Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000005543232
cohesive_energy=4.4278017536966265
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0950862754501e-19, 2.9431023460599597e-19, 3.5815216694099394e-19, 4.0977109373520595e-19, 4.52952958374774e-19, 4.898046231334079e-19, 5.21657496793962e-19, 5.49412002624744e-19, 5.73720226515792e-19, 5.950660258105739e-19, 6.13830718547982e-19, 6.30309105228672e-19, 6.4474792105428e-19, 6.573426315741539e-19, 6.68264669688132e-19, 6.77653424763372e-19, 6.856306622240579e-19, 6.92302125728034e-19, 6.977591393434381e-19, 7.02083414078604e-19, 7.053438435287939e-19, 7.076061169360019e-19, 7.089263104824179e-19, 7.0935569382033e-19, 7.08894266949738e-19, 7.07405844856752e-19, 7.04706177228462e-19, 7.00582174572546e-19, 6.947774886275639e-19, 6.869861036564219e-19, 6.76836314680032e-19, 6.63881114417508e-19, 6.475773649899239e-19, 6.27255356564268e-19, 6.020899681740299e-19, 5.71059011126718e-19, 5.3287593758523e-19, 4.859161404426899e-19, 4.28099994428166e-19, 3.5673904714980596e-19, 2.68314918719346e-19, 1.5815854598998318e-19, 1.9965043471600798e-20, -1.549181437477182e-19, -3.7862638214687997e-19, -6.685706854252259e-19, -1.05045909919893e-18, -1.5634552291094879e-18, -2.2693390061639397e-18, -3.2702828364890998e-18, -4.74696097474788e-18]
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: -0.022546436667 eV

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

Energy: 0.01801028118596324
Energy: 0.01862579810204159
Energy: 0.018439687736190608
Energy: 0.01830754089399727
Energy: 1.3592727959173825
Energy: 0.01844059087746526
Energy: 0.01862579810204159
Energy: 0.15708533365773547
Energy: 0.15685466487711813
Energy: 1.091887021318352
Energy: 0.1549778716330345
Energy: 0.15660595067777466
Energy: 0.018439687736190608
Energy: 0.15685466487741215
Energy: 0.15612915721809767
Energy: 0.01843820128543949
Energy: 0.1550432092112685
Energy: 1.109407175270607
Energy: 0.018307540893703258
Energy: 1.0922950460776752
Energy: 0.01843820128543949
Energy: 0.018306435397426112
Energy: 1.142263458003741
Energy: 0.01849518148012878
Energy: 1.359272795913487
Energy: 0.1549778716333653
Energy: 0.1550432092028524
Energy: 1.1422635680333775
Energy: 0.15481192628989637
Energy: 0.1549781572275638
Energy: 0.01844059087746526
Energy: 0.15660595067909772
Energy: 1.0939238262601063
Energy: 0.01849518148012878
Energy: 0.15497815722789457
Energy: 0.0182359149104458

minimum gb energy = 0.01801028118596324 eV
minimum distance =  2.48669071679949 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.7766508582089606
Energy: 1.1999112265967788
Energy: 1.1862427435186904
Energy: 1.1952489862264408
Energy: 2.602732298139888
Energy: 1.1861266094428768
Energy: 1.8271111564742053
Energy: 1.21594880667311
Energy: 1.151516616438527
Energy: 1.1441619782376642
Energy: 1.2144429539230877
Energy: 1.1598956747289728
Energy: 1.8516336402191613
Energy: 1.1506120828811082
Energy: 1.1034007148331069
Energy: 1.1204438502899965
Energy: 1.2141791223487077
Energy: 1.1215736214200185
Energy: 1.8753074527086906
Energy: 1.135055640905582
Energy: 1.1206722304686243
Energy: 1.1212423089669592
Energy: 1.1525077779141637
Energy: 1.1208368092297658
Energy: 1.7063012760558487
Energy: 1.1812903941175663
Energy: 1.1815896332100875
Energy: 1.1864715439740194
Energy: 1.1809590028525285
Energy: 1.1624326030719976
Energy: 1.6591612945758452
Energy: 1.160319798319965
Energy: 1.1608103861147496
Energy: 1.1629330656762737
Energy: 1.181301376931626
Energy: 1.162992044696164
Energy: 1.655362181356361
Energy: 1.1607640965005444
Energy: 1.1623794749676304
Energy: 1.1625850292177697
Energy: 1.1607636233771486
Energy: 1.1637224427271569
Energy: 1.6271908061030633
Energy: 1.18264693869936
Energy: 1.18179425473528
Energy: 1.1478847882852374
Energy: 1.1799233390168535
Energy: 1.1638187821595007
Energy: 1.3062914492375493
Energy: 1.1641730636836076
Energy: 1.1630608766432693
Energy: 1.1805855626022579
Energy: 1.1603228153371814
Energy: 1.1609879665369007
Energy: 1.3056239469107909
Energy: 1.1868479351543857
Energy: 1.1858058290497366
Energy: 1.1804952235818837
Energy: 1.1885572401188886
Energy: 1.1849689788455824
Energy: 1.4687863515469042
Energy: 1.1333598583753
Energy: 1.1338190716145191
Energy: 1.243741878527714
Energy: 1.1334179678599552
Energy: 1.103194196147065
Energy: 1.2154597465674464
Energy: 1.1208888933352998
Energy: 1.1217543513247448
Energy: 1.2155996288900546
Energy: 1.1093145512825995
Energy: 1.1215356881721963
Energy: 1.2138145522730315
Energy: 1.1609615242091071
Energy: 1.159601347301452
Energy: 1.2139933780833938
Energy: 1.1234696005519262
Energy: 1.1428369272540402
Energy: 1.232525192201764
Energy: 1.1211714881914479
Energy: 1.120674242360201
Energy: 1.1874526010268558
Energy: 1.1212190410398175
Energy: 1.12196547244461
Energy: 1.2302149069469501
Energy: 1.1851768986679685
Energy: 1.1837672440048768
Energy: 1.192191746293224
Energy: 1.1666323166243537
Energy: 1.173468735439181
Energy: 1.2314228312274982
Energy: 1.1214552957425703
Energy: 1.121111776495059
Energy: 1.192927228778934
Energy: 1.121091608001611
Energy: 1.1212332791902369
Energy: 1.4505818914597248
Energy: 1.1610204282837526
Energy: 1.1606380174616127
Energy: 1.1213032094708049
Energy: 1.1612534450360457
Energy: 1.1213282841634071
Energy: 1.4520815846050357
Energy: 1.1636688542201257
Energy: 1.1834524802275537
Energy: 1.183066946626336
Energy: 1.160312350891404
Energy: 1.182629075700826
Energy: 1.4513885284832522
Energy: 1.1833050466340664
Energy: 1.1822632208278367
Energy: 1.1825885380509664
Energy: 1.1856607110475075
Energy: 1.183420070201583
Energy: 1.6985394142294408
Energy: 1.1839182866250926
Energy: 1.1833568542199726
Energy: 1.1856420854158165
Energy: 1.186089488623543
Energy: 1.1829811150224394
Energy: 1.7663725714364398
Energy: 1.1217458069489612
Energy: 1.1335287900768087
Energy: 1.1336143903333658
Energy: 1.1603202558019856
Energy: 1.133935075183168
Energy: 1.7637404762351494
Energy: 1.1430363969771697
Energy: 1.121679742194763
Energy: 1.1335219321508463
Energy: 1.194819598945203
Energy: 1.12139431805662
Energy: 1.8275826829978892
Energy: 1.191826346158222
Energy: 1.1627012377910795
Energy: 1.1337355932551658
Energy: 1.1915427229159525
Energy: 1.1836031089943693

minimum gb energy = 1.103194196147065 eV
minimum distance =  2.28130131241219 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.0743503848240885
Energy: 1.9996859981050332
Energy: 1.2134731445769775
Energy: 1.2288572414412098
Energy: 2.1947948979406413
Energy: 1.2133454225814182
Energy: 1.2696685486945287
Energy: 1.2381039888110232
Energy: 1.1894956773502319
Energy: 1.190674806887048
Energy: 1.23829352800658
Energy: 1.1596913260188666
Energy: 1.726979301370049
Energy: 1.2186871520353622
Energy: 1.2181404206149198
Energy: 1.1579685382852303
Energy: 1.2207686195537184
Energy: 1.1928398155273408
Energy: 1.7251885792088077
Energy: 1.2101782801665482
Energy: 1.1933677403711735
Energy: 1.157912039048603
Energy: 1.2301081162646479
Energy: 1.1573367759512316
Energy: 1.5772298316047093
Energy: 1.2372801851876472
Energy: 1.2386011174589084
Energy: 1.2264376418932943
Energy: 1.2374518528933969
Energy: 1.198095575469659
Energy: 1.706297739216683
Energy: 1.1854766282444245
Energy: 1.1843122242587303
Energy: 1.1984022238423124
Energy: 1.2384157267664164
Energy: 1.1857411892744127
Energy: 1.7060757776710886
Energy: 1.1844417832915461
Energy: 1.186494320232385
Energy: 1.1984430856425845
Energy: 1.1849308608005682
Energy: 1.1985270235394603
Energy: 1.6007325693691898
Energy: 1.2184821543689432
Energy: 1.2184170340033196
Energy: 1.251885129547557
Energy: 1.2187242291152147
Energy: 1.2208976172519854
Energy: 1.3405606018147118
Energy: 1.2155107237102354
Energy: 1.2045318516811947
Energy: 1.244593055582631
Energy: 1.2167518568462834
Energy: 1.2459610091747015
Energy: 1.3407602057522874
Energy: 1.2314492698330393
Energy: 1.220946904016616
Energy: 1.2323068985117502
Energy: 1.2328573496579986
Energy: 1.209563574999569
Energy: 1.418433759628645
Energy: 1.0843825125262352
Energy: 1.0842262989801879
Energy: 1.190441379091403
Energy: 1.0846694462177713
Energy: 1.0843088938543357
Energy: 1.2453831958797605
Energy: 1.0937041344523564
Energy: 1.1452683343941537
Energy: 1.2269600430111927
Energy: 1.0920474717487652
Energy: 1.1217853861198013
Energy: 1.2449036057419096
Energy: 1.2237936355042036
Energy: 1.1728230829326194
Energy: 1.233498044475844
Energy: 1.1941736995412577
Energy: 1.2145196812181158
Energy: 1.3956777554216455
Energy: 1.1576992817146579
Energy: 1.1573709233486653
Energy: 1.2319850861996158
Energy: 1.1577439020539353
Energy: 1.1474375701053448
Energy: 1.3520024625808895
Energy: 1.2213333605425694
Energy: 1.1981235690406573
Energy: 1.2456421861741585
Energy: 1.2212049516899748
Energy: 1.2266849033446845
Energy: 1.3517514306653102
Energy: 1.1806439707410215
Energy: 1.1807287904590533
Energy: 1.2557467473331305
Energy: 1.1913163956957016
Energy: 1.180949376556825
Energy: 1.634823533820752
Energy: 1.1913425702347797
Energy: 1.1914684159063456
Energy: 1.1693507340682938
Energy: 1.1912509315043105
Energy: 1.1811311181951
Energy: 1.4644689910320585
Energy: 1.2386193974762956
Energy: 1.2382488253358297
Energy: 1.2185846937647282
Energy: 1.2389655126583203
Energy: 1.2196064820987338
Energy: 1.4646872014497447
Energy: 1.2458348834793285
Energy: 1.2295066454471397
Energy: 1.2181398038319726
Energy: 1.2459872706520547
Energy: 1.202191832988761
Energy: 1.583935140035455
Energy: 1.238366006483264
Energy: 1.2104056844781828
Energy: 1.2400070101735408
Energy: 1.2387644111183083
Energy: 1.2307235671089674
Energy: 1.9016412863222798
Energy: 1.9037264266258695
Energy: 1.0838475071793345
Energy: 1.0844148245717071
Energy: 1.8598417344047016
Energy: 1.083951264995675
Energy: 1.9034323373576134
Energy: 1.1878620910059021
Energy: 1.1374099750378392
Energy: 1.0842983980146335
Energy: 1.2044956132723672
Energy: 1.151553557098528
Energy: 1.5842066021490366
Energy: 1.2328814853340984
Energy: 1.2065499427110076
Energy: 1.1764446628712957
Energy: 1.2330824896525534
Energy: 1.1551876014244995
Energy: 1.7368914817360281
Energy: 1.3223999525183445
Energy: 1.2189860537240311
Energy: 1.158401839725052
Energy: 1.338769218936227
Energy: 1.16017864745806
Energy: 1.584387012501456
Energy: 1.2415738112016725
Energy: 1.241796126590605
Energy: 1.227828637404671
Energy: 1.2414201345510794
Energy: 1.1964440301105335
Energy: 1.7137242515387117
Energy: 1.2412211404307723
Energy: 1.1796489597873083
Energy: 1.1628223269617757
Energy: 1.2420654459481724
Energy: 1.178213447729152
Energy: 1.7116801129453203
Energy: 1.160204103896547
Energy: 1.1777289546385943
Energy: 1.1606563410866686
Energy: 1.1606608987813447
Energy: 1.1605008746805268
Energy: 1.5750908238854524
Energy: 1.2177915008271323
Energy: 1.219107675801959
Energy: 1.2304659613421098
Energy: 1.218137667982394
Energy: 1.210057514871324
Energy: 1.3409029726511363
Energy: 1.2185559362557161
Energy: 1.2195390611875254
Energy: 1.2442156934960482
Energy: 1.2182420020569213
Energy: 1.2080497712835943
Energy: 1.340919125615619
Energy: 1.1959687721941956
Energy: 1.2296752751449476
Energy: 1.239523104348756
Energy: 1.204182201199854
Energy: 1.2210494065347688
Energy: 1.5589189200496552
Energy: 1.0840404415120333
Energy: 1.08385001032649
Energy: 1.1537976096494484
Energy: 1.0841353163103449
Energy: 1.083582254762415
Energy: 1.2449652222496785
Energy: 1.0841452891876842
Energy: 1.0840462488351683
Energy: 1.198885493945324
Energy: 1.0844432455881965
Energy: 1.1426109065389298
Energy: 1.2451794254143096
Energy: 1.2357668773784165
Energy: 1.1710425655837622
Energy: 1.2205533033893448
Energy: 1.2236120751250446
Energy: 1.1959151217031485
Energy: 1.2453622957980064
Energy: 1.157716768040994
Energy: 1.147347505561656
Energy: 1.2309909710355935
Energy: 1.1579541851300565
Energy: 1.11747906144852
Energy: 1.3410668284993628
Energy: 1.2354907469504783
Energy: 1.206900324529595
Energy: 1.2261181357964324
Energy: 1.2363072879257333
Energy: 1.2257271300434054
Energy: 1.3411254172734972
Energy: 1.1721915427976146
Energy: 1.1726193599611896
Energy: 1.2385072468066054
Energy: 1.1783022678038495
Energy: 1.1728356099204504
Energy: 1.3409552168585523
Energy: 1.1777992152863535
Energy: 1.1780903891097707
Energy: 1.1764037193769035
Energy: 1.1775328034719452
Energy: 1.1895289912027198
Energy: 1.4651929734635827
Energy: 1.2319778728707476
Energy: 1.2115957358077385
Energy: 1.2183659411245622
Energy: 1.256100268530825
Energy: 1.2097788072802775
Energy: 1.4643808162906042
Energy: 1.2302829437553422
Energy: 1.2262021748408383
Energy: 1.2183549566842296
Energy: 1.2327471208652805
Energy: 1.2205239829179213
Energy: 1.6991175161010361
Energy: 1.2527551341792114
Energy: 1.2545717426017104
Energy: 1.1997978724230351
Energy: 1.2528368814041413
Energy: 1.239865359966438
Energy: 1.8682719047999081
Energy: 1.9089766724614634
Energy: 1.1181714553041464
Energy: 1.113624852778595
Energy: 1.1899434363112646
Energy: 1.1184168666026235

minimum gb energy = 1.083582254762415 eV
minimum distance =  2.31746068603719 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.8355163571634705
Energy: 1.3341452987735407
Energy: 1.3340440124158226
Energy: 1.222786077243242
Energy: 2.620479620124186
Energy: 1.2039258130604196
Energy: 1.5112712981888587
Energy: 1.238490038822478
Energy: 1.238316080617071
Energy: 1.194972924316347
Energy: 1.2385748703848038
Energy: 1.1947090663916302
Energy: 1.6739594589604936
Energy: 1.2387488090589458
Energy: 1.238317464630246
Energy: 1.173691519552882
Energy: 1.2388161795385646
Energy: 1.1516685933138067
Energy: 1.6702111605090009
Energy: 1.150935591170338
Energy: 1.1592870626584058
Energy: 1.1708905134591505
Energy: 1.2002477117012975
Energy: 1.1575306795566445
Energy: 1.2473177009632228
Energy: 1.2319500771222585
Energy: 1.2316145717912819
Energy: 1.2348423731433131
Energy: 1.2338995566510125
Energy: 1.2299664554622805
Energy: 1.4179246282143048
Energy: 1.236290465470179
Energy: 1.2075661652059189
Energy: 1.2348028332001038
Energy: 1.235094644604912
Energy: 1.2026713928133734
Energy: 1.4176506279112273
Energy: 1.238868846051986
Energy: 1.2304301573536716
Energy: 1.2349895298297575
Energy: 1.2084893536135761
Energy: 1.2338210487817136
Energy: 1.4370637567585154
Energy: 1.1501806206537413
Energy: 1.1278086278435973
Energy: 1.1977598307641255
Energy: 1.150106276479568
Energy: 1.127822517311222
Energy: 1.23869390489565
Energy: 1.1284284176995227
Energy: 1.1289235510634845
Energy: 1.23883933468514
Energy: 1.1507402147093067
Energy: 1.153103070288461
Energy: 1.2387327056502362
Energy: 1.1830677816398396
Energy: 1.2686076329879121
Energy: 1.2387804354834495
Energy: 1.1837967225240416
Energy: 1.2383096249962628
Energy: 1.2392268935022557
Energy: 1.1707787769078295
Energy: 1.1595829849041321
Energy: 1.2392685248866713
Energy: 1.1985252646203526
Energy: 1.1486891353887205
Energy: 1.2677812716842132
Energy: 1.233345486479631
Energy: 1.2682256523916484
Energy: 1.201418494959819
Energy: 1.1585716956803194
Energy: 1.2325971778970504
Energy: 1.2675265516597156
Energy: 1.1622169374489761
Energy: 1.163191661780891
Energy: 1.2324658140435727
Energy: 1.1619912003530857
Energy: 1.1931833636385045
Energy: 1.2681897770159114
Energy: 1.1731196528637589
Energy: 1.1731282833275412
Energy: 1.1894035027263012
Energy: 1.17304948411381
Energy: 1.1862235286216138
Energy: 1.5102242574412506
Energy: 1.1662257063077148
Energy: 1.1663837257242242
Energy: 1.186325939994648
Energy: 1.1663408057919868
Energy: 1.1721842811522951
Energy: 1.510615639161097
Energy: 1.232974125840181
Energy: 1.166926239356529
Energy: 1.1855725794740624
Energy: 1.2331730943240535
Energy: 1.1862025827359874
Energy: 1.7041638438960471
Energy: 1.2333181449108983
Energy: 1.232726497519092
Energy: 1.1725035701545912
Energy: 1.2333044014758028
Energy: 1.2325391649579365
Energy: 1.8262439004468463
Energy: 1.1920412930791402
Energy: 1.1587291584507156
Energy: 1.149426803509621
Energy: 1.23892051656284
Energy: 1.15791358611403

