy: 1.4266642291928062
Energy: 1.4266884535691549
Energy: 1.4260154091011399
Energy: 1.5095511212882105
Energy: 1.5889057404000253
Energy: 1.6405875585341074
Energy: 1.4167671069098648
Energy: 1.427715586546094
Energy: 1.5114425835070526
Energy: 1.6257860942254716
Energy: 1.7430061957935339
Energy: 1.4527278479978052
Energy: 1.4269665589891347
Energy: 1.7466013971280305
Energy: 1.378024477302108
Energy: 1.393725025602618
Energy: 1.393626580201101
Energy: 1.6368596641471804
Energy: 1.759309988629026
Energy: 1.3992279967416144
Energy: 1.3937380958078907
Energy: 1.3937008834189923
Energy: 1.7258127537227383
Energy: 1.647343335063379
Energy: 1.3765819311429557
Energy: 1.393763534208472
Energy: 1.394266759874313
Energy: 1.3939947337628573
Energy: 1.6499081956270396
Energy: 1.3760640709928849
Energy: 1.3938873970469718
Energy: 1.3940289025821986
Energy: 1.4524819946787555
Energy: 1.4226567005336002
Energy: 1.4694875730012211
Energy: 1.4225102011671822
Energy: 1.4110403481952831
Energy: 1.6895136699886277
Energy: 1.4157291140134212
Energy: 1.702733447288008
Energy: 1.4224215932118418
Energy: 1.3802808625122625
Energy: 1.611620828718117
Energy: 1.4837787585318485
Energy: 1.3902030541108432
Energy: 1.3906037204087764
Energy: 1.3746146080762047
Energy: 1.5875080769603125
Energy: 1.4226833978133315
Energy: 1.3902525616868633
Energy: 1.3909295833586106
Energy: 1.575653617532162
Energy: 1.5880249487036484
Energy: 1.6026058858317591
Energy: 1.3916625241842067
Energy: 1.3908151935954496
Energy: 1.3908899279053781
Energy: 1.8465324970101364
Energy: 1.6025280309037402
Energy: 1.391904447888426
Energy: 1.39106946246587
Energy: 1.961951089967386
Energy: 1.8842479669983965
Energy: 1.3770731066044222
Energy: 1.3916481491236117
Energy: 1.688383766380944
Energy: 1.688370434703836
Energy: 1.4183194041928324
Energy: 1.4697971648132275
Energy: 1.3905184905618944
Energy: 1.688368921816887
Energy: 1.6390363727853827
Energy: 1.417688366061532
Energy: 1.3906132807937839
Energy: 1.3912478847828569
Energy: 1.3906813393201685
Energy: 1.5008666025099036
Energy: 1.4374972720358892
Energy: 1.390064327390464
Energy: 1.3903009181193553
Energy: 1.39061488534977
Energy: 1.5030146378525369
Energy: 1.5228381857666373
Energy: 1.5470497625296697
Energy: 1.3914059358648785
Energy: 1.3777131316184492
Energy: 1.4311270240263045
Energy: 1.7082764813550084
Energy: 1.430331847139151
Energy: 1.3912567572897019
Energy: 1.3798536875333638
Energy: 1.4311285248870675
Energy: 1.7079270126949009
Energy: 1.3969219641021262
Energy: 1.5743329446205512
Energy: 1.637353244435787
Energy: 1.413683929605644
Energy: 1.3981538937477809
Energy: 1.398616436384756
Energy: 1.6101421567988783
Energy: 1.6382295625479948
Energy: 1.4129141264072225
Energy: 1.3969934950910476
Energy: 1.397527840301882
Energy: 1.3964331541994452
Energy: 1.5015676577873143
Energy: 1.681723312427204
Energy: 1.397812041620132
Energy: 1.3984024018682202
Energy: 1.398387004670836
Energy: 1.5008939191297812
Energy: 1.6501377589665922
Energy: 1.401406536483279
Energy: 1.4082669590926318
Energy: 1.379819095124246
Energy: 1.54583631234982
Energy: 1.699699872730081
Energy: 1.7065700325000637
Energy: 1.3769259383109016
Energy: 1.379298241603159
Energy: 1.5133078232936152
Energy: 1.6883269182470473
Energy: 1.5223513275657106
Energy: 1.4834371164118145
Energy: 1.467676053600143
Energy: 1.5369601237809019
Energy: 1.410330752537005
Energy: 1.4103704319520947
Energy: 1.3890778841500002
Energy: 1.3770022436326526
Energy: 1.5473896120679977
Energy: 1.4215506457144818
Energy: 1.421986648950304
Energy: 1.4227191100156424
Energy: 1.424427265269369
Energy: 1.6090772544775764
Energy: 1.4119772974957139
Energy: 1.3795250792762943
Energy: 1.3788978209189047
Energy: 1.5452023954498004
Energy: 1.6077201247333366
Energy: 1.4242120790501158
Energy: 1.4227495353782817
Energy: 1.3822001845561545
Energy: 1.6125362534289696
Energy: 1.4768223763960033
Energy: 1.5156972620156388
Energy: 1.5762998950208589
Energy: 1.3657782584885634
Energy: 1.5639482930897946
Energy: 1.4748308404014936
Energy: 1.539857288192504
Energy: 1.495143377490224

minimum gb energy = 1.362750892911289 eV
minimum distance =  2.47879212145058 Angstroms
sigma value = 219


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

Energy: 2.2619703400601128
Energy: 1.6537876728912693
Energy: 1.7850342988063013
Energy: 1.7178019767273343
Energy: 1.6559845037833862
Energy: 2.118605113420157
Energy: 1.7628199511063498
Energy: 1.785864886506653
Energy: 1.7187464627085782
Energy: 1.655762892047931
Energy: 1.5225226645037866
Energy: 1.7176720916414452
Energy: 1.7162495227045655
Energy: 1.7162079180600218
Energy: 1.6001142628398979
Energy: 1.6008787851597501
Energy: 1.7177686501061977
Energy: 1.7162956097530224
Energy: 1.716548784874468
Energy: 1.6000461730759554
Energy: 1.717225286402167
Energy: 1.7162925985763364
Energy: 1.7169151670177836
Energy: 1.6008796668538898
Energy: 1.5908366549612107
Energy: 1.7173282117135245
Energy: 1.716116779086652
Energy: 1.7156111298512238
Energy: 1.6007135270021862
Energy: 1.5908230779634396
Energy: 1.9715309828435181
Energy: 1.7860291315907255
Energy: 1.8409499573639452
Energy: 1.7604341101218324
Energy: 2.052793600852004
Energy: 1.7863975158847527
Energy: 1.7864674540570749
Energy: 1.844210054702173
Energy: 1.7521427994100263
Energy: 1.7511383504776732
Energy: 1.5999333518060677
Energy: 1.6047580651043036
Energy: 1.7547813599371838
Energy: 1.600201174478221
Energy: 1.600941059889149
Energy: 1.5999344226025465
Energy: 1.7780492766160214
Energy: 1.7550594696478024
Energy: 1.5998434269506239
Energy: 1.6009235991564168
Energy: 1.600446312039595
Energy: 1.601142398611603
Energy: 1.9466576955713168
Energy: 1.9970663751153577
Energy: 1.7434297779698025
Energy: 1.6001645605337025
Energy: 1.600541730635507
Energy: 1.9465608826084861
Energy: 1.999334779477107
Energy: 1.6022259236345389
Energy: 1.521122141679469
Energy: 1.5203018106611366
Energy: 1.6017092774770818
Energy: 1.6007588207763768
Energy: 1.601163367443967
Energy: 1.5214850322340232
Energy: 1.8599734752704196
Energy: 1.6012877063658464
Energy: 1.9705944452034114
Energy: 1.6007904027755748
Energy: 1.600088886218928
Energy: 1.6543241480570212
Energy: 1.9206612251117776
Energy: 1.6484954256110214
Energy: 1.6013839980945854
Energy: 1.6017108824170818
Energy: 1.6540967608106079
Energy: 1.9194438296570795
Energy: 1.6010820018202834
Energy: 1.5996153311266048
Energy: 1.5216122302625226
Energy: 1.601025800099413
Energy: 1.8387880021259895
Energy: 1.8413482390126514
Energy: 1.599975135187176
Energy: 1.5225555324375575
Energy: 1.6009792772250757
Energy: 1.8378782345691613
Energy: 1.841097294929467
Energy: 1.6001346603043591

minimum gb energy = 1.5203018106611366 eV
minimum distance =  2.50186478817721 Angstroms
sigma value = 15


