Model name: model_name=MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_001
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=3.5213917568326
cohesive_energy=4.450350014971251
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=[2.46424379369004e-19, 3.2431099207764596e-19, 3.8238669070687797e-19, 4.2934809002605197e-19, 4.68817711404642e-19, 5.02724575509984e-19, 5.322430778147999e-19, 5.58159887046384e-19, 5.810293563201e-19, 6.01261642854252e-19, 6.1917237544573795e-19, 6.35011493649462e-19, 6.48982473897942e-19, 6.612487382078459e-19, 6.719496759463319e-19, 6.81202246007682e-19, 6.89110589873106e-19, 6.95759622904206e-19, 7.012278517560479e-19, 7.055809656706259e-19, 7.088798473600319e-19, 7.11180573006456e-19, 7.1252800355565e-19, 7.1296860213e-19, 7.12492755669702e-19, 7.109514617477939e-19, 7.081444482850259e-19, 7.038361953161999e-19, 6.977431175770979e-19, 6.895223492680439e-19, 6.787573244641979e-19, 6.64941755349216e-19, 6.474539973891059e-19, 6.2552981232945e-19, 5.982159050730179e-19, 5.6432346055738195e-19, 5.223480349232159e-19, 4.70376629269524e-19, 4.0594830028648193e-19, 3.2586510341262596e-19, 2.25913314100536e-19, 1.0047233650047659e-19, -5.806480382812079e-20, -2.60190281008332e-19, -5.206417168080059e-19, -8.605915550101259e-19, -1.3112662182113519e-18, -1.9200965434846197e-18, -2.76173595109116e-18, -3.95894641908132e-18, -5.724208612656179e-18, -8.450680656032999e-18, -1.2930478677061378e-17, -2.09550284137494e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018089586577419357
Energy: 0.01842852092692428
Energy: 0.018679691035594425
Energy: 0.018352058494151814
Energy: 0.6727423199928497
Energy: 0.01866592681120801
Energy: 0.018428520926299995
Energy: 0.13908116008942867
Energy: 0.13907927545092238
Energy: 0.13885805557693381
Energy: 0.13896024579548125
Energy: 0.13901527407778877
Energy: 0.01867969103654921
Energy: 0.13907927545092238
Energy: 0.14030380869658116
Energy: 0.0187367539228507
Energy: 0.1388625400197055
Energy: 0.13972773337870756
Energy: 0.018352058492866526
Energy: 0.13885805557660327
Energy: 0.0187367539231812
Energy: 0.018442864366889748
Energy: 0.13887682205387764
Energy: 0.018731129997682547
Energy: 0.672742319993474
Energy: 0.13896024579581176
Energy: 0.138862540019375
Energy: 0.13887682205417143
Energy: 0.13890016026349528
Energy: 0.13894783533679692
Energy: 0.018665926810877507
Energy: 0.13901527407745828
Energy: 0.13972773337870756
Energy: 0.01873112999735204
Energy: 0.1389478352650778
Energy: 0.018613910668888102

minimum gb energy = 0.018089586577419357 eV
minimum distance =  2.48704387644542 Angstroms
sigma value = 1


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

Energy: 1.7399168410013803
Energy: 1.1389012304404498
Energy: 1.2098189075664803
Energy: 1.2828549796568915
Energy: 1.866137864094614
Energy: 1.3798092339113908
Energy: 1.7258159730093918
Energy: 1.2149575399302477
Energy: 1.1513184706671187
Energy: 1.1034627017200132
Energy: 1.2070959536759962
Energy: 1.141877387742972
Energy: 1.8508154433808959
Energy: 1.2187654693479102
Energy: 1.1533811593251515
Energy: 1.1149388959254847
Energy: 1.2079345236431596
Energy: 1.162811561467576
Energy: 1.8223950910515594
Energy: 1.1772013541876851
Energy: 1.110427712362455
Energy: 1.1052818411420033
Energy: 1.1709003742763622
Energy: 1.1097947114983493
Energy: 1.6572556131846583
Energy: 1.1451974349022325
Energy: 1.1480463095207125
Energy: 1.0949479664212058
Energy: 1.1335816980355768
Energy: 1.1474814896286114
Energy: 1.6305938853940447
Energy: 1.1317458277804728
Energy: 1.1425075525611605
Energy: 1.1238914088824343
Energy: 1.134081131617517
Energy: 1.1159842451163209
Energy: 1.6311815854230403
Energy: 1.1262934890951
Energy: 1.1093066806796243
Energy: 1.1245301686123157
Energy: 1.0279640917265533
Energy: 1.1237869765938875
Energy: 1.6347899356352187
Energy: 1.1167303409967495
Energy: 1.1149739717000393
Energy: 1.000819268053458
Energy: 1.1131950634887184
Energy: 1.1239856409596307
Energy: 1.3108048765258506
Energy: 1.1246366204378069
Energy: 1.1288773308756062
Energy: 1.1327124806984041
Energy: 1.1371679060900743
Energy: 1.1315283660482762
Energy: 1.311175152681737
Energy: 1.1482216259663152
Energy: 1.1320363388225487
Energy: 1.1340884871238472
Energy: 1.1092188179691003
Energy: 1.1437780215873778
Energy: 1.3906288500345627
Energy: 1.1242539202171296
Energy: 1.0729410094932825
Energy: 1.300481605108531
Energy: 1.1249485652348516
Energy: 1.091444445721209
Energy: 1.2075730510591531
Energy: 1.1402892579849404
Energy: 1.1524751901516481
Energy: 1.207777501447872
Energy: 1.1560563507219521
Energy: 1.1539728570818597
Energy: 1.2070923706165468
Energy: 1.1256053538230404
Energy: 1.140682859772167
Energy: 1.2071990902004062
Energy: 1.124917415292868
Energy: 1.179737621420672
Energy: 1.3599284571030732
Energy: 1.1101205966000378
Energy: 1.106005745909829
Energy: 1.2305135251994552
Energy: 1.1121088827993675
Energy: 1.1543231705963817
Energy: 1.2391014396099302
Energy: 1.1333519858251653
Energy: 1.1417808966528038
Energy: 1.1821099601824425
Energy: 1.0949137165354337
Energy: 1.1404530342621448
Energy: 1.2431253292817168
Energy: 1.1435988839971558
Energy: 1.1550345369428663
Energy: 1.1848927543228063
Energy: 1.1599267663580837
Energy: 1.1916969350090652
Energy: 1.4555698031108435
Energy: 1.1234486240017074
Energy: 1.1234234306433954
Energy: 1.1926244347991206
Energy: 1.1235092449318893
Energy: 1.1462529132187969
Energy: 1.4477380408270577
Energy: 1.1523918881076942
Energy: 1.1324528319470843
Energy: 1.1178240165776205
Energy: 1.025812282577054
Energy: 1.114370124641172
Energy: 1.4465497426012366
Energy: 1.1169327141444556
Energy: 1.1140718758386974
Energy: 1.1156193181248517
Energy: 1.1169647015128816
Energy: 1.1423775993793566
Energy: 1.7389043240259
Energy: 1.130583659558816
Energy: 1.1259004155612813
Energy: 0.9683196587629754
Energy: 1.1187412876004568
Energy: 1.142570170919862
Energy: 1.7211552703711548
Energy: 1.0824859446979223
Energy: 1.1236819288483877
Energy: 1.118594239934798
Energy: 1.1227299344390527
Energy: 1.1238443332250327
Energy: 1.7307180711798391
Energy: 1.193284447749398
Energy: 1.1612196166355622
Energy: 1.1378331293157922
Energy: 1.186621313539103
Energy: 1.153944449079961
Energy: 1.7269399737371434
Energy: 1.216745435230001
Energy: 1.1430495792112343
Energy: 1.0397382862856277
Energy: 1.1820732057298733
Energy: 1.1423828427643843

minimum gb energy = 0.9683196587629754 eV
minimum distance =  2.29780937251044 Angstroms
sigma value = 33


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

Energy: 2.178065479147649
Energy: 1.2518202460369352
Energy: 1.1257222690792485
Energy: 1.1250632041655038
Energy: 1.3670778844429348
Energy: 1.1246199460656265
Energy: 1.7928671460780792
Energy: 1.1991378169404583
Energy: 1.23405215492936
Energy: 1.1963071586979677
Energy: 1.1966368401389855
Energy: 1.198898383682335
Energy: 1.6625028011805123
Energy: 1.20213538933241
Energy: 1.2194930054872672
Energy: 1.1328867225370864
Energy: 1.201968756058368
Energy: 1.150771306209507
Energy: 1.605089056159942
Energy: 1.201323960995531
Energy: 1.1890079617371974
Energy: 1.1245210357153526
Energy: 1.2018458326235393
Energy: 1.1253691844404303
Energy: 1.79427761840701
Energy: 1.2208537614945203
Energy: 1.232860406768569
Energy: 1.1974736478977699
Energy: 1.1890347854907346
Energy: 1.234475314708037
Energy: 1.606668040076931
Energy: 1.1834290120739404
Energy: 1.152377631911396
Energy: 1.1268762796577685
Energy: 1.183986588982568
Energy: 1.1517727233546136
Energy: 1.6060553946724445
Energy: 1.1615572693746161
Energy: 1.1522546949935932
Energy: 1.1270571507427907
Energy: 1.2057149068200397
Energy: 1.152099286362207
Energy: 1.4592087865414085
Energy: 1.1527474626685676
Energy: 1.149732326064876
Energy: 1.2538924088147412
Energy: 1.1478019225899454
Energy: 1.1478095644096937
Energy: 1.2838978972154023
Energy: 1.1488785753006607
Energy: 1.1513351987002811
Energy: 1.1828630126651143
Energy: 1.1490234935997936
Energy: 1.151780618887154
Energy: 1.2857709459390463
Energy: 1.160453975342923
Energy: 1.1618450033843442
Energy: 1.1815395556748682
Energy: 1.1965350234296663
Energy: 1.198098029782739
Energy: 1.2715649269743643
Energy: 1.071511075803745
Energy: 1.0718208748312137
Energy: 1.2713601463895448
Energy: 1.0715037027614585
Energy: 1.0719802376046863
Energy: 1.1967129837641342
Energy: 1.1517425458910748
Energy: 1.1591041391389652
Energy: 1.1965072721279129
Energy: 1.2242619162341841
Energy: 1.1988268923478131
Energy: 1.2003791665525123
Energy: 1.1505925004150248
Energy: 1.1504100047283263
Energy: 1.2004822085851983
Energy: 1.151522172131966
Energy: 1.1911970151533244
Energy: 1.3119852917906156
Energy: 1.12508597514914
Energy: 1.1248999840292873
Energy: 1.2126139806666898
Energy: 1.1247729693477653
Energy: 1.141565110293272
Energy: 1.2921368306007617
Energy: 1.1998613458973553
Energy: 1.1599994472937054
Energy: 1.1866612840019886
Energy: 1.1973798634058723
Energy: 1.2339425674214075
Energy: 1.284335909399011
Energy: 1.1928972068070196
Energy: 1.15242811064009
Energy: 1.1837861387945656
Energy: 1.1273006978740043
Energy: 1.1516341200681195
Energy: 1.4591513177935913
Energy: 1.1273297421029411
Energy: 1.1271383155424464
Energy: 1.179456743213216
Energy: 1.1271946673922615
Energy: 1.1282033281150181
Energy: 1.3759171860605586
Energy: 1.2037206053533498
Energy: 1.161654667049007
Energy: 1.1477740245208017
Energy: 1.2256748076036725
Energy: 1.1498382996874599
Energy: 1.3807806795842386
Energy: 1.1823117775717589
Energy: 1.152604107985122
Energy: 1.1491341262858792
Energy: 1.1834855748334494
Energy: 1.1515386647284045
Energy: 1.6149351088912955
Energy: 1.1818264174088258
Energy: 1.191697323943654
Energy: 1.1509345151166719
Energy: 1.1820868386792265
Energy: 1.1971083788137422
Energy: 1.8382612267956746
Energy: 1.1225659720565166
Energy: 1.0713661634638287
Energy: 1.0715362119626013
Energy: 1.1749543796759145
Energy: 1.0715279218345126
Energy: 1.8385392710642656
Energy: 1.1990383107441054
Energy: 1.231162108145783
Energy: 1.2244056043078027
Energy: 1.199118297208327
Energy: 1.1968382558942188
Energy: 1.6154649889609887
Energy: 1.2006562380286492
Energy: 1.2318241692544443
Energy: 1.2319170703305817
Energy: 1.2003880447103115
Energy: 1.150031355090535
Energy: 1.7836712565566872
Energy: 1.201154220319081
Energy: 1.7748591840464227
Energy: 1.125321178656013
Energy: 1.2046638179331228
Energy: 1.1405612209375349
Energy: 1.6154809836146082
Energy: 1.2230133727200467
Energy: 1.2339486848142276
Energy: 1.2319215741286764
Energy: 1.2214889635711261
Energy: 1.1598287933959899
Energy: 1.6154095046715602
Energy: 1.182755168310605
Energy: 1.1930007773936244
Energy: 1.1627290465335232
Energy: 1.1834982885969536
Energy: 1.1503309906386838
Energy: 1.605766975978639
Energy: 1.1280144776022898
Energy: 1.1293591881501033
Energy: 1.1269064912341533
Energy: 1.1413385122022344
Energy: 1.1266335176563937
Energy: 1.459070358272731
Energy: 1.1499589303041982
Energy: 1.1513268894986342
Energy: 1.249769444584766
Energy: 1.1495759591235692
Energy: 1.1604910685804501
Energy: 1.2861373663197868
Energy: 1.1503471984598286
Energy: 1.1507490805117206
Energy: 1.1823982199069394
Energy: 1.1492996587370488
Energy: 1.1526494931346647
Energy: 1.2862638960502004
Energy: 1.1509228032654466
Energy: 1.192689680443154
Energy: 1.1818237747102325
Energy: 1.152098748642651
Energy: 1.1920737549622922
Energy: 1.3978249353522418
Energy: 1.071574639070996
Energy: 1.0713512662818576
Energy: 1.2011230623801292
Energy: 1.0720158795336645
Energy: 1.071333426691201
Energy: 1.199045695829637
Energy: 1.1522723805310824
Energy: 1.1517765093919554
Energy: 1.2015094277734084
Energy: 1.1883430252501286
Energy: 1.1525358372597405
Energy: 1.199806531779194
Energy: 1.159852907463151
Energy: 1.16000561870111
Energy: 1.2008367560538582
Energy: 1.1597922442732518
Energy: 1.2225936860873055
Energy: 1.2013926330219937
Energy: 1.1250467768253716
Energy: 1.1246982454435441
Energy: 1.2011876486052666
Energy: 1.1245037245944478
Energy: 1.1418131317983786
Energy: 1.2900786865668021
Energy: 1.1510420165535262
Energy: 1.150217342305618
Energy: 1.2220717413938211
Energy: 1.151853337819739
Energy: 1.1514681909814353
Energy: 1.28504912457483
Energy: 1.1519783340190886
Energy: 1.150120913442025
Energy: 1.184358096160534
Energy: 1.2357288742684007
Energy: 1.1510386993849224
Energy: 1.2849584933004432
Energy: 1.1267335521985924
Energy: 1.1269405021842813
Energy: 1.1866944765104606
Energy: 1.1270907530987793
Energy: 1.126518555315735
Energy: 1.383553988815232
Energy: 1.1930092957024032
Energy: 1.1518409937425438
Energy: 1.1492212596642515
Energy: 1.1948108251323122
Energy: 1.1522451660931021
Energy: 1.3750788911321594
Energy: 1.1818761407575673
Energy: 1.1621168758674356
Energy: 1.1481087038906872
Energy: 1.1818486795054683
Energy: 1.1493544231339803
Energy: 1.6146804696700057
Energy: 1.182846250786868
Energy: 1.1913037820681234
Energy: 1.1624093423217896
Energy: 1.1833030726406937
Energy: 1.1915412521328097
Energy: 1.834196915232295
Energy: 1.1886427794657644
Energy: 1.1203549623021605
Energy: 1.0716938070651023
Energy: 1.1884412273105682
Energy: 1.1198266640477887

minimum gb energy = 1.071333426691201 eV
minimum distance =  2.30280637352911 Angstroms
sigma value = 51