minimum gb energy = 1.1278086278435973 eV
minimum distance =  2.29923619583489 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.5542405703502924
Energy: 1.140659674126569
Energy: 1.1395078654117596
Energy: 1.3362257809341154
Energy: 1.6965282803892068
Energy: 1.1387510785802952
Energy: 1.559839769912175
Energy: 1.1430149869423243
Energy: 1.1426769080388564
Energy: 1.1164973071436923
Energy: 1.142855701412023
Energy: 1.1427314203801473
Energy: 1.6844211120222305
Energy: 1.1428914430436634
Energy: 1.1429518514300054
Energy: 1.1169854809521533
Energy: 1.1429902425751484
Energy: 1.1430264802524428
Energy: 1.3359171982862277
Energy: 1.1426526952181897
Energy: 1.1425454216978965
Energy: 1.1640794520360676
Energy: 1.1428376083079588
Energy: 1.1424483996642492
Energy: 1.6842604457098393
Energy: 1.1863630712653375
Energy: 1.1863507996323162
Energy: 1.1740877002056485
Energy: 1.1741787687899137
Energy: 1.1866299930780233
Energy: 1.3428789125496936
Energy: 1.1101261269333949
Energy: 1.1858992747517676
Energy: 1.1735396475870579
Energy: 1.1099650745817193
Energy: 1.1693723139966279
Energy: 1.3385367707116862
Energy: 1.186560746995736
Energy: 1.1706195021956456
Energy: 1.1729533898028806
Energy: 1.1203015564943417
Energy: 1.1705669921802953
Energy: 1.3064192933507635
Energy: 1.0753830484664428
Energy: 1.0751847639161323
Energy: 1.1349084196079342
Energy: 1.0747222802687686
Energy: 1.0751942013824796
Energy: 1.1431749638024498
Energy: 1.0736636412367029
Energy: 1.073437516977473
Energy: 1.1432255911562865
Energy: 1.0739647966382737
Energy: 1.0983514351549195
Energy: 1.1425857484780286
Energy: 1.135927667653632
Energy: 1.1428879389971027
Energy: 1.1425399422084106
Energy: 1.1725888114704608
Energy: 1.142979653745517
Energy: 1.1429005692643601
Energy: 1.1653693452060383
Energy: 1.1652574735427075
Energy: 1.1429830315847291
Energy: 1.164599075487294
Energy: 1.142630267400783
Energy: 1.3387591214798542
Energy: 1.1868547943103647
Energy: 1.1857096490282364
Energy: 1.1425436855085427
Energy: 1.1727662321716605
Energy: 1.1422831381689482
Energy: 1.1106785770685341
Energy: 1.171910141788535
Energy: 1.1723973748641214
Energy: 1.1104456689924342
Energy: 1.1731087234588016
Energy: 1.1745125316129457
Energy: 1.3385825183308497
Energy: 1.173614286875046
Energy: 1.1728754219549515
Energy: 1.1361758879660055
Energy: 1.1753526230611042
Energy: 1.1719916369098027
Energy: 1.5584674649876857
Energy: 1.1425573767609976
Energy: 1.1368316666248073
Energy: 1.0736897268344376
Energy: 1.1426291113895348
Energy: 1.0738121394106137
Energy: 1.5591363234511566
Energy: 1.728728200407304
Energy: 1.075530499803086
Energy: 1.0739391609985025
Energy: 1.142881773791285
Energy: 1.0756758299096352
Energy: 1.683206865722082
Energy: 1.1429292331735552
Energy: 1.1429463124725856
Energy: 1.1728703925049357
Energy: 1.1425962781856167
Energy: 1.1427096561864678
Energy: 1.333093686595369
Energy: 1.1428881644709856
Energy: 1.1430051646486392
Energy: 1.1641101304239958
Energy: 1.1429746590653354
Energy: 1.1431372298425644
Energy: 1.333030965920309
Energy: 1.1427538982432957
Energy: 1.142946629670829
Energy: 1.1642196840257788
Energy: 1.1426663367372683
Energy: 1.1429825441630823
Energy: 1.3396934476945837
Energy: 1.110034035354515
Energy: 1.1867332561892505
Energy: 1.1738296930264067
Energy: 1.1099696860788584
Energy: 1.1859192269266554
Energy: 1.336097086751615
Energy: 1.1721456546336364
Energy: 1.1715673721821953
Energy: 1.1735238014078244
Energy: 1.2091994272061828
Energy: 1.1725388492403324
Energy: 1.3388887744261238
Energy: 1.1869831527184955
Energy: 1.186167942324756
Energy: 1.1730418773749889
Energy: 1.135760351313699
Energy: 1.171575525371238
Energy: 1.1203936814326734
Energy: 1.0756463519010957
Energy: 1.0765770776819732
Energy: 1.69371170866473
Energy: 1.0746519281780282
Energy: 1.0719014088477672
Energy: 1.1428856150327547
Energy: 1.136155121279313
Energy: 1.1430732135872808
Energy: 1.1428611840712766
Energy: 1.0737206300604276
Energy: 1.1424365577051139
Energy: 1.1428550767849202
Energy: 1.1440402812529646
Energy: 1.1429055535474282
Energy: 1.142892582376742
Energy: 1.1365722532592228
Energy: 1.142969046150462
Energy: 1.3074293586343486
Energy: 1.1640588592794592
Energy: 1.1642860052056456
Energy: 1.1427198498725042
Energy: 1.1642274682500693
Energy: 1.1424727585607977
Energy: 1.3381507424429686
Energy: 1.1727017154554267
Energy: 1.186103673023198
Energy: 1.1742487535726172
Energy: 1.174064876602602
Energy: 1.1860787971654825
Energy: 1.1101010932762987
Energy: 1.1723249704359315
Energy: 1.1702563159824675
Energy: 1.1099808335937122
Energy: 1.1728817580330348
Energy: 1.1698842704081376
Energy: 1.3399862887780327
Energy: 1.1722444090896114
Energy: 1.171038777461531
Energy: 1.1198212340857259
Energy: 1.172584942397196
Energy: 1.1696937887654115
Energy: 1.5587973738291552
Energy: 1.7218809424697632
Energy: 1.074471209193059
Energy: 1.0741135851740373
Energy: 1.14211878443404
Energy: 1.0747939042718924

minimum gb energy = 1.0719014088477672 eV
minimum distance =  2.35445983938118 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.3345319487536964
Energy: 1.344760204315873
Energy: 1.3424383136376608
Energy: 1.1858615412013076
Energy: 2.375436545197249
Energy: 1.3426391908697983
Energy: 1.0670780552471848
Energy: 1.1423025189192242
Energy: 1.1426073330607323
Energy: 1.0614806307570495
Energy: 1.1423344895989647
Energy: 1.094395261506674
Energy: 1.203604303810794
Energy: 1.1428855103678341
Energy: 1.1432194162126097
Energy: 1.058714588339112
Energy: 1.1438476965448074
Energy: 1.09372901171204
Energy: 1.204987369733598
Energy: 1.1437068473346732
Energy: 1.0870153281556314
Energy: 1.0597775449158613
Energy: 1.1431336288837801
Energy: 1.05704634290245
Energy: 1.3361547453311338
Energy: 0.9933750855288109
Energy: 1.0567308627145757
Energy: 1.1437233431406726
Energy: 0.9928918545122806
Energy: 1.0567983257890883
Energy: 1.1421827329976104
Energy: 0.9939563168064377
Energy: 0.9944301089336787
Energy: 1.1422015240899708
Energy: 0.99362755647135
Energy: 0.9944176884157595
Energy: 1.143878040075728
Energy: 1.057087365940466
Energy: 1.095051642815336
Energy: 1.1439583495861845
Energy: 1.0576206817040377
Energy: 1.1425528358069192
Energy: 1.1428425665248532
Energy: 1.0523871690706674
Energy: 1.0524420606076097
Energy: 1.1428569525196988
Energy: 1.0528278366505788
Energy: 1.0533769412684966
Energy: 1.2037347996613454
Energy: 1.0522807696423973
Energy: 1.0937716130529038
Energy: 1.1424413406582028
Energy: 1.0535169765057313
Energy: 1.093694785465136
Energy: 1.2053935661054627
Energy: 1.0852881706907682
Energy: 1.0835584365340196
Energy: 1.0853026477515237
Energy: 1.085821095865184
Energy: 1.0840747380798117
Energy: 1.203351228887294
Energy: 1.086578034232094
Energy: 1.0889327077510074
Energy: 1.0854994670849656
Energy: 1.1364716670204449
Energy: 1.0867824711734584
Energy: 1.3356372733147088
Energy: 1.0950238903314775
Energy: 1.0937299295013965
Energy: 1.060697675409738
Energy: 1.0862849208088003
Energy: 1.0943502094541886

minimum gb energy = 0.9928918545122806 eV
minimum distance =  2.32009901871143 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.108698967295742
Energy: 1.1887386983338273
Energy: 1.2476231410307064
Energy: 1.1433519817262654
Energy: 2.964651727713321
Energy: 1.2453487579699336
Energy: 1.4185221354431752
Energy: 0.990165969250757
Energy: 0.9882400827530141
Energy: 0.9803014980932991
Energy: 0.9907691923533741
Energy: 0.9798449201833307
Energy: 1.02850675501449
Energy: 0.9913238935448281
Energy: 0.990430179975416
Energy: 1.00228585674426
Energy: 0.9919159466908286
Energy: 0.9938329068288498
Energy: 1.0303466980579448
Energy: 0.9668216575124833
Energy: 0.9768120940736271
Energy: 0.9855495127574107
Energy: 0.9831391071466161
Energy: 0.9589616925025315
Energy: 1.4294407519679828
Energy: 0.9793159525325841
Energy: 0.9796270800407558
Energy: 1.0181536095977402
Energy: 1.0068443331072763
Energy: 1.0053274280271076
Energy: 1.0179664154050387
Energy: 0.8976100702752021
Energy: 0.9796650506122936
Energy: 1.0184141741489563
Energy: 0.8972891228639972
Energy: 0.9834369349194914
Energy: 1.0193938449348572
Energy: 0.9665935027348099
Energy: 0.9664040216397309
Energy: 1.0195620374516219
Energy: 0.9657722184571311
Energy: 1.017977791200788
Energy: 1.0184731531880924
Energy: 0.9539281494409128
Energy: 0.9669509579386487
Energy: 1.0185049701888913
Energy: 0.9522123606121133
Energy: 1.0397987066254994
Energy: 1.452244657599832
Energy: 1.001803606320869
Energy: 1.0290748420710654
Energy: 1.0142761020079465
Energy: 1.00987856728826
Energy: 1.048828504946474
Energy: 0.9522279789468081
Energy: 1.001525375610018
Energy: 0.984131982035172
Energy: 0.9724029283304942
Energy: 1.0127915069311864
Energy: 0.9472438664006508
Energy: 0.9522341196986608
Energy: 1.0185936859341596
Energy: 1.0438637200265073
Energy: 1.0024764814651674
Energy: 1.0184969183072647
Energy: 0.9937485535248364
Energy: 1.4359735629961157
Energy: 1.0186111518136884
Energy: 1.0182945465958246
Energy: 0.9833706135071364
Energy: 1.0186201134530255
Energy: 1.0059953818295082
Energy: 1.0349540734211549
Energy: 1.0417127718382282
Energy: 1.2257436114241465
Energy: 0.9730800716633486
Energy: 1.1488429424523983
Energy: 1.0034298293791997
Energy: 1.4361438851841948
Energy: 1.0180735097985363
Energy: 1.001892399671976
Energy: 0.9829863255802354
Energy: 1.0182701894095156
Energy: 1.0073195420166505
Energy: 0.9897426091415585
Energy: 0.9962940998515091
Energy: 0.9979703770195503
Energy: 0.9894440079318592
Energy: 0.9965503224389136
Energy: 0.969824907898024
Energy: 0.9903976835493565
Energy: 0.9565772531916621
Energy: 0.9750465488122133
Energy: 0.9914490315802763
Energy: 1.0078824264953563
Energy: 1.0084258137179996
Energy: 0.9900583180286534
Energy: 0.9640096875481766
Energy: 0.9647272748700866
Energy: 0.9903017867845879
Energy: 0.9814925087802179
Energy: 0.9794762029273432
Energy: 1.1858609808301224
Energy: 0.9675845142030923
Energy: 0.9655846158813207
Energy: 0.9896489714447799
Energy: 0.9707159531970169
Energy: 0.9902744392588925
Energy: 1.0296662006568271
Energy: 0.981338654997948
Energy: 0.961196139117217
Energy: 0.9898992775672408
Energy: 0.9800499046228239
Energy: 0.9907229319491191
Energy: 1.0300586927371516
Energy: 0.9802581457090168
Energy: 0.9590961026239584
Energy: 0.9786187224366393
Energy: 0.9785450978376703
Energy: 0.9390572619657986
Energy: 1.0289671779850966
Energy: 0.980908266409986
Energy: 0.967351406508898
Energy: 0.9765338956674232
Energy: 0.9805546318479664
Energy: 0.9375688157675158
Energy: 1.453068603634568
Energy: 2.625711767598298
Energy: 1.0192906182662038
Energy: 1.0087459827065155
Energy: 0.9899733551503938
Energy: 0.9866145525630465
Energy: 1.454300423499234
Energy: 0.9901717149027035
Energy: 1.0160150599178093
Energy: 1.0082127673080885
Energy: 0.9907823653652722
Energy: 0.9447699568306468
Energy: 1.0285455027760557
Energy: 0.9911443926354527
Energy: 0.990878875742475
Energy: 1.0139930253247769
Energy: 0.9919350374016943
Energy: 0.9960244675851034
Energy: 1.3470666930961381
Energy: 0.9661134376198864
Energy: 0.9685720361635041
Energy: 0.9548367570207708
Energy: 0.9899081713067602
Energy: 1.0200186306292471
Energy: 1.2772077653564655
Energy: 0.9837574127308066
Energy: 1.007985712117115
Energy: 1.0207262467195644
Energy: 0.983755611969293
Energy: 1.0054249556220607
Energy: 1.1767955594534252
Energy: 0.9799419340517616
Energy: 1.0025643155160586
Energy: 1.2092417321545754
Energy: 0.8981786576219347
Energy: 0.9504238068587489
Energy: 1.0184547471764516
Energy: 0.9662956353753084
Energy: 0.9659349986249028
Energy: 1.0188294683544217
Energy: 0.9840598346178802
Energy: 1.0186174504153298
Energy: 1.018929548975489
Energy: 0.9661301864176576
Energy: 0.9674825366806379
Energy: 1.019040888734099
Energy: 1.0084191524417836
Energy: 1.0485419405956433
Energy: 1.29876069865563
Energy: 0.9538902640964245
Energy: 0.9665897839892147
Energy: 1.0021257889566009
Energy: 0.9523248269342092
Energy: 0.9861509742677502
Energy: 0.9522867613933838
Energy: 1.0028887714311487
Energy: 1.0395528464449244
Energy: 1.0022607093201308
Energy: 1.013088466608792
Energy: 0.9888622811761165
Energy: 0.9521809728744585
Energy: 1.017728757957599
Energy: 1.0373183792333969
Energy: 0.971010321047011
Energy: 1.0175360280857988
Energy: 0.9466001031202701
Energy: 1.4374241122384888
Energy: 1.0190423405678564
Energy: 1.0182391484790183
Energy: 0.9686223297463512
Energy: 1.0191559408344102
Energy: 0.9675055179173215
Energy: 1.2362159918850733
Energy: 1.0181779649017424
Energy: 1.020396255870393
Energy: 1.0037304651417356
Energy: 1.0179109119853973
Energy: 0.9653381528759338
Energy: 1.2332099490806216
Energy: 1.0183206972983525
Energy: 1.0016502651979298
Energy: 1.0082883615533476
Energy: 1.0182185919285676
Energy: 1.0021622880605585
Energy: 1.0363895712805005
Energy: 0.9907075022496183
Energy: 0.9833020031213799
Energy: 1.0107079637569756
Energy: 0.9946627514348723
Energy: 0.9834055115245915
Energy: 0.9905546617100375
Energy: 0.9831156734382767
Energy: 0.9652387198200911
Energy: 0.9919667757398214
Energy: 1.0023594780817582
Energy: 0.9840917741986661
Energy: 0.9905429404727816
Energy: 0.9786449485236615
Energy: 0.9809532456517671
Energy: 0.9903235617037768
Energy: 0.9813606357352792
Energy: 0.965735773576464
Energy: 0.9903120343799239
Energy: 0.9666499514861467
Energy: 0.9873799350666772
Energy: 0.9893467178058826
Energy: 0.9724455550038865
Energy: 0.9830866683056214
Energy: 1.028161500523726
Energy: 0.9790183790762967
Energy: 0.9820545165985054
Energy: 0.9902964261154834
Energy: 0.9791879188142084
Energy: 0.9607887383878347
Energy: 1.02677444201702
Energy: 0.9571098397125294
Energy: 0.9552366409070004
Energy: 0.9792656725585026
Energy: 0.9815275548199384
Energy: 0.9559443236057484
Energy: 1.0294461772309342
Energy: 0.9809878417340268
Energy: 0.9847248119014319
Energy: 1.001233550814253
Energy: 0.9794977152497016
Energy: 0.9646142283347732
Energy: 1.453892293917318
Energy: 0.9904371529767704
Energy: 0.9812450965054207
Energy: 1.008134544107916
Energy: 0.991047506102409
Energy: 0.9446416768126326

minimum gb energy = 0.8972891228639972 eV
minimum distance =  2.30953306816685 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.4934269697591388
Energy: 0.7214395261643243
Energy: 0.4953499347449011
Energy: 0.49632921762718546
Energy: 1.1031732482353331
Energy: 0.49539161950933946
Energy: 0.4941400528314587
Energy: 0.5261534805641368
Energy: 0.5269084334929679
Energy: 0.5554302430844048
Energy: 0.5191994916750595
Energy: 0.5378822648002435
Energy: 0.6179992890767685
Energy: 0.5257420916086316
Energy: 0.5250437269123694
Energy: 0.5571954866136132
Energy: 0.5575091813520198
Energy: 0.5268801829432065
Energy: 0.6185411233894271
Energy: 0.5194149603802681
Energy: 0.5245939748886547
Energy: 0.5622224151881101
Energy: 0.5590548583393006
Energy: 0.5272484662228861
Energy: 0.6131488272087814
Energy: 0.5283098966153037
Energy: 0.4964718780811955
Energy: 0.5579456013512181
Energy: 0.49581971490408383
Energy: 0.5424954590896756
Energy: 0.5556121655336153
Energy: 0.4970076695999268
Energy: 0.4987169741968084
Energy: 0.5580538127244232
Energy: 0.49478796211702003
Energy: 0.5273804833956659
Energy: 0.5497828561648993
Energy: 0.5233140903065269
Energy: 0.5277692319772996
Energy: 0.5532351298766023
Energy: 0.5192859881606438
Energy: 0.5414936098225237
Energy: 0.5564869224120377
Energy: 0.5305084599807367
Energy: 0.5241427731268945
Energy: 0.5571439080799857
Energy: 0.523001162792067
Energy: 0.5265002211734506
Energy: 0.6126758603820505
Energy: 0.5425410677269872
Energy: 0.5431553572468234
Energy: 0.5560954069729154
Energy: 0.560239855272212
Energy: 0.5255914689054833
Energy: 0.4938992622106045
Energy: 1.1260166758992367
Energy: 0.4966716433474245
Energy: 0.4943643349945913
Energy: 0.5573693674109376
Energy: 0.5274020611658338
Energy: 0.49397549069211943
Energy: 0.5226958316518318
Energy: 0.981968377993153
Energy: 0.4946204873821919
Energy: 0.5204950032779817
Energy: 0.4975598493865619
Energy: 0.6150995100041372
Energy: 0.5649618068178188
Energy: 0.5385038561525832
Energy: 0.5193661354767573
Energy: 0.5561347688316604
Energy: 0.5383497549478354
Energy: 0.6188199394123134
Energy: 0.6143794236870702
Energy: 0.6153946656536728
Energy: 0.5280865294083478
Energy: 0.6196243982439783
Energy: 0.5858601758469502
Energy: 0.6135992785581453
Energy: 0.5658866347274307
Energy: 0.5399543018875688
Energy: 0.5232124745480909
Energy: 0.5575597279057224
Energy: 0.5395940514777107
Energy: 0.5184358575059952
Energy: 0.4953641251158885
Energy: 0.4959271314381944
Energy: 1.0517268670985904
Energy: 0.4998561923172082
Energy: 0.4954960104455601
Energy: 0.5527744743726829
Energy: 0.5381410061020258
Energy: 0.5389171836127732
Energy: 0.5169186447366876
Energy: 0.4970068716700692
Energy: 0.550502056852778
Energy: 0.5551620798389187
Energy: 0.5074964441603358
Energy: 0.541461544246286
Energy: 0.5560417817509841
Energy: 0.5677640020100135
Energy: 0.5257722658672098
Energy: 0.616643443775075
Energy: 0.5229963002743184
Energy: 0.5414167210539331
Energy: 0.5630415826917385
Energy: 0.5236862325900234
Energy: 0.5258624957698035
Energy: 0.494109879628503
Energy: 0.5227498655096318
Energy: 0.5257752675684768
Energy: 0.49488910037431555
Energy: 0.5205131623052165
Energy: 0.5410502131955923

minimum gb energy = 0.4934269697591388 eV
minimum distance =  2.35388166231783 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.5216311397466524
Energy: 0.8508329107218418
Energy: 0.8678154327500361
Energy: 1.1286827423871955
Energy: 3.0820440205671686
Energy: 0.8685242469485515
Energy: 0.9842571526066114
Energy: 0.8556005496282304
Energy: 0.8466134982939045
Energy: 0.8435148373208324
Energy: 0.8543830292891007
Energy: 0.849094143754034
Energy: 0.8378449985198405
Energy: 0.8457391540133352
Energy: 0.8483537090187753
Energy: 0.8410267565851743
Energy: 0.8445577861517951
Energy: 0.8380957102516619
Energy: 0.8392977189868839
Energy: 0.8581528155275507
Energy: 0.8620461079054611
Energy: 0.8418360303735761
Energy: 0.8472953341307322
Energy: 0.8469380997018429
Energy: 0.8387035385312988
Energy: 0.9357521380087128
Energy: 0.8866885092157031
Energy: 0.8556707298392051
Energy: 0.8612929926826364
Energy: 0.8472671656203826
Energy: 1.125821218682143
Energy: 0.9029541033377712
Energy: 0.8994575169730687
Energy: 0.8422605632224324
Energy: 0.8570603583881217
Energy: 0.885857715538895
Energy: 1.0673935546595825
Energy: 0.8427276216604912
Energy: 0.845279907393642
Energy: 0.8409972021858392
Energy: 0.8408279270357502
Energy: 0.8384695237446647
Energy: 0.8605476364985277
Energy: 0.9299489362434242
Energy: 0.9315009485422687
Energy: 0.8746510021913703
Energy: 0.9278243443603579
Energy: 0.9284818455859294
Energy: 1.1238658674258435
Energy: 0.8848942138560894
Energy: 0.9010823300684386
Energy: 0.8539470351307713
Energy: 0.8485973593568054
Energy: 0.8991726240156485
Energy: 1.403999274117935
Energy: 0.8826027764593746
Energy: 0.8862219311893516
Energy: 0.9244147892330706
Energy: 0.8810363732073955
Energy: 0.8996512386961967
Energy: 1.4965370870158405
Energy: 0.880817005277544
Energy: 0.8844383892090504
Energy: 0.9111661521084963
Energy: 0.8813250718682641
Energy: 0.8959670506517858
Energy: 1.2403755647894181
Energy: 0.8235115486756972
Energy: 0.8373452749436673
Energy: 0.9377798679781778
Energy: 0.8160723726695771
Energy: 0.8589236660950385
Energy: 1.0522522886710413
Energy: 0.8134084318150965
Energy: 0.8126397429640875
Energy: 0.9962499090717375
Energy: 0.8168570854271908
Energy: 0.8614436002779647
Energy: 1.049815902421862
Energy: 0.9371912872092352
Energy: 0.9370182750892186
Energy: 0.8955311664906489
Energy: 0.9400270313137324
Energy: 0.9363678022412932
Energy: 1.1038472434507038
Energy: 1.0790415350445357
Energy: 1.0167355263654585
Energy: 1.2701805318732204
Energy: 1.0468412891609682
Energy: 0.9024894066107676
Energy: 1.4411159098978783
Energy: 0.9393897360500724
Energy: 0.9373072422190877
Energy: 0.8948208133783478
Energy: 0.9439980332056874
Energy: 0.9379056660806043
Energy: 1.2989846152962203
Energy: 0.8980048912720252
Energy: 0.8561638918143875
Energy: 0.9920083155308479
Energy: 0.9163701298318152
Energy: 0.8640030495487376
Energy: 1.4846212320827636
Energy: 0.8946178071613374
Energy: 0.9410965293637052
Energy: 0.937621608989129
Energy: 0.8942643713135904
Energy: 0.9382682660462325
Energy: 1.3797582464014742
Energy: 0.8561265544826074
Energy: 0.9064111342159101
Energy: 0.8835087698796801
Energy: 0.8553528177553101
Energy: 0.9014510049969743
Energy: 1.0929124680357125
Energy: 0.9443664157409739
Energy: 0.9489172439398581
Energy: 0.8444942888321192
Energy: 1.2282550192429953
Energy: 0.8617516288290746
Energy: 1.4382415289460206
Energy: 0.9413533581584884
Energy: 0.890059162460344
Energy: 0.8959230326263545
Energy: 0.9408215098598133
Energy: 0.8858632760789271
Energy: 0.993841182323793
Energy: 0.8707448223121959
Energy: 0.8707349121607498
Energy: 1.3520975232489358
Energy: 1.097384668414344
Energy: 0.9401545437836998
Energy: 0.923638812010609
Energy: 0.8827454765035623
Energy: 0.8965563947469619
Energy: 0.8828564863138919
Energy: 0.9007866471163872
Energy: 0.8849983237859987
Energy: 0.9253501609842669
Energy: 0.8457301168619307
Energy: 0.8383531064759878
Energy: 0.9273703224124268
Energy: 0.841275564900973
Energy: 0.8462008048344714
Energy: 0.9554632484362151
Energy: 0.8427214544714474
Energy: 0.8374384966091646
Energy: 0.9550248309809409
Energy: 0.8415430755736273
Energy: 0.8473195412477725
Energy: 1.4983060214504533
Energy: 0.8441631407234009
Energy: 2.0880054395796166
Energy: 0.8469368488059463
Energy: 0.8411607902617019
Energy: 0.8115738535346114