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

Energy: 2.5853342600635196
Energy: 1.8390203635398124
Energy: 1.9533221348187204
Energy: 1.9013534369679446
Energy: 1.9310340559908834
Energy: 2.2031293819219466
Energy: 1.9030156058739565
Energy: 1.9564535774181298
Energy: 1.9028976078955002
Energy: 1.9313294569158699
Energy: 1.89666103871867
Energy: 1.8432694571631931
Energy: 1.9055117323905684
Energy: 1.9014507232702973
Energy: 1.886211610562236
Energy: 1.894330627832022
Energy: 1.8431735158867122
Energy: 1.9045046902794585
Energy: 1.9060171212676162
Energy: 1.873356986433095
Energy: 1.84575100237054
Energy: 1.844254755480662
Energy: 1.8864876848454843
Energy: 1.9042798143325494
Energy: 2.0115361742603834
Energy: 1.8436573622336676
Energy: 1.843081829019836
Energy: 1.8843269469808441
Energy: 1.8905171650758104
Energy: 2.011585557542476
Energy: 1.9125255199863676
Energy: 1.841756904048027
Energy: 2.019260225572651
Energy: 2.106937090579176
Energy: 2.2002796631244004
Energy: 1.9110744386529563
Energy: 1.842501568696426
Energy: 1.9549858714826764
Energy: 2.107155756831617
Energy: 2.2058470496285416
Energy: 1.8431175504495958
Energy: 1.9556533207723545
Energy: 2.1469725825235737
Energy: 2.0649999512138573
Energy: 1.843179122043213
Energy: 1.843320701009762
Energy: 1.9578741955861054
Energy: 2.0162380739707744
Energy: 1.9304268453101956
Energy: 1.842900002873743
Energy: 1.8442663742417087
Energy: 1.966663008132775
Energy: 1.9266045347336938
Energy: 1.9023268850698853
Energy: 1.9146926950684775
Energy: 1.8439955067615006
Energy: 2.093568993405379
Energy: 1.9016369460881848
Energy: 1.9033764585467567
Energy: 1.918565757015976
Energy: 1.9591423855614831
Energy: 2.0369477819375494
Energy: 1.9044728210076058
Energy: 1.9012567743771622
Energy: 1.901974036563533
Energy: 2.006587834631337
Energy: 2.038023073803671
Energy: 1.9046272416513617
Energy: 1.9015403038989847
Energy: 1.9099293354547624
Energy: 1.9032397214313006
Energy: 1.8322409064848526
Energy: 1.9000347608251589
Energy: 1.961760117775609
Energy: 2.052855647395686
Energy: 1.9056621038392134
Energy: 1.832492926232391
Energy: 1.9840044791427245
Energy: 1.9600635214204918
Energy: 2.0529745625345037
Energy: 1.9325283547617744
Energy: 1.8930628093297193
Energy: 1.8987674058495059
Energy: 1.9867168898614067
Energy: 2.026708367421471
Energy: 1.9356840563691813
Energy: 1.8928885520652439
Energy: 1.8948798959234363
Energy: 2.053296798939372
Energy: 1.910018136785204
Energy: 2.098808559294077
Energy: 1.9544796821021326
Energy: 1.8923751555709256
Energy: 2.0305265517735274
Energy: 1.9646519783931884
Energy: 2.097783229199105
Energy: 1.893742547619659
Energy: 1.882805611246713
Energy: 1.9797122609030473
Energy: 2.1215555256290073
Energy: 1.8194873478892915
Energy: 1.8193867540989672
Energy: 2.0100500725909356
Energy: 2.0236103754013866
Energy: 2.0148969612511793
Energy: 1.8191140484348476
Energy: 1.8192374190169895
Energy: 2.0224432787042206
Energy: 1.9567637585989988
Energy: 1.8186498135698093
Energy: 1.820433071124405
Energy: 1.8184453207100026
Energy: 1.9979233025260525
Energy: 1.820143844774802
Energy: 1.8648639124228574
Energy: 1.8257184406595466
Energy: 1.8185781045734695
Energy: 1.9983948818041204
Energy: 1.8198674594831243
Energy: 1.8606437483209566
Energy: 1.8204270720881506
Energy: 1.8877941606878357
Energy: 1.9824483670480468
Energy: 1.8174779638910852
Energy: 1.8257622667111513
Energy: 1.8215718253273632
Energy: 1.887578451845034
Energy: 1.984688721125214
Energy: 1.8170260033088697
Energy: 1.8186885285176886
Energy: 2.1219735510464743
Energy: 1.9051406473319605
Energy: 1.8331802919452655
Energy: 2.0374295554099917
Energy: 2.144441977606908
Energy: 2.1211955695799998
Energy: 1.9073688618745244
Energy: 1.8336813929094502
Energy: 2.031175104964193
Energy: 2.1486983097004173
Energy: 2.087917732307353
Energy: 1.9960400892575159
Energy: 1.9007017356461795
Energy: 1.8924138492014801
Energy: 2.1460984528605627
Energy: 2.092328996681487
Energy: 1.997437374803835
Energy: 1.8966925348563703
Energy: 1.8925891361817404
Energy: 2.148493019260115
Energy: 2.05452218050871
Energy: 2.050562567446986
Energy: 1.8921458563297386
Energy: 1.8929355586407375
Energy: 1.9736386289733832
Energy: 2.066639084219248
Energy: 2.0505127980657756
Energy: 1.892383255578824
Energy: 1.893011809772652
Energy: 2.023396994815615
Energy: 2.058850472131876
Energy: 1.9459668451478493
Energy: 1.901883225302968
Energy: 2.201241779218463
Energy: 1.929699000868709
Energy: 2.0518540192721577
Energy: 1.946358417610868
Energy: 1.903972391721287
Energy: 2.202530446487165
Energy: 1.9305755026641984
Energy: 1.9058007772729637
Energy: 1.900947890054825
Energy: 1.900407448860998
Energy: 1.919199194763211
Energy: 1.8436771489091084
Energy: 1.9055741104874335
Energy: 1.900015651827592
Energy: 1.9018912840005588
Energy: 1.8857312794973105
Energy: 1.8436678632233385
Energy: 1.8418728351403617
Energy: 1.9025172600242797
Energy: 1.884360054016176
Energy: 1.844793768522837
Energy: 1.8474204137709607
Energy: 1.8437285319880259
Energy: 1.9076719163257223
Energy: 1.8858905456634296
Energy: 1.8435421102364762
Energy: 1.8504840081898213
Energy: 1.842446723230627
Energy: 2.059634273920052
Energy: 2.1996178791293555
Energy: 2.1980063327864534
Energy: 1.8446476134243517
Energy: 1.8450894628916361
Energy: 2.0599480880894623
Energy: 2.201760019633296
Energy: 2.194545337361989
Energy: 1.8445399348631772
Energy: 2.247499771541552
Energy: 1.9137645248205155
Energy: 1.8782023083011756
Energy: 1.8589610252693316
Energy: 1.8453960377295515
Energy: 2.2489701267783664
Energy: 2.057414726737647
Energy: 1.878999758950551
Energy: 1.8606146554862983
Energy: 1.9547885144917834
Energy: 1.894924980561212
Energy: 1.902158004010798
Energy: 1.9275709738536406
Energy: 1.8498129432370707
Energy: 1.8942011687353395
Energy: 1.8944435887115447
Energy: 1.9013348882262018
Energy: 1.911743839727594
Energy: 1.8512925944244938
Energy: 1.8928363252446625
Energy: 1.8172293184999198
Energy: 1.9007372832841767
Energy: 1.9042197608794602
Energy: 1.904513833685423
Energy: 2.1345843321292777
Energy: 1.9017672217547168
Energy: 1.9045015939496956
Energy: 1.9049254292204922
Energy: 1.9028503201113989
Energy: 2.112913661556737
Energy: 1.8939741051805725
Energy: 2.0567289504310318
Energy: 1.9557977771947401
Energy: 1.9037774989573581
Energy: 2.1424974292473116
Energy: 1.8921081036173004
Energy: 2.0600701593506248
Energy: 2.055385571848125
Energy: 1.9047231356754797
Energy: 1.8500955226171598
Energy: 1.8934514242830225
Energy: 2.0083255410346834
Energy: 2.0400614518503843
Energy: 1.9366879510790163