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

Energy: 2.0011665408232466
Energy: 1.2164631764349159
Energy: 1.2171371146535392
Energy: 1.0712736135472023
Energy: 1.2095887119480244
Energy: 1.1532393651860922
Energy: 1.692299807019882
Energy: 1.2085959763781475
Energy: 1.214701770858245
Energy: 1.0280965381145526
Energy: 1.2076233024520076
Energy: 1.2570110149737945
Energy: 1.6540760863269202
Energy: 1.2050416034253588
Energy: 1.1900655314251551
Energy: 1.1726663725046738
Energy: 1.2057437410484437
Energy: 1.2186542761135584
Energy: 1.6536757811045393
Energy: 1.167914731312873
Energy: 1.2018647506206424
Energy: 1.1237497966876706
Energy: 1.1585999027999978
Energy: 1.1870487161273955
Energy: 1.7712991484742788
Energy: 1.2130253336238093
Energy: 1.2119218637215958
Energy: 1.0762857247106306
Energy: 1.2123011338895067
Energy: 1.2049128199194907
Energy: 1.3997080431621756
Energy: 1.1938423565454863
Energy: 1.1611827867717421
Energy: 1.2562111573223655
Energy: 1.2279904163065085
Energy: 1.1377648134858511
Energy: 1.399351871301837
Energy: 1.1946695270257517
Energy: 1.1996680419295962
Energy: 1.2561451681696925
Energy: 1.1368581321749853
Energy: 1.191531532106497
Energy: 1.5382261401422959
Energy: 1.1046677762987307
Energy: 1.0885909291148308
Energy: 1.15056632801755
Energy: 1.1070255429212295
Energy: 1.087595815554756
Energy: 1.2051322890797453
Energy: 1.2342554209301546
Energy: 1.1922998144207555
Energy: 1.2052679640219925
Energy: 1.234323667701974
Energy: 1.1889413961940927
Energy: 1.2080406023252659
Energy: 1.2065377879956136
Energy: 1.2155521393789226
Energy: 1.2079075501521923
Energy: 1.1623939544126562
Energy: 1.216087531746106
Energy: 1.209469910620162
Energy: 1.0825528890553482
Energy: 1.0806669471054615
Energy: 1.2066339276458002
Energy: 1.1669951888384873
Energy: 1.3135079045274758
Energy: 1.255714149666997
Energy: 1.11899838385637
Energy: 1.216088616304453
Energy: 1.2089715155022729
Energy: 1.1535371651838444
Energy: 1.2161627000434214
Energy: 1.2532193708703248
Energy: 1.225236013426124
Energy: 1.1883605084655426
Energy: 1.2066364077896943
Energy: 1.2246014105518261
Energy: 1.1942201668226224
Energy: 1.255923661612611
Energy: 1.1272450539682597
Energy: 1.141492020355336
Energy: 1.2050999207565973
Energy: 1.1263451729943703
Energy: 1.1405640171034077
Energy: 1.4872674115994313
Energy: 1.2248010069103623
Energy: 1.2209445733132258
Energy: 1.2311556306880829
Energy: 1.3098368428454272
Energy: 1.2211604397068345
Energy: 1.4872994370948354
Energy: 1.2050950559069484
Energy: 1.210231828226725
Energy: 1.2497430099491342
Energy: 1.2047489512948242
Energy: 1.247415432372706
Energy: 1.7417611723615827
Energy: 1.2064464473597567
Energy: 1.2052937495810618
Energy: 1.21986575702753
Energy: 1.2061739678120724
Energy: 1.2111878658285131
Energy: 1.8151476491269303
Energy: 1.2432232843287305
Energy: 1.2053143014826488
Energy: 1.107822544653552
Energy: 1.2431549890900724
Energy: 1.2272286264706775

minimum gb energy = 1.0280965381145526 eV
minimum distance =  2.29929274465583 Angstroms
sigma value = 19


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

Energy: 1.6219517109826325
Energy: 1.1177515663216073
Energy: 1.2781416715034584
Energy: 1.3667407409048513
Energy: 1.0628959214271567
Energy: 1.0469718173002678
Energy: 1.6600962397342656
Energy: 1.0845655332523723
Energy: 1.0843004240851348
Energy: 1.1634379878977048
Energy: 1.0844473660607064
Energy: 1.186758525798759
Energy: 1.681762800673909
Energy: 1.0845653934691935
Energy: 1.0846729678031297
Energy: 1.3058860592200596
Energy: 1.0844823930607699
Energy: 1.1879971540285197
Energy: 1.3396147932581728
Energy: 1.0844924952523038
Energy: 1.084557418091573
Energy: 1.0952128859871442
Energy: 1.0843910775234313
Energy: 1.0847195125500646
Energy: 1.6820218599311232
Energy: 1.186913505178842
Energy: 1.1876952556108655
Energy: 1.3123413782633848
Energy: 1.1881193010946436
Energy: 1.1875625124811908
Energy: 1.3198183456016381
Energy: 1.0528507064028778
Energy: 1.1256297455681221
Energy: 1.1771395835171843
Energy: 1.0527064814249485
Energy: 1.09903163597096
Energy: 1.319498226222374
Energy: 1.1845057099104586
Energy: 1.1831187601602375
Energy: 1.1771226655370715
Energy: 1.2791961673519539
Energy: 1.099670397381639
Energy: 1.28901410221131
Energy: 0.9866003078663077
Energy: 0.9865420108659058
Energy: 1.2904832251122647
Energy: 0.9906284491231011
Energy: 0.986834658844294
Energy: 1.0843804348292094
Energy: 0.9866846411739942
Energy: 1.1435673585909885
Energy: 1.084486886457981
Energy: 0.9867380084692553
Energy: 1.168872607467806
Energy: 1.084394178325045
Energy: 1.2788092222799454
Energy: 1.2786414734949374
Energy: 1.0845070392982097
Energy: 1.279531479802417
Energy: 1.084376004937133
Energy: 1.0843770450551713
Energy: 1.093388760178866
Energy: 1.0934659804061142
Energy: 1.0841729287482624
Energy: 1.0941931255212103
Energy: 1.0859976699273541
Energy: 1.4246089104421318
Energy: 1.278999915264906
Energy: 1.2791529113845233
Energy: 1.1869135040051684
Energy: 1.2798024828175512
Energy: 1.1877864649244076
Energy: 1.0525707288322286
Energy: 1.09917570862783
Energy: 1.1776365457745206
Energy: 1.0527445785790097
Energy: 1.0994283645189862
Energy: 1.1775373016574158
Energy: 1.4247798345245197
Energy: 1.1760556708647532
Energy: 1.176345458241139
Energy: 1.1869005437118298
Energy: 1.1775075362761138
Energy: 1.159376377344747
Energy: 1.567906976358846
Energy: 1.1879120116965551
Energy: 1.2789459189258077
Energy: 0.9870179744649519
Energy: 1.1878949235305707
Energy: 1.168955262666949
Energy: 1.5726317289040777
Energy: 1.286311735786449
Energy: 0.9863926190435729
Energy: 0.9908641147663166
Energy: 1.0861592371396942
Energy: 0.9864755914482702
Energy: 1.6816882974411653
Energy: 1.0843521411052575
Energy: 1.0842784621904509
Energy: 1.2798419596811963
Energy: 1.0845314315007788
Energy: 1.1874148982911548
Energy: 1.3158376773328375
Energy: 1.0845812991957977
Energy: 1.0847051927840932
Energy: 1.0937140268313466
Energy: 1.0845177837440951
Energy: 1.0847965059330944
Energy: 1.3146742566518617
Energy: 1.187886898787702
Energy: 1.1879697695581652
Energy: 1.0937245727730849
Energy: 1.084665486336678
Energy: 1.188065399915323
Energy: 1.3187921522665023
Energy: 1.0527502159483757
Energy: 1.1891687292134643
Energy: 1.0993072077133472
Energy: 1.0526847047374792
Energy: 1.125897973251309
Energy: 1.3171297905460193
Energy: 1.1869087866811026
Energy: 1.270644459948528
Energy: 1.1775907388377362
Energy: 1.1866123684964651
Energy: 1.0998490061566282
Energy: 1.3190548789413374
Energy: 1.2788718759286366
Energy: 1.2784202726561695
Energy: 1.1876922853715814
Energy: 1.279493929872232
Energy: 1.1877328896020674
Energy: 1.2350499870315712
Energy: 0.986568202107043
Energy: 0.9866456541957819
Energy: 1.0630212231844591
Energy: 0.9865113298672513
Energy: 1.0468263788138514
Energy: 1.0846820418898613
Energy: 1.164751475731771
Energy: 1.187077629326404
Energy: 1.0845383378695246
Energy: 1.1437770042854725
Energy: 1.0842575570638968
Energy: 1.0844557773335008
Energy: 1.279529175574213
Energy: 1.1880175711768672
Energy: 1.084462326884995
Energy: 1.2793694755225304
Energy: 1.0846295928110072
Energy: 1.2367527204664515
Energy: 1.0937808839673948
Energy: 1.093936174046293
Energy: 1.0840725516024257
Energy: 1.0949289205775192
Energy: 1.084505020783746
Energy: 1.3190184898092887
Energy: 1.2799505107150486
Energy: 1.278972386703399
Energy: 1.187969242248606
Energy: 1.2794928729754214
Energy: 1.187615453143768
Energy: 1.0526589193313585
Energy: 1.1758153596735599
Energy: 1.0993149921006162
Energy: 1.0525976813424303
Energy: 1.1773151023239312
Energy: 1.124287583505807
Energy: 1.4250094511168643
Energy: 1.1756731875098139
Energy: 1.0995452160010513
Energy: 1.1829525422471534
Energy: 1.1771507676577426
Energy: 1.1595896012679174
Energy: 1.5728470308863833
Energy: 1.189757373210313
Energy: 0.9863790589994453
Energy: 0.9864978508809522
Energy: 1.0850296848208232
Energy: 0.9864296180834733

minimum gb energy = 0.9863790589994453 eV
minimum distance =  2.36941947383737 Angstroms
sigma value = 27


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

Energy: 1.3483091247135484
Energy: 1.2483402507363364
Energy: 1.2485556480489717
Energy: 1.168396870751381
Energy: 1.0906471480670283
Energy: 1.2480429214671804
Energy: 1.3693959815913181
Energy: 1.0905245767315663
Energy: 1.0905159017900887
Energy: 0.9816001158558151
Energy: 1.0904282725960002
Energy: 1.0913715526991044
Energy: 1.181395950694403
Energy: 1.0858192989320063
Energy: 1.085034642348579
Energy: 0.9809128549894301
Energy: 1.086065141358415
Energy: 1.085609544491712
Energy: 1.7901307387694831
Energy: 1.0856577282721662
Energy: 1.0853273777809864
Energy: 0.9126592741632978
Energy: 0.9748233255339186
Energy: 1.0107018481105796
Energy: 1.2880003024143656
Energy: 0.9150119776620311
Energy: 1.0105619503235312
Energy: 0.9819359227227193
Energy: 0.9148075682601517
Energy: 1.0104436534355
Energy: 1.0851551049859403
Energy: 1.1661528338545977
Energy: 1.161475757892386
Energy: 1.0855478073025122
Energy: 1.161988991148843
Energy: 1.0557143904379327
Energy: 1.0958564260363457
Energy: 1.0209092757783529
Energy: 0.8508185157481442
Energy: 1.0959039932513808
Energy: 0.9824516926889234
Energy: 1.0945066160246983
Energy: 1.1512880465303286
Energy: 1.0709582458538447
Energy: 0.9110750158660653
Energy: 1.1496489111294153
Energy: 1.0086326782266608
Energy: 0.9110548020664233
Energy: 1.1828339885539614
Energy: 0.9109894407292568
Energy: 0.850053820749223
Energy: 1.0852407723257393
Energy: 0.9944477582046599
Energy: 0.9605388907895271
Energy: 1.1855939592670164
Energy: 1.0272780759704105
Energy: 1.0691310130988136
Energy: 1.1023402287015585
Energy: 0.912924035665002
Energy: 1.1014410004934043
Energy: 1.181581178801688
Energy: 1.1030425999873286
Energy: 1.1023709101425476
Energy: 1.0853269716582483
Energy: 1.1034096476875417
Energy: 1.10081561405631
Energy: 1.3693959773810325
Energy: 1.0865415136265393
Energy: 1.0863316237642777
Energy: 0.982296222246442
Energy: 1.0853302415316248
Energy: 0.9591802238119895

minimum gb energy = 0.850053820749223 eV
minimum distance =  2.33552351646486 Angstroms
sigma value = 9