minimum gb energy = 0.8115738535346114 eV
minimum distance =  2.31164217185992 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.6543241399167878
Energy: 0.9230223154155968
Energy: 0.977373317101227
Energy: 1.2421205277096985
Energy: 2.6058787302801907
Energy: 1.2426299356642037
Energy: 0.9539397035702055
Energy: 0.9192060226485687
Energy: 0.9112026693538596
Energy: 0.9172984971071911
Energy: 0.9125998556928555
Energy: 0.9105500016703026
Energy: 0.9157172438977733
Energy: 0.9121055157209516
Energy: 0.9110897936154696
Energy: 0.9191529440756085
Energy: 0.9177219721340186
Energy: 0.9105362139186227
Energy: 0.9163115325381372
Energy: 0.917716662979027
Energy: 0.9104305045619899
Energy: 0.9195616652214087
Energy: 0.9110309896033388
Energy: 0.9144234599512012
Energy: 0.9164406755806946
Energy: 0.9110398528274484
Energy: 0.913881804040311
Energy: 0.9436778542189819
Energy: 0.9430746946641976
Energy: 0.9189406912948919
Energy: 1.2959964353952065
Energy: 0.9120919506717811
Energy: 0.9106530441842595
Energy: 0.9458281982764083
Energy: 0.9198551241754773
Energy: 0.9189042045527921
Energy: 1.2844978758375198
Energy: 0.9178363668982358
Energy: 0.9147127938307933
Energy: 0.9455230294453228
Energy: 0.917098930330903
Energy: 0.9126236742467523
Energy: 0.9516716635787716
Energy: 1.0603857909351122
Energy: 0.9520321397172031
Energy: 0.8755046123059531
Energy: 1.059697120202965
Energy: 0.8862840869654571
Energy: 1.294645951464324
Energy: 0.9151043836389832
Energy: 0.9115645348800541
Energy: 0.9418974543051593
Energy: 0.9194142960747773
Energy: 0.9112192463549602
Energy: 1.2839827290037007
Energy: 0.9180104156146087
Energy: 0.9098377098744204
Energy: 0.9207444127068556
Energy: 0.9237441725846038
Energy: 0.9104990865500451
Energy: 1.2869433044192493
Energy: 0.917968589579506
Energy: 0.9093348788529673
Energy: 0.9208208848951253
Energy: 0.9167413597980647
Energy: 0.9104958990956388
Energy: 1.484485095791185
Energy: 0.8752739021338003
Energy: 0.8752000848921951
Energy: 0.9424822723570386
Energy: 0.8749698964034527
Energy: 0.9119338514632411
Energy: 1.0199140731081
Energy: 0.8750470611380982
Energy: 0.8752019390013187
Energy: 0.9599284103722473
Energy: 0.8749368734918849
Energy: 0.8768509438241556
Energy: 1.0154042725632777
Energy: 0.9121709960265141
Energy: 0.9116976269841832
Energy: 1.0189844558332093
Energy: 0.9415830935152678
Energy: 0.9115712196946185
Energy: 1.0604743746806284
Energy: 1.0367908584621275
Energy: 1.061913960716894
Energy: 1.061447023161926
Energy: 1.0947627222860452
Energy: 1.0619993891686395
Energy: 0.9148714579791744
Energy: 0.9170332271526032
Energy: 0.9117410481204186
Energy: 0.9175385299388354
Energy: 0.9420391947456204
Energy: 0.9116262510776139
Energy: 1.6130984176203091
Energy: 2.5810436715323655
Energy: 0.8742976220791042
Energy: 0.976064686327718
Energy: 2.1894470646136712
Energy: 1.0650016004959757
Energy: 0.9556836231607483
Energy: 0.9192414756870341
Energy: 0.9202903791299523
Energy: 0.8748422602838377
Energy: 0.9189999641861265
Energy: 0.876092829543732
Energy: 0.9156238365193714
Energy: 0.9172361038955779
Energy: 0.9166523344292975
Energy: 0.9180575389793217
Energy: 0.918448729502094
Energy: 0.9110934632262649
Energy: 0.9156057822428721
Energy: 0.9108843702873693
Energy: 0.9098392985586269
Energy: 0.9180823642762117
Energy: 0.9173781125617364
Energy: 0.9113432735706961
Energy: 0.9152448906467333
Energy: 0.9135793291715617
Energy: 0.9108521761005144
Energy: 0.9432277021659575
Energy: 0.9190367925155076
Energy: 0.910923459683177
Energy: 1.4463877466735036
Energy: 1.100845057213114
Energy: 1.1341179993492108
Energy: 1.1463992818783884
Energy: 1.1018930907098474
Energy: 1.1338701129276165
Energy: 1.294926232630983
Energy: 0.914652042753086
Energy: 0.9122087282123397
Energy: 0.9431867246787551
Energy: 0.919092340193112
Energy: 0.9109958280053219
Energy: 0.9514123645660992
Energy: 1.0381153880041136
Energy: 0.9313613240701615
Energy: 0.8770356493674237
Energy: 1.0630836406846536
Energy: 0.8803843068096725
Energy: 1.2844892760173412
Energy: 0.9172562883070946
Energy: 0.9223059865812989
Energy: 0.9423122189955467
Energy: 0.9176666676936301
Energy: 0.9142128013746184
Energy: 1.284379017512195
Energy: 0.9176962726096487
Energy: 0.9097667139996236
Energy: 0.9232266459897746
Energy: 0.9171418582269302
Energy: 0.909314377713009
Energy: 1.2840650771864897
Energy: 0.9177532238924974
Energy: 0.9100580318989423
Energy: 0.9203225700548856
Energy: 0.9333895785256706
Energy: 0.9157996087899976
Energy: 1.2948390385707451
Energy: 0.9378521151185542
Energy: 0.9100129751266955
Energy: 0.9420849381880446
Energy: 0.9095487500583789
Energy: 0.9114961663646715
Energy: 1.0189598537652254
Energy: 0.9775207931051356
Energy: 0.9747766267945974
Energy: 1.0195119216050212
Energy: 0.8760189057982039
Energy: 0.9664498201837353
Energy: 1.015579337661878
Energy: 0.9184759624111851
Energy: 0.9119356445346141
Energy: 1.0186863287490204
Energy: 0.9202023589301566
Energy: 0.9122075112166783
Energy: 1.0192417345146856
Energy: 0.9107570485899779
Energy: 0.9123207257164907
Energy: 1.0192857174262893
Energy: 0.9176731933479293
Energy: 0.9175912904411823
Energy: 0.9146561891022449
Energy: 0.9137919388091698
Energy: 0.9174371647518968
Energy: 0.9430389308507213
Energy: 0.9174491063605787
Energy: 0.9147164586380425
Energy: 1.6159808788340604
Energy: 0.9196311667494703
Energy: 0.8744185013898726
Energy: 0.8812210030616487
Energy: 0.9189119543312491
Energy: 0.9345371765185958

minimum gb energy = 0.8742976220791042 eV
minimum distance =  2.31648579575295 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.2404197399658037
Energy: 1.9828835928433808
Energy: 1.0168116154665987
Energy: 0.9612750349026717
Energy: 2.23291121817551
Energy: 1.0154401069567105
Energy: 1.463625839017035
Energy: 0.9742301842774301
Energy: 0.9750505366446494
Energy: 0.9477559482737256
Energy: 0.9764674764339538
Energy: 0.9758215912123145
Energy: 1.0008146803559421
Energy: 0.9754981446131455
Energy: 0.9765095152086253
Energy: 0.9735428876628954
Energy: 0.9723365161386676
Energy: 0.9754901547564659
Energy: 1.0055924032499592
Energy: 0.9747945349633846
Energy: 0.9740206885291252
Energy: 1.0072857779849835
Energy: 0.9757849581799218
Energy: 0.9735661253193892
Energy: 1.0012159003598227
Energy: 0.9742778071274578
Energy: 0.9470741430192461
Energy: 1.0036010386880012
Energy: 0.9931076101465792
Energy: 0.9464975906482408
Energy: 1.051727912919972
Energy: 0.9522440835209273
Energy: 0.9525209882789706
Energy: 1.0034430254045779
Energy: 0.9781459082679592
Energy: 0.9528581121189614
Energy: 1.465439469545827
Energy: 0.9499730591005403
Energy: 0.9752688132374726
Energy: 1.0012567787313502
Energy: 0.9488970101754196
Energy: 0.972337655026754
Energy: 1.0473442170925042
Energy: 1.0142350575670576
Energy: 0.9587452174944805
Energy: 0.9429848643638007
Energy: 0.9804300285573792
Energy: 0.9596287075512462
Energy: 1.0514956075363837
Energy: 0.9476716505430804
Energy: 0.9458037174990358
Energy: 0.9458121974690935
Energy: 0.9469388963304302
Energy: 0.9451143908443874
Energy: 1.4670401833569753
Energy: 0.9476255506420654
Energy: 0.9464169051235443
Energy: 0.9732863811039535
Energy: 0.9500473795145817
Energy: 0.9472793210888107
Energy: 1.4664556193939031
Energy: 0.950654858942042
Energy: 0.9746747379669768
Energy: 0.976448232639677
Energy: 0.9493344552110071
Energy: 0.9722763143948575
Energy: 1.0500298234018788
Energy: 0.9421490816190257
Energy: 0.9421956544548349
Energy: 0.9770865325804102
Energy: 0.9493661859532303
Energy: 0.9424264429893818
Energy: 1.0021175897109886
Energy: 0.9423161647663829
Energy: 0.9422119577197042
Energy: 0.9765188883657585
Energy: 0.9527831179389488
Energy: 0.9429900530037141
Energy: 0.9996274605175123
Energy: 0.9747022750947526
Energy: 0.9725366008956045
Energy: 1.002242611623937
Energy: 0.9751593127427479
Energy: 0.9720242719070057
Energy: 0.958276339095098
Energy: 0.97302091362626
Energy: 0.9732559608812729
Energy: 0.9724223955824918
Energy: 0.9726461248614843
Energy: 0.9734461165636946
Energy: 1.0007532013607534
Energy: 0.9728632654595987
Energy: 0.9733323939445979
Energy: 0.9927607105849507
Energy: 1.0028331444906735
Energy: 0.9951052936590624
Energy: 1.4627043162326716
Energy: 1.0044245046025002
Energy: 0.9475703630872573
Energy: 0.9779018341738841
Energy: 1.002345458802668
Energy: 0.9478808583365482
Energy: 1.4684910866209198
Energy: 0.9473832734575807
Energy: 0.9462504827330231
Energy: 1.003310753439119
Energy: 1.0034147608441988
Energy: 0.9471566054302067
Energy: 1.0034628022459409
Energy: 0.9451019412785945
Energy: 0.9428898383362851
Energy: 0.9527234946320998
Energy: 0.9465488105758393
Energy: 0.9745065718657555
Energy: 0.952791315048399
Energy: 0.9447139096953269
Energy: 0.9424020391249577
Energy: 0.9897892872370608
Energy: 0.9466558588697728
Energy: 0.9748873090863024
Energy: 0.9470283159245038
Energy: 0.9731159874017571
Energy: 0.9473430473251849
Energy: 0.9483724871885156
Energy: 0.9745247129170365
Energy: 0.9895608997648221
Energy: 0.9835195630805776
Energy: 0.9484556128294332
Energy: 0.9500343387845165
Energy: 1.0181223328412408
Energy: 0.9476238118186989
Energy: 0.9520215347668961
Energy: 1.4154743167355703
Energy: 0.9738107757369294
Energy: 0.9732548058209199
Energy: 0.9477279712576252
Energy: 0.9742681253955408
Energy: 0.9477237028765719
Energy: 1.052471420148343
Energy: 2.5188941958192155
Energy: 0.9456636601022383
Energy: 0.9432428009020016
Energy: 2.2020878878186645
Energy: 0.9453216784063536
Energy: 1.8796374796488324
Energy: 0.9748489714894352
Energy: 0.975024415584847
Energy: 0.9480725265055316
Energy: 0.975225321733576
Energy: 0.9749778387893581
Energy: 1.0068486243719612
Energy: 0.9753217040244583
Energy: 0.9763561654441418
Energy: 0.9748093801309505
Energy: 0.9732264951555115
Energy: 0.9770825088534618
Energy: 1.0005222429366243
Energy: 0.974591830339196
Energy: 0.9755378278341332
Energy: 0.975022976283433
Energy: 0.9751430858525229
Energy: 0.9745959598474767
Energy: 1.0026048107295351
Energy: 0.9473209266586752
Energy: 0.9471501548834554
Energy: 1.0023403985182628
Energy: 0.9777588560029752
Energy: 0.9769022171318499
Energy: 1.1012263687616337
Energy: 0.9525568479506693
Energy: 0.9521304566540428
Energy: 1.0502083582254236
Energy: 0.947806861462954
Energy: 0.9517856672190085
Energy: 1.050498916915561
Energy: 0.9476572853361381
Energy: 0.9481233722414103
Energy: 1.0021403712721213
Energy: 0.9481294335075757
Energy: 0.9741416952477002
Energy: 1.0469236336890133
Energy: 0.9530795862677249
Energy: 0.9586056394387696
Energy: 0.9430105548692865
Energy: 0.9812208240767757
Energy: 0.9591389558584955
Energy: 1.053489477213326
Energy: 0.9495721733956056
Energy: 0.9485248942162263
Energy: 0.9746267016757713
Energy: 0.9483523369060038
Energy: 0.9495802546933823
Energy: 1.4668366261270596
Energy: 0.948485530694899
Energy: 0.9480035994790852
Energy: 0.9739965712931075
Energy: 0.949980421903172
Energy: 0.9743564476007601
Energy: 1.4668400783993423
Energy: 0.948336460291087
Energy: 0.9752643441218659
Energy: 0.9739972798444768
Energy: 0.9528331756335267
Energy: 0.9736886080203855
Energy: 1.0525378849564444
Energy: 0.9423998449499044
Energy: 0.9425173513856446
Energy: 0.9762692250978596
Energy: 0.9486724925939205
Energy: 0.9443294218524504
Energy: 1.0027134338177144
Energy: 0.9423099003813361
Energy: 0.9438895247430826
Energy: 1.0017711818939807
Energy: 0.9431884621869899
Energy: 0.9431706837315775
Energy: 0.9987408289905365
Energy: 0.9900529250991382
Energy: 0.9733587739693579
Energy: 1.001894958139096
Energy: 0.9927711556870192
Energy: 0.9720356957215416
Energy: 0.9737131136783009
Energy: 0.9718017313402205
Energy: 0.9735635053245519
Energy: 0.9761048311189398
Energy: 0.9716958882002285
Energy: 0.9946210714560026
Energy: 0.9996055622894061
Energy: 0.9915209602860177
Energy: 0.9718541771556437
Energy: 0.974030426832187
Energy: 1.0023384858398152
Energy: 0.9724277242032905
Energy: 1.462106686593745
Energy: 0.9976771875018791
Energy: 0.9470224969419802
Energy: 0.9732315883083698
Energy: 1.0026469510000702
Energy: 0.9489250451816235
Energy: 1.4634836174925299
Energy: 0.9471820449579106
Energy: 0.9467468202750562
Energy: 1.0065200147139375
Energy: 1.0028711502944023
Energy: 0.9471787304248571
Energy: 1.0004736301032047
Energy: 0.9451002145786629
Energy: 0.9428850343644795
Energy: 0.9518585054416059
Energy: 0.9468844624380597
Energy: 0.9729468586952491
Energy: 0.9498417816282225
Energy: 0.9445329102730601
Energy: 0.9437304793547681
Energy: 0.949370476092731
Energy: 0.9445503792782615
Energy: 0.9441551068486904
Energy: 0.946767732807394
Energy: 0.947830062074146
Energy: 0.945397303375885
Energy: 0.9485532520999495
Energy: 0.945520656048404
Energy: 0.9481113553891913
Energy: 0.981558091697347
Energy: 0.9492864042111776
Energy: 1.0144984603141378
Energy: 0.9811109777413486
Energy: 0.9494407877068378
Energy: 1.015705600220778
Energy: 0.9997140985161365
Energy: 0.9729048690082083
Energy: 0.972199016539727
Energy: 0.948364219476952
Energy: 0.9771867320020771
Energy: 0.9739599105779415
Energy: 1.8786309494178766
Energy: 2.353112968354986
Energy: 0.9442567581900313
Energy: 0.9550480186379301
Energy: 1.00194842169748
Energy: 0.944030698164136

minimum gb energy = 0.9421490816190257 eV
minimum distance =  2.32666490858682 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.463134149735255
Energy: 1.0270618099416358
Energy: 1.0268247898449974
Energy: 1.034761318515003
Energy: 1.4225734097453204
Energy: 1.0260098309977679
Energy: 1.1498207127976459
Energy: 1.036552085116597
Energy: 1.0361944675795502
Energy: 1.0356011250310109
Energy: 1.0378381786123274
Energy: 1.0356451130884525
Energy: 1.082972103201161
Energy: 0.9966018774414751
Energy: 1.0377483421861347
Energy: 1.0373441853404857
Energy: 0.995642649619798
Energy: 1.038000289124585
Energy: 1.0824941783117874
Energy: 1.0343780320514004
Energy: 1.03413637358077
Energy: 1.036152188780575
Energy: 1.0345624341897905
Energy: 1.0336735248254483
Energy: 1.073914569546527
Energy: 1.0375725530214728
Energy: 1.0377830305664033
Energy: 1.0749939950919094
Energy: 1.0375175920126045
Energy: 1.0384560188981669
Energy: 1.0767040786392559
Energy: 1.0398476899883553
Energy: 1.0410996692266186
Energy: 1.0777800463049425
Energy: 1.0392022409121167
Energy: 1.041201494737403
Energy: 1.1495831683685327
Energy: 1.037041330924341
Energy: 1.0369480408126077
Energy: 0.9969360952646298
Energy: 1.0375215965019602
Energy: 1.0361009752061907