Energy: 1.8939745984158392
Energy: 1.8938071083033674
Energy: 2.0077925035727673
Energy: 2.0411562964724648
Energy: 1.936998194955235
Energy: 1.892921367895509
Energy: 1.8930153505292315
Energy: 1.9999127655708526
Energy: 2.0674594199316316
Energy: 2.0476139870940644
Energy: 2.008116926680218
Energy: 1.892524672000888
Energy: 1.9983987173287914
Energy: 1.9736125152640138
Energy: 2.049287578343138
Energy: 2.012538477336766
Energy: 1.790075904938008
Energy: 2.0172273621684935
Energy: 1.9730732574936762
Energy: 1.821480989193214
Energy: 1.819558160318003
Energy: 1.9522939004775732
Energy: 2.025231248443777
Energy: 1.9728290128141575
Energy: 1.81968810623241
Energy: 1.82071284647361
Energy: 1.835830098741856
Energy: 1.8836438885979971
Energy: 1.8203965297282867
Energy: 1.8583819297886566
Energy: 1.8194503206438468
Energy: 1.8369768236658286
Energy: 1.883036194896715
Energy: 1.820424458165636
Energy: 1.8337707264270509
Energy: 1.8187795313366344
Energy: 1.8387149346957543
Energy: 1.8183304551873403
Energy: 1.816880673890692
Energy: 1.861221502256516
Energy: 1.8370183661505612
Energy: 2.150803394233054
Energy: 1.8200147897244772
Energy: 1.8181146424452754
Energy: 1.8185609256644875
Energy: 1.8375321457193898
Energy: 2.227765435031067
Energy: 1.8183134616525365
Energy: 1.8189251957612917
Energy: 2.1193029665544887
Energy: 1.81700990753807
Energy: 2.1883227274588015
Energy: 1.8185810909355424
Energy: 1.9064588263516558
Energy: 2.1203596783966123
Energy: 1.9059832125013292
Energy: 1.8926475565722933
Energy: 1.891939203737354
Energy: 2.133185070576501
Energy: 2.139205476427515
Energy: 2.0546092714648605
Energy: 1.8925721358521959
Energy: 1.8923192343159942
Energy: 2.1327455769284716
Energy: 2.13903237416396
Energy: 2.0050246074031897
Energy: 2.015011239202408
Energy: 1.8919197628999223
Energy: 1.8830402271145794
Energy: 2.0564205358440546
Energy: 2.115567476943001
Energy: 1.8933292726241624
Energy: 1.8925012682273616
Energy: 1.876428028318647
Energy: 2.056657276660809
Energy: 2.0514382099798962
Energy: 1.9496134613241367
Energy: 2.0701263394352494
Energy: 2.1857338242918023
Energy: 2.0630253804954313
Energy: 2.0669898844010217
Energy: 1.9506953019279951
Energy: 2.0697147724947533
Energy: 2.1848137122414357
Energy: 2.0530174209769627
Energy: 1.9547151503205296
Energy: 1.8995852095914358
Energy: 1.838659605594483
Energy: 1.880873070025981
Energy: 1.9050116892261526
Energy: 1.9044667979171361
Energy: 1.900536073179169
Energy: 1.931639518188053
Energy: 1.8814290656504211
Energy: 1.907492245785938
Energy: 1.900941451844385
Energy: 1.906550485695687
Energy: 1.877022097955024
Energy: 1.8429363393694438
Energy: 1.844548308911255
Energy: 1.9067159028819487
Energy: 1.8879574914352497
Energy: 1.8747933300233064
Energy: 1.8424422320241733
Energy: 1.8429009755074137
Energy: 1.9040775759661717
Energy: 1.9709842481269149
Energy: 2.2037035586653495
Energy: 1.8443477571894975
Energy: 1.8429101553131506
Energy: 2.297785968133162
Energy: 2.059777096838241
Energy: 2.2033819193581845
Energy: 1.8448870126019306
Energy: 1.8428584014805791
Energy: 2.2292896630851393
Energy: 2.1033448516543745
Energy: 1.8449044062199562
Energy: 1.8456680728544215
Energy: 2.138871651975951
Energy: 2.018199888393816
Energy: 1.922322231894747
Energy: 1.8439659113232065
Energy: 1.8448063926103155
Energy: 2.140641661077113
Energy: 1.955032277548257
Energy: 1.9034835454997088
Energy: 1.8433558471382048
Energy: 1.8445226575653475
Energy: 2.0244246461720223
Energy: 1.9286564750290067
Energy: 1.9068686443055742
Energy: 1.8464231825016355
Energy: 1.8439965995855754
Energy: 1.9305981837524895
Energy: 1.9031582309561879
Energy: 1.9040530231724573
Energy: 1.9088314392429884
Energy: 1.9111059852121242
Energy: 1.963738433622954
Energy: 1.9010454528920997
Energy: 1.907626771019958
Energy: 1.9076533075632915
Energy: 1.9096390085047983
Energy: 1.8117845095780554
Energy: 1.8999904406944739
Energy: 2.06546927465641
Energy: 1.9028185307126766
Energy: 1.9048257324617948
Energy: 2.0291238243792815
Energy: 2.039401045305594
Energy: 2.0606581161550372
Energy: 1.9011520035750236
Energy: 1.9005923272818692
Energy: 2.034975936167206
Energy: 2.0397983567486633
Energy: 1.960284523525373
Energy: 2.057039770706783
Energy: 1.9339453771382673
Energy: 1.8930724879373022
Energy: 1.8896700662952948
Energy: 1.9601439817622843
Energy: 2.0573647588683284
Energy: 1.965812673842803
Energy: 1.9064530902589916
Energy: 2.0131497092384216
Energy: 1.99892403026625
Energy: 2.118560057802865
Energy: 2.0455013036486274
Energy: 1.8927077271807116
Energy: 1.8919068687879277
Energy: 2.03913526017836
Energy: 2.058592267611258
Energy: 2.050508708634448
Energy: 1.8923258589023264
Energy: 1.891959529579208
Energy: 1.7908844165083344
Energy: 2.1199671089615
Energy: 1.8189736138639447
Energy: 1.8168602351986756
Energy: 2.0093013240441535
Energy: 1.7907973193591742
Energy: 2.119365453769932
Energy: 1.8186233693714053
Energy: 1.817352004223123
Energy: 2.012558710946658
Energy: 1.8230130759489322
Energy: 1.819338178899123
Energy: 1.816963175425588
Energy: 1.818865746270725
Energy: 2.1053652101415543
Energy: 1.8188301242086784
Energy: 1.819292390799507
Energy: 1.8167190259910233
Energy: 1.8191460380444728
Energy: 1.840784514742846
Energy: 1.817742614587411
Energy: 1.8574661249106088
Energy: 1.8192590461886127
Energy: 1.8892019899621897
Energy: 1.8195746750561332
Energy: 1.8246792788607036
Energy: 1.8612177396382927
Energy: 1.8207353936319022
Energy: 1.8884754464567428
Energy: 1.8188738679924854
Energy: 1.8200042902242615
Energy: 1.823870846968781
Energy: 1.8195812809846756
Energy: 2.1940738595573723
Energy: 2.0452979438337318
Energy: 1.8205279623202806
Energy: 2.0159270225138983
Energy: 1.8183040045083367
Energy: 2.1916436378977835
Energy: 1.9845210355825573
Energy: 1.8935066642339338
Energy: 2.153676921314483
Energy: 2.1191785017008766
Energy: 1.9986153447302695
Energy: 1.8923317672496855
Energy: 2.050940961101945
Energy: 2.1489209368416153
Energy: 2.1102944546024918
Energy: 1.9308928846822229
Energy: 1.8925417428790396
Energy: 1.8928061327666166
Energy: 1.9352002898462755
Energy: 2.053389201968058
Energy: 2.0054704194870037
Energy: 1.8951733117339324
Energy: 1.8925429488111247
Energy: 2.0376473952944245
Energy: 2.061067627988532
Energy: 2.0083963074321085
Energy: 1.8965293239129717
Energy: 2.079828422821815
Energy: 1.9031898454789098
Energy: 2.057750544804131
Energy: 2.058478654226972
Energy: 1.8937913048534016
Energy: 2.203901956302548
Energy: 1.9031090398587784
Energy: 2.0554820123650495
Energy: 2.056065743205338
Energy: 1.8420404900642104