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

Energy: 2.17912793221431
Energy: 1.0937351449845467
Energy: 1.0292360448515199
Energy: 1.1180801343736577
Energy: 0.9188090270399569
Energy: 1.345726251387273
Energy: 1.2998036678882179
Energy: 0.9238494056596332
Energy: 0.9245245099893619
Energy: 0.9121272384984525
Energy: 0.9209011289217311
Energy: 0.9198361748608672
Energy: 0.9814628648755944
Energy: 0.9208452847101849
Energy: 0.9209941394803353
Energy: 0.901752805821703
Energy: 0.9194833495498115
Energy: 0.9411665870767504
Energy: 0.9835575283525383
Energy: 0.8946625833365406
Energy: 1.0066534305473722
Energy: 0.9090464590368421
Energy: 1.0558956608791081
Energy: 0.9130646920701734
Energy: 1.3156675197993557
Energy: 0.8523418075760637
Energy: 0.8497181579558295
Energy: 0.9688651732239416
Energy: 0.8522030585460885
Energy: 0.9440618265062724
Energy: 0.9255865986009087
Energy: 0.862588687718146
Energy: 0.8449734339993248
Energy: 0.9261938921221514
Energy: 0.8647231054654819
Energy: 0.9062158029911884
Energy: 0.9251458669154866
Energy: 0.8395248778801809
Energy: 0.8409978186570949
Energy: 0.9264345737201402
Energy: 0.8752154331914181
Energy: 0.9264384170158125
Energy: 0.9223060917474375
Energy: 0.9110264316769827
Energy: 0.8404379786326404
Energy: 0.923289836269468
Energy: 0.9093138228866111
Energy: 0.9243109568833653
Energy: 1.3482117651368761
Energy: 0.8806777824258388
Energy: 0.8808159858565845
Energy: 1.0153049012043962
Energy: 0.8519189942064767
Energy: 1.011363981412124
Energy: 0.885131874324877
Energy: 0.9218040460155996
Energy: 0.8827369205106721
Energy: 0.8697304643810113
Energy: 1.1179531765557202
Energy: 0.9333406033417189
Energy: 0.8847530954543994
Energy: 0.9257243017599973
Energy: 0.9235887084075335
Energy: 0.8487602415494344
Energy: 0.9253439111370609
Energy: 0.9278860178865997
Energy: 1.3351190934814003
Energy: 0.9252015017929421
Energy: 0.9253407903762474
Energy: 0.8495649874335032
Energy: 0.9250619242345275
Energy: 0.9575187065315054
Energy: 1.8931508560665535
Energy: 1.31941545427676
Energy: 1.019342540063453
Energy: 1.0138792940111867
Energy: 1.610207030965409
Energy: 1.3245801552227103
Energy: 1.332124910187692
Energy: 0.9248890405776674
Energy: 0.9733381026992117
Energy: 0.8483888582696197
Energy: 0.9260679792623382
Energy: 0.9151589712381812
Energy: 0.9194362581684459
Energy: 0.9857786449239775
Energy: 0.9488304419806404
Energy: 0.9191274243751356
Energy: 0.9615060416283719
Energy: 0.9908284723911046
Energy: 0.921589333142815
Energy: 0.9225593234074493
Energy: 0.9400437202828167
Energy: 0.9208999392563935
Energy: 0.9032388333123679
Energy: 0.9191385167046063
Energy: 0.9223501308773275
Energy: 0.8463086208605913
Energy: 0.8382026058444886
Energy: 0.9221779854118294
Energy: 0.8467723326251355
Energy: 0.9013313094610875
Energy: 0.9963907947927717
Energy: 0.870320445593241
Energy: 0.9342532001047754
Energy: 0.9972837389863638
Energy: 0.8706309750126597
Energy: 0.9260680390077233
Energy: 0.9849595488055733
Energy: 0.9485628948000281
Energy: 0.9053406775140141
Energy: 0.9195318378154184
Energy: 0.8967645315209036
Energy: 0.9011277319845494
Energy: 0.9805377204240009
Energy: 0.9215347743617358
Energy: 0.8872268517832871
Energy: 0.9200197865270902
Energy: 0.920359446154728
Energy: 0.8871333081561814
Energy: 0.9810344259645062
Energy: 0.9208559481023209
Energy: 0.9189257141584753
Energy: 0.8966417207713432
Energy: 0.9196714307658891
Energy: 0.9044913750150971
Energy: 1.4301803915410678
Energy: 0.9893898875454039
Energy: 0.9452526209239394
Energy: 0.8590675855537852
Energy: 0.9211837567530408
Energy: 0.917899667578514
Energy: 1.0285644292689002
Energy: 0.9205601468569142
Energy: 0.9219843744208195
Energy: 0.8606218211559663
Energy: 0.920924685789427
Energy: 0.8324669269371064
Energy: 0.9845518827340358
Energy: 0.9210607047753461
Energy: 0.920378091712743
Energy: 0.8959232839893707
Energy: 0.921417629383639
Energy: 0.9409474514520964
Energy: 1.3409259329839454
Energy: 1.057886282613266
Energy: 0.9553137321360522
Energy: 0.9082947836427612
Energy: 1.0914283823197548
Energy: 0.9885793556210916
Energy: 1.2051238649485276
Energy: 0.8481939199746473
Energy: 0.8476230357921126
Energy: 0.8957752913778856
Energy: 0.8482567212397744
Energy: 0.9389214133348676
Energy: 1.232779525015919
Energy: 0.8612912237954641
Energy: 0.8620956851465584
Energy: 1.233876826803127
Energy: 0.8613176269117373
Energy: 0.8806201407282037
Energy: 0.9277774522056506
Energy: 0.8477778476683525
Energy: 0.8400555416279173
Energy: 0.9277333331254681
Energy: 0.8484748533868258
Energy: 0.9285722997200883
Energy: 0.9214297279862008
Energy: 0.8518767796864378
Energy: 0.9403035727283134
Energy: 0.9215215561164294
Energy: 0.8517430831370199
Energy: 0.922524139673859
Energy: 1.3067841460943348
Energy: 0.9119444429672615
Energy: 0.872372754122881
Energy: 1.3076942657085422
Energy: 0.9088882170144325
Energy: 0.9510657223937294
Energy: 0.8846452210590402
Energy: 0.8820421348662081
Energy: 0.939754014526981
Energy: 0.8479411350393425
Energy: 0.8755461323023646
Energy: 0.9292213773137374
Energy: 1.59392228911174
Energy: 0.9445913110075194
Energy: 0.9457230152453928
Energy: 0.8714628116836904
Energy: 0.9462750050060065
Energy: 0.9221290684893667
Energy: 1.3326481742013596
Energy: 0.9252647323808286
Energy: 0.9250717647094362
Energy: 0.875801709412582
Energy: 0.9283552473176618
Energy: 0.953585217060286
Energy: 1.1580015719844436
Energy: 0.9262003563484776
Energy: 0.9262563238222385
Energy: 0.8681982342210726
Energy: 0.9256047410716212
Energy: 0.9282529873948111
Energy: 0.9528210611069474
Energy: 0.9262507826495836
Energy: 0.9740406527016399
Energy: 0.8539009923154512
Energy: 0.9259734807654201
Energy: 0.8478444928370764
Energy: 1.0885567488748067
Energy: 0.9442484685147498
Energy: 0.9702590802220818
Energy: 1.072671779678008
Energy: 0.946102527091135
Energy: 0.9269022641218798
Energy: 0.9216763348753836
Energy: 0.9047289170069951
Energy: 0.9270569677240922
Energy: 0.9214705780080863
Energy: 0.901455763548265
Energy: 0.9194382352725351
Energy: 0.9215875969875094
Energy: 0.9030180212508663
Energy: 0.8648453127108174
Energy: 0.9216556646357669
Energy: 0.9041157769370949
Energy: 0.9185917407464405
Energy: 1.3047421301977324
Energy: 1.0132431223933964
Energy: 1.209979319878825
Energy: 1.114202976612646
Energy: 1.0130120564799252
Energy: 1.098918454492695
Energy: 0.98686562786995
Energy: 0.974180459833295
Energy: 0.9028554357320642
Energy: 0.9216448180011184
Energy: 0.9031254557727827
Energy: 0.9018626105749579
Energy: 0.9802364369572045
Energy: 0.8879655072590297
Energy: 0.9076221781691487
Energy: 0.925301448299948
Energy: 0.9217576494760066
Energy: 0.9230621012343195
Energy: 0.9833958361137658
Energy: 0.9222551969591021
Energy: 0.9244029511153374
Energy: 0.9193765048151933
Energy: 0.9210054731624592
Energy: 0.9218303514298904
Energy: 1.0158919633263859
Energy: 0.9203330786628516
Energy: 0.9252299575965623
Energy: 0.8615584231260472
Energy: 0.9207269965579524
Energy: 0.8324915682869053

minimum gb energy = 0.8324669269371064 eV
minimum distance =  2.32443075924782 Angstroms
sigma value = 57


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

Energy: 0.4031654611632534
Energy: 0.9050446751097788
Energy: 0.4173266582750764
Energy: 0.40709980350162106
Energy: 1.5537349185370215
Energy: 0.4039295785932451
Energy: 0.4041681500927939
Energy: 0.4215770727357994
Energy: 0.4220640830560227
Energy: 0.45777581794815897
Energy: 0.45833270337603416
Energy: 0.47543231201520364
Energy: 0.521217961557334
Energy: 0.45934637771597986
Energy: 0.45933489246588605
Energy: 0.4585926800106091
Energy: 0.4595999929640462
Energy: 0.4594312513098813
Energy: 0.5213288451160325
Energy: 0.45946241025587387
Energy: 0.45939826896849323
Energy: 0.4589610122085601
Energy: 0.5209919941481236
Energy: 0.45941273043057956
Energy: 0.5189836426930718
Energy: 0.4045811498673516
Energy: 0.4480061829812401
Energy: 0.5203812182415823
Energy: 0.40383516337199354
Energy: 0.42239436983763995
Energy: 0.45909177502600224
Energy: 0.4040180631451205
Energy: 0.40435391916899427
Energy: 0.42217351211845255
Energy: 0.40384667364226173
Energy: 0.4476034882689197
Energy: 0.4557181080237409
Energy: 0.42176662508883006
Energy: 0.42201685947688783
Energy: 0.45684997524642484
Energy: 0.42168594587893554
Energy: 0.4248460045544476
Energy: 0.4594283151223551
Energy: 0.5278108490532409
Energy: 0.5278030541819466
Energy: 0.4595455590703054
Energy: 0.45910060614070297
Energy: 0.4593901485836354
Energy: 0.5185175690345398
Energy: 0.45952166331731054
Energy: 0.4778144979091316
Energy: 0.45887505175434845
Energy: 0.45899618640126977
Energy: 0.4592449778622914
Energy: 0.4036407414612562
Energy: 0.45902895766152907
Energy: 0.4492971190817528
Energy: 0.40372870135783984
Energy: 0.4597012777959898
Energy: 0.4968079894359065
Energy: 0.4035897348107923
Energy: 0.42167839295341747
Energy: 0.42168695707780857
Energy: 0.4036827893249461
Energy: 0.42186886010415864
Energy: 0.44788283859779027
Energy: 0.5214934432895559
Energy: 0.45892124901729253
Energy: 0.4782628677301517
Energy: 0.4576451784931547
Energy: 0.4587553807391115
Energy: 0.4223129234315654
Energy: 1.7084967190255151
Energy: 0.5210646454338808
Energy: 0.5274145851050903
Energy: 0.5274817388783111
Energy: 0.5210822369630613
Energy: 0.5274801850834009
Energy: 0.520004961553405
Energy: 0.45854721123122044
Energy: 0.4589141503730785
Energy: 0.45884906447905827
Energy: 0.4590595175627302
Energy: 0.42219436292265655
Energy: 0.5212561878201611
Energy: 0.40369687685077804
Energy: 0.40392781392470045
Energy: 0.5211733207481493
Energy: 0.4038404188676257
Energy: 0.4062459309593176
Energy: 0.4588179712273385
Energy: 0.4774649342707174
Energy: 0.4225443296128647
Energy: 0.4587260303653203
Energy: 0.40396365282529484
Energy: 0.4222641186638509
Energy: 0.4592361779317393
Energy: 0.47761423431769784
Energy: 0.47772385534016343
Energy: 0.4593900862708323
Energy: 0.4585490546816767
Energy: 0.4593255563789262
Energy: 0.5211404173133465
Energy: 0.45880517249681174
Energy: 0.5277089267180564
Energy: 0.5210512175417804
Energy: 0.45890778207171895
Energy: 0.4595794545565806
Energy: 0.4036111257732306
Energy: 0.42169761979325043
Energy: 0.42205116422472605
Energy: 0.4038637025164469
Energy: 0.45903294301352915
Energy: 0.4782369893768957

minimum gb energy = 0.4031654611632534 eV
minimum distance =  2.36140642766312 Angstroms
sigma value = 11


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

Energy: 1.6597104080561256
Energy: 1.3464097891126208
Energy: 1.041303242038515
Energy: 1.4057155377327781
Energy: 1.2890983011854582
Energy: 1.3016037604805715
Energy: 0.9801495191681086
Energy: 0.739401391611267
Energy: 0.8209377999967296
Energy: 0.7919955337047865
Energy: 0.6832047171001411
Energy: 0.779615848686115
Energy: 0.67331659035625
Energy: 0.683752998099969
Energy: 0.6808052864426573
Energy: 0.6768645525393018
Energy: 0.677766847037761
Energy: 0.681966951040014
Energy: 0.6939841868134705
Energy: 0.7892893927746417
Energy: 0.7793795065286273
Energy: 0.6771346583987734
Energy: 0.6751543916531072
Energy: 0.6781080381593679
Energy: 0.674599789661081
Energy: 0.9105591375166897
Energy: 0.8535752118089719
Energy: 0.6745202027986515
Energy: 0.9365950387735563
Energy: 0.850858881842657
Energy: 1.0019908768512371
Energy: 0.9550446832032918
Energy: 0.9001607760076145
Energy: 1.0019990612696708
Energy: 0.9343496024709992
Energy: 0.932855300915468
Energy: 1.002137665793456
Energy: 0.7972294110942035
Energy: 0.7947085600606603
Energy: 0.6849097288817312
Energy: 0.8029183070934309
Energy: 0.7840033483317923
Energy: 0.6975319568471439
Energy: 0.7982648610278142
Energy: 0.7935814371619457
Energy: 0.6972098082834157
Energy: 0.7961869700494713
Energy: 0.7866332158633553
Energy: 1.0023808510029815
Energy: 0.7942582926142528
Energy: 0.7812615279789143
Energy: 0.7477946472711776
Energy: 0.7935748781669484
Energy: 0.7834302088900708
Energy: 1.4934714060874577
Energy: 0.9328730192379502
Energy: 0.9321395752717664
Energy: 0.8055033049134734
Energy: 0.9335475633413357
Energy: 0.9332326748186855
Energy: 1.3817445514671503
Energy: 0.8438902703224206
Energy: 0.8943626199877811
Energy: 0.9357055092720332
Energy: 0.7934337789102093
Energy: 0.8813977829627826
Energy: 1.2368633177263393
Energy: 0.6647307637706875
Energy: 0.7557107266069925
Energy: 1.236427072590673
Energy: 0.6741440361221861
Energy: 0.9020387568007813
Energy: 0.9505113328827328
Energy: 0.6603159472826495
Energy: 0.8168750107448404
Energy: 0.949967890008742
Energy: 0.6587582425243557
Energy: 0.8776701194640496
Energy: 0.9369289029113411
Energy: 0.8773448884307593
Energy: 0.8860788738081264
Energy: 0.9380359616444288
Energy: 0.8748253267317536
Energy: 0.8869423193199448
Energy: 1.239892762421011
Energy: 1.2587599728004402
Energy: 1.2519468824066686
Energy: 0.974594774898299
Energy: 0.9911416231369297
Energy: 0.9380778832790834
Energy: 1.3327283036768867
Energy: 0.953121508602249
Energy: 0.8905367286211288
Energy: 0.9614305312946039
Energy: 0.9381679707794136
Energy: 0.8925906228143369
Energy: 1.1270777767745437
Energy: 0.970498963792223
Energy: 0.9958689400009233
Energy: 0.666458906061734
Energy: 1.378255888791271
Energy: 0.8545103456375749
Energy: 1.4474456868210426
Energy: 0.9199417638370434
Energy: 0.8897637471052988
Energy: 0.9254519403178079
Energy: 0.9586379233307069
Energy: 0.8886849648253876
Energy: 1.4087643331825308
Energy: 0.8932097613923942
Energy: 0.9122761414608918
Energy: 0.7969480796557903
Energy: 0.946182603335746
Energy: 0.873082792424288
Energy: 0.9132236963911251
Energy: 0.9516386051268155
Energy: 0.94706557480718
Energy: 0.6829800579172656
Energy: 1.1019890904514285
Energy: 0.8746289257602203
Energy: 1.3338767636328093
Energy: 0.9407375247274151
Energy: 0.8852478860339285
Energy: 0.7936259517526261
Energy: 0.9453100583805011
Energy: 0.8572232367796296
Energy: 1.447689688448693
Energy: 0.944493472494232
Energy: 1.1280442379868603
Energy: 1.4501017707388126
Energy: 1.1291526406211503
Energy: 1.1174860773847641
Energy: 0.7910869552042923
Energy: 0.905702315517055
Energy: 0.8742146050552727
Energy: 0.7920142900910798
Energy: 0.9053381353177626
Energy: 0.871470851523495
Energy: 0.7930347621112894
Energy: 0.6807073958950285
Energy: 0.7953716184448903
Energy: 0.7941732638423513
Energy: 0.6781002078793474
Energy: 0.7858659311636329
Energy: 0.9198534300039969
Energy: 0.6785827857869373
Energy: 0.6794153312474374
Energy: 0.9196299115889782
Energy: 0.6940995730474221
Energy: 0.7958365355241545
Energy: 1.2973470007752632
Energy: 0.7392324811786313
Energy: 0.8459826982124625
Energy: 0.947893071633642
Energy: 0.676180370867196
Energy: 0.8507513389534327

minimum gb energy = 0.6587582425243557 eV
minimum distance =  2.25543204430061 Angstroms
sigma value = 41