minimum gb energy = 0.995642649619798 eV
minimum distance =  2.34850094560256 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.9073755630799303
Energy: 1.3195800907322055
Energy: 1.1958898538805012
Energy: 1.2170099839069575
Energy: 2.507592903770532
Energy: 1.2407154166742576
Energy: 1.1912845416990532
Energy: 1.164449185042436
Energy: 1.172177177493719
Energy: 1.168721072464531
Energy: 1.20975364100285
Energy: 1.1621317917915963
Energy: 1.2194591472813583
Energy: 1.1697388911256204
Energy: 1.1700294579232382
Energy: 1.1594445501562818
Energy: 1.1676427595090022
Energy: 1.1604052502124198
Energy: 1.220808647852826
Energy: 1.1550140310487755
Energy: 1.2102377343228363
Energy: 1.2211843449283712
Energy: 1.1665627922095858
Energy: 1.1552232798965345
Energy: 1.205350084739225
Energy: 1.2098270226350325
Energy: 1.2145296927758922
Energy: 1.2064724006511396
Energy: 1.2144463385024942
Energy: 1.2126464450571808
Energy: 1.1964172441542762
Energy: 1.2088065133118564
Energy: 1.208663263231972
Energy: 1.2153563206832005
Energy: 1.2076999076099173
Energy: 1.207581468226213
Energy: 1.2209177479682718
Energy: 1.246716803918283
Energy: 1.237035268540509
Energy: 1.2140747504598672
Energy: 1.250147465647014
Energy: 1.230372885271644
Energy: 1.3921757020743872
Energy: 1.298458818189691
Energy: 1.2307456731332813
Energy: 1.1913099909384368
Energy: 1.2395673611975975
Energy: 1.293775671909475
Energy: 1.2814443244025944
Energy: 1.2370462075914697
Energy: 1.2361151147026057
Energy: 1.2432411931575384
Energy: 1.2427841509665984
Energy: 1.2331088385157736
Energy: 1.3087500389597504
Energy: 1.21312715881246
Energy: 1.213047201928063
Energy: 1.4105223014291692
Energy: 1.2137837497089208
Energy: 1.182471889872036
Energy: 1.2852354418575724
Energy: 1.1802714510011127
Energy: 1.1984734611659826
Energy: 1.2772573723300062
Energy: 1.2095250576350574
Energy: 1.2212545905141188
Energy: 1.2846494423960038
Energy: 1.2194699451636704
Energy: 1.2227582623791355
Energy: 1.2178809299747182
Energy: 1.2154959052033658
Energy: 1.2161213786813687
Energy: 1.2170949923245102
Energy: 1.2200630921415616
Energy: 1.219396239452876
Energy: 1.1806101628007655
Energy: 1.202463492681691
Energy: 1.2188848816201778
Energy: 1.4241392435879803
Energy: 1.219747278591852
Energy: 1.2337347672447994
Energy: 1.2253501859156815
Energy: 1.2217070164536463
Energy: 1.2217631917229064
Energy: 1.2694694986057438
Energy: 1.2276658696585918
Energy: 1.2871133611637526
Energy: 1.1616624106854634
Energy: 1.2007483293522525
Energy: 1.2273298167330875
Energy: 1.386376052246028
Energy: 1.2303009451526237
Energy: 1.221974994920672
Energy: 1.24456956516552
Energy: 1.2285533933664228
Energy: 1.2231836922568957
Energy: 1.383882080898236
Energy: 1.2137401125770357
Energy: 1.2113510486242463
Energy: 1.3845580802829127
Energy: 1.1920286460891518
Energy: 1.1690242898044494
Energy: 1.385646544860369
Energy: 1.2264280545730109
Energy: 1.2579223328307076
Energy: 1.26200569514056
Energy: 1.2237308566037997
Energy: 1.2642500015638958
Energy: 1.4473704149580922
Energy: 1.2253939997153784
Energy: 1.2255375068491625
Energy: 1.2091746020926164
Energy: 1.2397543066632868
Energy: 1.2034388797792266
Energy: 1.3117784829682646
Energy: 1.2288877577607609
Energy: 1.2252219507628146
Energy: 1.2090549058909588
Energy: 1.2433490965043235
Energy: 1.2029903193745342
Energy: 1.2276188232300593
Energy: 1.2076836455342417
Energy: 1.2156741033233147
Energy: 1.2144696046019015
Energy: 1.2120368119233733
Energy: 1.2150093584009116
Energy: 1.2132818242378651
Energy: 1.2154853489620874
Energy: 1.2099762523305786
Energy: 1.2134523464740081
Energy: 1.2174784002183243
Energy: 1.2098606635311142
Energy: 1.2143432303085153
Energy: 1.2153438532850942
Energy: 1.2106721457449279
Energy: 1.2156060836017109
Energy: 1.2089724288151515
Energy: 1.2104237019529225
Energy: 1.2221039436031889
Energy: 1.1906050702432
Energy: 1.1898214798950464
Energy: 1.2224147885044165
Energy: 1.190966957367787
Energy: 1.244996948616738
Energy: 1.2453322644354496
Energy: 1.2482620111120035
Energy: 1.221976853413154
Energy: 1.2340410051365458
Energy: 1.236792445785445
Energy: 1.2227569338849276
Energy: 1.4122621103555935
Energy: 1.254768577102083
Energy: 1.1600047626668106
Energy: 1.1464255124612164
Energy: 1.2820428830100554
Energy: 1.1656516994090873
Energy: 1.5836615752254104
Energy: 1.290648007213912
Energy: 1.1806033149021755
Energy: 1.1461858322682363
Energy: 1.2435010480219493
Energy: 1.1725104805816495
Energy: 1.2459753086021288
Energy: 1.2370956388110976
Energy: 1.2215383860247646
Energy: 1.2399921146750739
Energy: 1.2492413465694614
Energy: 1.2229065331540288
Energy: 1.2004937940966511
Energy: 1.17024667940271
Energy: 1.1695555364939605
Energy: 1.2007840649832535
Energy: 1.1705661694494776
Energy: 1.229770703061389
Energy: 1.1982547012278755
Energy: 1.2072211445666334
Energy: 1.2084267781253415
Energy: 1.1993745881899407
Energy: 1.2072402285991164
Energy: 1.2087515206125325
Energy: 1.1985144551780325
Energy: 1.2080272299459247
Energy: 1.206752174189175
Energy: 1.2083971952572403
Energy: 1.2388701927292531
Energy: 1.2064613040812862
Energy: 1.2041874522245963
Energy: 1.213307087469567
Energy: 1.2135744291261694
Energy: 1.2133052817636092
Energy: 1.2144482112224486
Energy: 1.2203480562603934
Energy: 1.390399572439191
Energy: 1.218483735364182
Energy: 1.245301201933409
Energy: 1.1907862225314745
Energy: 1.2875444131451983
Energy: 1.207514455112037
Energy: 1.5521107535101555
Energy: 1.2401881295787651
Energy: 1.2406720638891486
Energy: 1.1947405014761479
Energy: 1.2669942143710162
Energy: 1.2357594185227194
Energy: 1.268742545030545
Energy: 1.1818127860760077
Energy: 1.1808171717148919
Energy: 1.220087466113833
Energy: 1.214373891089909
Energy: 1.2469488429431095
Energy: 1.2862154138488857
Energy: 1.213101353704108
Energy: 1.2128701050215893
Energy: 1.2868232351489874
Energy: 1.2140093538204115
Energy: 1.1816406284471235
Energy: 1.297089165453533
Energy: 1.2246648804697868
Energy: 1.2210923952607662
Energy: 1.248395882147038
Energy: 1.2241091691050747
Energy: 1.2265208089676598
Energy: 1.2177716302257335
Energy: 1.2165504524454045
Energy: 1.2062315442028329
Energy: 1.1547295508517172
Energy: 1.2173664841157055
Energy: 1.198425941706235
Energy: 1.2852966044603469
Energy: 1.1915242573831601
Energy: 1.2091380682850446
Energy: 1.212423808356349
Energy: 1.1940429973086315
Energy: 1.2130669370366634
Energy: 1.2685558688643213
Energy: 1.228339242693789
Energy: 1.228219184375458
Energy: 1.161520202947904
Energy: 1.2279696794087627
Energy: 1.2328624423366774
Energy: 1.3851443141156254
Energy: 1.2316840500367563
Energy: 1.2158775664386503
Energy: 1.235599703863403
Energy: 1.2296888976736253
Energy: 1.2166908830145364
Energy: 1.3914632650643555
Energy: 1.1901786927520595
Energy: 1.2120518068839203
Energy: 1.246271946306952
Energy: 1.1882226995121656
Energy: 1.246931055408212
Energy: 1.4033848744187398
Energy: 1.2089488675358404
Energy: 1.209883687032248
Energy: 1.4069920629162018
Energy: 1.189644589207409
Energy: 1.2212035864625639
Energy: 1.4050966446191608
Energy: 1.2213575826325216
Energy: 1.2162837184761528
Energy: 1.2356900970701028
Energy: 1.230646908945895
Energy: 1.2187927083536634
Energy: 1.670458324308944
Energy: 1.2408372303354054
Energy: 1.2484622533945555
Energy: 1.2005463098525972
Energy: 1.238773207417202
Energy: 1.243534566018158
Energy: 1.2354417211828874
Energy: 1.2134549497133023
Energy: 1.210496489769667
Energy: 1.2147182730093162
Energy: 1.2138376205724546
Energy: 1.2140442869959112
Energy: 1.2106979277106877
Energy: 1.2167058619543945
Energy: 1.21442886269016
Energy: 1.2257838644873047
Energy: 1.215687179349809
Energy: 1.2149402832839935
Energy: 1.2222897141102127
Energy: 1.2177368931695365
Energy: 1.220345498957846
Energy: 1.2190030447872768
Energy: 1.2184040447468685
Energy: 1.2162691173747442
Energy: 1.2388464373637045
Energy: 1.1785199426943718
Energy: 1.2111351495669007
Energy: 1.2281169724558576
Energy: 1.1786842114760927
Energy: 1.1718632781000284
Energy: 1.219568044433277
Energy: 1.1799176139822283
Energy: 1.1895775804555326
Energy: 1.2673485641116595
Energy: 1.1791205390404882
Energy: 1.1558088027030833
Energy: 1.3783308123075362
Energy: 1.163039751980382
Energy: 1.1723770077462963
Energy: 1.1773479681630536
Energy: 1.292824716128325
Energy: 1.1650740491269647

minimum gb energy = 1.1461858322682363 eV
minimum distance =  2.27945492565483 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.126236914032579
Energy: 1.2723758488391825
Energy: 1.182881021175651
Energy: 1.1841495963672224
Energy: 1.7700657229403478
Energy: 1.272907517852809
Energy: 1.1612840603225583
Energy: 1.1668705059925082
Energy: 1.1670718710161572
Energy: 1.1482947744644365
Energy: 1.1487280876665016
Energy: 1.214981112037092
Energy: 1.3227569515502473
Energy: 1.1531017794539842
Energy: 1.152068187808736
Energy: 1.2101122391637282
Energy: 1.1553558407701898
Energy: 1.2845329621330375
Energy: 1.2384732435793915
Energy: 1.152986849995284
Energy: 1.24965251433156
Energy: 1.2403771240278638
Energy: 1.152494908620836
Energy: 1.1602027905547032
Energy: 1.2525731832724938
Energy: 1.2190334249117556
Energy: 1.2604542814275022
Energy: 1.260335927970743
Energy: 1.2268364953348985
Energy: 1.2568155110893542
Energy: 1.2222054894291399
Energy: 1.2155001916943358
Energy: 1.2147765179880772
Energy: 1.2638945504129295
Energy: 1.2154089715885792
Energy: 1.2494749101282498
Energy: 1.2984616361558032
Energy: 1.2828652753251344
Energy: 1.2770057335790053
Energy: 1.2223370727171174
Energy: 1.284451068034371
Energy: 1.2275563549936455
Energy: 1.3685015088476533
Energy: 1.3170751930415447
Energy: 1.3214821473601164
Energy: 1.1289448798747221
Energy: 1.3363647854206886
Energy: 1.2120807210796491
Energy: 1.3621231593147034
Energy: 1.2841382298591897
Energy: 1.2339876991145042
Energy: 1.232550693411801
Energy: 1.2837805530212352
Energy: 1.2327731230033139
Energy: 1.3845614467181406
Energy: 1.1516935646830915
Energy: 1.1510536994198264
Energy: 1.3667178239568822
Energy: 1.1516993915379057
Energy: 1.184875499061914
Energy: 1.2279428633371903
Energy: 1.151330613310054
Energy: 1.1506509725078569
Energy: 1.242947955773187
Energy: 1.181361256057199
Energy: 1.2247339302860318
Energy: 1.1958198453687972
Energy: 1.2513558148457724
Energy: 1.2325811627816523
Energy: 1.1587644251658982
Energy: 1.227401095972673
Energy: 1.234157443298033
Energy: 1.1962571125269306
Energy: 1.2596271025507269
Energy: 1.254066707426358
Energy: 1.1537995868701707
Energy: 1.2598754113589052
Energy: 1.1529567488396781
Energy: 1.2557560577811184
Energy: 1.2572999377227707
Energy: 1.2591496575906953
Energy: 1.2312933995311102
Energy: 1.2578525330674792
Energy: 1.226982838979273
Energy: 1.3779751253554695
Energy: 1.2267945878116628
Energy: 1.2538610220869684
Energy: 1.2206347556754775
Energy: 1.2296080951396968
Energy: 1.2538416111731296
Energy: 1.3799833064095166
Energy: 1.2169892886947389
Energy: 1.2163267885793312
Energy: 1.274641345608807
Energy: 1.1920949585992429
Energy: 1.2244091297649853
Energy: 1.3775074188801952
Energy: 1.1596531977429956
Energy: 1.158945143951458
Energy: 1.3767165830141446
Energy: 1.1596856555233872
Energy: 1.2107442307099232
Energy: 1.3431333251369004
Energy: 1.1960715039916636
Energy: 1.1960198846416734
Energy: 1.28429656900402
Energy: 1.1936579136309307
Energy: 1.194886078473649
Energy: 1.3419874825384144
Energy: 1.165055572690585
Energy: 1.0814269671956236
Energy: 1.0783203353045587
Energy: 1.2265960383901102
Energy: 1.084997382177722
Energy: 1.3448471222836205
Energy: 1.195738608004707
Energy: 1.113313470917339
Energy: 1.0793566754974044
Energy: 1.2270409660435724
Energy: 1.0785804018446221
Energy: 1.164003057871393
Energy: 1.1931634539214708
Energy: 1.2166589325205641
Energy: 1.2355686457211776
Energy: 1.1925993068741678
Energy: 1.2463597882707218
Energy: 1.2334300583370568
Energy: 1.1573430845948312
Energy: 1.1545846626943712
Energy: 1.251862268977997
Energy: 1.1524234981819919
Energy: 1.1771913525553115
Energy: 1.2332282663602245
Energy: 1.2223514299644385
Energy: 1.2223583607481912
Energy: 1.236167665792793
Energy: 1.2089585249742751
Energy: 1.2293272583552912
Energy: 1.2663366084362995
Energy: 1.2588170351879928
Energy: 1.2578087374059224
Energy: 1.2493656452092485
Energy: 1.2265773582625787
Energy: 1.2571741595716925
Energy: 1.2857856259658569
Energy: 1.2275920208190938
Energy: 1.227416767187729
Energy: 1.2616477368782315
Energy: 1.2800072801749134
Energy: 1.2279973391896457
Energy: 1.3682254195534849
Energy: 1.316594776944794
Energy: 1.317645847851401
Energy: 1.1736562756571343
Energy: 1.325045837961016
Energy: 1.2854538692650685
Energy: 1.367954104554889
Energy: 1.3071467520472602
Energy: 1.3082133999505756
Energy: 1.1723318580643727
Energy: 1.3107813911133583
Energy: 1.285662292574044
Energy: 1.2238777189525158
Energy: 1.1474668336389393
Energy: 1.1936288075787598
Energy: 1.2417825180491135
Energy: 1.1389175288636333
Energy: 1.1970429407288248
Energy: 1.3410284592324386
Energy: 1.1523995347645983
Energy: 1.1506255110660248
Energy: 1.676049980553947
Energy: 1.1525878358418042
Energy: 1.1851957917435318
Energy: 1.3300177680200664
Energy: 1.2244807930571555
Energy: 1.2298220661943864
Energy: 1.235096263153927
Energy: 1.2258418079800772
Energy: 1.2288909531825893
Energy: 1.1970210690010625
Energy: 1.267893208160281
Energy: 1.2334567887786405
Energy: 1.152870797018479
Energy: 1.2787439889640009
Energy: 1.154570892352913
Energy: 1.327511051416441
Energy: 1.2256556745446745
Energy: 1.2354220874389903
Energy: 1.198371531313258
Energy: 1.2269476404300619
Energy: 1.2288178418535465
Energy: 1.3681647079227393
Energy: 1.2526346665176842
Energy: 1.2527680468979545
Energy: 1.2260113338417553
Energy: 1.253244425053643
Energy: 1.256880663480594
Energy: 1.3676892467741866
Energy: 1.2533782340957713
Energy: 1.264695969962044
Energy: 1.240673799461516
Energy: 1.263238053890554
Energy: 1.2130952513375757
Energy: 1.3819815321546305
Energy: 1.181738004330205
Energy: 1.2669087489616686
Energy: 1.3211214000129579
Energy: 1.127859339510301
Energy: 1.2318264106011176
Energy: 1.3717869695085618
Energy: 1.1747599844507064
Energy: 1.159501661664322
Energy: 1.2868170686592268
Energy: 1.1757585521394887
Energy: 1.3533173086989214
Energy: 1.395000755546572
Energy: 1.1365020400710548
Energy: 1.1666124719849478
Energy: 1.2343566508491157
Energy: 1.142653380758885
Energy: 1.1788641651365004
Energy: 1.4375653395509955
Energy: 2.0683084801596268
Energy: 1.1833094344325872
Energy: 1.126088859098789
Energy: 1.7896997340551408
Energy: 1.2067465457740059

minimum gb energy = 1.0783203353045587 eV
minimum distance =  2.23464821529996 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.9953053023395155
Energy: 1.938853299529777
Energy: 1.2236938020999668
Energy: 1.1700407642672985
Energy: 2.6426951390682385
Energy: 1.169082261396262
Energy: 1.1390888684739566
Energy: 1.149934354703685
Energy: 1.1381893442361273
Energy: 1.178652309961109
Energy: 1.137820517832508
Energy: 1.153918361183917
Energy: 1.1438718913807617
Energy: 1.1391955349426488
Energy: 1.1388836912732225
Energy: 1.2562888627726343
Energy: 1.139057120525599
Energy: 1.167961076234813
Energy: 1.142649218204747
Energy: 1.1385410179329378
Energy: 1.167631891286077
Energy: 1.1427949430474518
Energy: 1.138881847883532
Energy: 1.1446276049959123
Energy: 1.1252562851488366
Energy: 1.140667781628824
Energy: 1.1399203645301195
Energy: 1.1330920931753516
Energy: 1.140815342790922
Energy: 1.1394199152416176
Energy: 1.1245763699002305
Energy: 1.1406410016126058
Energy: 1.140762302321697
Energy: 1.1405750847684717
Energy: 1.1406344814784781
Energy: 1.140922506234348
Energy: 1.1173720991304066
Energy: 1.1250936866183137
Energy: 1.132310593522557
Energy: 1.1267293655012653
Energy: 1.12611327650649
Energy: 1.1354838744937361
Energy: 1.1635932280728731
Energy: 1.1454241544137935
Energy: 1.194641803089849
Energy: 1.1220251432172728
Energy: 1.1456198031848677
Energy: 1.1444739037063425
Energy: 1.1175611325908648
Energy: 1.144142717035327
Energy: 1.1434264172007205
Energy: 1.138856512345581
Energy: 1.1431066258137272
Energy: 1.144967259574499
Energy: 1.3472031935001207
Energy: 1.1412248001994454
Energy: 1.192830032695209
Energy: 1.1864660761982007
Energy: 1.1407621519214737
Energy: 1.1786890592521073
Energy: 1.1100779235940044
Energy: 1.1624011316871952
Energy: 1.1619774114090526
Energy: 1.1379039175598975
Energy: 1.1980559961329742
Energy: 1.1521402187566876
Energy: 1.25162466687302
Energy: 1.1439628774322153
Energy: 1.1674596265132446
Energy: 1.1501906537797524
Energy: 1.1440050884839228
Energy: 1.1673231542302642
Energy: 1.3357549457660802
Energy: 1.1428029048184327
Energy: 1.1427712922100834
Energy: 1.1389097252456108
Energy: 1.1886603724146079
Energy: 1.1445939492638184
Energy: 1.1102028669209971
Energy: 1.1512956372912218
Energy: 1.1511956883690821
Energy: 1.143093194060838
Energy: 1.1269077826746734
Energy: 1.1516800895364785
Energy: 1.1094375965943895
Energy: 1.134003949285253
Energy: 1.1538149893644265
Energy: 1.153913717946498
Energy: 1.1304430465986486
Energy: 1.133251031740468
Energy: 1.1053597017205232
Energy: 1.1399445037699834
Energy: 1.1210306620955852
Energy: 1.1050140119753067
Energy: 1.1390149566481471
Energy: 1.1258025587412188
Energy: 1.127980507674459
Energy: 1.1308087851648805
Energy: 1.130185675514584
Energy: 1.127823650417894
Energy: 1.1303897373102352
Energy: 1.129740655994691
Energy: 1.1282419662179077
Energy: 1.126947477819216
Energy: 1.1547464007967743
Energy: 1.1434290558988438
Energy: 1.1431234109012345
Energy: 1.1538794181400098
Energy: 1.118043108031717
Energy: 1.1293004158075601
Energy: 1.128212049641073
Energy: 1.1416868213616256
Energy: 1.200117314494046
Energy: 1.1672155862359852
Energy: 1.3989335150436863
Energy: 1.12752484670184
Energy: 1.1283841642445782
Energy: 1.1413141634930895
Energy: 1.1873354911689762
Energy: 1.167268549163849
Energy: 1.1286731251093016
Energy: 1.1575634036644615
Energy: 1.1274824866398294
Energy: 1.142944746182067
Energy: 1.1120128128426372
Energy: 1.1274599897457867
Energy: 1.260112023962694
Energy: 1.1451713681322624
Energy: 1.1451628643324614
Energy: 1.2599253541642663
Energy: 1.1042930412793386
Energy: 1.227025326121581
Energy: 1.146350043976638
Energy: 1.128669229965085
Energy: 1.1283317707704952
Energy: 1.109217967026876
Energy: 1.1298705096178077
Energy: 1.1576633686643292
Energy: 1.2232847538671598
Energy: 1.130570606577432
Energy: 1.1310390282557665
Energy: 1.1169085109199839
Energy: 1.2509078799266786
Energy: 1.1572362566730128
Energy: 1.2294658414754482
Energy: 1.1256664163527081
Energy: 1.128609683045768
Energy: 1.1548396612722769
Energy: 1.1250515299484303
Energy: 1.1553232534829478
Energy: 1.1914416577717513
Energy: 1.13037652125507
Energy: 1.1519921322514557
Energy: 1.1501248703328766
Energy: 1.1096329671127398
Energy: 1.1530947716360351
Energy: 1.1906449597856161
Energy: 1.1349577280065077
Energy: 1.1507181145267293
Energy: 1.1516981932500268
Energy: 1.1366674264956884
Energy: 1.1515227648343673
Energy: 1.1753892310685934
Energy: 1.1510500110655784
Energy: 1.1513998410973851
Energy: 1.1428268484982458
Energy: 1.1386346896085262
Energy: 1.134915820266632
Energy: 1.1735090899272471
Energy: 1.143069845296806
Energy: 1.1430044412435338
Energy: 1.1626906823692034
Energy: 1.1055560762159278
Energy: 1.1428796544834143
Energy: 1.14454991287988
Energy: 1.1359835088597445
Energy: 1.1530542632027032
Energy: 1.1681582590567627
Energy: 1.1378104471269952
Energy: 1.1247791473541395
Energy: 1.1046788236008025
Energy: 3.4784766723845673
Energy: 1.1335310649333583
Energy: 1.1487080140059407
Energy: 2.2765561340486817
Energy: 1.133502533258421