minimum gb energy = 1.790075904938008 eV
minimum distance =  2.46666296669688 Angstroms
sigma value = 293


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

Energy: 2.466150672195573
Energy: 1.7801191686065716
Energy: 1.9531734493409978
Energy: 1.880842133310952
Energy: 1.7779108272916708
Energy: 2.1080093148519934
Energy: 1.8822905186457393
Energy: 1.952672046518264
Energy: 1.8824095591065955
Energy: 1.7772001640747093
Energy: 1.9817686037122868
Energy: 1.8591025885958201
Energy: 1.883424608266719
Energy: 1.8804078767940615
Energy: 1.8811053936485256
Energy: 1.9360053186525898
Energy: 1.859455554812701
Energy: 1.8807542418121992
Energy: 1.880487670182444
Energy: 1.8455933745965407
Energy: 1.8594661716903398
Energy: 1.8598261158864404
Energy: 1.8924011923656376
Energy: 2.01589019423537
Energy: 1.9400042572561134
Energy: 1.8594666891715939
Energy: 1.858327967618629
Energy: 1.8930715665344007
Energy: 1.8437226037699084
Energy: 1.9400935729042559
Energy: 2.207748642212601
Energy: 1.8421023155651564
Energy: 2.031681187278486
Energy: 1.8668359132543424
Energy: 2.1086208372225053
Energy: 2.0589246248491833
Energy: 1.8423859708038128
Energy: 2.031058807147184
Energy: 1.8682175696240657
Energy: 2.110097703824109
Energy: 1.8578637966009859
Energy: 2.0321954457671483
Energy: 2.1466665448151128
Energy: 1.9294344534759995
Energy: 1.8588580554076817
Energy: 1.8585770946752866
Energy: 2.032100754591486
Energy: 2.1454477685579776
Energy: 1.9303028969060707
Energy: 1.8580415906007652
Energy: 1.85803285967765
Energy: 2.0158722836328336
Energy: 1.8800480259637096
Energy: 1.8796496551203687
Energy: 1.8640159386432493
Energy: 1.8589707137386537
Energy: 2.0172142697062774
Energy: 1.8798139844142612
Energy: 1.8794121388967495
Energy: 1.8638103974643625
Energy: 1.956914809346486
Energy: 2.039432574824793
Energy: 1.8805226189067803
Energy: 1.8796278736671694
Energy: 1.8802510808286506
Energy: 2.118358706516625
Energy: 2.03746665898888
Energy: 1.8825482438747532
Energy: 1.8787824455543294
Energy: 1.879545390591962
Energy: 1.8818317269093114
Energy: 1.7878252573006443
Energy: 2.002384304551304
Energy: 1.9522794059022706
Energy: 2.0432251457520807
Energy: 1.8797394711270667
Energy: 1.7876293523292428
Energy: 2.041642819998985
Energy: 1.9584554242493726
Energy: 1.8799254568135104
Energy: 1.9570710932710444
Energy: 1.9335128866901927
Energy: 1.9336364191880495
Energy: 2.0443532006880143
Energy: 2.0036575034362722
Energy: 1.954124992954443
Energy: 1.933503087059875
Energy: 1.934219361985126
Energy: 1.9524444129245255
Energy: 2.0034977834619014
Energy: 1.8700404767853873
Energy: 2.001138407133734
Energy: 1.9350000766861066
Energy: 2.0490832390248372
Energy: 2.1158678317336315
Energy: 2.141449979903616
Energy: 1.9997792518573183
Energy: 1.860720161445899
Energy: 2.045460759263152
Energy: 2.124892486375197
Energy: 1.8801999927629711
Energy: 1.8988146223202298
Energy: 2.1057183586437462
Energy: 2.1035800523927763
Energy: 1.9546027961424346
Energy: 1.8794022402410984
Energy: 1.897680589544214
Energy: 2.1070513279534864
Energy: 2.019706248351862
Energy: 1.9538563595495257
Energy: 1.80448159633136
Energy: 1.880819742815605
Energy: 1.918077543799899
Energy: 1.859914289489242
Energy: 1.8901129146539453
Energy: 1.8055701029075295
Energy: 1.881081424708495
Energy: 1.921370410429206
Energy: 1.8590493937362578
Energy: 1.8924220558766751
Energy: 1.9186529277381428
Energy: 1.8490027055222156
Energy: 2.1074968874185265
Energy: 1.8583668241935423
Energy: 1.8585011698191087
Energy: 1.9207055190877884
Energy: 1.9399690584126692
Energy: 2.079773325755124
Energy: 1.85778249703594
Energy: 1.8590877266933135
Energy: 1.984574583509556
Energy: 1.8616638339453007
Energy: 2.1074383121668663
Energy: 1.8593955571649161
Energy: 2.099586597205359
Energy: 1.9860437834776712
Energy: 2.0235439488652345
Energy: 2.107293487861192
Energy: 1.8609417065543032
Energy: 2.132709051605278
Energy: 2.145490521094924
Energy: 1.9200206807614864
Energy: 1.8577006703937204
Energy: 1.8584373437159534
Energy: 1.924230164225322
Energy: 2.1342554325804968
Energy: 1.9193283187435053
Energy: 1.8582869382086211
Energy: 1.8584349421601898
Energy: 1.9231840971434637
Energy: 1.8797007615656858
Energy: 1.8765060338484487
Energy: 1.8589199644694823
Energy: 1.9349621274840902
Energy: 1.915471116698026
Energy: 1.8798545082637632
Energy: 1.8772655052153504
Energy: 1.8583487867018162
Energy: 1.9346541180720542
Energy: 1.972490621944561
Energy: 1.88057404273504
Energy: 1.88103762725644
Energy: 1.8788745436942305
Energy: 2.1146623977173364
Energy: 2.036890878985886
Energy: 1.880303761722165
Energy: 1.8808758859747758
Energy: 1.8802559787261572
Energy: 2.1209521158920053
Energy: 2.0372451715859503
Energy: 2.0421358298141596
Energy: 1.9557992842138545
Energy: 1.8790613379323728
Energy: 2.0415245527401145
Energy: 1.9347916568134709
Energy: 1.9537318334305158
Energy: 1.9534269874892254
Energy: 1.8796864715571278
Energy: 1.8970381188782288
Energy: 1.9357903239324026
Energy: 1.9360272830943386
Energy: 1.9503286854291293
Energy: 2.003188748704734
Energy: 2.0006841195871354
Energy: 1.933045147894765
Energy: 2.002281169780023
Energy: 1.9502315851172625
Energy: 2.006110846789945
Energy: 2.0011206776396144
Energy: 1.9328196043256851
Energy: 1.9834646183519176
Energy: 1.8807436601381786
Energy: 2.1385019409086126
Energy: 2.1284483243644594
Energy: 1.93441641906617
Energy: 2.0762815076212746
Energy: 1.8789195528683456
Energy: 2.1347836911782654
Energy: 2.128328572920424
Energy: 1.934582678385756
Energy: 2.1032666192974308
Energy: 2.112810398541038
Energy: 1.8791325663107818
Energy: 1.8661729702065544
Energy: 1.7794240928152525
Energy: 2.1042781072890544
Energy: 2.130693357049022
Energy: 1.8799371363671182
Energy: 1.8664802678167598
Energy: 1.7769768336818441
Energy: 1.9354730451944986
Energy: 1.8589192518747955
Energy: 1.9279696594007871
Energy: 1.8793848734881253
Energy: 1.8464422255686086
Energy: 1.8607954332435157
Energy: 1.8591793728903971
Energy: 1.8827920395523698
Energy: 1.8794535638687324
Energy: 1.8018898728970814
Energy: 1.8848276085750788
Energy: 1.8578457079582735
Energy: 1.8928671897597813
Energy: 2.062321559254091
Energy: 2.1045906728960055
Energy: 1.8598412037227374
Energy: 1.8581691596238972
Energy: 1.8915477571102615
Energy: 2.060038330155543
Energy: 2.107854728877419
Energy: 1.9187403280895967
Energy: 2.144234485467523
Energy: 2.285545904059999
Energy: 1.9882603747229348
Energy: 2.106591282292079
Energy: 1.919024149041559
Energy: 2.144100239756839
Energy: 2.034213694615561
Energy: 1.8679036125971744
Energy: 2.107416298557327
Energy: 1.8578718973305637
Energy: 2.0331432619122167
Energy: 2.13553489668139
Energy: 1.9545278915262088
Energy: 1.859786187439349
Energy: 1.858088554989371
Energy: 2.0339491940603582
Energy: 1.8404395302830683
Energy: 1.9302200847871194
Energy: 1.8585448301006795
Energy: 1.859094018454833
Energy: 2.0161516271479405
Energy: 1.879879920229187
Energy: 1.8777512477319762
Energy: 1.928981058165022
Energy: 1.8591768595355849
Energy: 1.9917313858243386
Energy: 1.8801907592252212
Energy: 1.8788822443066822
Energy: 1.8646264267119668
Energy: 1.955355856045963
Energy: 2.120413227683608
Energy: 1.879992218397378
Energy: 1.8810417330974938
Energy: 1.9522335098996757
Energy: 1.9596132468369922
Energy: 2.1209206307590516
Energy: 1.8798414281917557
Energy: 1.880212147550865
Energy: 2.1196826725239806
Energy: 2.112855865061829
Energy: 1.934638401037022
Energy: 1.9350597549225723
Energy: 1.9526577645468035
Energy: 1.9525926234332949
Energy: 1.8815823393319113
Energy: 1.9348326323973954
Energy: 2.0005994496912036
Energy: 1.9535960837218629
Energy: 1.8792676366537688
Energy: 2.1274492542319714
Energy: 1.933783447606927
Energy: 1.9341098151660105
Energy: 2.1274860857910363
Energy: 1.9993658779853045
Energy: 2.1409361650875773
Energy: 1.9333575268701562
Energy: 1.934265411302204
Energy: 1.9524893888942816
Energy: 2.0561333449872685
Energy: 2.1367927587722533
Energy: 2.041706038306262
Energy: 1.860412596110419
Energy: 1.7777513909619584
Energy: 2.0793346093043636
Energy: 2.1386393652123874
Energy: 2.043072399958052
Energy: 1.922172865850177
Energy: 1.7780741374178386
Energy: 2.084029422960074
Energy: 1.8808043878578404
Energy: 1.907691679373509
Energy: 2.0215561502334647
Energy: 2.1047621368698697
Energy: 1.880157644872545
Energy: 1.8801772242280201
Energy: 1.8952210263404026
Energy: 2.102498957262313
Energy: 2.0188606131811953
Energy: 1.880056278865739
Energy: 1.8792032068693711
Energy: 1.881062913508045
Energy: 1.9253331271668326
Energy: 1.8594076013011085
Energy: 1.8919606531008752
Energy: 1.8796212779282138
Energy: 1.8809893183069986
Energy: 1.9791379796405233
Energy: 1.8587917795005777
Energy: 1.8919373358839482
Energy: 1.9810148264171863
Energy: 2.1051277041008936
Energy: 2.105721264837088
Energy: 1.8583483595953756
Energy: 1.858593417071778
Energy: 1.9794414774197868
Energy: 2.1055320892836047
Energy: 2.10706646803336
Energy: 1.8579886143201447
Energy: 1.8594072246258848
Energy: 2.032109370382907
Energy: 1.8624846642782436
Energy: 1.8601846452303918
Energy: 1.858584109907958
Energy: 2.138631653657927
Energy: 1.9850060777815208
Energy: 1.861658387842875
Energy: 1.8603151043437491
Energy: 1.9881794454816655
Energy: 1.9225570152400875
Energy: 1.8808513233404962
Energy: 1.929691434832335
Energy: 1.8600293735290507
Energy: 1.8579321259765145
Energy: 2.0308936378108293
Energy: 1.8809280343313677
Energy: 1.8910033563693027
Energy: 1.8572875155475728
Energy: 1.8583755335398
Energy: 2.0943604717353126
Energy: 1.8792006598622202
Energy: 1.8791836742043135
Energy: 1.8640403761481321
Energy: 1.9352067676454694
Energy: 1.97343556331076
Energy: 1.8791333826599939
Energy: 1.8783473846068643
Energy: 1.8593523760798012
Energy: 1.9354452855316782
Energy: 1.8808532687807271
Energy: 1.8796625100901352
Energy: 1.961062408510717
Energy: 1.8793929383436792
Energy: 2.1233354473593633
Energy: 2.1215537018301984
Energy: 1.879296254663531
Energy: 1.9547858190666603
Energy: 1.8794068880946557
Energy: 2.035342528987792
Energy: 2.0394585725451555
Energy: 2.0021332524001303
Energy: 1.9535246828511614
Energy: 1.8804458910102426
Energy: 1.9949647023869537
Energy: 1.9348417568304632
Energy: 1.9523328233115043
Energy: 1.958324982767939
Energy: 1.8795520185500882
Energy: 2.0148053523437364
Energy: 1.9342506753584547
Energy: 1.9355847067962473
Energy: 1.95132627127335
Energy: 2.002898130170799
Energy: 2.000532124399786
Energy: 1.9371741683261656
Energy: 1.9365675602957602
Energy: 2.0018096384590605
Energy: 2.0027761341499906
Energy: 1.9997099996406937
Energy: 1.9370747194746054
Energy: 2.0818827497551524
Energy: 1.8794687058340918
Energy: 2.106350086749385
Energy: 2.128354838252171
Energy: 1.9366865768742385
Energy: 2.079560629415243
Energy: 2.1111400135991762
Energy: 2.140844136819971
Energy: 2.1280175475345637
Energy: 1.861986478162603