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

Energy: 1.5771075914853319
Energy: 0.732961376835195
Energy: 0.7338369460627555
Energy: 1.0806227239254222
Energy: 0.7410798943530504
Energy: 1.0791751464357044
Energy: 0.7748083446350684
Energy: 0.7416567941339619
Energy: 0.8791932566414111
Energy: 0.8811184764346871
Energy: 0.7415045828739267
Energy: 0.8803516581374122
Energy: 0.7455306388955296
Energy: 0.741972798213318
Energy: 0.7408884014932147
Energy: 0.7461640123987074
Energy: 0.7416078186392215
Energy: 0.7487335741270648
Energy: 0.7371799474710248
Energy: 0.7952526320423579
Energy: 0.7869470890347279
Energy: 0.7375826747457893
Energy: 0.7412582559314639
Energy: 0.7584919891907878
Energy: 0.7324536882576457
Energy: 1.0162840693717439
Energy: 1.0014305199160125
Energy: 0.7364775169077808
Energy: 0.9180314433942176
Energy: 0.8777899854806732
Energy: 1.3671002479950034
Energy: 0.7659599714119332
Energy: 0.88470508084316
Energy: 1.3665926951460934
Energy: 0.8690584920770538
Energy: 0.8848615947425262
Energy: 1.1601913902479002
Energy: 0.8813076053513117
Energy: 0.8851655128120615
Energy: 0.742525588258471
Energy: 0.9218456126319453
Energy: 0.8799135058512435
Energy: 0.7754611883395691
Energy: 0.8957930024874685
Energy: 0.8956847525895314
Energy: 0.8869588725271519
Energy: 0.901537504644079
Energy: 0.8151674841104357
Energy: 1.1633403158988822
Energy: 0.8820263342858681
Energy: 0.8804698037094704
Energy: 0.8970330402310709
Energy: 0.8695353372765016
Energy: 0.9448531442586248
Energy: 1.1956327122200001
Energy: 0.8793304883226398
Energy: 0.8837493834521729
Energy: 0.7549957867526516
Energy: 0.8792648184713808
Energy: 0.8858301813839076
Energy: 1.2009821899132058
Energy: 0.8856245473214266
Energy: 1.0115862051213067
Energy: 0.7551120971637095
Energy: 0.885673559465005
Energy: 1.0020805241197748
Energy: 1.5229596511963868
Energy: 0.7190390709287624
Energy: 0.921606424060745
Energy: 1.0817876699189735
Energy: 0.7184319248342771
Energy: 1.010489899295622
Energy: 0.882645764258531
Energy: 0.7687902070385114
Energy: 1.0506879152707531
Energy: 0.8823104810885412
Energy: 0.718741619110634
Energy: 1.0545944571437458
Energy: 0.865831270265202
Energy: 0.9434601438099214
Energy: 0.9444545168791911
Energy: 0.8688795839320811
Energy: 0.905854063744046
Energy: 0.9453068576066095
Energy: 0.9206988496479608
Energy: 0.9900434906973853
Energy: 1.0252304317838323
Energy: 0.9209248757951582
Energy: 0.9897597546913615
Energy: 0.919895311057491
Energy: 0.746628492401716
Energy: 0.7974934665615434
Energy: 0.8794942543108395
Energy: 0.9210678498898057
Energy: 0.7420434722727208
Energy: 0.8810558810578936
Energy: 1.5369833190365345
Energy: 0.737954409206137
Energy: 0.7169176731827638
Energy: 1.0569141954693198
Energy: 0.7357867698634022
Energy: 1.0555725754028584
Energy: 0.7755180346521086
Energy: 0.7740784467848189
Energy: 0.8778873733293862
Energy: 1.0167710502540368
Energy: 0.7422032318952034
Energy: 0.9865799585876764
Energy: 0.7379195769286747
Energy: 0.7414702390755854
Energy: 0.7411404733844941
Energy: 0.7330893949655156
Energy: 0.741782234813305
Energy: 0.7582703548744825
Energy: 0.7406870692986597
Energy: 0.7585929486737949
Energy: 0.7973944567163923
Energy: 0.7464286251383337
Energy: 0.7418179171509194
Energy: 0.742466182966121
Energy: 0.7423468058757038
Energy: 0.8829503948368768
Energy: 0.8793522100842699
Energy: 0.7414042170370053
Energy: 0.8814740687489522
Energy: 0.8790902729060013
Energy: 1.3374181145817818
Energy: 0.8847978469209206
Energy: 0.8833375375154828
Energy: 1.336937012585336
Energy: 0.7484335759447961
Energy: 0.8775187821179985
Energy: 1.1640564813844507
Energy: 0.88241666394499
Energy: 0.8793790069067902
Energy: 0.7413613612090082
Energy: 0.8814770058812924
Energy: 0.8793914191410248
Energy: 0.7751925881976722
Energy: 0.9199040925111268
Energy: 0.9682438624045582
Energy: 0.7743271646081908
Energy: 0.9202290932940919
Energy: 0.8881331148501408
Energy: 1.1601921838281164
Energy: 0.8814578648632251
Energy: 0.8813775392942127
Energy: 0.7427954345266817
Energy: 0.8920248600772248
Energy: 0.8797773085887112
Energy: 1.1992020103434617
Energy: 0.8835412265121287
Energy: 1.0117839089098744
Energy: 0.7548597672620098
Energy: 0.8854789594286416
Energy: 1.0018997726633194
Energy: 1.1955402479972876
Energy: 0.8822738067349999
Energy: 0.8857739940084552
Energy: 0.7547002995137196
Energy: 0.9564987304866264
Energy: 1.0105729029254373
Energy: 1.5262247884544267
Energy: 0.9221521118062496
Energy: 1.0032180398372337
Energy: 0.956682034091582
Energy: 0.7198711164074203
Energy: 1.0030353673958763
Energy: 0.8850665169855209
Energy: 1.0557323655766342
Energy: 1.0552216532682162
Energy: 0.8853100338955339
Energy: 0.7188645993914491
Energy: 1.1129379343339325
Energy: 0.8686585529040637
Energy: 1.0107915719979255
Energy: 1.0010577780086238
Energy: 0.8688204932374826
Energy: 1.042007560549125
Energy: 1.0019084929367885
Energy: 0.8991170998866401
Energy: 0.989925285226693
Energy: 0.8997431955838078
Energy: 0.8996282323336634
Energy: 0.7408889631063108
Energy: 0.9009070964105957
Energy: 1.0997215025757223
Energy: 0.7322428719188728
Energy: 0.8803282054163655
Energy: 1.0999187226731568
Energy: 0.7416057931711045
Energy: 0.8803553370242362
Energy: 1.6108138544967578
Energy: 0.7755706891509384
Energy: 0.8553535642076249
Energy: 0.7331185068848638
Energy: 0.738403806296509
Energy: 0.990158629180852

minimum gb energy = 0.7169176731827638 eV
minimum distance =  2.27659515066888 Angstroms
sigma value = 33


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

Energy: 1.2118291866735083
Energy: 1.0174301448565999
Energy: 0.783252829516376
Energy: 1.0274706867613586
Energy: 1.7553624872914715
Energy: 0.7833546134983763
Energy: 0.8626563983824773
Energy: 0.9592313855809733
Energy: 0.9647659814934716
Energy: 0.9519349583237027
Energy: 0.8197656460917189
Energy: 0.9523829440608197
Energy: 0.8191713440241185
Energy: 0.8058456590354902
Energy: 0.8149996908975267
Energy: 0.8206095009867186
Energy: 0.8829145040098118
Energy: 0.8830537542595389
Energy: 0.8199026118205507
Energy: 0.9197100614564813
Energy: 0.8089259855177591
Energy: 0.8203942204477087
Energy: 0.81612666666262
Energy: 0.8118678239664
Energy: 0.8182752558705112
Energy: 0.8148064496226534
Energy: 0.9513633694503245
Energy: 0.8180583858479659
Energy: 0.8226068373368898
Energy: 0.9515583422853585
Energy: 1.288728305042634
Energy: 0.8237583479341294
Energy: 0.7860455202797104
Energy: 0.8082032331307406
Energy: 0.8607905406345061
Energy: 0.827970234865292
Energy: 0.8638397017135777
Energy: 0.9556157858115033
Energy: 0.9610250619089161
Energy: 0.819745333946664
Energy: 0.9978785903694528
Energy: 0.9646195834893149
Energy: 1.2109444767611077
Energy: 0.7799186240954309
Energy: 0.8242319526933
Energy: 0.9787258285783552
Energy: 0.7804319538111885
Energy: 0.8252577406483685
Energy: 0.8622267577725314
Energy: 0.9554370955094226
Energy: 0.9558221779027435
Energy: 1.0202619360696878
Energy: 0.7843410098745249
Energy: 0.9620061133764689
Energy: 1.3209978572004017
Energy: 0.7842771937949368
Energy: 0.7840343521007183
Energy: 0.8191444935962299
Energy: 0.7838016548175787
Energy: 0.7798841577905595
Energy: 1.3203218678373805
Energy: 0.7850013009469068
Energy: 0.9527727974185516
Energy: 0.8201666703594807
Energy: 0.8164328092516018
Energy: 0.9618320030336429
Energy: 1.2945827284175762
Energy: 0.781813562598662
Energy: 0.9545053446058016
Energy: 1.2957041956027031
Energy: 0.7823268521656846
Energy: 1.1183847952062438
Energy: 0.8097366080144628
Energy: 0.7849365524823599
Energy: 1.1142065607495277
Energy: 0.8088536515012422
Energy: 0.7826634944189627
Energy: 0.7822446441902416
Energy: 0.8197422088471551
Energy: 0.8859246625480909
Energy: 0.8128401394675338
Energy: 0.8200401526979252
Energy: 0.8399734960373144
Energy: 0.8124614171534871
Energy: 0.781391295354105
Energy: 0.8826897933279756
Energy: 0.8041761290190091
Energy: 0.8899627985917677
Energy: 0.8825341046906227
Energy: 0.812772186603778
Energy: 0.8260803814519264
Energy: 0.8198422619331215
Energy: 0.8586145984577217
Energy: 0.8776269639297493
Energy: 0.8193369170865682
Energy: 0.8871441605797152
Energy: 1.3266120713023295
Energy: 0.850779198176501
Energy: 0.7862229654990495
Energy: 0.8593472429231593
Energy: 0.8511311256397803
Energy: 0.7854695709642496
Energy: 1.319360195988298
Energy: 0.9940068705179708
Energy: 0.949764483628977
Energy: 0.8224959744770086
Energy: 0.9931562473559334
Energy: 0.9501485325579118
Energy: 1.2628382315642166
Energy: 0.8147609083969045
Energy: 0.7863845273954271
Energy: 0.7800000709975436
Energy: 0.8572728941668312
Energy: 1.004734374561382
Energy: 0.7840374310886357
Energy: 0.7860112103108814
Energy: 0.7895477493283396
Energy: 0.7840515688335656
Energy: 0.8568126849755777
Energy: 0.9612356238074057
Energy: 0.7844530403470265
Energy: 1.0518202546776225
Energy: 1.0503327261906612
Energy: 0.7845146213084425
Energy: 1.0233265962493747
Energy: 1.036436386163179
Energy: 1.057810185743576
Energy: 0.781408102754841
Energy: 0.7816254204470299
Energy: 1.0574076950601756
Energy: 0.7816123344912754
Energy: 1.0609653970042487
Energy: 0.8248041175408571
Energy: 0.9604658947211941
Energy: 0.9652909287482073
Energy: 0.7838704258924696
Energy: 0.9937942210767206
Energy: 0.9524973130161718
Energy: 0.8609764729271813
Energy: 0.8041176663889236
Energy: 0.7841981577725328
Energy: 0.8703492144907224
Energy: 0.8156709529878863
Energy: 0.7891028406904845
Energy: 1.3235841543662228
Energy: 0.9596160326790734
Energy: 0.9595406878240861
Energy: 0.9557813843636602
Energy: 0.822731848172068
Energy: 0.952642310998135
Energy: 0.819794808192824
Energy: 0.8037872541669437
Energy: 0.8082517267386635
Energy: 0.8202037940038787
Energy: 0.8186555864455397
Energy: 0.8068994280013317
Energy: 0.8192841669146259
Energy: 0.8099554474013728
Energy: 0.8498713852709338
Energy: 0.820354060846533
Energy: 0.8213376115800872
Energy: 0.808266807409448
Energy: 0.8206407974943791
Energy: 0.9533808575314308
Energy: 0.9550428597296807
Energy: 0.8197031167713428
Energy: 0.8206724894382379
Energy: 0.9516198670635261
Energy: 1.340018911712388
Energy: 0.8273136355167089
Energy: 0.7847536077310286
Energy: 1.3399832932480478
Energy: 0.8274170897617297
Energy: 0.783387671052653
Energy: 0.8628775724677485
Energy: 0.9558159249926639
Energy: 0.9539860222492706
Energy: 0.8251248343314221
Energy: 0.9548412785914406
Energy: 0.9626610603694084
Energy: 1.2111805241505262
Energy: 1.0429636179849038
Energy: 0.8780690855715286
Energy: 0.9558467309365729
Energy: 1.0426187780644731
Energy: 0.8184069592869623
Energy: 0.8626465839019509
Energy: 0.9555353951224173
Energy: 0.955107042254594
Energy: 0.9950045553484953
Energy: 0.783989982371856
Energy: 0.9649199701955765
Energy: 1.3207639319179127
Energy: 0.7797495025743733
Energy: 0.780304422462688
Energy: 0.8139957359950012
Energy: 0.7851402763692259
Energy: 0.9622868905952663
Energy: 1.3212069621929285
Energy: 0.8248475611745844
Energy: 0.7796938056023102
Energy: 0.8142958166276641
Energy: 0.7818564868084795
Energy: 0.9612551571683641
Energy: 1.29537614425151
Energy: 0.9550609119476366
Energy: 1.119584574444403
Energy: 0.8198154854134606
Energy: 0.7849972134096955
Energy: 0.949748376016132
Energy: 0.8109580412710884
Energy: 0.9961453467817031
Energy: 0.785297143693148
Energy: 0.8111045671872052
Energy: 0.7830150119143575
Energy: 0.7839261331899389
Energy: 0.8191277612110301
Energy: 0.8928804997375513
Energy: 0.8886610549752529
Energy: 0.8191907803774099
Energy: 0.8398828081980295
Energy: 0.8187512299118804
Energy: 0.8422307518649649
Energy: 0.805094123481894
Energy: 0.8137699615534122
Energy: 0.8425376664031072
Energy: 0.8879632503588903
Energy: 0.8136736014536742
Energy: 0.8200481012422923
Energy: 0.820404319091391
Energy: 0.8834599687754607
Energy: 0.8472638154595356
Energy: 0.819847498183908
Energy: 0.8826864449977979
Energy: 1.32509938034045
Energy: 0.8085022571806995
Energy: 0.8087056780566884
Energy: 0.8201676358559564
Energy: 0.8085059737742246
Energy: 0.7903497224138303
Energy: 1.319683598300208
Energy: 0.9956406600830354
Energy: 0.9494338231219791
Energy: 0.8200565665753091
Energy: 0.817775875042531
Energy: 0.951543476245547
Energy: 0.8194942377678504
Energy: 0.8506997856099093
Energy: 0.7861527590443179
Energy: 0.7813034749577435
Energy: 0.8568646022018426
Energy: 0.9618965563349905
Energy: 0.7823446988913744
Energy: 0.7803608083705714
Energy: 0.7825551204227266
Energy: 0.7795241793993506
Energy: 0.9144182585647117
Energy: 0.7827953580845786
Energy: 0.7838615329151138
Energy: 1.0485417861877553
Energy: 1.0408574619897308
Energy: 0.7845133391766557
Energy: 1.0223466003539077
Energy: 1.0393512643493998
Energy: 1.041768264546386
Energy: 0.7817048333064203
Energy: 0.7855878381443472
Energy: 1.0420177643388224
Energy: 0.7815495740887899
Energy: 0.8041644820489193
Energy: 0.8207151878941786
Energy: 0.9953024828791313
Energy: 0.962688196179024
Energy: 0.8257810641952158
Energy: 0.8199031066600672
Energy: 0.9629959328449414
Energy: 1.7877530488997155
Energy: 0.8107071926803617
Energy: 0.7824330867482856
Energy: 0.7813479316770263
Energy: 1.1507322517190492
Energy: 0.7832531582497492

minimum gb energy = 0.7795241793993506 eV
minimum distance =  2.34491811087088 Angstroms
sigma value = 67