minimum gb energy = 1.1042930412793386 eV
minimum distance =  2.27028887179695 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.3028256894310728
Energy: 1.153499685660859
Energy: 1.1544769220887694
Energy: 1.0411065971501459
Energy: 1.8359750718368886
Energy: 1.154782939282786
Energy: 1.0352170975243002
Energy: 1.1536983839392496
Energy: 1.116524709869405
Energy: 1.1184727831955743
Energy: 1.151636844855081
Energy: 1.1234090427557764
Energy: 1.1168906859931524
Energy: 1.0818017401286035
Energy: 1.0833422550771588
Energy: 1.140562054303086
Energy: 1.0811843594535884
Energy: 1.11540167270145
Energy: 1.102265195694196
Energy: 1.110314741353208
Energy: 1.1129721838962305
Energy: 1.1031362010932035
Energy: 1.1117921120167953
Energy: 1.09776202162375
Energy: 1.1112523635842364
Energy: 1.118369575268293
Energy: 1.1183551914256213
Energy: 1.0939687769937627
Energy: 1.1178186710703646
Energy: 1.1174839322568004
Energy: 1.0358405591444115
Energy: 1.1166313433679045
Energy: 1.1230882215990536
Energy: 1.1218676908154355
Energy: 1.1166479166275605
Energy: 1.1171741460480968
Energy: 1.1174579760409933
Energy: 1.1031940504641957
Energy: 1.1025996167355163
Energy: 1.0968776849488422
Energy: 1.1041758192876403
Energy: 1.1165912383467644
Energy: 1.1125724044017555
Energy: 1.139577752086049
Energy: 1.1444335082500616
Energy: 1.0982360809905911
Energy: 1.1384758915040907
Energy: 1.144425147563563
Energy: 1.1168181101874433
Energy: 1.1672585110122655
Energy: 1.1601734841155587
Energy: 1.1175150104809302
Energy: 1.1624641125042252
Energy: 1.138892564066147
Energy: 1.3227033072108123
Energy: 1.1360106004777326
Energy: 1.136079950767828
Energy: 1.2278540479435565
Energy: 1.136171278823083
Energy: 1.1194306845703696
Energy: 1.1131773502878508
Energy: 1.1355736152249742
Energy: 1.1643296242438022
Energy: 1.1637960049973668
Energy: 1.118004864261251
Energy: 1.1590053741546418
Energy: 1.0364823982205382
Energy: 1.1594107112297185
Energy: 1.1582493798948494
Energy: 1.0796622488521854
Energy: 1.1596757443177568
Energy: 1.190437481713419
Energy: 1.035991163349297
Energy: 1.8613800192794698
Energy: 1.1796016205342092
Energy: 1.1913714847831371
Energy: 1.15928925575269
Energy: 1.1934998550718718
Energy: 1.206461077333595
Energy: 1.1241951762733515
Energy: 1.1232543584275665
Energy: 1.1525301662723815
Energy: 1.1543004710618663
Energy: 1.1175884071074613
Energy: 1.1146954618746427
Energy: 1.0365271385581454
Energy: 1.0376781881881179
Energy: 1.1456660755706198
Energy: 1.0363306732086541
Energy: 1.0365306991475642
Energy: 1.1036487527781251
Energy: 1.1159366223920772
Energy: 1.0911886534753663
Energy: 1.1049747887404944
Energy: 1.1141065481132588
Energy: 1.0934724375466827
Energy: 1.1183178000980327
Energy: 1.1174745342579298
Energy: 1.1165380328211
Energy: 1.0965965036215066
Energy: 1.1172160330057366
Energy: 1.1161272282807986
Energy: 1.1113040470391693
Energy: 1.117799554687954
Energy: 1.1173677483581625
Energy: 1.118356663205311
Energy: 1.0933046683493848
Energy: 1.1171354510230533
Energy: 1.1177691332685327
Energy: 1.1584109356652244
Energy: 1.159070692246187
Energy: 1.1146666223016395
Energy: 1.1167152819979074
Energy: 1.1585613698450377
Energy: 1.1178097574896042
Energy: 1.1609513982975712
Energy: 1.1548633398079942
Energy: 1.1415976201874265
Energy: 1.1587128397079651
Energy: 1.1618218936354812
Energy: 1.1177071233984837
Energy: 1.1662922288290143
Energy: 1.1360855311178957
Energy: 1.1181526625611644
Energy: 1.163081416123991
Energy: 1.1233011384309306
Energy: 1.3064001029189007
Energy: 1.0991221859659117
Energy: 1.1351735654884079
Energy: 1.2252270900022662
Energy: 1.0982757310533988
Energy: 1.0978460725680916
Energy: 1.2072432645903135
Energy: 1.1649988466028531
Energy: 1.164596006015515
Energy: 1.1177474428326717
Energy: 1.1635363715334044
Energy: 1.123419916037477
Energy: 1.036102558263154
Energy: 2.004487166064037
Energy: 1.179106941958339
Energy: 1.1909134575099163
Energy: 1.1416433087964708
Energy: 1.1952177076807504

minimum gb energy = 1.0352170975243002 eV
minimum distance =  2.32661493855399 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.275447309515942
Energy: 1.2483055629718398
Energy: 1.2458553186295596
Energy: 1.0509070415015163
Energy: 2.1254179901999106
Energy: 1.0502392549238304
Energy: 0.9995562840617161
Energy: 1.148224222800988
Energy: 1.0904154869689844
Energy: 1.1064628063678383
Energy: 1.1332463536353456
Energy: 1.0909505343064194
Energy: 1.1174018157363923
Energy: 1.0815588652120829
Energy: 1.0835792089872074
Energy: 1.1039649051229445
Energy: 1.0806382805877939
Energy: 1.0278266649789372
Energy: 1.1205077755193982
Energy: 1.0809290226403188
Energy: 1.0455711102164296
Energy: 1.1229052941124202
Energy: 1.05559437793532
Energy: 1.103840593265721
Energy: 0.9844758392965758
Energy: 1.0504973678206408
Energy: 1.0491779155186978
Energy: 0.985317452224176
Energy: 1.0428337398080916
Energy: 1.0487021242421408
Energy: 1.0004083510368225
Energy: 1.0502835438862654
Energy: 1.0479285856444214
Energy: 1.016722171717637
Energy: 0.9716417908616148
Energy: 1.0154686186893085
Energy: 0.9848371953957875
Energy: 0.9705241577270138
Energy: 1.0009048718750821
Energy: 1.017998788064456
Energy: 0.9710453511487145
Energy: 0.9978424853364374
Energy: 0.9724313897585473
Energy: 1.022667766084198
Energy: 1.0205033094898734
Energy: 1.0228150478479008
Energy: 1.021880045652823
Energy: 1.0396194155371667
Energy: 0.9742261536554664
Energy: 1.0211122426870973
Energy: 1.0200506610938935
Energy: 0.9709430423691127
Energy: 1.0203143654808935
Energy: 0.9975770614060094
Energy: 0.971990552428518
Energy: 1.0487508018216998
Energy: 1.0483502687570918
Energy: 0.9712128773512168
Energy: 1.0487436057449357
Energy: 1.0177137628905877
Energy: 0.9715341209922614
Energy: 1.048313720871816
Energy: 1.0488431480197828
Energy: 1.0167866687315321
Energy: 1.0675464372526084
Energy: 1.0501025309310503
Energy: 1.103029463581778
Energy: 1.1040763973010708
Energy: 1.1039744990976872
Energy: 1.0506277744820303
Energy: 1.103695994466884
Energy: 1.1039842876660968
Energy: 1.1021229823872685
Energy: 1.1359984042028397
Energy: 1.1355861891275425
Energy: 1.0167210879413358
Energy: 1.1338163351637682
Energy: 1.1355879623018377
Energy: 1.1199364585665355
Energy: 1.1472445479946287
Energy: 1.1447919438131229
Energy: 1.1070450161780492
Energy: 1.10602003934529
Energy: 1.090404702803713
Energy: 1.1996074194316968
Energy: 1.1307650822782693
Energy: 1.1302156345299725
Energy: 1.144424486184054
Energy: 1.1305667762284928
Energy: 1.177356433537692
Energy: 1.1926374081588693
Energy: 1.1641287642274385
Energy: 1.0959959200416034
Energy: 1.1058600082418988
Energy: 1.826861018285872
Energy: 1.1469037688625434
Energy: 1.0891023405414213
Energy: 1.6572947264352769
Energy: 1.2058260040834887
Energy: 1.000819531495547
Energy: 1.1333685951920756
Energy: 1.2054992876114

minimum gb energy = 0.9705241577270138 eV
minimum distance =  2.28902042335349 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.8976182250918165
Energy: 1.207524558663681
Energy: 1.0220302602280757
Energy: 1.0206953693418153
Energy: 2.079940966536314
Energy: 1.0221920207725526
Energy: 0.9832099937979928
Energy: 1.102557071267077
Energy: 0.9918076120540721
Energy: 1.6638420993577734
Energy: 1.0803684569083942
Energy: 1.0316865006844098
Energy: 1.3003879035113561
Energy: 0.9572017332325462
Energy: 1.006789386267045
Energy: 1.0799664982412338
Energy: 0.9572332164978524
Energy: 0.985166817017811
Energy: 1.0836355649425973
Energy: 1.0063253541213961
Energy: 1.00718842328989
Energy: 1.0831604581048846
Energy: 0.9591343743365673
Energy: 0.9846039068412833
Energy: 0.9524897896021175
Energy: 0.9762554148044643
Energy: 0.993466561795246
Energy: 0.9532413745069845
Energy: 0.9733406874835274
Energy: 0.9947020381979403
Energy: 0.8650812664230106
Energy: 0.9378895524767054
Energy: 0.9540031856046157
Energy: 0.9568041664532264
Energy: 0.9392431919177459
Energy: 0.9548126080514506
Energy: 0.8775158316153904
Energy: 0.9388549213955859
Energy: 0.9396975646884117
Energy: 0.9129306801346659
Energy: 0.942047386186784
Energy: 0.9429073933023923
Energy: 0.8770154625556458
Energy: 0.9326089026239655
Energy: 0.9445206853985817
Energy: 0.9576948658458511
Energy: 0.9325313470804582
Energy: 0.9446473509768322
Energy: 0.8788345248423772
Energy: 0.942653816207059
Energy: 0.9171779793604734
Energy: 0.8803878743860174
Energy: 0.9128169848523655
Energy: 0.8781896558385515
Energy: 0.8778643895001136
Energy: 0.9370188718376125
Energy: 0.9381461619078406
Energy: 0.877471750718585
Energy: 0.9358042444401785
Energy: 0.9380234328614665
Energy: 0.891205661010134
Energy: 0.9200781265247239
Energy: 0.9363023441590197
Energy: 0.93596734878338
Energy: 0.8772052397763347
Energy: 0.9361489663764437
Energy: 0.8802440067766552
Energy: 0.8784187094056564
Energy: 0.8778851074709533
Energy: 0.8812949936637693
Energy: 0.8839478884153094
Energy: 0.9190702119252347
Energy: 0.8773106409355743
Energy: 0.94620454086551
Energy: 0.9447980825047559
Energy: 0.9437594839926094
Energy: 0.9224934898766408
Energy: 0.9433719531645417
Energy: 0.9400760108608782
Energy: 0.9520550117255221
Energy: 0.9506354803423307
Energy: 0.9393052028679331
Energy: 0.945112899711063
Energy: 0.9379481567181743
Energy: 0.9390030373609171
Energy: 0.9471894836237666
Energy: 0.9459520109036202
Energy: 0.9384304503935401
Energy: 0.9477855940828174
Energy: 1.0015178133735352
Energy: 0.942542178347186
Energy: 0.9930228011082578
Energy: 0.9914219924742815
Energy: 0.9734727610787975
Energy: 0.9890009572475037
Energy: 0.9747226718417744
Energy: 0.8792529380295802
Energy: 1.0804355046335803
Energy: 1.0801240329363067
Energy: 0.9147304394143093
Energy: 1.0800248445654508
Energy: 0.9378129688710204
Energy: 0.8789211235295594
Energy: 1.0919866961411573
Energy: 1.0904393353387245
Energy: 0.9772304855023588
Energy: 1.0805040402300465
Energy: 0.9739633841319547
Energy: 1.0966281751323341
Energy: 1.0800590633451945
Energy: 1.0301735662525457
Energy: 1.080760389747325
Energy: 0.9874100786033412
Energy: 1.0387261146289848
Energy: 1.2373245394812271
Energy: 0.9763736156368932
Energy: 0.9782874629918411
Energy: 1.1143609853288854
Energy: 0.9760261748926331
Energy: 1.0837348497759298
Energy: 1.2125410966033154
Energy: 1.0583558602106322
Energy: 1.0854200821422628
Energy: 1.0829569081830548
Energy: 1.079792024466338
Energy: 1.0286751563235863
Energy: 0.8912836195462684
Energy: 2.226258467816411
Energy: 1.1727944945680133
Energy: 0.9861055452802021
Energy: 1.6659326135225976
Energy: 0.9859067195984916
Energy: 0.8958592602328446
Energy: 1.103246767750806
Energy: 1.9985904673246078
Energy: 0.9291217758934505
Energy: 1.1031604598899174
Energy: 1.1544711568846329
Energy: 1.3250097233391835
Energy: 1.0086164113516787
Energy: 1.9810843054946126
Energy: 1.081536817457841
Energy: 0.9547704018910357
Energy: 1.492889398023042
Energy: 1.0805730176543622
Energy: 0.9587854841708311
Energy: 1.007241521637455
Energy: 1.0802880386067735
Energy: 0.9596452146118145
Energy: 0.9869990375356091
Energy: 0.9558590288503529
Energy: 0.9778612431507848
Energy: 0.9917124065559433
Energy: 0.9559130850605941
Energy: 0.9758715223358999
Energy: 0.9952756305943392
Energy: 0.8636539340104555
Energy: 0.9830658578488465
Energy: 0.9831036418079255
Energy: 0.9563541362505719
Energy: 0.9946308253425572
Energy: 0.9548034489799047
Energy: 0.8615900606484294
Energy: 0.9390563185683605
Energy: 0.9386611897419643
Energy: 0.8619710060716402
Energy: 0.9409970680384039
Energy: 0.9385269002673191
Energy: 0.8772562700602753
Energy: 0.9453362267368843
Energy: 0.9461599003051306
Energy: 0.9543077513018996
Energy: 0.9403714871810798
Energy: 0.9453159724281874
Energy: 0.8786165066131209
Energy: 0.9321296338700165
Energy: 0.9435522505320543
Energy: 0.8782487933774336
Energy: 0.9322055017096303
Energy: 0.9431128440484872
Energy: 0.8836765646801243
Energy: 0.9392337013343101
Energy: 0.9382517937660222
Energy: 0.885095081552956
Energy: 0.9362068180004506
Energy: 0.9152694535537998
Energy: 0.8908650682491799
Energy: 0.9401191954328727
Energy: 0.9397089468246947
Energy: 0.9466182087461772
Energy: 0.936790798885946
Energy: 0.9402343720579812
Energy: 0.973470353704804
Energy: 0.8776780047720624
Energy: 0.8781494531295455
Energy: 0.9735383496543275
Energy: 0.8792169162251148
Energy: 0.8779282980405109
Energy: 0.9751417068750391
Energy: 0.9427707943219921
Energy: 0.9586577463063216
Energy: 0.9514453893132276
Energy: 0.9196932898871059
Energy: 0.9485306383609371
Energy: 0.9470121455108811
Energy: 0.9476672840719129
Energy: 0.9475174227441633
Energy: 0.9383719466472841
Energy: 0.9492667000897373
Energy: 0.9489761696076324
Energy: 0.9391795356344392
Energy: 0.9451358388526498
Energy: 0.9832640019283863
Energy: 0.9393454602502547
Energy: 0.9452068450424919
Energy: 0.9746619321253639
Energy: 0.9390866447793785
Energy: 0.9906593052724543
Energy: 0.9914780333755607
Energy: 0.9783546759536289
Energy: 1.0088548976773686
Energy: 0.9763444552218014
Energy: 0.875990450400927
Energy: 1.0798332208949253
Energy: 1.079948440751408
Energy: 0.969632738677196
Energy: 1.0827884217145525
Energy: 0.9778324149897576
Energy: 0.8787575167236131
Energy: 1.0925426045309174
Energy: 0.9754080285884882
Energy: 0.9744151962727814
Energy: 1.1086947059834298
Energy: 0.9762500077001502
Energy: 0.9380807907482053
Energy: 1.0712565704726422
Energy: 1.0770920780505093
Energy: 0.954759280094528
Energy: 1.0844624786884187
Energy: 1.02912586210686
Energy: 1.1130125809214606
Energy: 0.9797759052760862
Energy: 1.0789867341247643
Energy: 1.1069891192534762
Energy: 0.9756785742668925
Energy: 1.0796738425664472
Energy: 1.3166965191956082
Energy: 1.0297925035261553
Energy: 1.0915658208087817
Energy: 1.0822558578295018
Energy: 1.0077554311199903
Energy: 2.174137180353229
Energy: 0.8979842742720996
Energy: 1.1060007394522884
Energy: 1.0904268888863613
Energy: 0.9294080466890606
Energy: 1.1109945486877733
Energy: 1.1524952360225345

minimum gb energy = 0.8615900606484294 eV
minimum distance =  2.27392285660575 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.0013177580750257
Energy: 1.1529802310757742
Energy: 0.9929633012386911
Energy: 0.97005952790574
Energy: 2.053786958722187
Energy: 1.0343266007765508
Energy: 0.9588879713948659
Energy: 0.9508947709185889
Energy: 0.9422236917587916
Energy: 1.9707503352074358
Energy: 1.0494408387601715
Energy: 0.9890319162092637
Energy: 1.2294076974603956
Energy: 0.9058559730781153
Energy: 0.9108690618202554
Energy: 1.0495037553524476
Energy: 0.9060816811464963
Energy: 0.9621859341164923
Energy: 1.0457863193841805
Energy: 0.905401152589364
Energy: 0.974857496942283
Energy: 1.0469511335285862
Energy: 0.9035068554379541
Energy: 0.9592529381843554
Energy: 0.900465897073068
Energy: 0.9352992925123013
Energy: 0.9436148812620494
Energy: 0.9014068194737138
Energy: 0.9144905784973201
Energy: 0.9431378235667958
Energy: 0.8003368725376776
Energy: 0.9115483674598754
Energy: 0.9044636852813911
Energy: 0.8746915243749481
Energy: 0.9120267682487772
Energy: 0.904774078433208
Energy: 0.8392518639563935
Energy: 0.9130180481214434
Energy: 0.9168004524257676
Energy: 0.9033842036846009
Energy: 0.9177288949187434
Energy: 0.8998587012527813
Energy: 0.8415814549528761
Energy: 0.8703701905081149
Energy: 0.870428561655141
Energy: 0.8792807312871954
Energy: 0.8700764535856094
Energy: 0.8876109329458383
Energy: 0.8437045805250735
Energy: 0.8870728916105403
Energy: 0.8405240637419815
Energy: 0.8445386874253856
Energy: 0.8475950606842713
Energy: 0.8399198817910767
Energy: 0.8396971703584939
Energy: 0.8928887627083204
Energy: 0.8751650653749189
Energy: 0.8399214032631304
Energy: 0.8907558273958659
Energy: 0.8763540951378997
Energy: 0.8152819244378143
Energy: 0.8074046590621806
Energy: 0.8749948850466808
Energy: 0.865865123788258
Energy: 0.8081741771476931
Energy: 0.8660280832145568
Energy: 0.9036698945994507
Energy: 0.8170536402341797
Energy: 0.8076953973346561
Energy: 0.9057533631001407
Energy: 0.8150176786769104
Energy: 0.8463576960489572
Energy: 0.8069057770474453
Energy: 0.9095233055921622
Energy: 0.9060705294447485
Energy: 0.8672797084075715
Energy: 0.9076718806312732
Energy: 0.8873339108306724
Energy: 0.8086586267597989
Energy: 0.86780605371346
Energy: 0.8067990682034946
Energy: 0.810794775773962
Energy: 0.8915656761243407
Energy: 0.8075948753122492
Energy: 0.8080184358934746
Energy: 0.8704085749922671
Energy: 0.8687523988698568
Energy: 0.8074521440101722
Energy: 0.8952236803448056
Energy: 0.8665079852425833
Energy: 0.9129083213859879
Energy: 0.8393994850025527
Energy: 0.8740611387799191
Energy: 0.8737580957551292
Energy: 0.8526019514103651
Energy: 0.8721537440452996
Energy: 0.8101352346368195
Energy: 0.8402452808300243
Energy: 0.8399483163381991
Energy: 0.8714794413620045
Energy: 0.849024902024652
Energy: 0.8961028076375098
Energy: 0.8110114533971227
Energy: 0.8799649252967737
Energy: 0.8965246175163736
Energy: 0.8567071013639642
Energy: 0.8771200104357939
Energy: 0.8995693773093167
Energy: 0.9121753672319968
Energy: 0.9017532554946364
Energy: 0.9036282694886001
Energy: 0.9137303167171155
Energy: 0.8894928619006266
Energy: 0.9121030088321986
Energy: 0.9104641389360656
Energy: 0.8913105708409043
Energy: 0.8913775032577169
Energy: 0.9108704172204628
Energy: 0.8920310449373281
Energy: 0.9446214076365016
Energy: 1.0506910700872132
Energy: 0.9399037215081332
Energy: 0.9415615904081106
Energy: 0.9347689403099084
Energy: 0.9379194043605154
Energy: 0.9577418590934802
Energy: 0.8084240831093331
Energy: 1.0423637878005136
Energy: 0.9115192963947049
Energy: 0.8906697481834389
Energy: 1.0534679219844618
Energy: 0.9505258525076785
Energy: 0.8454965825801468
Energy: 1.0675314401529632
Energy: 1.0234172358390397
Energy: 0.8463618680302291
Energy: 1.047101263083538
Energy: 1.4684753906036292
Energy: 1.1535695165137432
Energy: 0.9352471173166166
Energy: 2.0009507087257834
Energy: 1.0333882935515433
Energy: 0.9492184672508331
Energy: 0.9573632518816323
Energy: 1.2329486602952608
Energy: 0.9340943850046862
Energy: 0.9343013397070932
Energy: 1.0416984459108283
Energy: 0.9339735795556445
Energy: 1.0615885097646898
Energy: 1.2448146592370282
Energy: 1.039601805086856
Energy: 1.0521109135927327
Energy: 1.0481409536007094
Energy: 1.0209541667461306
Energy: 1.0015440325408123
Energy: 0.8151253402661377
Energy: 3.2724990109496774
Energy: 0.9607229205143885
Energy: 0.8648877948921541
Energy: 1.9239298009967791
Energy: 0.9604808065722793