minimum gb energy = 1.7769768336818441 eV
minimum distance =  2.46239397040011 Angstroms
sigma value = 293


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

Energy: 1.7297181254932545
Energy: 1.732901172902886
Energy: 1.92990985414915
Energy: 1.8840537179620873
Energy: 1.7326223699261014
Energy: 1.7295508978852219
Energy: 1.8895539027324189
Energy: 1.928087819421735
Energy: 2.0753700192835294
Energy: 1.7319433092823584
Energy: 1.7325173126119553
Energy: 1.974230582543969
Energy: 1.8917752460647848
Energy: 2.074314119899105
Energy: 1.9998354479481688
Energy: 1.964090120508459
Energy: 1.9733169738847578
Energy: 1.8332156823830064
Energy: 2.074359983735278
Energy: 1.998165275021487
Energy: 1.8875562597054947
Energy: 1.8877743948669445
Energy: 1.9734736136446445
Energy: 1.931425225922659
Energy: 1.9647270581480436
Energy: 1.886681400239171
Energy: 1.8871134649381822
Energy: 1.9733568792972425
Energy: 1.9280747152073463
Energy: 1.9558474720427799
Energy: 1.9301914284902844
Energy: 1.7335171017488493
Energy: 1.7325182180800363
Energy: 1.8917137005077969
Energy: 1.9551770138184754
Energy: 1.9296921610530775
Energy: 1.7336782985744321
Energy: 1.7322080793833876
Energy: 1.8891283262936007
Energy: 1.7325045605848735
Energy: 2.073675742052416
Energy: 1.7331820929216264
Energy: 1.7339166612183756
Energy: 1.845367788669058
Energy: 1.7733756258350561
Energy: 2.074052378769408
Energy: 1.7332331177376086
Energy: 1.7329655766240872
Energy: 1.7764141643981066
Energy: 1.8927816478615447
Energy: 2.0742175110111063
Energy: 1.9308519531876356
Energy: 1.8889286538339203
Energy: 1.97237013953274
Energy: 1.8338547289780027
Energy: 2.0743812093303604
Energy: 1.9271234725646804
Energy: 1.8892059063895248
Energy: 1.9700325235123881
Energy: 1.806328681763166
Energy: 1.8873619620112188
Energy: 1.7339215780014208
Energy: 1.896515286404152
Energy: 1.891804294170488
Energy: 1.774582802133536
Energy: 1.8905188548173841
Energy: 1.7328259908494144
Energy: 1.9097519023147818
Energy: 1.8946554625566474
Energy: 1.7734895533445614
Energy: 1.8910830899914728
Energy: 1.9653723747218297
Energy: 1.773220330828451
Energy: 1.7335502781211956
Energy: 1.7331663503673813
Energy: 1.8958421455155756
Energy: 1.9600560899203923
Energy: 1.773137062799276
Energy: 1.7331540759663573
Energy: 1.7329499901648486
Energy: 1.7730286744693422
Energy: 1.8336183053052022
Energy: 2.0740816488272134
Energy: 1.732373840102194
Energy: 1.960826634416546
Energy: 1.7755689347074672
Energy: 2.000230090046926
Energy: 2.0025725353849606
Energy: 1.7325195575976258
Energy: 2.0823471954303723
Energy: 1.9720091643789948
Energy: 1.7766381103906745
Energy: 1.958107736344897
Energy: 1.8879147962510185
Energy: 1.887722058937485
Energy: 1.9718566014185073
Energy: 1.775331624813465
Energy: 1.9577218686160394
Energy: 1.8897490830230785
Energy: 1.888642470932297
Energy: 1.732662907698772
Energy: 1.8963286113909543
Energy: 1.886133655166783
Energy: 1.8884330525647721
Energy: 1.9600735556738613
Energy: 1.7308255350500608
Energy: 1.903220491677436
Energy: 1.8481448752456457
Energy: 1.8892065853144713
Energy: 1.9617305636910023
Energy: 1.7296990517282556
Energy: 1.8901213354613182
Energy: 1.928481149226833
Energy: 2.0760331234919627
Energy: 1.7327231153187392
Energy: 1.7300564183047165
Energy: 1.8883726779589545
Energy: 1.9260852293683306
Energy: 2.0747582981553983
Energy: 1.7320954276105187
Energy: 1.9624019057423443
Energy: 1.974373445140378
Energy: 1.8919792156576765
Energy: 2.0746924530240243
Energy: 2.0034788167333453
Energy: 1.9616642047556367
Energy: 1.9731153662644298
Energy: 1.8336879993833182
Energy: 2.073696986603094
Energy: 2.0020078936124714
Energy: 1.8892765018134217
Energy: 1.8900949734361756
Energy: 1.973051260206736
Energy: 1.9257365935957809
Energy: 1.9617099594739948
Energy: 1.8905415152529832
Energy: 1.8893287307380842
Energy: 1.9730961746018825
Energy: 1.9275459927592826
Energy: 1.9558476057825729
Energy: 1.9291774089529685
Energy: 1.733116134572636
Energy: 1.7326754363219588
Energy: 1.8919986272983635
Energy: 1.956016178065477
Energy: 1.929729494357582
Energy: 1.733887731577601
Energy: 1.7317891823970517
Energy: 1.8906139382055538
Energy: 1.9565161432845768
Energy: 2.0755801350279324
Energy: 1.7333125398965183
Energy: 1.732787029177171
Energy: 1.775191824937684
Energy: 1.7732999923428512
Energy: 2.073327304612689
Energy: 1.7331778624846785
Energy: 1.732624393299871
Energy: 1.7723941470979372
Energy: 1.8936925246586909
Energy: 2.0755639324045534
Energy: 1.9299939866695832
Energy: 1.8899802816903846
Energy: 1.972104241708976
Energy: 1.8339450705711065
Energy: 2.0755274563963813
Energy: 1.927655516660827
Energy: 1.8889926720874979
Energy: 1.9685729344651957
Energy: 1.8056631117893702
Energy: 1.8873626772050824
Energy: 1.7338751159015533
Energy: 1.901058708505915
Energy: 1.8940299013361452
Energy: 1.7736888374406619
Energy: 1.889765205474882
Energy: 1.7326264072665187
Energy: 1.9001987464845915
Energy: 1.8934762496906408
Energy: 1.7714856424173226
Energy: 1.8977214382406704
Energy: 1.963029581049898
Energy: 1.9283749629165612
Energy: 1.7331196118027379
Energy: 1.7327362673398448
Energy: 1.8946553441239664
Energy: 1.9601984242915584
Energy: 1.7732015938269137
Energy: 1.7329684951246376
Energy: 1.7324369240423962
Energy: 1.9729161203331522
Energy: 1.833597867977728
Energy: 2.074101061416631
Energy: 1.732808332649479
Energy: 1.9617239382529696
Energy: 1.9735351414056272
Energy: 2.0099703185372544
Energy: 2.074730893354994
Energy: 1.732976239863251
Energy: 1.970012769223613
Energy: 1.9718020191029755
Energy: 1.776455149185613
Energy: 1.9581392737804604
Energy: 1.8906530684086138
Energy: 1.8878049032002087
Energy: 1.9720943112534477
Energy: 1.7754826123867058
Energy: 1.9600639398886914
Energy: 1.897161010553359
Energy: 1.886096633336603
Energy: 1.7337130504121168
Energy: 1.890698669293327
Energy: 1.8856443310149797
Energy: 1.8868644434880497
Energy: 1.9635899860553927
Energy: 1.7337534875344776
Energy: 1.8868806255344701
Energy: 1.8473107200958487
Energy: 1.8871976633141223
Energy: 1.9622547665531265

minimum gb energy = 1.7295508978852219 eV
minimum distance =  2.47400098717983 Angstroms
sigma value = 15