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

Energy: 1.4870144058577537
Energy: 0.8817585813628903
Energy: 0.8777125810174522
Energy: 0.8780071606166706
Energy: 0.8911779019643561
Energy: 0.877717125162577
Energy: 0.923498776438324
Energy: 0.8631547450496356
Energy: 0.8624227234915017
Energy: 0.8621846834296392
Energy: 0.8624783017101544
Energy: 0.8624207170874747
Energy: 0.8644285286629521
Energy: 0.8466572917187227
Energy: 0.858022963691772
Energy: 0.8914005351677939
Energy: 0.846569538567766
Energy: 0.8573266379133171
Energy: 0.8682471444889155
Energy: 0.8592189056131024
Energy: 0.8583126868849085
Energy: 0.8675159003088491
Energy: 0.8550440115387751
Energy: 0.857868957228635
Energy: 0.8849762118465324
Energy: 0.8622124849439978
Energy: 0.8625382669320684
Energy: 0.8852280120100829
Energy: 0.8620507376044466
Energy: 0.8632044640281247
Energy: 0.8883579871819423
Energy: 0.887903851551696
Energy: 0.8716230741351764
Energy: 0.8886116252614737
Energy: 0.8878315678659519
Energy: 0.8909632538189716
Energy: 0.9137880252404802
Energy: 0.8628678133003032
Energy: 0.8624662717811323
Energy: 0.9264458949156619
Energy: 0.861841485351821
Energy: 0.8618541809700232

minimum gb energy = 0.846569538567766 eV
minimum distance =  2.3469406704202 Angstroms
sigma value = 3


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

Energy: 2.04677346951006
Energy: 1.1084155235035573
Energy: 0.9583907949568656
Energy: 0.9808845512251672
Energy: 1.1072093855202223
Energy: 0.9588879399290973
Energy: 0.9219274130217538
Energy: 1.0218386194364408
Energy: 0.9271547064420986
Energy: 0.9654147473870959
Energy: 1.2978657322971303
Energy: 0.9276271703369979
Energy: 1.023765090379817
Energy: 0.9244478111085397
Energy: 0.9425353243311281
Energy: 1.0252231820062188
Energy: 0.9248801727830721
Energy: 0.9513202669798263
Energy: 0.9623031251962474
Energy: 0.929878318828121
Energy: 0.9307701798945075
Energy: 0.9645353536498665
Energy: 0.9225200993821231
Energy: 0.9293915585102573
Energy: 0.9318111715814962
Energy: 0.9268309591703225
Energy: 0.934699677323063
Energy: 0.9317144469069921
Energy: 1.0007573463582145
Energy: 0.9290239704465708
Energy: 0.9286504362733581
Energy: 0.930957421901007
Energy: 0.9277952675235851
Energy: 0.9286264964076689
Energy: 0.9858937984629832
Energy: 0.9289894039738817
Energy: 0.9259271006609737
Energy: 1.1169126128009668
Energy: 1.0739185787921035
Energy: 1.0061866441734901
Energy: 1.1158668858044611
Energy: 1.026228632899751
Energy: 1.2021982005952012
Energy: 1.4811551397942346
Energy: 1.260766828992166
Energy: 0.9496735037080103
Energy: 1.488048224097203
Energy: 1.0957119841745389
Energy: 1.0904403952781796
Energy: 0.9420506809148399
Energy: 1.021415937217278
Energy: 1.0469672816405426
Energy: 1.1002994650174527
Energy: 1.0320426386430652
Energy: 1.3344251045383584
Energy: 0.969446597418677
Energy: 0.9695634309405142
Energy: 1.333724771728995
Energy: 0.9772416504643556
Energy: 0.9538803804535452
Energy: 1.0853991992372476
Energy: 0.9766662911023146
Energy: 1.1008543482149495
Energy: 1.086435075724034
Energy: 0.9355058634950995
Energy: 1.0570420094891961
Energy: 1.0824212429313307
Energy: 0.9280582974053208
Energy: 0.9275199523135602
Energy: 1.0830371664348293
Energy: 0.9453247396669106
Energy: 0.9285404588552035
Energy: 1.0244193222494207
Energy: 0.9287691805829307
Energy: 0.931262297849617
Energy: 1.0359349021543427
Energy: 0.9276378184639338
Energy: 0.9284625711136067
Energy: 1.0214626681925842
Energy: 0.9334997771517676
Energy: 0.9237223381078586
Energy: 0.9975002310217508
Energy: 0.9294471885798543
Energy: 0.9243205152738391
Energy: 1.0982610915181243
Energy: 1.1158700146457092
Energy: 1.1008501989099582
Energy: 0.9248031606062672
Energy: 0.9501506971554409
Energy: 0.9622557805929635
Energy: 1.3179739121064005
Energy: 0.9289912294785412
Energy: 0.9251824462555165
Energy: 1.218874060601315
Energy: 0.9845179923335057
Energy: 1.002224087111946
Energy: 1.112069630195524
Energy: 0.9469239760368121
Energy: 0.9472351541076861
Energy: 1.1136214234819939
Energy: 0.94727091763427
Energy: 1.008466323120923
Energy: 1.3092601140160496
Energy: 1.0361918322150379
Energy: 0.992317342974658
Energy: 1.3199622226942866
Energy: 0.9425951457428828
Energy: 1.0063415882054978
Energy: 1.4385580596035747
Energy: 0.9657176689588599
Energy: 0.9671468677051427
Energy: 1.3365978462909445
Energy: 1.298380563421985
Energy: 0.9719666549569332
Energy: 1.212956558504725
Energy: 0.9904824549322333
Energy: 0.9956851086017249
Energy: 0.9707629637996253
Energy: 1.01334791219104
Energy: 0.9631482414248754
Energy: 0.9597432807961174
Energy: 0.9977638920998576
Energy: 0.995464331143245
Energy: 0.9733721668099921
Energy: 1.0088658361496012
Energy: 1.0088051227972132
Energy: 0.9598230125726697
Energy: 0.9964166244348822
Energy: 0.9893883243853633
Energy: 1.001942824346016
Energy: 0.9979792498268202
Energy: 0.9856926772217142
Energy: 0.9592806010599834
Energy: 0.9883715370881697
Energy: 1.0223533615455762
Energy: 0.9621519504150077
Energy: 1.0186697500698734
Energy: 0.9920905147462129
Energy: 0.9509412746614823
Energy: 0.958858317224916
Energy: 0.9669397846404912
Energy: 0.9518012206624273
Energy: 0.9675983553668284
Energy: 0.9499777086790548
Energy: 0.9543367404932764
Energy: 0.9198661390998023
Energy: 0.9191537969569442
Energy: 0.9750335017782374
Energy: 1.2500136075197714
Energy: 0.9222369480355131
Energy: 1.3826030886983591
Energy: 1.0767116005165336
Energy: 1.0752047849843307
Energy: 1.0534913885361548
Energy: 1.3935741245114615
Energy: 0.9288434469727304
Energy: 1.462478647584061
Energy: 1.0713174710835474
Energy: 1.076948282075708
Energy: 1.1381332136394924
Energy: 1.1335188452218985
Energy: 0.9553679255766128
Energy: 0.9533655962714676
Energy: 0.9195834461313562
Energy: 0.9196984420139024
Energy: 0.9747678031182155
Energy: 1.2087812553787007
Energy: 0.9192000908033525
Energy: 0.9594676984383973
Energy: 0.9349072288609561
Energy: 0.9431366622630799
Energy: 0.9595722055265197
Energy: 0.9237487317479384
Energy: 0.9476472323667916
Energy: 0.932954457923133
Energy: 0.9841252029230864
Energy: 0.9580344570271193
Energy: 0.9353099088580278
Energy: 1.0033386353299873
Energy: 0.9472392860000526
Energy: 0.9359311679045282
Energy: 0.989733697985682
Energy: 0.9866563304325005
Energy: 0.9512311996081225
Energy: 0.9889925710076894
Energy: 0.9837213223527616
Energy: 0.961093209372136
Energy: 1.0037024946454287
Energy: 1.0040002976073752
Energy: 0.9876168299513517
Energy: 1.1575337552136924
Energy: 0.990083418344382
Energy: 1.3807295938957826
Energy: 1.0280250676557714
Energy: 1.0297784095358538
Energy: 0.9240688784059402
Energy: 1.0311277823790004
Energy: 0.9473466243024696
Energy: 1.4586913463033724
Energy: 1.0297714596214989
Energy: 1.028932819729909
Energy: 1.1319494596535398
Energy: 1.1282823400554012
Energy: 1.0685609479888007
Energy: 1.0719367224449874
Energy: 0.9917320800203722
Energy: 1.0205406963669412
Energy: 1.0887848444094992
Energy: 1.0804875792293769
Energy: 0.9858886885745913
Energy: 0.991314763073938
Energy: 0.97016907102245
Energy: 0.9692968103061024
Energy: 0.9922129545443041
Energy: 0.9754834155895687
Energy: 0.9543787755618708
Energy: 1.0902636428269947
Energy: 0.926719783065181
Energy: 0.9244882667087847
Energy: 1.0915167285696452
Energy: 0.9720195176835524
Energy: 1.0427570788801788
Energy: 1.0166731434837775
Energy: 0.9384027763483643
Energy: 0.938906806714575
Energy: 0.9258979851215643
Energy: 0.9384714022822589
Energy: 0.9268883225704598
Energy: 1.025599164654285
Energy: 0.9260959781834396
Energy: 0.9261382732949445
Energy: 1.026293260382273
Energy: 0.932318585995914
Energy: 0.9246723533329363
Energy: 1.204653959157146
Energy: 0.9493732646496797
Energy: 0.94921164635713
Energy: 0.9244189766982259
Energy: 0.9575533382802855
Energy: 0.9583321270217768
Energy: 1.3114259704229019
Energy: 0.9321182280425785
Energy: 0.9280073497425085
Energy: 1.2682310393164344
Energy: 1.127578349708266
Energy: 0.9255216498862398
Energy: 1.2519784985400946
Energy: 1.035302386991881
Energy: 1.0884257354335756
Energy: 1.3194762655100518
Energy: 0.9690264834129868
Energy: 1.017906185127248
Energy: 1.2132662737274882
Energy: 0.9491972918956951
Energy: 0.9570143117922016
Energy: 1.3056962067031774
Energy: 1.010841264793521
Energy: 1.0100574340459711
Energy: 1.3395859501491072
Energy: 0.9496387007344697
Energy: 0.9238559240178037
Energy: 1.1753847460625326
Energy: 0.9425786262709835
Energy: 0.9682676467093025
Energy: 1.7337673261067577
Energy: 0.9610443181553349
Energy: 1.0296923574174957
Energy: 0.923437988208617
Energy: 0.961892754171627
Energy: 1.0299264323105435
Energy: 0.9541216783644855
Energy: 0.9606248721942372
Energy: 0.9854927174596888
Energy: 0.9268815565126206
Energy: 0.9563586384775636
Energy: 0.9805281368762215
Energy: 0.9536822440119551
Energy: 0.9649587996450953
Energy: 0.9595791539621799
Energy: 0.9578745939044827
Energy: 0.9940788411294954
Energy: 0.9587900784003479
Energy: 0.963982960569614
Energy: 0.9915654000885505
Energy: 0.9592340265710447
Energy: 0.9534504837076572
Energy: 0.9907740996284689
Energy: 0.9587658178238783
Energy: 0.9574263346075708
Energy: 0.9234262146646983
Energy: 0.9494040505410133
Energy: 0.9506491529260218
Energy: 0.9239848258438694
Energy: 0.9542941178266917
Energy: 1.254206405168474
Energy: 0.9495773508765766
Energy: 0.9311466271985634
Energy: 1.2554108038218164
Energy: 0.9248641451440682
Energy: 0.9557489055628002
Energy: 0.921414103107096
Energy: 1.0004155261951746
Energy: 0.9580823074215881
Energy: 1.008450396929053
Energy: 1.2971100951894814
Energy: 0.9292093431080858

minimum gb energy = 0.9191537969569442 eV
minimum distance =  2.30624529216803 Angstroms
sigma value = 81


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

Energy: 1.9995859757848673
Energy: 0.8354066916490294
Energy: 0.8354882032420241
Energy: 0.8358922651531414
Energy: 1.5192611025968845
Energy: 0.8357040415301573
Energy: 0.8499073254135637
Energy: 0.9416445339806311
Energy: 0.9408928984880106
Energy: 0.8534023190440923
Energy: 0.8525362017122854
Energy: 0.8864176357942976
Energy: 0.8614440591428094
Energy: 1.0001375915252304
Energy: 0.9982857545654792
Energy: 0.8597483953263942
Energy: 0.8460683163686048
Energy: 0.8622559628359525
Energy: 0.8503061440125698
Energy: 0.9284963683837102
Energy: 0.9364396189568852
Energy: 0.8501986499170686
Energy: 0.8454509696675638
Energy: 0.9381035336469251
Energy: 0.8483078810651584
Energy: 0.8850459861075333
Energy: 0.9368394046384333
Energy: 0.8475972983887211
Energy: 0.8858323431017973
Energy: 0.936955337380834
Energy: 0.8593492219322397
Energy: 0.9393263330658546
Energy: 0.9383938560587045
Energy: 0.9424297919388984
Energy: 0.8857073607314584
Energy: 0.9381842256806455
Energy: 0.8475887326094118
Energy: 0.9413315323844381
Energy: 0.8870256272710165
Energy: 0.8529971170861957
Energy: 0.9413077796784274
Energy: 0.8880345085556688
Energy: 1.0718717102449487
Energy: 0.988497435148709
Energy: 0.988398822745293
Energy: 0.8467521745469839
Energy: 0.9881552018285606
Energy: 0.8887302088781734
Energy: 0.8505341502444879
Energy: 0.9406179345786052
Energy: 0.8855907698318899
Energy: 0.8539972850141073
Energy: 0.8535099839719263
Energy: 0.8863849244260488
Energy: 0.8474987793563306
Energy: 0.8563483011150554
Energy: 0.8465225031220137
Energy: 0.8469373018385533
Energy: 0.8468862247544839
Energy: 0.8472119261980383
Energy: 0.8523551521559231
Energy: 0.8448054562304532
Energy: 0.8448490636826593
Energy: 0.8528541146462648
Energy: 0.8838779729456707
Energy: 0.9403133899961456
Energy: 0.8446936157084373
Energy: 0.8472175067946578
Energy: 0.8478926634527886
Energy: 0.8449897301757376
Energy: 0.8527554258096366
Energy: 0.9375438597457835
Energy: 0.8450384745335252
Energy: 0.8476335967328908
Energy: 0.9368678645043569
Energy: 0.8452839118714028
Energy: 0.861615843802089
Energy: 0.9371871908827778
Energy: 0.8544783348837737
Energy: 0.8475261290965097
Energy: 0.8469149123412983
Energy: 0.8526684606662347
Energy: 0.849833773408748
Energy: 0.932038775908387
Energy: 0.8531456395228658
Energy: 0.8494018609581515
Energy: 0.9359428851748206
Energy: 0.9464633740689142
Energy: 0.9462396528036741
Energy: 0.9406605695666287
Energy: 0.8525950893071171
Energy: 0.9330652430870762
Energy: 0.936191315719756
Energy: 0.853905452616519
Energy: 0.8541813749418294
Energy: 0.8850554389175881
Energy: 0.9881578427585599
Energy: 0.8477405874892733
Energy: 0.8814227974843466
Energy: 1.0139958290409918
Energy: 0.8462878917110215
Energy: 0.8935810158865626
Energy: 1.0831030836563673
Energy: 0.8576703228111803
Energy: 0.8881793515572295
Energy: 1.0717858045753588
Energy: 0.854220290493732
Energy: 0.8911443731287417
Energy: 0.8481288895970973
Energy: 0.9444836625602391
Energy: 0.8451134021427517
Energy: 0.9292315267677244
Energy: 0.8576028022168127
Energy: 0.845248291614748
Energy: 0.8490263572685974
Energy: 0.9411958476049823
Energy: 0.8451768910732017
Energy: 0.9303682723259022
Energy: 0.8527394594275797
Energy: 0.8453155696611698
Energy: 0.84801016155439
Energy: 0.937596005006366
Energy: 0.8887183428196296
Energy: 0.8528401770407693
Energy: 0.8540616007878621
Energy: 0.940443430892112
Energy: 0.858678167035468
Energy: 0.8451042862413237
Energy: 0.8449961729739356
Energy: 0.861236143706724
Energy: 0.9996335548807145
Energy: 0.9991816061377673
Energy: 0.8464855035389631
Energy: 1.0106471926099485
Energy: 0.9339279807596897
Energy: 0.8480581494107051
Energy: 0.8530706839658689
Energy: 0.8471903142606497
Energy: 0.85715667594059
Energy: 0.8879042776517417
Energy: 0.8886507477387918
Energy: 0.8572140817220093
Energy: 0.9467577656693761
Energy: 0.9416763329273857
Energy: 0.8471943635810796
Energy: 0.88606349093793
Energy: 0.9396509482173511
Energy: 0.8523625432521484
Energy: 0.8535069796425949
Energy: 0.9307091544432701
Energy: 1.2597395904830646
Energy: 1.1041628743054424
Energy: 1.1048368323563045
Energy: 0.8845738064692955
Energy: 1.0728866095090408
Energy: 0.9820004489359605
Energy: 1.0693828344187846
Energy: 1.1039235881526053
Energy: 0.9376936401920692
Energy: 0.8854351488810651
Energy: 1.0733538729653296
Energy: 0.8856593618991899
Energy: 0.8503649255476324
Energy: 0.8450746391573746
Energy: 0.8865024302977719
Energy: 0.8611337740754075
Energy: 0.9350136152488119
Energy: 0.9402014323423536
Energy: 0.870508328901666
Energy: 0.8577501067577326
Energy: 0.8665965753647805
Energy: 0.8704942529848585
Energy: 0.8668214580514892
Energy: 0.8509210508577099
Energy: 0.8527545292673957
Energy: 0.9394481544155
Energy: 0.8876893480241409
Energy: 0.8542717455007055
Energy: 0.8534987501069748
Energy: 0.8857810851409907
Energy: 0.8453091403934833
Energy: 0.8497928341096991
Energy: 0.9421962546893972
Energy: 0.8460694806362417
Energy: 0.9318252953338053
Energy: 0.9367412670973089
Energy: 0.8543809006189493
Energy: 0.8467882383468778
Energy: 0.8469330866708524
Energy: 0.8527314025881974
Energy: 0.8494797377395794
Energy: 0.9379383076220618
Energy: 0.852934550823159
Energy: 0.9380106709374496
Energy: 0.9368632597511323
Energy: 0.9028729368487303
Energy: 0.8475439220480996
Energy: 0.9368429332661768
Energy: 0.8528351187929532
Energy: 0.8472932830690377
Energy: 0.9384855866067511
Energy: 0.853444149878681
Energy: 0.8567577952729003
Energy: 0.9385325428098793
Energy: 1.071216901438443
Energy: 0.938508798977934
Energy: 0.8854374905907715
Energy: 1.0718732644355513
Energy: 0.8868668719620602
Energy: 0.8856553988609093
Energy: 1.0628750486162328
Energy: 0.8468951376144181
Energy: 0.847605189587724
Energy: 1.0631934056367542
Energy: 0.8842852432846053
Energy: 0.9821701726356371
Energy: 0.8480680945548494
Energy: 0.944990663808378
Energy: 0.9352998535098682
Energy: 0.8532994541492327
Energy: 0.8538718036306432
Energy: 0.8853894190921218
Energy: 1.134716591874804
Energy: 0.9308498392573058
Energy: 0.8373979914700582
Energy: 0.8383553081251166
Energy: 0.9322037475517245
Energy: 0.8376949010674951