minimum gb energy = 0.8003368725376776 eV
minimum distance =  2.27484257888188 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.7099569540607676
Energy: 1.734041353203901
Energy: 0.9268357791687595
Energy: 0.8341474129846722
Energy: 1.9761882185766786
Energy: 0.869333456211714
Energy: 2.0303202804672944
Energy: 0.8304716037901124
Energy: 0.8158520327550731
Energy: 1.9830788932015342
Energy: 0.8258032084051858
Energy: 0.8126292689516003
Energy: 1.0665189297268904
Energy: 0.7681595173869016
Energy: 0.7965747751419829
Energy: 0.9232194486650674
Energy: 0.7677377735756985
Energy: 0.7966517013619036
Energy: 0.9242935892163807
Energy: 0.7972539402152982
Energy: 0.796863470583108
Energy: 0.8273056861334621
Energy: 0.7862944538019192
Energy: 0.8522043047649556
Energy: 0.7335225143940338
Energy: 0.8126899430445084
Energy: 0.8147971857779863
Energy: 0.7335032473846492
Energy: 0.8249410828657803
Energy: 0.8129306058645805
Energy: 0.8517420808527028
Energy: 1.7433791884368424
Energy: 0.7897328377341365
Energy: 0.7476853341492834
Energy: 0.8209416344716969
Energy: 0.7636757715104454
Energy: 1.0029717281141648
Energy: 0.8217540328265349
Energy: 0.8650978711524066
Energy: 0.77290368649287
Energy: 0.8217081546652081
Energy: 0.77184286545141
Energy: 0.9738408204959007
Energy: 0.7447054222715541
Energy: 0.7569158403009221
Energy: 0.772144540807326
Energy: 0.7422850513067678
Energy: 0.7564636752047038
Energy: 0.761198476220629
Energy: 0.756186468090684
Energy: 0.7588542522672884
Energy: 0.7635169702745683
Energy: 0.7029408483211028
Energy: 0.7576558760990704
Energy: 0.8009034696189079
Energy: 0.747681917025177
Energy: 0.7482815641863317
Energy: 0.8032451242733459
Energy: 0.747212133043437
Energy: 0.7481233589877793
Energy: 0.682355712081674
Energy: 0.7183028854140223
Energy: 0.747085305689571
Energy: 0.763142811412032
Energy: 0.7182276344294406
Energy: 0.740399460126546
Energy: 0.7577262659424333
Energy: 0.7184643349848905
Energy: 0.7195744670617045
Energy: 0.7507899143739988
Energy: 0.7192938288962333
Energy: 0.75218278450827
Energy: 0.6961431496652668
Energy: 0.7600013467189168
Energy: 0.7687769643658474
Energy: 0.764318894944304
Energy: 0.7592537488941258
Energy: 0.7703641283482063
Energy: 0.6958175435519504
Energy: 0.7356333471333223
Energy: 0.695148959439497
Energy: 0.6978719738198398
Energy: 0.8166039179958771
Energy: 0.6954356475240298
Energy: 0.6951698698760883
Energy: 0.7313906073914417
Energy: 0.7303958503483751
Energy: 0.6951645038452396
Energy: 0.7315837585009726
Energy: 0.7369591033785775
Energy: 0.6887967156252298
Energy: 0.6846099926314656
Energy: 0.6847484105887485
Energy: 0.7313932320692579
Energy: 0.6848370623767253
Energy: 0.7438297804975089
Energy: 0.699507698698726
Energy: 0.6848116500107162
Energy: 0.684477318334321
Energy: 0.7401081155094114
Energy: 0.6847583647764477
Energy: 0.7342180153130614
Energy: 0.6838335792295359
Energy: 0.7559617988565585
Energy: 0.7555935839291119
Energy: 0.6845930840517144
Energy: 0.7535678835676342
Energy: 0.7439671225733115
Energy: 0.684823279503839
Energy: 0.7773989221424806
Energy: 0.6846307687886047
Energy: 0.6861596989000481
Energy: 0.8103961326785025
Energy: 0.6848073426787297
Energy: 0.684098869457504
Energy: 0.7566725913388502
Energy: 0.7604360639446669
Energy: 0.6845837066298973
Energy: 0.7568960435180861
Energy: 0.7582052688363027
Energy: 0.7227244520316246
Energy: 0.6955698725203813
Energy: 0.6952522431409839
Energy: 0.7416744411015848
Energy: 0.6957271713147518
Energy: 0.742259265263433
Energy: 0.6901629555871651
Energy: 0.6954238066115844
Energy: 0.6957589764931238
Energy: 0.734329938985162
Energy: 0.6954334019908052
Energy: 0.7345859264543279
Energy: 0.718341964888943
Energy: 0.7364697865395898
Energy: 0.7361363164207346
Energy: 0.7195867796511322
Energy: 0.724788577113445
Energy: 0.7366114077251247
Energy: 0.7190721448245255
Energy: 0.7559709187332352
Energy: 0.718288432399073
Energy: 0.7214580648701048
Energy: 0.7651389209084904
Energy: 0.7185071326675107
Energy: 0.9455607660642206
Energy: 0.7530826130148071
Energy: 0.7681104242097145
Energy: 0.747282724802532
Energy: 0.7525737502662021
Energy: 0.7683861102122583
Energy: 0.8265828709899232
Energy: 0.7577718226046827
Energy: 0.759391284691784
Energy: 0.757536786825896
Energy: 0.7580817492240794
Energy: 0.7587847984245237
Energy: 0.6854183813136386
Energy: 0.757693118006591
Energy: 0.7714485805582174
Energy: 0.7569846997156341
Energy: 0.7576174934899814
Energy: 0.7505844815125176
Energy: 0.7585714378378452
Energy: 0.7730614921091242
Energy: 0.7743155558487395
Energy: 0.718201221044641
Energy: 0.7725105414467833
Energy: 0.7713907130173594
Energy: 0.8243180205403423
Energy: 0.7752734034790632
Energy: 0.8216062706184104
Energy: 0.8263545589230958
Energy: 0.718192355548521
Energy: 0.8210749524014561
Energy: 1.009207058324594
Energy: 0.7571164084919472
Energy: 0.7762125002648403
Energy: 0.8217227592854929
Energy: 0.7565855442716023
Energy: 0.7761436783764828
Energy: 1.0351971300335607
Energy: 0.8262811149819939
Energy: 0.8668617504037036
Energy: 0.8262303713434268
Energy: 0.8261478347761387
Energy: 0.8151733760530392
Energy: 0.8615391923098131
Energy: 1.873331463174728
Energy: 0.8152734025394021
Energy: 0.7643647323552342
Energy: 0.9229855556695129
Energy: 0.7952817962602762
Energy: 0.757527441345959
Energy: 0.8608531654653084
Energy: 0.8638561635693618
Energy: 0.7844706002500162
Energy: 0.8825810077297732
Energy: 0.8614888339408941
Energy: 1.0079631200888144
Energy: 0.8275367428265207
Energy: 0.8212331860198123
Energy: 0.8276503029505133
Energy: 0.8267987827697251
Energy: 0.8722353315663502
Energy: 1.0660344737614407
Energy: 0.8020657560328182
Energy: 0.8397370879739565
Energy: 0.9233244924115974
Energy: 0.8009557507367921
Energy: 0.8322884948431267
Energy: 1.9216148401823376
Energy: 0.8600174749629051
Energy: 0.8630474299908556
Energy: 2.34172234544938
Energy: 0.8710676859129852
Energy: 0.8140603568260304

minimum gb energy = 0.682355712081674 eV
minimum distance =  2.33095708282293 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.086681938756292
Energy: 0.5646339653907043
Energy: 0.0876415955553691
Energy: 0.08953947415529132
Energy: 1.2515523069428145
Energy: 0.08741944186190455
Energy: 0.13824000715099813
Energy: 0.08855002889271174
Energy: 1.1214498601152434
Energy: 1.4508921680784435
Energy: 0.09098196822046649
Energy: 1.0386069346931255
Energy: 0.13783827566636728
Energy: 0.08732695844611334
Energy: 0.08725448169668824
Energy: 1.3547606791441746
Energy: 0.08716989467968185
Energy: 0.13705930488918408
Energy: 0.09157868546892844
Energy: 0.08732006547950875
Energy: 0.087405966199453
Energy: 1.1176870942907438
Energy: 0.08719134560204748
Energy: 0.13774342886536012
Energy: 0.13711717131531737
Energy: 1.5452258530855119
Energy: 1.2255163620662837
Energy: 0.13835799107156735
Energy: 0.13730605496706078
Energy: 1.1345334843462114
Energy: 0.0880845883976208
Energy: 1.0002992616557222
Energy: 0.0871818781830692
Energy: 0.09009089902570039
Energy: 1.0669014740973959
Energy: 0.08759201777309197
Energy: 1.2510197934739735
Energy: 0.08838354416767559
Energy: 0.08846427242698104
Energy: 1.1661257820205548
Energy: 0.9814314083338932
Energy: 1.1965420407073692
Energy: 0.13798765126480436
Energy: 0.08744803108576524
Energy: 0.08748410687626625
Energy: 1.1771515321846533
Energy: 0.08723960124523408
Energy: 0.13972728912556076
Energy: 0.0897073616616741
Energy: 0.0874686380562927
Energy: 0.1388439795321556
Energy: 0.887850313642115
Energy: 0.08739297691596888
Energy: 0.13976160870582557
Energy: 0.08779442781178116
Energy: 1.2991065041185885
Energy: 1.1463076332546904
Energy: 0.08761719358911324
Energy: 1.6884779755054895
Energy: 1.3362986122744847

minimum gb energy = 0.086681938756292 eV
minimum distance =  0.000305350820281741 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.9093328336187437
Energy: 1.8298039017062997
Energy: 0.8820818681415887
Energy: 0.7326664079570269
Energy: 2.1643782643303515
Energy: 0.8100101593520724
Energy: 1.5117695004783052
Energy: 0.905404352642075
Energy: 0.9075425956507489
Energy: 0.8347144596988292
Energy: 0.9100635361546986
Energy: 0.9064698435349328
Energy: 0.9098708879416462
Energy: 0.8095974923623362
Energy: 0.8093916108282062
Energy: 0.8888356629314779
Energy: 0.8337302138285688
Energy: 0.873580725552471
Energy: 0.8376418357960413
Energy: 0.8342614374971359
Energy: 0.8104198157657572
Energy: 0.837391997952985
Energy: 0.7507290863944706
Energy: 0.8912901216908793
Energy: 0.7602325617140646
Energy: 0.924909447401134
Energy: 0.9235531095020634
Energy: 0.7600170769190798
Energy: 0.9094619032659632
Energy: 0.9115023381303993
Energy: 0.792644021912297
Energy: 1.7244990951923058
Energy: 0.8236659594200093
Energy: 0.709010467013025
Energy: 0.9041384567920489
Energy: 0.7533133087833389
Energy: 0.8356487736962712
Energy: 0.7702564763264882
Energy: 0.7734229010023029
Energy: 0.8371452177713006
Energy: 0.7707539436786777
Energy: 0.8388998216736924
Energy: 0.8377389085941537
Energy: 0.7647077153984021
Energy: 0.7639830792339204
Energy: 0.8378218056832822
Energy: 0.675268841549327
Energy: 0.7627462130302305
Energy: 0.8912763234125036
Energy: 0.7991890494477362
Energy: 0.852897868293295
Energy: 0.8577840619018736
Energy: 0.7106681783686509
Energy: 0.8506472007961016
Energy: 0.717428864999983
Energy: 0.7704827223116324
Energy: 0.7701947707495302
Energy: 0.7172410170181874
Energy: 0.775878398087451
Energy: 0.7735581850404107
Energy: 0.8505737146138364
Energy: 0.7728658804265792
Energy: 0.7725969458737149
Energy: 0.6822854476247853
Energy: 0.8573903285393965
Energy: 0.7129957336210985
Energy: 0.7168087553336463
Energy: 0.7738371683011346
Energy: 0.7737414855463615
Energy: 0.7168208508385007
Energy: 0.773396461663181
Energy: 0.7164408455814898
Energy: 0.7182067744196622
Energy: 0.6797227876161961
Energy: 0.7214865280362069
Energy: 0.7183342943327536
Energy: 0.662177672128714
Energy: 0.718669434665962
Energy: 0.8393758834367083
Energy: 0.6830575156664638
Energy: 0.7202487953321559
Energy: 0.7219081601796951
Energy: 0.6823626324923271
Energy: 0.720488518232837
Energy: 0.8384429519346313
Energy: 0.6820893598628676
Energy: 0.6819374761103105
Energy: 0.8382507350831024
Energy: 0.6852842157269654
Energy: 0.6819831440334823
Energy: 0.8365379143757667
Energy: 0.6838437002151916
Energy: 0.7535711374573748
Energy: 0.6651221013595654
Energy: 0.8267247090158535
Energy: 0.7515440861055911
Energy: 0.6647260787986172
Energy: 0.6840900420247669
Energy: 0.7415451573971226
Energy: 0.6645744052736675
Energy: 0.6839023298045043
Energy: 0.6641717201192054
Energy: 0.6650151439754624
Energy: 0.792841861695513
Energy: 0.8175901864993614
Energy: 0.6650672522773592
Energy: 0.6647670482488709
Energy: 0.665602170758846
Energy: 0.8245075780812938
Energy: 0.6656763682211829
Energy: 0.8053006053508959
Energy: 0.6693603687136013
Energy: 0.6654003846836406
Energy: 0.7925996822210538
Energy: 0.8324235377414614
Energy: 0.6646539890104154
Energy: 0.6644799239685392
Energy: 0.833838567670283
Energy: 0.6714372699010928
Energy: 0.6647161284919294
Energy: 0.8340434460901847
Energy: 0.8009242861318359
Energy: 0.7999091346425097
Energy: 0.6836421335195543
Energy: 0.8012189672591944
Energy: 0.7981516803573963
Energy: 0.6849281980358812
Energy: 0.801381065983922
Energy: 0.6848343179278665
Energy: 0.6825637345455384
Energy: 0.8007512037861682
Energy: 0.6820392264264917
Energy: 0.6820035269186133
Energy: 0.8300297090929654
Energy: 0.8309721922787935
Energy: 0.6818486240866283
Energy: 0.7198642134821805
Energy: 0.7223826178504086
Energy: 0.8399327893110518
Energy: 0.7183471291721628
Energy: 0.7187363354796591
Energy: 0.6678256566923308
Energy: 0.7185737063505098
Energy: 0.6943301830774145
Energy: 0.7680284536959656
Energy: 0.7169769442428774
Energy: 0.7168492394950172
Energy: 0.7702642499224754
Energy: 0.7175687800326108
Energy: 0.7173058432632987
Energy: 0.8611249209712615
Energy: 0.7394937737825649
Energy: 0.7386772620148583
Energy: 0.8577159431100384
Energy: 0.713725173654356
Energy: 0.7731461773878994
Energy: 0.7749350601633085
Energy: 0.7399484067960755
Energy: 0.7395849929459621
Energy: 0.7747663475441272
Energy: 0.8666329063728352
Energy: 0.7717145805094778
Energy: 0.7352872386632555
Energy: 0.8939689697994354
Energy: 0.8881370182809194
Energy: 0.7353619237921104
Energy: 0.8906747186779165
Energy: 0.85460825878825
Energy: 0.8583173314218877
Energy: 1.6317490821651413
Energy: 0.797091913863849
Energy: 0.6915407980169536
Energy: 0.8385208211304773
Energy: 0.7313142851842404
Energy: 0.7702978319652738
Energy: 0.8517519800736164
Energy: 0.853644448098097
Energy: 0.7702099480635437
Energy: 0.8383123973329546
Energy: 0.8400796444550445
Energy: 0.9044286200727734
Energy: 0.787547965361326
Energy: 0.7863298649083171
Energy: 0.9050511470478682
Energy: 0.6851922529575902
Energy: 0.7851431226969043
Energy: 0.9113166609680453
Energy: 0.8234129262756014
Energy: 0.8972591493064537
Energy: 0.9065336967145139
Energy: 0.7282028124058665
Energy: 2.0155168494934226
Energy: 0.7835535481353485
Energy: 0.8367916421864131
Energy: 0.855196442917273
Energy: 0.7834713192854308
Energy: 0.8380845597971976
Energy: 1.906501466478957

minimum gb energy = 0.662177672128714 eV
minimum distance =  0.000516867177873672 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.1220819380166998
Energy: 1.1034179823141872
Energy: 1.0509541415526622
Energy: 0.8515892163807067
Energy: 2.586593420882793
Energy: 1.0465916923510004
Energy: 1.0139451642902877
Energy: 1.0638749707999466
Energy: 1.079838210084707
Energy: 1.0538068580230981
Energy: 1.0633373784732645
Energy: 1.0679115523054168
Energy: 1.1350731481789023
Energy: 0.9596542916297044
Energy: 1.0637877812703993
Energy: 1.049581510758554
Energy: 0.8819559816023906
Energy: 1.0637579154064207
Energy: 1.0613954763764577
Energy: 1.0774514186673207
Energy: 1.075314372945355
Energy: 1.062993039867949
Energy: 0.9796616971916773
Energy: 1.0761675779190425
Energy: 0.9671195857402844
Energy: 1.063140014786505
Energy: 1.0782476737531816
Energy: 0.967713301093764
Energy: 1.0613415038853211
Energy: 1.0798476707750155
Energy: 0.945184139025569
Energy: 1.0513315734527882
Energy: 0.964390675301541
Energy: 0.8840701848015987
Energy: 1.0686971796878455
Energy: 0.9644193257095021
Energy: 0.9670031251756526
Energy: 0.9921165235232816
Energy: 0.9853720143365854
Energy: 0.9676042031270226
Energy: 0.9895890260386915
Energy: 0.9858043352023346
Energy: 0.9696378456411189
Energy: 0.8419061779896767
Energy: 0.8773722802841996
Energy: 0.9693414031684077
Energy: 0.8359420987297969
Energy: 0.9682992208511962
Energy: 1.0347747198930008
Energy: 0.9827705528726655
Energy: 0.9881519684784209
Energy: 0.9870445048184182
Energy: 0.8806583776301699
Energy: 0.9927754113825158
Energy: 0.9424459076232032
Energy: 0.8870208532651377
Energy: 0.8822791495697714
Energy: 0.9386033862923248
Energy: 0.884957196609149
Energy: 0.8815086242303241
Energy: 0.9383643678285346
Energy: 0.8813905420717925
Energy: 0.8807969985912529
Energy: 0.8365661540285397
Energy: 1.0212505319120921
Energy: 0.8809645098580684
Energy: 0.8359166104756341
Energy: 0.88062667488896
Energy: 0.8692181438578823
Energy: 0.8358439379929788
Energy: 0.8809435154572096
Energy: 0.8353547389747701
Energy: 0.8362226363821673
Energy: 0.8431926524019385
Energy: 0.9870975218844268
Energy: 0.8358885315613164
Energy: 0.8380068846532664
Energy: 0.834832712896193
Energy: 1.010177748914647
Energy: 0.8604443885941991
Energy: 0.8726510021452631
Energy: 0.8364311179953154
Energy: 0.8331992543426394
Energy: 0.9858158051321823
Energy: 1.0111156187119568
Energy: 0.8404713571602628
Energy: 0.8363029232631665
Energy: 1.0130138088588618
Energy: 0.8370573988183921
Energy: 0.8356745833596916
Energy: 1.0134082011667112
Energy: 0.8926832956622435
Energy: 0.9916770545002429
Energy: 0.8834464634450283
Energy: 0.836231321323387
Energy: 0.8847188305469152
Energy: 0.8881989439847388
Energy: 0.8317685542318914
Energy: 0.8466760326969224
Energy: 0.8891482866501279
Energy: 0.8250187380888124
Energy: 0.881045405830335
Energy: 0.8821033089670877
Energy: 1.034857893088551
Energy: 1.0371169064677783
Energy: 0.8826060868969116
Energy: 1.0314730376665533
Energy: 0.8809849139064321
Energy: 1.0279219331979197
Energy: 0.9687081086955555
Energy: 0.9140098755490978
Energy: 0.8502987983242299
Energy: 1.0709213299872338
Energy: 0.9147314925901697
Energy: 0.8816726279691072
Energy: 0.9731958332749462
Energy: 0.997028574659933
Energy: 0.8819088893081781
Energy: 0.9708357338453584
Energy: 0.9897141432979564
Energy: 1.0776781385105165
Energy: 1.05996841439768
Energy: 1.0590358692648203
Energy: 1.0799192052747295
Energy: 0.9006602451812742
Energy: 1.050522602762602
Energy: 1.1346553457220374
Energy: 0.9013708013398044
Energy: 1.047562896212937
Energy: 1.0580575826505247
Energy: 0.8477513573669306
Energy: 1.037855552741793
Energy: 1.013737724655025
Energy: 0.9738431881501894
Energy: 0.9892978302973011
Energy: 1.0162236283228911
Energy: 0.9726854991821603
Energy: 1.0706331865735188