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

Energy: 2.4523673451647916
Energy: 1.9873943772836298
Energy: 2.127434063982454
Energy: 2.0364514288746776
Energy: 1.9704499684317855
Energy: 2.1830641227933776
Energy: 2.0356875727733934
Energy: 2.107958048862573
Energy: 2.0544853920061845
Energy: 2.065088101937039
Energy: 2.032024101424918
Energy: 2.101892477730247
Energy: 1.9899539033841893
Energy: 1.985883887013701
Energy: 2.0354579639365333
Energy: 2.0840113488093315
Energy: 2.077853476861337
Energy: 1.9854418046237279
Energy: 2.074929274912429
Energy: 2.0789041875221774
Energy: 2.109561041373312
Energy: 2.100406321761866
Energy: 2.0426985768036507
Energy: 2.0357161908360144
Energy: 2.0801712054300685
Energy: 2.0962121035464087
Energy: 2.086691433839603
Energy: 2.068510385639701
Energy: 2.0358105357602314
Energy: 2.0798601897120896
Energy: 2.0807530561510834
Energy: 1.9541197802298262
Energy: 2.190310384716066
Energy: 2.0783142920020716
Energy: 2.0760598617317707
Energy: 2.10097821850069
Energy: 1.9549385397628416
Energy: 2.1702761406520716
Energy: 2.078724162081506
Energy: 2.0778748959307483
Energy: 2.14711173268481
Energy: 2.0849293341853126
Energy: 2.195250729709973
Energy: 2.0393235350828816
Energy: 2.1837002298443693
Energy: 2.1458927397281995
Energy: 2.0805300930304096
Energy: 2.12830354667575
Energy: 2.0480408204958542
Energy: 2.1849739976481204
Energy: 2.1554692276719973
Energy: 1.9325300604636215
Energy: 2.012308890053621
Energy: 2.011824477393861
Energy: 2.1845807458223865
Energy: 2.1476594896009815
Energy: 1.932625739093066
Energy: 2.012847600054353
Energy: 2.062403403780224
Energy: 2.1832258172955803
Energy: 1.9531899372741663
Energy: 1.9353737783095746
Energy: 1.9717527824386096
Energy: 2.013471011026779
Energy: 1.9575679337615286
Energy: 1.9543497499192162
Energy: 1.9311182461854952
Energy: 2.0160521125159905
Energy: 2.0134447905290314
Energy: 1.9529711584791194
Energy: 1.9524944557834127
Energy: 1.9555838249022466
Energy: 1.9330531574798513
Energy: 2.20139406200735
Energy: 2.041431661607208
Energy: 1.9548387899382043
Energy: 1.9497153869990775
Energy: 1.930195923217015
Energy: 2.200699974310405
Energy: 2.0397366847509097
Energy: 2.0671139448983933
Energy: 2.172563761893317
Energy: 2.0756813103806704
Energy: 2.0791078781003165
Energy: 2.046639512328286
Energy: 2.01471162913232
Energy: 2.1601725415555433
Energy: 2.073316053454595
Energy: 2.0784421260125354
Energy: 2.0481892292741932
Energy: 1.9550920745654627
Energy: 2.2957252810936994
Energy: 1.9455048837489872
Energy: 1.9449921506140102
Energy: 1.955005549000102
Energy: 2.01975024786769
Energy: 2.014695999660152
Energy: 1.9471874600504353
Energy: 1.9654615190644542
Energy: 1.9555392722352714
Energy: 2.094197072178109
Energy: 1.9851055380861387
Energy: 1.9795268862404867
Energy: 1.9433561706762321
Energy: 1.955382182482349
Energy: 2.156005252213266
Energy: 1.984706444339667
Energy: 1.9822077894687293
Energy: 1.9429909281553968
Energy: 1.9573958032294958
Energy: 2.136645590729622
Energy: 2.0105507667493483
Energy: 1.984846557476438
Energy: 1.9433145144634587
Energy: 2.017226352656583
Energy: 2.085568702583636
Energy: 1.986245913004406
Energy: 1.9839980986023211
Energy: 2.106033905430158
Energy: 2.0683158542824467
Energy: 2.0985157158216174
Energy: 2.0362653390814045
Energy: 2.1751874614816638
Energy: 2.174260409562857
Energy: 2.017881995777312
Energy: 2.0966988794596038
Energy: 2.037679911085921
Energy: 2.175473807670416
Energy: 2.0581217227537163
Energy: 2.021587162510207
Energy: 1.9855018107274829
Energy: 2.03661390634249
Energy: 2.035788224592467
Energy: 2.076926454974556
Energy: 2.0437137008748447
Energy: 1.9850635259753129
Energy: 2.0365169586662413
Energy: 2.00074800851655
Energy: 2.07750491182366
Energy: 2.0364256064886215
Energy: 2.0128287492548633
Energy: 2.044255095645116
Energy: 2.0850138097511617
Energy: 2.0798113382733114
Energy: 2.0641149849437417
Energy: 1.9840458750453907
Energy: 2.0460363876435457
Energy: 2.093499262171366
Energy: 2.075749134243065
Energy: 2.0484407644403335
Energy: 2.0894309148340735
Energy: 2.083841050426572
Energy: 2.087127419130658
Energy: 2.1276106834169926
Energy: 1.953431574419385
Energy: 2.090139387531138
Energy: 2.0829379749011117
Energy: 2.0874164813567293
Energy: 2.108841574965613
Energy: 1.9909432530755613
Energy: 2.150218865452838
Energy: 2.0281554795718897
Energy: 2.152247553389165
Energy: 2.1500535632475666
Energy: 2.1956607570257924
Energy: 2.08441097278765
Energy: 2.026972653780794
Energy: 2.1516336656342308
Energy: 2.1661667284524206
Energy: 2.1965649461114265
Energy: 2.0254918595055837
Energy: 2.2079522605298214
Energy: 2.1841187739272283
Energy: 2.1582652405408997
Energy: 1.9797316156255709
Energy: 2.0257474004489557
Energy: 2.184912096585048
Energy: 2.18411734639061
Energy: 2.0228919586337346
Energy: 2.026385450483686
Energy: 2.0242613044740536
Energy: 2.0255382187735744
Energy: 1.9652883903804623
Energy: 1.9653589062492658
Energy: 1.9365866970925572
Energy: 2.0245279572173924
Energy: 2.167798807891985
Energy: 1.9662870663766439
Energy: 1.938630593517673
Energy: 1.939118001085703
Energy: 2.1142574825098284
Energy: 2.0790668745260454
Energy: 1.9679186275011613
Energy: 1.9648233675742663
Energy: 1.93802191279305
Energy: 2.084716510071659
Energy: 2.079516322105979
Energy: 1.9673291026573014
Energy: 1.965461454390149
Energy: 1.9386462197559786
Energy: 2.0690974669113955
Energy: 2.1611994487734623
Energy: 2.0070675991688427
Energy: 2.016309844817721
Energy: 2.0355989798007657
Energy: 2.0700043733475932
Energy: 2.1295365342471295
Energy: 2.007762498722837
Energy: 2.1750892371983936
Energy: 2.0638926119675722
Energy: 1.9525467335959072
Energy: 1.9608280834888636
Energy: 1.963243297488699
Energy: 2.190802864585311
Energy: 1.9397702064957525
Energy: 1.9510381561355183
Energy: 1.9608765248859592
Energy: 1.96440217591846
Energy: 2.1725844414744335
Energy: 1.9275875676927388
Energy: 1.9593581937912712
Energy: 1.9747057197226139
Energy: 1.9643584904194573
Energy: 2.0251111254640746
Energy: 1.9734658282614974
Energy: 1.9626136175416193
Energy: 1.969674703364399
Energy: 1.9641019501710504
Energy: 2.030419916640806
Energy: 1.9748920986605123
Energy: 1.9753603728947098
Energy: 2.0143102533384454
Energy: 2.0890863869670597
Energy: 2.0924652498495226
Energy: 1.975125395060951
Energy: 1.9727998792109533
Energy: 2.0140223041691137
Energy: 2.0833768167359987
Energy: 2.0104575097613497
Energy: 1.9753200326461333
Energy: 2.1816700448226283
Energy: 2.0130642365454503
Energy: 2.058501620670309
Energy: 2.108626820502161