minimum gb energy = 0.8354066916490294 eV
minimum distance =  2.32380326257207 Angstroms
sigma value = 43


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

Energy: 2.125842607732595
Energy: 1.2109427110688509
Energy: 1.086533324065622
Energy: 0.9766344663540294
Energy: 1.2234202486191257
Energy: 0.9762067876400548
Energy: 0.9558986969650569
Energy: 0.9311622082439034
Energy: 0.9915498090747917
Energy: 0.9426898904678739
Energy: 0.9911740220281704
Energy: 1.0045550334155386
Energy: 0.9139537295364752
Energy: 0.9541050799386559
Energy: 0.9550804794916403
Energy: 1.1296348274188537
Energy: 0.8983642780372232
Energy: 0.9418348084655646
Energy: 0.9420652862716549
Energy: 0.9347083366338923
Energy: 0.9420738042367017
Energy: 0.9421829396621904
Energy: 1.0154067699342497
Energy: 0.9422839116021051
Energy: 0.9217362873050864
Energy: 0.9458768167533593
Energy: 0.9484387459090209
Energy: 0.9217960936611683
Energy: 0.9744383298829307
Energy: 0.9830091053544522
Energy: 0.9225134770073421
Energy: 0.9857907165887789
Energy: 0.9799234129827689
Energy: 1.0197500966958615
Energy: 0.9127359445194108
Energy: 0.9932309225592961
Energy: 0.981012250939044
Energy: 0.9215573937443882
Energy: 0.9216251254740374
Energy: 0.9816866779301562
Energy: 0.9217461028144207
Energy: 0.9217293376013985
Energy: 1.1481702278234116
Energy: 0.9422563226429952
Energy: 0.9517053571324098
Energy: 0.9514900341465741
Energy: 0.9418279358801083
Energy: 1.2551862431840834
Energy: 1.0459426713788835
Energy: 0.9413827071737921
Energy: 0.9413203811047274
Energy: 1.0470895116619103
Energy: 0.9428364739862105
Energy: 0.922047211603685
Energy: 1.2743012686488517
Energy: 0.9895965525887749
Energy: 0.9893049014471118
Energy: 1.1850685405572916
Energy: 0.9897669304794293
Energy: 0.989759234485691
Energy: 1.1063112085744726
Energy: 1.042800356565628
Energy: 1.0487194999815337
Energy: 0.974701138967254
Energy: 1.0534858932193236
Energy: 0.9988395760025072
Energy: 1.1693904130612982
Energy: 0.9408139180568176
Energy: 0.9409687205394973
Energy: 0.907474041513548
Energy: 0.9957258964226409
Energy: 0.9408701041107272
Energy: 1.1531882825840898
Energy: 0.9417727346536658
Energy: 0.925687387315211
Energy: 0.9078246671106546
Energy: 0.9913142641066808
Energy: 0.9258646054622062
Energy: 0.9286488057243951
Energy: 0.9255882630092468
Energy: 0.9736612092370504
Energy: 0.9754964003479161
Energy: 0.9253705957292458
Energy: 1.0339091675911933
Energy: 0.9193666096271158
Energy: 0.9271126395986015
Energy: 0.9555819130464643
Energy: 0.9536401697527943
Energy: 0.9893122558744951
Energy: 0.9212629094504593
Energy: 0.9157510549167996
Energy: 0.9469936522147763
Energy: 0.9149273759688129
Energy: 0.9147905504613267
Energy: 0.9747633630276663
Energy: 0.9144721939023819
Energy: 0.9077421849561916
Energy: 0.9578026589907903
Energy: 0.9869655587424584
Energy: 0.9079480126665161
Energy: 0.9268844406067901
Energy: 0.9866659593667853
Energy: 0.9074173632481402
Energy: 1.0396388283780282
Energy: 0.9576555054733656
Energy: 1.0208491841975873
Energy: 0.9322598977784914
Energy: 0.9579336950006192
Energy: 1.0440411828842877
Energy: 0.9505684400320319
Energy: 0.9508128203791324
Energy: 1.0423876987728125
Energy: 1.0071759801479618
Energy: 0.9416562610166261
Energy: 1.0379115451939878
Energy: 0.9511955037108896
Energy: 0.9512339193312518
Energy: 1.0532958346645873
Energy: 1.0708420951534212
Energy: 0.9419476491285667
Energy: 0.950601767590956
Energy: 1.0279395137668856
Energy: 1.0201422096831922
Energy: 1.1389271030917099
Energy: 1.0425277678850045
Energy: 0.9575073362188592
Energy: 1.1263530714522139
Energy: 0.9270523708345579
Energy: 1.1155665609319168
Energy: 1.1263510945607096
Energy: 0.9538237971222367
Energy: 1.1130566269909852
Energy: 1.160282094979205
Energy: 0.9484827842996785
Energy: 0.9288894019504677
Energy: 1.048987962124036
Energy: 1.0058149013146682
Energy: 1.0000742687998396
Energy: 1.1423030736958235
Energy: 1.0460018230864727
Energy: 0.9512470052969035
Energy: 1.0401467717534203
Energy: 0.9482257542169822
Energy: 0.9516984051524842
Energy: 1.1492077870366677
Energy: 0.9347570995991594
Energy: 0.9346020704945397
Energy: 1.089359754784312
Energy: 0.9347850571840843
Energy: 0.9654787275067457
Energy: 1.0352616256968479
Energy: 0.9213775568834837
Energy: 0.9273903717349335
Energy: 0.9743292322581191
Energy: 0.9157544352367119
Energy: 0.9272123155740053
Energy: 1.035291316465011
Energy: 0.921358575091356
Energy: 0.9205752220070054
Energy: 0.9411033332222799
Energy: 0.9268943093068795
Energy: 0.9200331032118606
Energy: 1.005713341734498
Energy: 0.9263713605260953
Energy: 0.9135580355923448
Energy: 0.9426102145768375
Energy: 0.971160253977474
Energy: 0.913820929731507
Energy: 1.0632626665208709
Energy: 0.942037526560611
Energy: 0.9418585830011795
Energy: 1.0726936133697633
Energy: 0.9489802745752561
Energy: 1.1980615024904606
Energy: 1.1959253378801749
Energy: 1.0046284114959398
Energy: 1.0597546344433024
Energy: 0.9427708713067565
Energy: 0.9912253150286103
Energy: 0.9220235407578925
Energy: 0.9152654644755535
Energy: 1.223930433556192
Energy: 1.1492015813191123
Energy: 0.9268516489385221
Energy: 1.2766921005224703
Energy: 1.0521893423924766

minimum gb energy = 0.8983642780372232 eV
minimum distance =  2.24042171450798 Angstroms
sigma value = 57


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

Energy: 1.5772000018769656
Energy: 0.9746419189836216
Energy: 0.9726204011686014
Energy: 1.1223172522872085
Energy: 1.6020203729489744
Energy: 0.9723441308643224
Energy: 0.8974687642701907
Energy: 0.9383208791831329
Energy: 1.0042619692993866
Energy: 0.9511946558849884
Energy: 0.951549105980786
Energy: 1.0231739092992564
Energy: 1.1796007224578842
Energy: 0.8579859785077711
Energy: 0.874376605825144
Energy: 1.1391279374808694
Energy: 0.8607147292178313
Energy: 0.8756985919756484
Energy: 0.9346342768519168
Energy: 0.8595197983970398
Energy: 0.8576428254252629
Energy: 0.9358649147786167
Energy: 0.9645833889134612
Energy: 0.9334308961442934
Energy: 0.9331978274059173
Energy: 0.9632952295300536
Energy: 0.9642867013103741
Energy: 0.9327538569507592
Energy: 0.9627047381076398
Energy: 0.9469062254140573
Energy: 0.9090594181829046
Energy: 0.9175731375069329
Energy: 0.963397094075775
Energy: 0.9628313956377587
Energy: 0.9220651862089546
Energy: 0.9631522086116273
Energy: 1.0900269734947512
Energy: 0.9250431551358039
Energy: 0.9246043406177682
Energy: 1.1011530692696563
Energy: 1.0070309690984376
Energy: 0.9246340896394308
Energy: 0.9325505399024053
Energy: 0.9200771322345136
Energy: 0.9203198057672399
Energy: 0.8979911577100309
Energy: 0.9162941410446568
Energy: 1.0916830166137381
Energy: 0.9495868345741442
Energy: 1.0131242077411604
Energy: 1.077052093650645
Energy: 0.9504910840595464
Energy: 1.008089472345886
Energy: 0.9388435278276202
Energy: 1.1594300834589093
Energy: 0.9947183453550271
Energy: 0.9947289140873266
Energy: 1.159749305800751
Energy: 0.9955074398969854
Energy: 0.9982769884995133
Energy: 1.0110287286292492
Energy: 0.9232913014639514
Energy: 0.9244741180371736
Energy: 0.9494389423295645
Energy: 0.9388298559545414
Energy: 0.9241765796311445
Energy: 0.8891330882358653
Energy: 1.008180217898652
Energy: 1.00602592360757
Energy: 0.9073946289800447
Energy: 1.0179400255893871
Energy: 1.1202135420234884
Energy: 0.8913119945508244
Energy: 0.9245680729014288
Energy: 0.9509074816755191
Energy: 0.9505472267305506
Energy: 0.937679995495036
Energy: 1.0417110752035548
Energy: 1.0103835300325936
Energy: 0.9371899981127167
Energy: 0.9735626867489173
Energy: 0.9508865293419755
Energy: 0.94460596237264
Energy: 0.9246200576252972
Energy: 0.9334876140974141
Energy: 0.8579403257230804
Energy: 0.981829232910662
Energy: 0.9338937326557369
Energy: 0.8580047902169676
Energy: 0.9208751944889202
Energy: 0.9333724004354155
Energy: 0.9222087481749119
Energy: 0.9312895804300282
Energy: 0.934535115534468
Energy: 0.9571634056932434
Energy: 0.9749732224509796
Energy: 0.9355536237682253
Energy: 0.9635425451419293
Energy: 0.9636832328051951
Energy: 0.9353123690965807
Energy: 0.9635238439875198
Energy: 0.8998995556286683
Energy: 0.9338966923565898
Energy: 0.9220283041938929
Energy: 0.9317890158356265
Energy: 0.9334300022415308
Energy: 0.9226361623003251
Energy: 0.9640435052220959
Energy: 0.9444719399267402
Energy: 1.006351285849668
Energy: 1.00604886956645
Energy: 0.9459580260730732
Energy: 1.0064303706819167
Energy: 0.9936560140867489
Energy: 0.944264666941242
Energy: 1.005889379067097
Energy: 0.9955512102868465
Energy: 0.9456693687940559
Energy: 1.198265434254278
Energy: 0.9936769472471063
Energy: 0.9527470810741013
Energy: 0.9385905093263847
Energy: 0.9372006436411472
Energy: 0.9538990081457178
Energy: 1.0087029011964024
Energy: 0.924928975080278
Energy: 1.167938715545629
Energy: 0.9984717860395032
Energy: 1.0309682041811477
Energy: 1.168155730808968
Energy: 0.9949067475672366
Energy: 0.935446401180197
Energy: 1.0105842966263203
Energy: 1.0079962767094865
Energy: 1.078324000121763
Energy: 0.9507392890428648
Energy: 1.0162382223077024
Energy: 1.004178529894469
Energy: 0.8917509876446407
Energy: 1.196816763737365
Energy: 0.9505170069668032
Energy: 0.9505656622110118
Energy: 1.2151983805363076
Energy: 1.0420693557871832

minimum gb energy = 0.8576428254252629 eV
minimum distance =  2.29321437321514 Angstroms
sigma value = 17