minimum gb energy = 0.8250187380888124 eV
minimum distance =  2.26340384985879 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.3050748730625663
Energy: 1.2528465038203958
Energy: 1.2582475140675085
Energy: 0.985071721676004
Energy: 2.3269322017266325
Energy: 1.1445539003345664
Energy: 1.1632395113183207
Energy: 1.1571705280052047
Energy: 1.177097843994201
Energy: 1.1623241993359
Energy: 1.161938053297497
Energy: 1.1763209804145107
Energy: 1.2025764913201884
Energy: 1.041877889277446
Energy: 1.117593899866777
Energy: 1.171894890474911
Energy: 1.0466738481641746
Energy: 1.175279194260282
Energy: 1.1746087622935166
Energy: 1.1134407661721095
Energy: 1.1128728692859706
Energy: 1.1733899275850472
Energy: 1.1704348162477727
Energy: 1.1689282111231412
Energy: 1.0479861841805043
Energy: 1.1577127259702982
Energy: 1.178250254526426
Energy: 1.0479411886104266
Energy: 1.16432230536498
Energy: 1.1770579669946617
Energy: 1.0734638754719308
Energy: 1.0546886812106218
Energy: 1.1895804006372865
Energy: 0.9508811505123627
Energy: 0.9565183845119889
Energy: 1.0438378102931325
Energy: 1.0482510015357431
Energy: 1.0692341659961067
Energy: 1.0667133496418928
Energy: 1.0479851444508237
Energy: 1.0678573673562468
Energy: 1.0656641771538122
Energy: 1.0479457321176244
Energy: 0.953723728759976
Energy: 0.9556627425896166
Energy: 1.0483311193415041
Energy: 0.959387547307159
Energy: 1.0686574041532584
Energy: 1.1375480622233667
Energy: 1.0601384251952861
Energy: 1.058754945625447
Energy: 1.0673997930034382
Energy: 0.9533553216609577
Energy: 1.070373571622621
Energy: 1.1444967883388517
Energy: 0.9552287565166199
Energy: 0.9546500018771964
Energy: 1.0520088424557517
Energy: 0.9560428953742486
Energy: 0.9545665806581278
Energy: 1.1408213726612348
Energy: 0.956114651307263
Energy: 0.9550469920794499
Energy: 0.9578474054355883
Energy: 0.9533582243645341
Energy: 1.0046990091680594
Energy: 0.9544358040219578
Energy: 0.9568202453158212
Energy: 0.9617377698990047
Energy: 0.9544728939846867
Energy: 0.9754504016563179
Energy: 0.954923731400944
Energy: 0.9541231806548415
Energy: 1.0680231748033457
Energy: 0.9544656230342466
Energy: 0.9540898990911765
Energy: 1.0665314546076063
Energy: 0.9540504792759273
Energy: 0.9327375635845231
Energy: 1.0506117222846487
Energy: 1.0692688536684551
Energy: 0.9328616072150566
Energy: 1.0988828212121695
Energy: 0.9759303949415065
Energy: 0.9281449456737342
Energy: 1.0484305277531054
Energy: 1.070788612083316
Energy: 1.0481907649122468
Energy: 1.0492062379699245
Energy: 1.0668576092148745
Energy: 1.175417173811056
Energy: 1.0780136096997897
Energy: 1.153215584324059
Energy: 1.1774444577196015
Energy: 0.9752118532338067
Energy: 1.1767838110212188
Energy: 1.27760376713879
Energy: 0.9758696522516872
Energy: 0.9767807670568656
Energy: 1.0540074858525037
Energy: 0.9815107442066106
Energy: 1.1485297018401215
Energy: 1.204824599452849
Energy: 1.0460099181779845
Energy: 1.0682969745016544
Energy: 1.1643670038086933
Energy: 1.1724454505334283
Energy: 1.1561171085385427
Energy: 1.1980799983033326
Energy: 2.1330703846803067
Energy: 1.2181981412622414
Energy: 0.9736456730741927
Energy: 2.2721638964856643
Energy: 1.105925287860953
Energy: 1.1101219069748907
Energy: 1.1631461381698394
Energy: 1.1777854738290996
Energy: 1.1129260194634785
Energy: 1.1641666952817766
Energy: 1.176624812444086
Energy: 1.2037624051203866
Energy: 1.1138961234366995
Energy: 1.1162986463859987
Energy: 1.1730587637793264
Energy: 1.0599084715874827
Energy: 1.1677455126587595
Energy: 1.1719760846271539
Energy: 1.0413475763746112
Energy: 1.1171340021892953
Energy: 1.172038747446516
Energy: 1.0465747699474977
Energy: 1.1749666206318272
Energy: 1.0488455603444862
Energy: 1.155923415963112
Energy: 1.179091430150245
Energy: 1.0480488241532746
Energy: 1.161128850148317
Energy: 1.177428328726094
Energy: 1.0749734027187456
Energy: 0.9535148497228564
Energy: 1.0536947950012912
Energy: 0.9517867252414738
Energy: 0.9562972546282799
Energy: 1.0432586769267782
Energy: 1.0481802382554224
Energy: 1.1780143291201561
Energy: 1.0706075171921807
Energy: 1.0477169473226402
Energy: 1.1738539448943264
Energy: 1.0654726573830242
Energy: 1.0557366986036096
Energy: 0.9535386067628894
Energy: 1.0059311792664867
Energy: 1.0481535484578013
Energy: 0.9588589201665936
Energy: 1.0694981059872903
Energy: 1.140971342637701
Energy: 0.9549724940510543
Energy: 1.0584109428166797
Energy: 1.068774984456027
Energy: 0.9784823644563245
Energy: 1.070249552084685
Energy: 1.1422766311313506
Energy: 0.9546052372796966
Energy: 0.9546959932846388
Energy: 1.069442674566869
Energy: 0.9569796193029734
Energy: 0.9545788767737651
Energy: 1.1400750587389654
Energy: 0.9562226073945516
Energy: 0.9559561232781262
Energy: 0.9589009060575129
Energy: 0.9546460797182107
Energy: 1.005312433247676
Energy: 0.9541418084191828
Energy: 0.9549785106017717
Energy: 0.9562396083804129
Energy: 0.9541527364898309
Energy: 0.9770375951943064
Energy: 0.954529243679762
Energy: 0.9556928921527788
Energy: 1.0701295767458832
Energy: 0.9540371719447919
Energy: 0.9542416456629331
Energy: 1.0668862295275627
Energy: 0.9543034794922006
Energy: 0.9329445517449503
Energy: 1.0497354193578756
Energy: 1.069817180394762
Energy: 0.9317636053082032
Energy: 1.0703996316013857
Energy: 0.9762610065556867
Energy: 0.9282653562114552
Energy: 1.0493702229155855
Energy: 1.0709750626915324
Energy: 0.9558273736245286
Energy: 1.0502511989541294
Energy: 1.0056887979100868
Energy: 1.1695492340278861
Energy: 1.0766179996100216
Energy: 1.1520781498938548
Energy: 1.1737076210462092
Energy: 0.9753946109567294
Energy: 1.1772772776332345
Energy: 1.2363850100912355
Energy: 0.9763106984213881
Energy: 0.9773609037260123
Energy: 1.2364368398941272
Energy: 0.9256417041431958
Energy: 1.1315314285651488
Energy: 1.2035242494403509
Energy: 1.0470824584890437
Energy: 1.1572237945539385
Energy: 1.1627046492933646
Energy: 1.047296297197448
Energy: 1.1566315008090895
Energy: 1.2010059163424636
Energy: 1.9227010547169505
Energy: 1.2181334660208412
Energy: 0.9798970421668135
Energy: 2.108922755867088
Energy: 1.1069104572985833

minimum gb energy = 0.9256417041431958 eV
minimum distance =  2.26513075605726 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.399041399885514
Energy: 1.1101176201162717
Energy: 1.1106116654430465
Energy: 1.1142030544773045
Energy: 1.8530567338024013
Energy: 1.107674792856441
Energy: 1.1980408786484478
Energy: 1.287046167864559
Energy: 1.2334381135265011
Energy: 1.1725391262633933
Energy: 1.1744506556988814
Energy: 1.2278415848663833
Energy: 1.3684331946102497
Energy: 1.1408758787585154
Energy: 1.1073820222107433
Energy: 1.1474285920125067
Energy: 1.1455343720447122
Energy: 1.1413943964082474
Energy: 1.16894698894215
Energy: 1.142441154107521
Energy: 1.108178000044144
Energy: 1.1490114356854155
Energy: 1.1471045264255757
Energy: 1.1467888226805856
Energy: 1.145337287966828
Energy: 1.1468529107953205
Energy: 1.1111547107394524
Energy: 1.1480129104359162
Energy: 1.171257658946152
Energy: 1.1116038009848221
Energy: 1.211948441261464
Energy: 1.1502951557138095
Energy: 1.1118441487814634
Energy: 1.1138713109720186
Energy: 1.1638236659018273
Energy: 1.1112279763221096
Energy: 1.1454758600485648
Energy: 1.2312264569993232
Energy: 1.1144389132246297
Energy: 1.1458264615605125
Energy: 1.2294644709454179
Energy: 1.1144765219896706
Energy: 1.1483776213008698
Energy: 1.1115701740979496
Energy: 1.1125686056996542
Energy: 1.1498293122610244
Energy: 1.1744153090142044
Energy: 1.1456666782917353
Energy: 1.2844948163855265
Energy: 1.114137017626872
Energy: 1.1103424111829454
Energy: 1.090301182513197
Energy: 1.1628574026966478
Energy: 1.1096452474614036
Energy: 1.2127267987003416
Energy: 1.15404983786781
Energy: 1.1168593555562374
Energy: 1.1170067223435167
Energy: 1.1466474569629286
Energy: 1.1105280352437994
Energy: 1.3003597473007553
Energy: 1.1109450478401883
Energy: 1.133377362937395
Energy: 1.2312045356453396
Energy: 1.0865442349651202
Energy: 1.226310702793293
Energy: 1.3589300262355075
Energy: 1.086353740654273
Energy: 1.0862999096047063
Energy: 1.3581499638536778
Energy: 1.086326677558928
Energy: 1.1655346921044223
Energy: 1.3699957013334527
Energy: 1.1101759350989713
Energy: 1.1336212777862837
Energy: 1.1727093541642866
Energy: 1.2689096420967343
Energy: 1.2298691988989163
Energy: 1.088296922536408
Energy: 2.1994461351190924
Energy: 1.0871194206009405
Energy: 1.092276181212375
Energy: 1.984873050889058
Energy: 1.0864208013568122

minimum gb energy = 1.0862999096047063 eV
minimum distance =  2.30725014088093 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.930939045690781
Energy: 2.005076184442516
Energy: 1.3711372145626353
Energy: 1.3609768460618694
Energy: 2.676504843876417
Energy: 1.361331886580114
Energy: 1.4328324702538717
Energy: 1.3115499618933795
Energy: 1.3325122799194182
Energy: 1.3639466187430664
Energy: 1.3106900403949644
Energy: 1.2888067290591179
Energy: 1.4917242690049153
Energy: 1.3181598610164698
Energy: 1.3233735845731103
Energy: 1.426090434881362
Energy: 1.31773102585652
Energy: 1.3291994348619363
Energy: 1.3968337705161982
Energy: 1.2834373446401035
Energy: 1.2887011946111684
Energy: 1.3445594038992432
Energy: 1.283460991956642
Energy: 1.290483495631078
Energy: 1.3615750308002126
Energy: 1.3121245966488517
Energy: 1.306554499393727
Energy: 1.341556049316534
Energy: 1.310263455769279
Energy: 1.3518286854155663
Energy: 1.4065246221840386
Energy: 1.3189103759924024
Energy: 1.3285021977052616
Energy: 1.3462832728183567
Energy: 1.3077716053439912
Energy: 1.329626026425908
Energy: 1.3140902569951953
Energy: 1.3289282130733657
Energy: 1.3301022477730928
Energy: 1.3144211113023494
Energy: 1.3298582583354315
Energy: 1.308863740145661
Energy: 1.3141129162238627
Energy: 1.3512489804823802
Energy: 1.3432970172144107
Energy: 1.3090135583927562
Energy: 1.3650793306222013
Energy: 1.3336579836204894
Energy: 1.3000725653703127
Energy: 1.3424408673244113
Energy: 1.3276702110200311
Energy: 1.2747774579246463
Energy: 1.3432786025367973
Energy: 1.288753385334787
Energy: 1.3252755837201684
Energy: 1.343318744138876
Energy: 1.3265791641247942
Energy: 1.2758932224064878
Energy: 1.34261293494763
Energy: 1.2890895019463056
Energy: 1.3140522740117193
Energy: 1.3553543553901861
Energy: 1.3442485117539182
Energy: 1.3084606443028515
Energy: 1.3327972307023843
Energy: 1.334688439173224
Energy: 1.3057296467515385
Energy: 1.2987103106737208
Energy: 1.2783022773002664
Energy: 1.307230626790914
Energy: 1.3386883094799877
Energy: 1.34623902906044
Energy: 1.3022756053708906
Energy: 1.3380525774337746
Energy: 1.3370567497580967
Energy: 1.3028815858877103
Energy: 1.3534083774527703
Energy: 1.3312010764906792
Energy: 1.35544775097582
Energy: 1.3402493904135768
Energy: 1.342290885876769
Energy: 1.3245169400716221
Energy: 1.3721915210759426
Energy: 1.3410294200078343
Energy: 1.2882404274081218
Energy: 1.3374727636860793
Energy: 1.3356266802789272
Energy: 1.3061588389299694
Energy: 1.3368761439657988
Energy: 1.289015537987686
Energy: 1.2898247077147718
Energy: 1.3376417997906744
Energy: 1.3346993397872065
Energy: 1.2912124641339986
Energy: 1.3389575102179672
Energy: 1.2899737491890155
Energy: 1.286858314706578
Energy: 1.3360011327711054
Energy: 1.3327863515467413
Energy: 1.307956059090692
Energy: 1.328308866031324
Energy: 1.3084202586144908
Energy: 1.4571707158094322
Energy: 1.351909539845885
Energy: 1.3547341066816518
Energy: 1.3220243675594798
Energy: 1.357002129007073
Energy: 1.3212907267483305
Energy: 1.333219682314421
Energy: 1.3415398920345607
Energy: 1.3381711004125432
Energy: 1.3366291378539235
Energy: 1.3396332204900545
Energy: 1.3361015867174857
Energy: 1.3629340266590941
Energy: 1.2844675841773945
Energy: 1.2867779471287903
Energy: 1.32564881869527
Energy: 1.2840307147541707
Energy: 1.3330676577064928
Energy: 1.3871641326821402
Energy: 1.2840776606216604
Energy: 1.3185004941404022
Energy: 1.3276304370515732
Energy: 1.2850963194802862
Energy: 1.337443574859899
Energy: 1.310996895993972
Energy: 1.3421610888698967
Energy: 1.3411810519573717
Energy: 1.336996247125778
Energy: 1.326864519751082
Energy: 1.3427881271411373
Energy: 1.3028834466114136
Energy: 1.33094276769834
Energy: 1.2875569621060428
Energy: 1.3155090938251182
Energy: 1.3267047009631072
Energy: 1.2862181494556586
Energy: 1.3874941365445286
Energy: 1.34392412204734
Energy: 1.3287626654232116
Energy: 1.341160118747591
Energy: 1.3370651298343503
Energy: 1.3367103868638488
Energy: 1.3890541914694627
Energy: 1.330400676057375
Energy: 1.330921992586837
Energy: 1.3900382927985093
Energy: 1.326530775164332
Energy: 1.331397231139773
Energy: 1.4097897570383482
Energy: 1.3177948037001879
Energy: 1.305335224120143
Energy: 1.3388775647997528
Energy: 1.3176873238252342
Energy: 1.327433409013157
Energy: 1.39616309199541
Energy: 1.2887689686658592
Energy: 1.289669590399074
Energy: 1.3396757894837181
Energy: 1.2905889955680447
Energy: 1.2892273808891235
Energy: 1.3850512645129314
Energy: 1.3015028354930496
Energy: 1.2900112673404636
Energy: 1.3369030615058324
Energy: 1.3052588535948757
Energy: 1.3348558784559457
Energy: 1.4920450482526832
Energy: 1.3314856795782488
Energy: 1.3340483780192347
Energy: 1.491889988086756
Energy: 1.3136879940607158
Energy: 1.3328818627900476
Energy: 1.49101720597746
Energy: 1.3186572954076257
Energy: 1.28924611778598
Energy: 1.3383176496629632
Energy: 1.3044602073884015
Energy: 1.3341685824965221
Energy: 1.3783110451742133
Energy: 3.0103420612210665
Energy: 1.3332956067534032
Energy: 1.2816235494147012
Energy: 2.2606764334225047
Energy: 1.276348288063271

minimum gb energy = 1.2747774579246463 eV
minimum distance =  2.28128426348126 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.7219488310099977
Energy: 1.4658124679550109
Energy: 1.4662971701260832
Energy: 1.4652795742453064
Energy: 1.845467450963373
Energy: 1.4703152417316052
Energy: 1.3049904522528564
Energy: 1.3551079034967317
Energy: 1.3570284435648388
Energy: 1.3568694927231606
Energy: 1.354073622534499
Energy: 1.3597262036072357
Energy: 1.4074747205178375
Energy: 1.383417327610042
Energy: 1.4009775228842487
Energy: 1.398142836276571
Energy: 1.3858104466846108
Energy: 1.3581177384347596
Energy: 1.3358599269315103
Energy: 1.3604022336196764
Energy: 1.358839065025858
Energy: 1.3501095576833857
Energy: 1.3309169282796383
Energy: 1.3563444914863194
Energy: 1.348050164116577
Energy: 1.360298572701513
Energy: 1.3587905100440159
Energy: 1.3554896653614363
Energy: 1.3546063994595505
Energy: 1.3584447616834991
Energy: 1.400903439864391
Energy: 1.410581217876446
Energy: 1.4118461652985679
Energy: 1.357883865485711
Energy: 1.4182851940998515
Energy: 1.4139161471840163
Energy: 1.40994974965122
Energy: 1.358012889853755
Energy: 1.3604023241821173
Energy: 1.4108695504612494
Energy: 1.349323812409976
Energy: 1.4242099677077342
Energy: 1.4057008675817506
Energy: 1.358500681416455
Energy: 1.359565156161795
Energy: 1.3502886149487714
Energy: 1.353714549886235
Energy: 1.3575248131280504
Energy: 1.3053412883833702
Energy: 1.7888968703844532
Energy: 1.4612093591568551
Energy: 1.3125850492113849
Energy: 1.3535658160634272
Energy: 1.3313194135701987
Energy: 1.3057925918522033
Energy: 1.7665394324382326
Energy: 1.3352554509864927
Energy: 1.3103435806185229
Energy: 1.4043834456876938
Energy: 1.3316585527757285
Energy: 1.4046759183537327
Energy: 1.357210785000196
Energy: 1.3610378764665096
Energy: 1.3498188636544173
Energy: 1.3552408258203954
Energy: 1.3576129789038456
Energy: 1.3993813221803264
Energy: 1.4086199416408385
Energy: 1.4111300710771457
Energy: 1.3965134039383957
Energy: 1.409853041084556
Energy: 1.4112871342881441
Energy: 1.3516185975916946
Energy: 1.3576841647410411
Energy: 1.357453741357899
Energy: 1.3567439220215696
Energy: 1.3532751983888323
Energy: 1.3573578183764161
Energy: 1.4049902632197953
Energy: 1.4112369037752357
Energy: 1.4116925797750102
Energy: 1.35387545572093
Energy: 1.4149379887466327
Energy: 1.3555511292749176
Energy: 1.3521860492880267
Energy: 1.3047982081111826
Energy: 1.3580083428921612
Energy: 1.3854066838453898
Energy: 1.3283368903484483
Energy: 1.3587923853885404
Energy: 1.4071805720771922
Energy: 1.3296698139246967
Energy: 1.3063496741356588
Energy: 1.398759050525632
Energy: 1.3537046196248
Energy: 1.3585231515611622
Energy: 1.3050327357948959
Energy: 1.3541001024964807
Energy: 1.355376536943041
Energy: 1.3270565562476586
Energy: 1.3543958899494581
Energy: 1.3572946744211745