Energy: 1.9446383710667545
Energy: 2.1802684829520222
Energy: 2.0128824424433063
Energy: 2.059186303538362
Energy: 2.087548308826339
Energy: 2.051739899881115
Energy: 1.9488328728288655
Energy: 2.0500137260475415
Energy: 1.9854877724871414
Energy: 2.057490105333324
Energy: 2.014378315928372
Energy: 1.9481779111480986
Energy: 2.050259976836122
Energy: 1.985527797447822
Energy: 2.0582161039035856
Energy: 2.014694903862271
Energy: 2.109698950586181
Energy: 2.060090140211683
Energy: 2.056249653913686
Energy: 1.9854623358127175
Energy: 2.0865181575237908
Energy: 2.0597340202071104
Energy: 2.0595755068961124
Energy: 2.056958628158333
Energy: 2.052624536651425
Energy: 2.089258372519377
Energy: 2.119577451297961
Energy: 2.0605434676758136
Energy: 2.037544356071916
Energy: 2.094490459905431
Energy: 2.0926173880716776
Energy: 2.120137737576375
Energy: 2.0604420139950395
Energy: 2.129568077401722
Energy: 2.0944236298979715
Energy: 2.089896766240256
Energy: 2.156095284483498
Energy: 2.0709921925186556
Energy: 2.195318529986869
Energy: 2.095822895645138
Energy: 2.1592836845396266
Energy: 2.155252319052159
Energy: 2.0862032554231495
Energy: 2.194867497612798
Energy: 2.095795545807279
Energy: 2.161214100428721
Energy: 2.1788185563248006
Energy: 1.9393404425632612
Energy: 2.025217079671098
Energy: 2.094725316394926
Energy: 2.183571102492978
Energy: 2.1572746038549013
Energy: 1.9415194803403435
Energy: 2.0251358611761794
Energy: 2.1671122514267704
Energy: 2.1842006383800485
Energy: 1.9667864240548598
Energy: 1.937906533379048
Energy: 2.0258561866963984
Energy: 2.027444708066746
Energy: 1.9586833286738252
Energy: 1.9661820154041652
Energy: 1.9411154171856
Energy: 2.028885401412532
Energy: 2.0276807762361195
Energy: 1.9686065620946258
Energy: 1.9661083089933924
Energy: 1.9576818417422506
Energy: 1.9398526165337093
Energy: 2.202316432514622
Energy: 2.0887480074771014
Energy: 1.9659467167497342
Energy: 1.955417101475663
Energy: 1.9424456469505251
Energy: 2.349637692397055
Energy: 1.9689186607299833
Energy: 2.0768434340859865
Energy: 2.0130931544467425
Energy: 2.0726192672994634
Energy: 2.078214650899541
Energy: 2.101970400418203
Energy: 2.017912800029721
Energy: 2.0109851152094875
Energy: 2.0441594530856375
Energy: 2.078637436985749
Energy: 2.0932645885915226
Energy: 1.9913733994797382
Energy: 2.1754211701213215
Energy: 1.953894533417664
Energy: 1.9467708844400138
Energy: 1.9558708615247573
Energy: 1.9981873370992684
Energy: 2.1726387499586415
Energy: 1.9526637346046036
Energy: 1.959953290808912
Energy: 1.9570463929896607
Energy: 2.0337931756188774
Energy: 1.9888930343356954
Energy: 1.986916801531613
Energy: 1.9424946290705
Energy: 1.9556502527791897
Energy: 2.0750557829941516
Energy: 1.9883613276487466
Energy: 1.9915224568848624
Energy: 1.9460905556317605
Energy: 1.9557035264657352
Energy: 2.136210051476312
Energy: 2.014748704931564
Energy: 1.9874887955433145
Energy: 1.9496261336195304
Energy: 2.037610566440028
Energy: 2.082932237779526
Energy: 1.9866439275584349
Energy: 1.986113596146155
Energy: 1.9441102985049208
Energy: 2.0376326743552773
Energy: 2.0594281227140647
Energy: 2.1100221911326233
Energy: 2.1757885015533684
Energy: 2.15393826905444
Energy: 2.0376141443888205
Energy: 2.0606009786672064
Energy: 2.0493478509044873
Energy: 2.1877475245242626
Energy: 2.056913707134519
Energy: 2.0381423361377924
Energy: 1.9853927531063533
Energy: 2.0154886021183454
Energy: 1.9594921329300414
Energy: 2.0458686186203527
Energy: 2.0132311918324115
Energy: 1.984940799571946
Energy: 2.0162131589387737
Energy: 2.061388466286557
Energy: 2.069552154156396
Energy: 2.0129539569815917
Energy: 2.0607772198629126
Energy: 2.0455193134421132
Energy: 2.0839590458851536
Energy: 2.0751331188674644
Energy: 2.0619388629391815
Energy: 2.0459447098006076
Energy: 2.0452092361519756
Energy: 2.1029827013088616
Energy: 2.0708660654175937
Energy: 2.0660607314694865
Energy: 2.086530901524631
Energy: 2.085894863908312
Energy: 2.0848483092742387
Energy: 2.073640365402072
Energy: 1.9548772712929467
Energy: 2.088402400751303
Energy: 2.0844147957459773
Energy: 2.0850228097702144
Energy: 2.0731944566994454
Energy: 1.956356212136078
Energy: 2.127410143605005
Energy: 2.0887969729369456
Energy: 2.14546041116433
Energy: 2.145195390931829
Energy: 2.1955937446702007
Energy: 2.0788982336249773
Energy: 2.087588148400481
Energy: 2.146104085449838
Energy: 2.145504658558227
Energy: 2.1965171897753533
Energy: 2.0137271207656937
Energy: 2.184589410700153
Energy: 2.183791986976179
Energy: 2.1479141234001116
Energy: 1.9706146277612386
Energy: 2.016071021717581
Energy: 2.1840691606593747
Energy: 2.1839059991339496
Energy: 2.148072247257058
Energy: 2.0118304264578786
Energy: 2.0112792776959543
Energy: 2.0931701439421975
Energy: 1.9537793715046796
Energy: 1.9553111525251388
Energy: 1.931408918778617
Energy: 2.0142756820045706
Energy: 2.156612984891396
Energy: 1.953999600198259
Energy: 1.9352839527475623
Energy: 1.9310424325233035
Energy: 1.9327694774305773
Energy: 2.078434799642374
Energy: 1.9568017060045053
Energy: 1.9524503463234635
Energy: 1.9329336457144315
Energy: 1.9329929542831363
Energy: 2.0782580132031314
Energy: 1.954874205389815
Energy: 1.952988805258213
Energy: 1.9312698301254234
Energy: 2.081248159899481
Energy: 2.1290859483104247
Energy: 2.1016912992281593
Energy: 2.1307117137459
Energy: 2.083445011689247
Energy: 2.0794670789115446
Energy: 2.130530712245054
Energy: 2.1040438194359887
Energy: 2.1260495681406226
Energy: 2.0846681631916515
Energy: 1.9377453825274673
Energy: 1.9455946585471833
Energy: 1.9461220503338745
Energy: 2.173580076333211
Energy: 2.009300337769001
Energy: 1.937533899241595
Energy: 1.9457207984260243
Energy: 1.9501511224510657
Energy: 2.1740962753340805
Energy: 2.0149029783428642
Energy: 1.943893657378723
Energy: 1.947772520681052
Energy: 1.9490619268504132
Energy: 2.0554144590806835
Energy: 1.9919895860886059
Energy: 1.9398768638534734
Energy: 1.9563835454485508
Energy: 1.9468799197713407
Energy: 2.0474187391639775
Energy: 2.002817264387704
Energy: 2.003493038390437
Energy: 1.9432021559091917
Energy: 2.082936977681155
Energy: 2.0901341798572695
Energy: 1.9940093831725656
Energy: 1.9663847298078154
Energy: 2.079487300447498
Energy: 2.083531116702615
Energy: 2.0773327474906673
Energy: 2.0065841328762044
Energy: 2.164057171399564
Energy: 2.0760161219693147
Energy: 2.0751401074029268
Energy: 2.063904303553001
Energy: 1.971502022747476
Energy: 2.169841884435851
Energy: 2.0362648731268034
Energy: 2.034976089829883
Energy: 2.0360306274740245
Energy: 2.116895625511474