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

Energy: 1.896213599581466
Energy: 1.1993403094775186
Energy: 1.1940282923548906
Energy: 0.957850925705668
Energy: 1.6044505715110824
Energy: 0.9579080176898717
Energy: 0.8973828314675313
Energy: 1.0430331717706585
Energy: 1.0430035385065548
Energy: 1.0267341151429412
Energy: 1.0453381065800507
Energy: 0.962920589420533
Energy: 1.1480745139439348
Energy: 0.8981128172678375
Energy: 0.8976578313865772
Energy: 1.0227157758610042
Energy: 0.8974254194963938
Energy: 0.8980393399576695
Energy: 0.9680568289902659
Energy: 0.8977617174823297
Energy: 0.8970667397952912
Energy: 0.9683219458343085
Energy: 0.83448423537556
Energy: 0.9688922332097132
Energy: 0.8825524998858513
Energy: 0.9409957273590387
Energy: 0.9375544061258769
Energy: 0.8832165207542357
Energy: 0.940581760900697
Energy: 0.9010817176379641
Energy: 0.8972243265159344
Energy: 0.8670012026323387
Energy: 0.8891582860496136
Energy: 0.9124499300758218
Energy: 0.8663098198317126
Energy: 0.9115595222744286
Energy: 0.8828477666626409
Energy: 0.8665157678240099
Energy: 0.8666255704857913
Energy: 0.9630306192792601
Energy: 0.8678804889188175
Energy: 0.8942060400087055
Energy: 0.8666761135195581
Energy: 0.9137416509174475
Energy: 1.0077793224980796
Energy: 0.9175238309824588
Energy: 0.9089665306145935
Energy: 1.0809566676006406
Energy: 0.8700582231492018
Energy: 0.9107495932876488
Energy: 0.9169064858652586
Energy: 0.867561044453325
Energy: 0.9294359234402695
Energy: 0.8667806234509461
Energy: 0.8663900082592211
Energy: 0.9074493603248468
Energy: 0.907941763899
Energy: 0.8664843897784404
Energy: 0.9075393484797992
Energy: 0.9070951505771048
Energy: 1.0936653119103688
Energy: 0.9203399076507631
Energy: 0.8888913900947448
Energy: 0.9409208377887389
Energy: 1.0401079470047014
Energy: 0.9081073316853657
Energy: 1.0392779260685694
Energy: 1.021804816460018
Energy: 1.0218382991379475
Energy: 1.0208518946921357
Energy: 1.023060816397713
Energy: 1.0223397685065458
Energy: 1.0200536409999146
Energy: 1.0079544469426605
Energy: 1.0082983874113147
Energy: 0.9148258413363131
Energy: 1.163139363372373
Energy: 1.008493496972093
Energy: 0.8667708447619992
Energy: 1.0427213462498903
Energy: 1.0437589594598138
Energy: 0.9014687064148534
Energy: 1.0434281510439452
Energy: 0.9611491980316065
Energy: 1.4503074932299393
Energy: 1.0217988487214165
Energy: 1.0760544571701836
Energy: 1.3822428776028701
Energy: 1.0045302855681786
Energy: 1.075994730955459
Energy: 1.1740275371845545
Energy: 1.0276268426196677
Energy: 1.0045128378465782
Energy: 1.0438476722696681
Energy: 1.0387423963002813
Energy: 1.0432695129477205
Energy: 1.0068617398146669
Energy: 1.02233218163312
Energy: 1.1448297683490565
Energy: 1.0054597258034446
Energy: 1.0435804999622098
Energy: 1.1448052865351863

minimum gb energy = 0.83448423537556 eV
minimum distance =  2.29501378677338 Angstroms
sigma value = 17


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

Energy: 2.047974932954779
Energy: 1.1483858810841365
Energy: 0.9323370955934099
Energy: 0.9318951857828695
Energy: 1.435162292374698
Energy: 0.9065973506225854
Energy: 0.8876175793259722
Energy: 1.0215630944441387
Energy: 1.058262670261122
Energy: 1.0054619995300629
Energy: 1.0257041620433758
Energy: 0.9237137685110273
Energy: 1.255147351929945
Energy: 0.86026042747317
Energy: 0.8877572108743903
Energy: 0.9980708641695298
Energy: 0.860389577661563
Energy: 0.8878019755806694
Energy: 0.9997140324038328
Energy: 0.872386559691762
Energy: 0.8875701457564138
Energy: 1.0001076687755817
Energy: 0.799299597485736
Energy: 0.887579395367947
Energy: 0.8568212950984265
Energy: 0.8664873896401974
Energy: 0.8684257292945222
Energy: 0.8576591809931279
Energy: 0.8655838193688212
Energy: 0.8688704416575379
Energy: 0.7644411617471505
Energy: 0.8421842510619775
Energy: 0.835477861678314
Energy: 0.8328595210716252
Energy: 0.8418747639414256
Energy: 0.8364422403348422
Energy: 0.8828981450268002
Energy: 0.8416863728239778
Energy: 0.8412674205905118
Energy: 0.773968494135897
Energy: 0.8439337958662511
Energy: 0.8344559708530527
Energy: 1.1352682662074833
Energy: 0.8110195273201104
Energy: 0.8970609697452685
Energy: 0.858227664947366
Energy: 0.8109250927922592
Energy: 0.9004287310765864
Energy: 0.7801898050017657
Energy: 0.806191386133197
Energy: 0.7786158867670889
Energy: 0.7816698274036359
Energy: 0.7784010591200775
Energy: 0.7790210076551285
Energy: 0.7791599965706902
Energy: 0.8157078674464833
Energy: 0.813057320553054
Energy: 0.7794405951535887
Energy: 0.8155321583441106
Energy: 0.8128560195847965
Energy: 0.9622176953174411
Energy: 0.7782202930606145
Energy: 0.8141920484350755
Energy: 0.8153582631302376
Energy: 0.7791632011127376
Energy: 0.8136950037608268
Energy: 0.7818908362381876
Energy: 0.7795060343646857
Energy: 0.7793695683218272
Energy: 0.7833525179729272
Energy: 0.7795576955983102
Energy: 0.8110747606758344
Energy: 0.8411153139699568
Energy: 0.8820465701585726
Energy: 0.9083020206229334
Energy: 0.9377011154591934
Energy: 0.8824297677925396
Energy: 0.8239093415205312
Energy: 0.8423507182394866
Energy: 0.8556947960445014
Energy: 0.8395587173834458
Energy: 0.8421765016828613
Energy: 0.8210987018449728
Energy: 0.8413681033131148
Energy: 0.8421261491522904
Energy: 0.8397268362042565
Energy: 0.8433876323090703
Energy: 0.8421861181336371
Energy: 0.8287847374333939
Energy: 0.8661379982390902
Energy: 1.1755873407432833
Energy: 1.0463675132488308
Energy: 0.86979248154177
Energy: 0.8655849749576879
Energy: 0.9971532962148256
Energy: 0.868611175443157
Energy: 0.7795825610817405
Energy: 0.9992333519746391
Energy: 0.9988443561023992
Energy: 0.7813594577244057
Energy: 0.9993844111297259
Energy: 0.8401152972516946
Energy: 1.0137385391217733
Energy: 0.9989344734137708
Energy: 0.9990407998160794
Energy: 0.8610919276070271
Energy: 0.9994032803195609
Energy: 0.866989864109556
Energy: 1.1464155362170045
Energy: 0.9967263893189477
Energy: 0.9250233505544955
Energy: 1.0222427170735027
Energy: 0.8924766765879741
Energy: 1.0421545569163377
Energy: 1.4517734580273425
Energy: 0.8797127740478989
Energy: 0.8783614483512556
Energy: 1.387122308181243
Energy: 0.8786824352946649
Energy: 1.0031594601424187
Energy: 1.249853280171575
Energy: 1.021814739610706
Energy: 0.9226088251950942
Energy: 1.023187359959747
Energy: 1.0215971098001464
Energy: 0.9975350007668747
Energy: 0.7931122579353997
Energy: 1.0075383474174813
Energy: 1.1061447337532846
Energy: 0.8534380367255643
Energy: 1.0055332427506514
Energy: 0.8876299716017809
Energy: 0.9678881058444262
Energy: 1.0004755730526713
Energy: 0.9997276417248615
Energy: 0.9685747933987353
Energy: 1.0047574211815966
Energy: 1.1067464558242017
Energy: 1.2571832183208236
Energy: 0.8866801886382917
Energy: 0.998368917554164
Energy: 1.0003391507765407
Energy: 0.9692008897636802
Energy: 0.9987167622456996
Energy: 0.998890818871311
Energy: 0.8594914135088406
Energy: 0.8877109901340746
Energy: 0.9989392577941159
Energy: 0.8614491298707251
Energy: 0.8878942962818379
Energy: 0.8599292834926537
Energy: 0.869931010953987
Energy: 0.8721143865198464
Energy: 0.8600328384364965
Energy: 0.8695074270320098
Energy: 0.8690333460880937
Energy: 0.8697580113277129
Energy: 0.8683574037852824
Energy: 0.8677413106260289
Energy: 0.8330067358362073
Energy: 0.9998866087764774
Energy: 0.833692445017952
Energy: 0.8432677788534391
Energy: 0.8416125753179864
Energy: 0.8417285033009432
Energy: 0.8727473701884362
Energy: 0.8432141847079578
Energy: 0.8413295966111493
Energy: 1.1429368555702926
Energy: 0.8308166488784751
Energy: 0.8300416835569779
Energy: 0.8633620816706943
Energy: 0.8405484383577988
Energy: 0.8293708663205391
Energy: 0.779744263948164
Energy: 0.8090755119050247
Energy: 0.8232473643969398
Energy: 0.77979351921994
Energy: 0.8090433088814581
Energy: 0.811831701006097
Energy: 0.7796119557709515
Energy: 0.8137305520489321
Energy: 0.8224498094324434
Energy: 0.7797460828189381
Energy: 0.8156435047942724
Energy: 0.8153341660730368
Energy: 0.9628471124789565
Energy: 0.8334240839698364
Energy: 0.8309871107972118
Energy: 0.8946420244594879
Energy: 0.8109432030114425
Energy: 0.8139120376440601
Energy: 0.8641136452512581
Energy: 0.7791894157877552
Energy: 0.7795738042987069
Energy: 0.8613072031084436
Energy: 0.7803004109463423
Energy: 0.7795107366174473
Energy: 0.8406475939473058
Energy: 0.8330340803274376
Energy: 0.8330281145438189
Energy: 0.8940095455290877
Energy: 0.7783301129300385
Energy: 0.8310184018662566
Energy: 0.8411122991256776
Energy: 0.8288510344613758
Energy: 0.8289050836762386
Energy: 0.8410851643627957
Energy: 0.8372408571264689
Energy: 0.8297774940349344
Energy: 0.841708219213376
Energy: 0.8314109032300927
Energy: 0.8665267724741471
Energy: 0.8418255226147572
Energy: 0.8271814267573838
Energy: 0.8410611564391188
Energy: 1.2178822672023584
Energy: 0.8466726695252584
Energy: 0.846758877572156
Energy: 0.8835386306090637
Energy: 0.8617813636993705
Energy: 0.8658458553405836
Energy: 0.7826255993347666
Energy: 0.9990360315333462
Energy: 0.9985674427080504
Energy: 0.8256322974289462
Energy: 1.001313443435428
Energy: 1.0388875948406404
Energy: 0.7797723764786427
Energy: 1.025365997446883
Energy: 0.8682304211714252
Energy: 0.8513582111044242
Energy: 1.1112123826144924
Energy: 0.8671928887131306
Energy: 1.0120085395376837
Energy: 0.9985093375043708
Energy: 0.9972570644700104
Energy: 0.8590638188030072
Energy: 1.027024095079916
Energy: 0.9213685647431729
Energy: 1.159500122336129
Energy: 0.8661229098942521
Energy: 0.9984961514140915
Energy: 0.9988219151603247
Energy: 0.8625264470077496
Energy: 0.9976564938209753
Energy: 1.2661558297469133
Energy: 0.9209406958992434
Energy: 0.9979723640349819
Energy: 1.02483807914989
Energy: 1.0000231819193057
Energy: 0.998200560559552
Energy: 0.9672016813746683
Energy: 1.000239998018088
Energy: 0.9989982123715971
Energy: 0.9680885028293188
Energy: 1.0264169176793385
Energy: 1.1066353089832417

minimum gb energy = 0.7644411617471505 eV
minimum distance =  2.28362645431779 Angstroms
sigma value = 57


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

Energy: 1.8802208145090624
Energy: 1.0861138881810704
Energy: 0.8780854199551537
Energy: 0.8512425839566077
Energy: 1.348488278655325
Energy: 0.8656359777232944
Energy: 1.110553434106964
Energy: 1.0157143012527028
Energy: 0.9799957421499114
Energy: 0.9663748828131471
Energy: 0.9835947758483384
Energy: 0.820538138435113
Energy: 1.172089213898786
Energy: 0.8013415760850575
Energy: 0.8017460937730766
Energy: 0.9682300308464268
Energy: 0.803216663451386
Energy: 0.8628932043371298
Energy: 0.9604204708163757
Energy: 0.8006893222873395
Energy: 0.9038501290360506
Energy: 0.961019842796713
Energy: 0.8811610639061402
Energy: 0.8627034015920756
Energy: 0.8104670536842229
Energy: 0.8318784029984753
Energy: 0.8343326770404408
Energy: 0.8081480291172546
Energy: 0.8290156577441492
Energy: 0.8233554437078014
Energy: 0.7580301788736248
Energy: 0.8169124979857234
Energy: 0.7682583844105457
Energy: 0.7590915255748105
Energy: 0.8168171906331472
Energy: 0.7680331045311555
Energy: 1.1206422748515668
Energy: 0.8172092409510531
Energy: 0.8167122643054819
Energy: 0.973500197731424
Energy: 0.8229408663908911
Energy: 0.7856373224183902
Energy: 1.0559235343263615
Energy: 0.7635924278065078
Energy: 0.7425961057033332
Energy: 0.828201862683111
Energy: 0.7448388998928802
Energy: 0.7642991687021053
Energy: 0.7473699027567656
Energy: 0.7601686244216709
Energy: 0.743768447651363
Energy: 0.7491627913270266
Energy: 0.7917736725279565
Energy: 0.7440983430769835
Energy: 0.7442712399247394
Energy: 0.7601715424039484
Energy: 0.7595532990391334
Energy: 0.744680531774435
Energy: 0.7617975159685078
Energy: 0.7585281498880533
Energy: 0.7174216202469248
Energy: 0.7117701521589935
Energy: 0.7582144089466695
Energy: 0.7357062939573513
Energy: 0.7114583371862484
Energy: 0.7396798013955578
Energy: 0.749871637490903
Energy: 0.7123086454489269
Energy: 0.7114520739556287
Energy: 0.74838243703712
Energy: 0.7173974574691396
Energy: 0.7400417862753531
Energy: 0.887095342715108
Energy: 0.8589618902449901
Energy: 0.8547534283577963
Energy: 1.0288888786991324
Energy: 0.8000249313075928
Energy: 0.8560205229260023
Energy: 0.7120507355839034
Energy: 0.7409417408154654
Energy: 0.7110662973623793
Energy: 0.714525164375645
Energy: 0.7598496992267658
Energy: 0.7114120172010479
Energy: 0.7121275610138746
Energy: 0.737858372713048
Energy: 0.738424091331814
Energy: 0.7120357609079011
Energy: 0.8074482543646802
Energy: 0.7365125628763709
Energy: 1.0401790621863902
Energy: 0.7439780050001453
Energy: 0.7672457665791468
Energy: 0.7644580045352559
Energy: 0.7441436077845142
Energy: 0.769051799466676
Energy: 0.7645343992840229
Energy: 0.7440706245181044
Energy: 0.7440040237177715
Energy: 0.7991769039415999
Energy: 0.7533676058164425
Energy: 0.764157784970941
Energy: 0.8169069697032416
Energy: 0.7728245102002862
Energy: 0.7802124354708284
Energy: 0.7175215298500027
Energy: 0.8269926497567412
Energy: 0.7832776911073178
Energy: 0.8163914292870924
Energy: 0.7873143151199888
Energy: 0.8161521077029352
Energy: 0.8187453675079249
Energy: 0.8419242921377043
Energy: 0.8167195921618464
Energy: 0.9609645527596281
Energy: 0.7650027371958303
Energy: 0.7702387860078614
Energy: 0.9623665689998702
Energy: 0.7715604191249479
Energy: 0.8239217884830415
Energy: 1.1054625692726892
Energy: 0.9838293321361037
Energy: 0.8247108329703617
Energy: 0.8297584671636353
Energy: 0.8321116780790528
Energy: 0.8249748101166883
Energy: 0.8154959739911917
Energy: 0.9595042205944889
Energy: 0.8158859057722584
Energy: 0.8964296204711466
Energy: 0.9719199131449425
Energy: 0.8215888325798317
Energy: 0.8326433250856901
Energy: 0.9674381702063017
Energy: 0.9584848321222643
Energy: 0.8340254528120753
Energy: 0.9642630835637496
Energy: 0.9413746738931754
Energy: 1.123285816805004
Energy: 0.8510325237320465
Energy: 0.875311814355328
Energy: 0.9584964741005082
Energy: 0.8465298897488743
Energy: 0.8367728736251162
Energy: 1.1896066275781252
Energy: 0.8129825781500503
Energy: 0.8297421241463618
Energy: 0.9584220024415686
Energy: 0.8155883188216134
Energy: 0.9584597568278399
Energy: 1.169734597577107
Energy: 0.9613504324432443
Energy: 0.9582382734822448
Energy: 0.9621983513446922
Energy: 0.9874442584910659
Energy: 1.0041582320579847
Energy: 0.8146304220138104
Energy: 0.9898056994576582
Energy: 0.862730925771467
Energy: 0.7926730158250633
Energy: 1.0783618001614992
Energy: 0.8633513849316723

minimum gb energy = 0.7110662973623793 eV
minimum distance =  2.28797632226912 Angstroms
sigma value = 43