minimum gb energy = 1.3047982081111826 eV
minimum distance =  2.28397109183596 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.0801923972815186
Energy: 1.551112839861833
Energy: 1.437706212978507
Energy: 1.4437734528373103
Energy: 2.496198632235373
Energy: 1.4353673095168349
Energy: 1.5954064824195655
Energy: 1.4030819899743845
Energy: 1.4001155468101105
Energy: 1.3922463286904914
Energy: 1.3924065711735378
Energy: 1.39913750190765
Energy: 1.514584059287124
Energy: 1.4321483270007078
Energy: 1.4005382631669623
Energy: 1.4050381327337484
Energy: 1.4354178778184172
Energy: 1.400834360305967
Energy: 1.4533181875766632
Energy: 1.4037719577409649
Energy: 1.4042496620383202
Energy: 1.4169010155888486
Energy: 1.4036542624729835
Energy: 1.4138403179595032
Energy: 1.4197221089743994
Energy: 1.3889306539859139
Energy: 1.3853552749006588
Energy: 1.3840769477652
Energy: 1.395594249431416
Energy: 1.3847185943602256
Energy: 1.4300193506915146
Energy: 1.403284337362337
Energy: 1.4035145469124737
Energy: 1.3961030966202628
Energy: 1.4005190173086441
Energy: 1.4033735465053538
Energy: 1.431467018735661
Energy: 1.4593557098969347
Energy: 1.401370141856856
Energy: 1.394182764840018
Energy: 1.4618291531498429
Energy: 1.401859275123666
Energy: 1.4739518436689658
Energy: 1.408151952627659
Energy: 1.3960894501151062
Energy: 1.3878625638496873
Energy: 1.4215758399501404
Energy: 1.3949541136085604
Energy: 1.5805827872193494
Energy: 1.3893750098235271
Energy: 1.3865986160822037
Energy: 1.4008347567192996
Energy: 1.3955174293950114
Energy: 1.3985072978158837
Energy: 1.5810857937738114
Energy: 1.3908611818280305
Energy: 1.388314911481208
Energy: 1.4025407944691777
Energy: 1.3896749031036297
Energy: 1.387527140377868
Energy: 1.473942096689397
Energy: 1.3846067538118527
Energy: 1.3835062696895364
Energy: 1.3904348045987527
Energy: 1.3843493155863489
Energy: 1.383769280208154
Energy: 1.4724795018888002
Energy: 1.3998997934196287
Energy: 1.3980876005087441
Energy: 1.3898577752173864
Energy: 1.4031919100750387
Energy: 1.3850145486727774
Energy: 1.5732697864839589
Energy: 1.3994739875356537
Energy: 1.39959773358465
Energy: 1.3628657424195785
Energy: 1.3978479875863261
Energy: 1.3625923485733356
Energy: 1.6195095884144903
Energy: 1.4095894323738871
Energy: 1.4103307545853128
Energy: 1.401218235781577
Energy: 1.4073838910704146
Energy: 1.409077798981269
Energy: 1.4715028156771277
Energy: 1.381940570730284
Energy: 1.381481831059533
Energy: 1.3911935603643053
Energy: 1.3809322284914225
Energy: 1.3887800870384217
Energy: 1.453232634693112
Energy: 1.3965342151669122
Energy: 1.3819409032974737
Energy: 1.4321395691317058
Energy: 1.4359157095664479
Energy: 1.467309113827488
Energy: 1.5018370938266092
Energy: 1.4143013053107407
Energy: 1.4114888285739824
Energy: 1.40608934261237
Energy: 1.4149666643308925
Energy: 1.4111144059273768
Energy: 1.50110096289756
Energy: 1.4438599824674774
Energy: 1.4399332166659857
Energy: 1.4376244593092669
Energy: 1.449884602372075
Energy: 1.4385133358339268
Energy: 1.5121689045767066
Energy: 1.4046605690107303
Energy: 1.4029175787278934
Energy: 1.3848118687361601
Energy: 1.4066586497329197
Energy: 1.4023766607297437
Energy: 1.515725896384651
Energy: 1.4061151228832183
Energy: 1.404381731886272
Energy: 1.4056290147716162
Energy: 1.3923785021129809
Energy: 1.4038089031587335
Energy: 1.5560349165512344
Energy: 1.3858204056384364
Energy: 1.386420312721404
Energy: 1.4158933461116048
Energy: 1.3945532487372878
Energy: 1.3938434629295156

minimum gb energy = 1.3625923485733356 eV
minimum distance =  2.21462286092193 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.3857137393571417
Energy: 1.2688495404310838
Energy: 1.2722177431245827
Energy: 1.2676508286726955
Energy: 1.7350374682512488
Energy: 1.3665345588572606
Energy: 1.403598177307585
Energy: 1.334555523300795
Energy: 1.3341689656766027
Energy: 1.3332104138289975
Energy: 1.3333412649203633
Energy: 1.3350912505467056
Energy: 1.559051659295017
Energy: 1.4534817867387368
Energy: 1.341493044206862
Energy: 1.3306399740565464
Energy: 1.3256927963477312
Energy: 1.4539048120642561
Energy: 1.5457259608773566
Energy: 1.335744478658401
Energy: 1.3512031492936412
Energy: 1.3690836412555254
Energy: 1.3312946463706448
Energy: 1.3372584237764202
Energy: 1.3214694907766826
Energy: 1.3329418951076917
Energy: 1.3352380516359235
Energy: 1.3236751057276999
Energy: 1.333689857387132
Energy: 1.3394301305299103
Energy: 1.4848814777714034
Energy: 1.3617893351940187
Energy: 1.4185814336584204
Energy: 1.3742951035065927
Energy: 1.3585563318282339
Energy: 1.3694945076898184
Energy: 1.5423597607099702
Energy: 1.2704579803836489
Energy: 1.2715200122919046
Energy: 2.3386990343869076
Energy: 1.2683938505290389
Energy: 1.2759092239713772
Energy: 1.5206387787867977
Energy: 1.2679668672598512
Energy: 1.3535088569719813
Energy: 1.4360263238410877
Energy: 1.2669623395451342
Energy: 1.4397405546673108
Energy: 1.6388468475000335
Energy: 1.3747146792839027
Energy: 1.3805459685460615
Energy: 1.3764520403593936
Energy: 1.4274189124488021
Energy: 1.3753915622735617
Energy: 1.6386230609291588
Energy: 1.3748033308222058
Energy: 1.3806269592134628
Energy: 1.3769164397556808
Energy: 1.412605493711131
Energy: 1.3754331808793956
Energy: 1.518462688366928
Energy: 1.424395714876158
Energy: 1.4247657198484107
Energy: 1.4308863229521427
Energy: 1.3518911223203947
Energy: 1.4266264796249035
Energy: 1.5516319428657872
Energy: 1.382161865817882
Energy: 1.382538354879705
Energy: 1.3850264387299411
Energy: 1.3818843833660053
Energy: 1.3831554326586526
Energy: 1.2647624387875804
Energy: 2.418205803624262
Energy: 1.2678133471739066
Energy: 1.2683589307734882
Energy: 2.2864686636200737
Energy: 1.2676634210336672
Energy: 1.2663075463796902
Energy: 1.3844131661212173
Energy: 2.06638540416572
Energy: 1.266547005912049
Energy: 1.4079200125204323
Energy: 1.267440533186512
Energy: 1.521272649517291
Energy: 1.3810441905435253
Energy: 1.3822368858558416
Energy: 1.3830061772529685
Energy: 1.3826237366943572
Energy: 1.3862423596607092
Energy: 1.545957698652955
Energy: 1.3810345263225616
Energy: 1.3837364183994738
Energy: 1.4285336021221582
Energy: 1.382123185026675
Energy: 1.3874248115446335
Energy: 1.3226350313822777
Energy: 1.413290083060544
Energy: 1.3992067063594236
Energy: 1.3487860445476922
Energy: 1.4155863618084354
Energy: 1.4484224417536034
Energy: 1.4329859409188315
Energy: 1.375287116071769
Energy: 1.382826581058326
Energy: 1.3794723158875224
Energy: 1.3760236925948246
Energy: 1.378509361720665
Energy: 1.5415813698203111
Energy: 1.2665599785929471
Energy: 1.2668822989187583
Energy: 1.375929429529574
Energy: 1.2672125857032353
Energy: 1.2677009225642741
Energy: 1.5613886074642453
Energy: 1.2665746919737566
Energy: 1.266881940575697
Energy: 1.3757739888123506
Energy: 1.2672286938454642
Energy: 1.267976269731036
Energy: 1.6864385450371375
Energy: 1.3760919693913156
Energy: 1.3753034116996246
Energy: 1.3795141847619043
Energy: 1.3754625563845155
Energy: 1.3805299282069072
Energy: 1.3265731302527741
Energy: 1.3570146181173393
Energy: 1.3551423142858237
Energy: 1.3260601259507931
Energy: 1.3498783120751434
Energy: 1.3617143649664047
Energy: 1.5543504671103696
Energy: 1.346023324178961
Energy: 1.332082732724774
Energy: 1.332150792410386
Energy: 1.3464093020677175
Energy: 1.347959698448747
Energy: 1.5487396068497232
Energy: 1.331133294249326
Energy: 1.331680132645586
Energy: 1.332513960860009
Energy: 1.3339792583275973
Energy: 1.4476383079477924
Energy: 1.4226016400838288
Energy: 1.334153605420328
Energy: 1.6395045477082157
Energy: 1.2667534426153066
Energy: 1.3341182781714136
Energy: 1.3621914057770388

minimum gb energy = 1.2647624387875804 eV
minimum distance =  2.24592972336006 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.009930061073232
Energy: 1.27529111441718
Energy: 1.2791966181278105
Energy: 1.3001496531384014
Energy: 3.1811196004734534
Energy: 1.2789245155102154
Energy: 1.557218613520256
Energy: 1.296748452733543
Energy: 1.297375582163577
Energy: 1.2939189980066435
Energy: 1.349050546810514
Energy: 1.2967995149633749
Energy: 1.4632874901633397
Energy: 1.297633794577177
Energy: 1.30052819458466
Energy: 1.2953994954729908
Energy: 1.2960051498538343
Energy: 1.2974508639977007
Energy: 1.3925514877993794
Energy: 1.296457501899616
Energy: 1.2978553152063854
Energy: 1.3337066849933867
Energy: 1.2954107028637445
Energy: 1.2990945367832427
Energy: 1.3050988443325655
Energy: 1.2970998437289984
Energy: 1.2959269865960772
Energy: 1.303038309274024
Energy: 1.2959345376037548
Energy: 1.2982127168989737
Energy: 1.342005399560655
Energy: 1.2993792059459828
Energy: 1.2996141060828752
Energy: 1.3146446931164546
Energy: 1.301575225430198
Energy: 1.2976740834341576
Energy: 1.3131479247340063
Energy: 1.2839565141630787
Energy: 1.3215372356482507
Energy: 1.2958531545484961
Energy: 1.2832801171152486
Energy: 1.3197609887970445
Energy: 1.3396844377714963
Energy: 1.289032495094308
Energy: 1.2965030329260285
Energy: 1.3684174020129176
Energy: 1.2882812946619513
Energy: 1.2970087585333254
Energy: 1.288814344971341
Energy: 1.2979026444234065
Energy: 1.297215220667913
Energy: 1.2943248790554471
Energy: 1.2990880387547972
Energy: 1.2963807421306244
Energy: 1.2902315984296981
Energy: 1.2944281548783603
Energy: 1.2974941734303025
Energy: 1.2949631906996217
Energy: 1.2972418991843826
Energy: 1.2992292781293526
Energy: 1.4808734832387633
Energy: 1.277198650989424
Energy: 1.280100451747482
Energy: 1.2873979771887003
Energy: 1.2752069867171858
Energy: 1.2759847954559094
Energy: 1.4916328127896554
Energy: 1.275355218573653
Energy: 1.2765064168662805
Energy: 1.2768109111691046
Energy: 1.273965184726525
Energy: 1.2774451088680618
Energy: 1.3642293155670677
Energy: 1.349276305651672
Energy: 1.3019364975389096
Energy: 1.2639726650507437
Energy: 1.3208807912403135
Energy: 1.271856202554815
Energy: 1.4465583446322452
Energy: 1.2950132885082306
Energy: 1.2944345714098742
Energy: 1.2674627855194107
Energy: 1.3452518391500796
Energy: 1.2974477732029812
Energy: 1.4610505240843972
Energy: 1.2742609970408505
Energy: 1.2751130845601013
Energy: 1.2766817250020865
Energy: 1.2734694394760215
Energy: 1.2759127642238717
Energy: 1.4741202798795332
Energy: 1.276383754645008
Energy: 1.2771407933880095
Energy: 1.2768426469065135
Energy: 1.287330655189424
Energy: 1.2776532587131968
Energy: 1.3285123952001552
Energy: 1.2955401288791022
Energy: 1.311567199593622
Energy: 1.2690961967458905
Energy: 1.3607687960945336
Energy: 1.3110796730681735
Energy: 1.4066099779428551
Energy: 1.275614840488524
Energy: 1.276258275725231
Energy: 1.2656211214904045
Energy: 1.275343893152657
Energy: 1.2766445461059128
Energy: 1.422492891561942
Energy: 1.2679534398721823
Energy: 1.2688368547568027
Energy: 1.3595724163541836
Energy: 1.2672079666276828
Energy: 1.275808451591153
Energy: 1.3807501715592432
Energy: 1.267895005926694
Energy: 1.2687834499671296
Energy: 1.280572605779234
Energy: 1.2669941455565288
Energy: 1.2759817210152127
Energy: 1.2820064239856785
Energy: 1.275748882242501
Energy: 1.2760186237621927
Energy: 1.275090526343154
Energy: 1.275948684367484
Energy: 1.2762039947855646
Energy: 1.2668718091102944
Energy: 1.2779190869799502
Energy: 1.2774670467319416
Energy: 1.273591340329969
Energy: 1.2776168685055835
Energy: 1.276456034350017
Energy: 1.4356614989433214
Energy: 1.2639396702185086
Energy: 1.2621769610912876
Energy: 1.3598505738528668
Energy: 1.2619475492919459
Energy: 1.2757549904034917
Energy: 1.4229850392789904
Energy: 1.261525244826832
Energy: 1.2784613778800813
Energy: 1.3804077708771334
Energy: 1.2604275446185176
Energy: 1.276350952103706
Energy: 1.3695837448321027
Energy: 1.2762771398248218
Energy: 1.2761963351639374
Energy: 1.272913238286347
Energy: 1.276106288795882
Energy: 1.2756638500496356
Energy: 1.3182149821317442
Energy: 1.2967070030861916
Energy: 1.297474762866143
Energy: 1.2866113893855322
Energy: 1.2966515576847448
Energy: 1.2766464792201955
Energy: 1.4633272041782595
Energy: 1.2969468816184881
Energy: 1.2978076358133621
Energy: 1.2968770518376838
Energy: 1.295534819589647
Energy: 1.2972637527319884
Energy: 1.4631535396804558
Energy: 1.295791359307298
Energy: 1.2965578484460936
Energy: 1.2989255560332078
Energy: 1.2948595051680105
Energy: 1.2973081061327922
Energy: 1.3985429936507145
Energy: 1.2942750055915049
Energy: 2.637511241534494
Energy: 1.2575887134901438
Energy: 1.396797866586688
Energy: 1.2702255002703144

minimum gb energy = 1.2575887134901438 eV
minimum distance =  2.20914241413595 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.8273311847886882
Energy: 1.2378737659291557
Energy: 1.237422721956643
Energy: 1.2770994495015697
Energy: 2.6628927601297345
Energy: 1.1963206076293107
Energy: 1.4448822608985827
Energy: 1.2575658046003668
Energy: 1.2308034990866001
Energy: 1.2292744799072102
Energy: 1.24175459910371
Energy: 1.2330213408979103
Energy: 1.457448025567985
Energy: 1.233462340306902
Energy: 1.238604457915818
Energy: 1.2790537523738204
Energy: 1.2295751162414852
Energy: 1.228548618164336
Energy: 1.310088023189436
Energy: 1.2306217244719775
Energy: 1.2321828830558705
Energy: 1.230727283159025
Energy: 1.2293124398795634
Energy: 1.2328129699260486
Energy: 1.237777707714388
Energy: 1.2748238998835988
Energy: 1.2307725610099087
Energy: 1.2369206068510372
Energy: 1.273991197663371
Energy: 1.245780639015928
Energy: 1.2640485843885276
Energy: 1.2317089622301964
Energy: 1.2584315896669613
Energy: 1.2398801638009316
Energy: 1.2359498928247152
Energy: 1.2315983313090175
Energy: 1.264665428717545
Energy: 1.2218090866220688
Energy: 1.2168245350079083
Energy: 1.2879376703852459
Energy: 1.2188809054181247
Energy: 1.21660686013052
Energy: 1.220609917689058
Energy: 1.233059813258786
Energy: 1.2339988653396994
Energy: 1.231546227828793
Energy: 1.217126048156046
Energy: 1.2326287647787135
Energy: 1.2209064917179597
Energy: 1.2302592664278014
Energy: 1.2298734368283204
Energy: 1.23077245712666
Energy: 1.2304683306466562
Energy: 1.2429739226405994
Energy: 1.2195434527466604
Energy: 1.2321671412847985
Energy: 1.2321840449934167
Energy: 1.228457715434537
Energy: 1.2297219407819941
Energy: 1.2314097816064926
Energy: 1.4260503305428658
Energy: 1.2082344970918122
Energy: 1.212784277432007
Energy: 1.2735381292026862
Energy: 1.2058942183252466
Energy: 1.203275986281756
Energy: 1.4538148281505685
Energy: 1.227946032871253
Energy: 1.228474268870245
Energy: 1.229168227998504
Energy: 1.2239642671660915
Energy: 1.2293170481140383
Energy: 1.2688819449812325
Energy: 1.2301273003330442
Energy: 1.2574808626656873
Energy: 1.215928726768701
Energy: 1.2811341907484026
Energy: 1.2323822366673405
Energy: 1.3066192976113036
Energy: 1.2300855270650903
Energy: 1.2277600686866117
Energy: 1.2160339847278334
Energy: 1.2591941087153384
Energy: 1.227596774691637
Energy: 1.4584320317286232
Energy: 1.230283126681969
Energy: 1.2359605844937744
Energy: 1.2298664224233635
Energy: 1.2263021722819476
Energy: 1.2302644568415322
Energy: 1.4570081443275817
Energy: 1.231486422966194
Energy: 1.2321388529617379
Energy: 1.2570832818284534
Energy: 1.2426481060331909
Energy: 1.2336852905360416
Energy: 1.292957685548207
Energy: 2.5372704658998355
Energy: 1.2390799044691194
Energy: 1.1920113182035799
Energy: 2.5173486242576995
Energy: 1.1903691685529112
Energy: 1.449905107726542
Energy: 1.231490247607251
Energy: 1.2313605846060844
Energy: 1.236343377419958
Energy: 1.277615727020303
Energy: 1.2385657539182693
Energy: 1.4934154935242856
Energy: 1.2299533833122134
Energy: 1.2310342166835369
Energy: 1.2299412013487296
Energy: 1.228979270498539
Energy: 1.2313142872531815
Energy: 1.4232551224963494
Energy: 1.230558233021727
Energy: 1.232056311967963
Energy: 1.2311605281883322
Energy: 1.2290968799065314
Energy: 1.2332841210305334
Energy: 1.2373180949771283
Energy: 1.231098551721681
Energy: 1.2307948566753444
Energy: 1.2407480471673167
Energy: 1.2282578377800568
Energy: 1.2369594877685213
Energy: 1.309430049795372
Energy: 1.2360985243194051
Energy: 1.2355262287268551
Energy: 1.2406270901411973
Energy: 1.2314327800804628
Energy: 1.2345359770553268
Energy: 1.2637781989728578
Energy: 1.222746822337831
Energy: 1.2197561696933206
Energy: 1.2273104224043494
Energy: 1.2189520360887047
Energy: 1.2487296243074162
Energy: 1.2211403629445663
Energy: 1.2178822372524805
Energy: 1.2182148710824359
Energy: 1.2659842864901898
Energy: 1.216653744297942
Energy: 1.230466839315611
Energy: 1.2320679717320289
Energy: 1.232139288908089
Energy: 1.2327620559194397
Energy: 1.2281145726570857
Energy: 1.2321474626575044
Energy: 1.2320144466354883
Energy: 1.221755740053777
Energy: 1.2307317320656677
Energy: 1.2304236014732963
Energy: 1.2285096879794115
Energy: 1.2300150634312284
Energy: 1.2291162482263023
Energy: 1.3161220849015716
Energy: 1.2074589522061605
Energy: 1.2042484150602655
Energy: 1.2817797149059698
Energy: 1.2066175461812185
Energy: 1.204711511446997
Energy: 1.4543605020721426
Energy: 1.202522191417159
Energy: 1.2047531800804665
Energy: 1.2275762689248098
Energy: 1.200448932665127
Energy: 1.227314366690473
Energy: 1.2683182619014541
Energy: 1.2293866488979166
Energy: 1.2264495266042446
Energy: 1.215243218327951
Energy: 1.2583057564328899
Energy: 1.2267396361904592
Energy: 1.270169551632398
Energy: 1.2572222998388605
Energy: 1.2295378063780762
Energy: 1.215083635390287
Energy: 1.2584880926022906
Energy: 1.2276571085048946
Energy: 1.4581135874370854
Energy: 1.2278000660743948
Energy: 1.2282469093903576
Energy: 1.2290727216694417
Energy: 1.2274680393795236
Energy: 1.2287238151482067
Energy: 1.4554913743976086
Energy: 1.229864981464501
Energy: 1.23058924845627
Energy: 1.2327044929697322
Energy: 1.2293501592871703
Energy: 1.2316338654205667
Energy: 1.2949743080981604
Energy: 2.3354510340174457
Energy: 1.2371534323906836
Energy: 1.192538399031467
Energy: 1.2331966378932857
Energy: 1.236814822285696

minimum gb energy = 1.1903691685529112 eV
minimum distance =  2.20704186816706 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.020376307131327827
Energy: 0.021407539322592727
Energy: 0.021382278774477896
Energy: 0.022974101723732727
Energy: 1.0743432732575178
Energy: 0.02104067292315444
Energy: 0.021591435772470382
Energy: 0.1688698066249314
Energy: 0.16641750198812766
Energy: 0.1685816087133071
Energy: 0.168827439095948
Energy: 0.16648512963498013
Energy: 1.6198233656909564
Energy: 1.0623942722318631
Energy: 1.0600588130825743
Energy: 1.0605235015729837
Energy: 1.0602740552909942
Energy: 1.0601580843940603
Energy: 0.021591435771119046
Energy: 0.16886980662446363
Energy: 0.16641750198854344
Energy: 0.1685816087137749
Energy: 0.16882743909735132
Energy: 0.1664851296359157

minimum gb energy = 0.020376307131327827 eV
minimum distance =  2.45509267961203 Angstroms
sigma value = 1