minimum gb energy = 1.9275875676927388 eV
minimum distance =  2.47004478460406 Angstroms
sigma value = 437


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

Energy: 2.3655718024631054
Energy: 2.0212484578744165
Energy: 2.2310323022645
Energy: 2.1214834026236993
Energy: 2.020514433427826
Energy: 2.177380418618455
Energy: 2.1194054515639786
Energy: 2.1278519432872987
Energy: 2.1211056452117663
Energy: 2.075255038254092
Energy: 1.9438983988077025
Energy: 1.9868737975846165
Energy: 2.03093922138666
Energy: 2.031494869132207
Energy: 2.1186562975916807
Energy: 1.9739505053109117
Energy: 1.993653001833138
Energy: 2.03115473466436
Energy: 2.110888449050271
Energy: 2.1203939269338683
Energy: 1.9856191732303314
Energy: 1.982671305832353
Energy: 1.9773609388802158
Energy: 1.9726301526965968
Energy: 1.9696030338085138
Energy: 1.9799491320181921
Energy: 1.9876037523709453
Energy: 2.1290920293870577
Energy: 1.967072375228789
Energy: 1.9689511839353682
Energy: 1.9848437008483975
Energy: 1.9818108882420675
Energy: 2.1054771451456147
Energy: 1.9720378714755467
Energy: 1.9697055790933389
Energy: 1.9836209930921265
Energy: 1.9895246656824865
Energy: 2.1047933761841557
Energy: 1.9676193364558623
Energy: 1.9696482517181904
Energy: 1.9860843912319583
Energy: 2.064062385968588
Energy: 2.1400020978218204
Energy: 1.9782932955420123
Energy: 2.017076548456676
Energy: 1.9913729259928743
Energy: 2.063984213388901
Energy: 2.138333750454781
Energy: 1.9786975455121598
Energy: 2.1911073604449736
Energy: 2.019965389002506
Energy: 2.0202386459604167
Energy: 1.9678043897316169
Energy: 1.966101860512773
Energy: 2.187616182249922
Energy: 2.0211529884546136
Energy: 2.014268815323379
Energy: 1.967657101468325
Energy: 1.9675643114998307
Energy: 2.1845415058830593
Energy: 1.9754081515659523
Energy: 1.982323775775087
Energy: 1.9687147243114267
Energy: 1.9667942954360425
Energy: 1.986379173530025
Energy: 1.9754254444682757
Energy: 1.9790790558556204
Energy: 1.9674126783880692
Energy: 1.9663688455373893
Energy: 1.9829024905607069
Energy: 1.98858097034959
Energy: 1.9821075031805928
Energy: 2.0251002838460574
Energy: 2.1365152560781344
Energy: 1.973317635300789
Energy: 1.9861149785266063
Energy: 1.9842543674706568
Energy: 2.0307718566973496
Energy: 2.125850051733071
Energy: 1.9723325896561965
Energy: 1.9977038245548049
Energy: 2.2043985624803173
Energy: 2.104643805092131
Energy: 2.1258716464580454
Energy: 2.0473734299730633
Energy: 1.9689796900606285
Energy: 2.0982645475366724
Energy: 2.109076947922298
Energy: 2.127382011596213
Energy: 2.045385640405659
Energy: 2.0731148972115783
Energy: 2.17804482319467
Energy: 2.0634666711187464
Energy: 2.1216637268749463
Energy: 2.118607113536386
Energy: 1.956455860341715
Energy: 2.1492346686708794
Energy: 2.046147388731403
Energy: 2.1640246996062515
Energy: 2.120644864132424
Energy: 1.9359307839635453
Energy: 1.9351108139539586
Energy: 1.9386338970070838
Energy: 2.198160211246501
Energy: 2.122086552205757
Energy: 1.9366208001103449
Energy: 1.934848065723244
Energy: 1.9334184774709127
Energy: 2.197836099377239
Energy: 1.9376220473178043
Energy: 1.9328422497620115
Energy: 1.938014075293844
Energy: 1.936359797836692
Energy: 1.9391844743375872
Energy: 1.933669994992467
Energy: 1.9539592871202147
Energy: 1.942361093512681
Energy: 1.9335149077494387
Energy: 1.9383074090728933
Energy: 1.9350582670478214
Energy: 1.9358623228553151
Energy: 1.9471269175640316
Energy: 2.112276967445115
Energy: 2.1283759331893037
Energy: 1.9337854154196972
Energy: 1.9355189836551068
Energy: 2.0258307166118703
Energy: 2.1118895335971093
Energy: 2.1301184269467526
Energy: 1.9337826053054936
Energy: 2.0243599606555303
Energy: 2.1191941275996014
Energy: 2.2353758325357624
Energy: 2.0897723233135737
Energy: 2.1679242393727858
Energy: 2.235563373895345
Energy: 2.119113306964434
Energy: 2.2322773004864174
Energy: 2.090392504955129
Energy: 2.0097860989820533

minimum gb energy = 1.9328422497620115 eV
minimum distance =  2.47865024548016 Angstroms
sigma value = 33