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

Energy: 0.8496478501171529
Energy: 0.961698239764932
Energy: 0.7600966083047208
Energy: 0.7981564529167542
Energy: 1.2215096974813877
Energy: 0.7537336562456314
Energy: 0.9546191035752497
Energy: 0.7212101680646582
Energy: 0.7218148581800657
Energy: 0.8427758335067922
Energy: 0.7204468008155823
Energy: 0.6707691920621168
Energy: 1.00227771793819
Energy: 0.6509790807146109
Energy: 0.6693332674973765
Energy: 0.8429524896532624
Energy: 0.6509240118206365
Energy: 0.6826277078329634
Energy: 0.8433705288042767
Energy: 0.6700828564495884
Energy: 0.6831475125075344
Energy: 0.8424175691831131
Energy: 0.8733067151309744
Energy: 0.7701966216271837
Energy: 0.776100823029512
Energy: 0.7312139527856955
Energy: 0.7313520733939011
Energy: 0.8527359402299411
Energy: 0.734102162342399
Energy: 0.6948030043533812
Energy: 0.6415828127593701
Energy: 0.7310027272621046
Energy: 0.6667808503415745
Energy: 0.6359675164096177
Energy: 0.7309091249576168
Energy: 0.6389605921466297
Energy: 0.9613606267274435
Energy: 0.7312850192348339
Energy: 0.7312590298894018
Energy: 0.8017673829721237
Energy: 0.7315216738927538
Energy: 0.7063020147717984
Energy: 0.9065852344566301
Energy: 0.6290618141179884
Energy: 0.6371446819324428
Energy: 0.7213816565269523
Energy: 0.616715972791224
Energy: 0.6372462896223036
Energy: 0.6696482243459808
Energy: 0.6372248724571663
Energy: 0.6663422128445291
Energy: 0.671774757597039
Energy: 0.7375658721701449
Energy: 0.6666809949405024
Energy: 0.6413139239748454
Energy: 0.6176832212469293
Energy: 0.6281338130389441
Energy: 0.6667674773229632
Energy: 0.6829589078453349
Energy: 0.6288135189417723
Energy: 0.612653258670269
Energy: 0.6259675952057177
Energy: 0.625461793667404
Energy: 0.6058140896659959
Energy: 0.6259536159977982
Energy: 0.6166648241333225
Energy: 0.6663395110769136
Energy: 0.6261985440086236
Energy: 0.6258594909362972
Energy: 0.6668699624804385
Energy: 0.6265123278339302
Energy: 0.6255359013006357
Energy: 0.8751544918190995
Energy: 0.646452292254146
Energy: 0.5974932399316748
Energy: 0.8774329966483725
Energy: 0.5962258361717909
Energy: 0.606381809524008
Energy: 0.602339725217939
Energy: 0.7377254672927809
Energy: 0.6012873988845542
Energy: 0.6040894891026748
Energy: 0.7676157562482975
Energy: 0.6016301029796625
Energy: 0.6015469923726737
Energy: 0.6053339829855074
Energy: 0.6041675010091828
Energy: 0.6014217133229304
Energy: 0.6754455554147196
Energy: 0.5957629441013162
Energy: 0.7341505450442315
Energy: 0.5902941265796738
Energy: 0.5895130355498891
Energy: 0.5928827546707518
Energy: 0.5901408497891483
Energy: 0.6053371460115623
Energy: 0.6055588568525377
Energy: 0.5903844440502134
Energy: 0.5897005886563232
Energy: 0.8598560764903855
Energy: 0.5904162013309351
Energy: 0.6022497832870838
Energy: 0.5895815394012602
Energy: 0.6711402620758721
Energy: 0.6723569083269101
Energy: 0.5898273804841256
Energy: 0.6694361323300146
Energy: 0.5998576317862798
Energy: 0.5901917107810155
Energy: 0.7470983743908912
Energy: 0.5898842806100034
Energy: 0.5925831360952285
Energy: 0.8819233686195103
Energy: 0.5901953364933357
Energy: 0.744752072149911
Energy: 0.679580956950148
Energy: 0.6815942202626302
Energy: 0.7446140164075108
Energy: 0.6402344606632856
Energy: 0.6106812910639557
Energy: 0.6297963390348519
Energy: 0.6020701695815927
Energy: 0.6010731225071706
Energy: 0.857647375703307
Energy: 0.6020705027712174
Energy: 0.6092283723006269
Energy: 0.5925463748396244
Energy: 0.601709942663548
Energy: 0.6009942132993343
Energy: 0.6044145755619083
Energy: 0.6019177022002338
Energy: 0.611696697323381
Energy: 0.6258779075426076
Energy: 0.6117730507901986
Energy: 0.6123804504770997
Energy: 0.6258448833381102
Energy: 0.6670394707626597
Energy: 0.6109286777874
Energy: 0.6261328781650651
Energy: 0.7529558413263934
Energy: 0.6257216846630765
Energy: 0.6283484762367126
Energy: 0.6669391147232708
Energy: 0.6262031629289535
Energy: 0.8867267067683762
Energy: 0.6599255397324302
Energy: 0.6085489180525259
Energy: 0.889110650708897
Energy: 0.6124125224752216
Energy: 0.6090272557913826
Energy: 0.7350947045787067
Energy: 0.6665038309666843
Energy: 0.6664725973058112
Energy: 0.8171198303637017
Energy: 0.6670028655855365
Energy: 0.6254458294879551
Energy: 0.6262895330874034
Energy: 0.6664471092228675
Energy: 0.6664230889894814
Energy: 0.624584101958375
Energy: 0.666264582199026
Energy: 0.6273551435684872
Energy: 0.7082865495759088
Energy: 0.6786271845591876
Energy: 0.6493356675910613
Energy: 0.7314302203675547
Energy: 0.6804154265938871
Energy: 0.6321084513507675
Energy: 0.7343387537684576
Energy: 0.6530905674134996
Energy: 0.7313607618560066
Energy: 0.7360176459598103
Energy: 0.8286405522385313
Energy: 0.731365148597005
Energy: 0.9397040524477872
Energy: 0.6376314332498966
Energy: 0.6525600822845734
Energy: 0.8259461547734618
Energy: 0.6309132372025648
Energy: 0.6524695614712429
Energy: 0.9664416584502072
Energy: 0.721019558344057
Energy: 0.7214385003228191
Energy: 0.7215291795657192
Energy: 0.7201812230667394
Energy: 0.7598718416229492
Energy: 0.6686771417555579
Energy: 0.8427047070290062
Energy: 0.7214528587632429
Energy: 0.6487117855137052
Energy: 0.8428164830848324
Energy: 0.6766495681243345
Energy: 0.8737992322440564
Energy: 0.8430998700448046
Energy: 0.843651417352165
Energy: 0.7355975010568726
Energy: 0.8468677504196254
Energy: 0.8035729135186144
Energy: 0.9680597125362548
Energy: 0.6897125500780077
Energy: 0.7167349543173128
Energy: 0.8425684108985296
Energy: 0.8360668846066545
Energy: 0.842541338681231
Energy: 1.0026493529356242
Energy: 0.6795001133563451
Energy: 0.7230668128556339
Energy: 0.8429697598641867
Energy: 0.662072980236089
Energy: 0.735679371674474
Energy: 0.9546191032290723
Energy: 0.842347010944107
Energy: 0.8434742244042404
Energy: 0.8449165647960153
Energy: 0.8461894583498553
Energy: 0.7585984773552137

minimum gb energy = 0.5895130355498891 eV
minimum distance =  2.3191608397765 Angstroms
sigma value = 81


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

Energy: -0.004698601773615213
Energy: 0.8732060739258577
Energy: -0.003608113355619325
Energy: -0.001760398658663558
Energy: -0.003798662718749854
Energy: -0.004000691894341134
Energy: 0.050531977184468245
Energy: -0.0036608793534079003
Energy: -0.0036357936569743773
Energy: 0.04985919178844867
Energy: -0.0009881910797038282
Energy: -0.0035041870048962737
Energy: 0.04793790876872603
Energy: -0.003974691818258179
Energy: -0.003954350977142155
Energy: 0.04781011220876149
Energy: -0.004096465118645122
Energy: 0.048694974110028086
Energy: -0.002022077296965636
Energy: -0.003827275769352393
Energy: -0.004535206636223728
Energy: -0.001190811075529635
Energy: -0.0039228324456976466
Energy: 0.04989819892214103
Energy: 0.04907712884234279
Energy: 0.047866422234980936
Energy: 0.04783782066119513
Energy: 0.04991320181050736
Energy: 0.047836500629924505
Energy: 0.04794284054209998
Energy: -0.0029861005865035434
Energy: -0.0035150235981269815
Energy: -0.004442227972504204
Energy: -0.00440120413389138
Energy: -0.0031492830344894253
Energy: -0.003962432934169324
Energy: 0.04795937583782274
Energy: -0.0037126451700056975
Energy: -0.003518781321181933
Energy: 0.048260367761982524
Energy: -0.003620150139853076
Energy: -0.003380573082394245
Energy: 0.04805582260871259
Energy: -0.004054826805021657
Energy: -0.0036291094390670177
Energy: 0.04778709434040604
Energy: -0.004025263031113857
Energy: 0.04885784939138618
Energy: -0.0031170013018770376
Energy: -0.003616454358542209
Energy: 0.04938755340302381
Energy: -0.00044453605861630407
Energy: -0.0036684074306438854
Energy: 0.050560403108134463
Energy: -0.004257499376920191
Energy: 0.04786791414733191
Energy: 0.047639459259456944
Energy: -0.00447170788245832
Energy: 0.04788280093084389
Energy: 0.04757294819806084

minimum gb energy = -0.004698601773615213 eV
minimum distance =  2.46549260438979 Angstroms
sigma value = 3


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

Energy: 0.7257405027343357
Energy: 0.7310348273404069
Energy: 0.7111072392940198
Energy: 0.7146125330674947
Energy: 0.688736328655184
Energy: 0.7108214681629922
Energy: 0.7121991565505996
Energy: 0.7055632460274069
Energy: 0.6995310455424487
Energy: 0.7097429260110816
Energy: 0.7561940086822411
Energy: 0.7332718992329161
Energy: 0.7748992175401397
Energy: 0.702794433770437
Energy: 0.6982746272687035
Energy: 0.7526066351946715
Energy: 0.6555675920251853
Energy: 0.6839065609695767
Energy: 0.6866230808810657
Energy: 0.7009035739122544
Energy: 0.7019329416152059
Energy: 0.6860780236171579
Energy: 0.6246954733304277
Energy: 0.7469914898048545
Energy: 0.6388426179504262
Energy: 0.7926323610208649
Energy: 0.7935702399635984
Energy: 0.6389187383048517
Energy: 0.7592294060161695
Energy: 0.7346485036338822
Energy: 0.688119548877086
Energy: 0.7115539094939071
Energy: 0.725232949261492
Energy: 0.7269934598313422
Energy: 0.7123471455600142
Energy: 0.7268317610594246
Energy: 0.7007123673984056
Energy: 0.7334899435231811
Energy: 0.7322845973694564
Energy: 0.718685194810787
Energy: 0.7370553146208924
Energy: 0.7817817280431132
Energy: 0.6846552781066491
Energy: 0.7464787682544733
Energy: 0.7455929718041607
Energy: 0.6850244633376964
Energy: 0.7133895268236948
Energy: 0.6903783932381389
Energy: 0.7619448809252799
Energy: 0.7449148879328081
Energy: 0.7734006210772422
Energy: 0.7759441293468529
Energy: 0.6880457010812051
Energy: 0.7817446734181382
Energy: 0.6964055835440337
Energy: 0.6533336909711189
Energy: 0.6517298705394863
Energy: 0.6962604866330628
Energy: 0.6558546972287612
Energy: 0.6480811918106794
Energy: 0.715239787851215
Energy: 0.7552839893743447
Energy: 0.7520354766499285
Energy: 0.7340838152326494
Energy: 0.7243713526157635
Energy: 0.7235930933247346
Energy: 0.6206368716452048
Energy: 0.7570432684018886
Energy: 0.7568857091472674
Energy: 0.617193584479065
Energy: 0.7574172401603047
Energy: 0.6142406003816192
Energy: 0.61369597384537
Energy: 0.7107392627068861
Energy: 0.7342526422957707
Energy: 0.6140076604163376
Energy: 0.7080627984884106
Energy: 0.6148407374029287
Energy: 0.7381315591209077
Energy: 0.6501689596616912
Energy: 0.7320996485509781
Energy: 0.75928837145936
Energy: 0.6518047106891525
Energy: 0.7374269634571723
Energy: 0.7067541600295778
Energy: 0.5823773963575745
Energy: 0.5823515261741055
Energy: 0.7067439127581792
Energy: 0.5879151071140234
Energy: 0.5818966526978643
Energy: 0.7054347302143592
Energy: 0.7172450341440184
Energy: 0.7179925524615486
Energy: 0.705826407667975
Energy: 0.7016409361449316
Energy: 0.7141933704301117
Energy: 0.5684587930480656
Energy: 0.723022530620646
Energy: 0.5683859860204218
Energy: 0.5678702673563174
Energy: 0.7210071454781115
Energy: 0.5667964061369465
Energy: 0.5688313938264143
Energy: 0.7548087694285459
Energy: 0.7531565261374003
Energy: 0.5688933757147864
Energy: 0.7524687691980833
Energy: 0.569569048873948
Energy: 0.6981516670535126
Energy: 0.6333839011883665
Energy: 0.7535294653953196
Energy: 0.7525599307342108
Energy: 0.5690192212559972
Energy: 0.7524784881702357
Energy: 0.6979472002753563
Energy: 0.5672449434042574
Energy: 0.5667005899399657
Energy: 0.6980691374607947
Energy: 0.5700352531204494
Energy: 0.5670886334856002
Energy: 0.6980199733909872
Energy: 0.717402275692092
Energy: 0.7220374908625748
Energy: 0.6964630292423971
Energy: 0.7052712551482447
Energy: 0.7218605582095514
Energy: 0.5874815456560276
Energy: 0.7170781712032475
Energy: 0.5869784175505421
Energy: 0.5856372224109516
Energy: 0.7053450518991652
Energy: 0.5842750888523729
Energy: 0.5852631852360911
Energy: 0.7576401445480199
Energy: 0.7585460253102713
Energy: 0.5852698926065979
Energy: 0.7587030812293115
Energy: 0.7556544377679081
Energy: 0.7088555442498135
Energy: 0.6159879479382159
Energy: 0.6144488183052951
Energy: 0.7790831921037116
Energy: 0.6150802819931109
Energy: 0.7808900803521825
Energy: 0.7434791658400478
Energy: 0.6158564487582059
Energy: 0.6115812730990594
Energy: 0.7435587892098746
Energy: 0.6215603944525728
Energy: 0.611199001939342
Energy: 0.7281848319330275
Energy: 0.7320847533423722
Energy: 0.7322672028247599
Energy: 0.7287610336403906
Energy: 0.7075634969818845
Energy: 0.7538639231448281
Energy: 0.6531105939899817
Energy: 0.7358784889574089
Energy: 0.7360635245173428
Energy: 0.6533597092920355
Energy: 0.7368810891792019
Energy: 0.6506465796842548
Energy: 0.629551298223354
Energy: 0.7725523502883941
Energy: 0.7816848490823778
Energy: 0.6295408848843121
Energy: 0.7941887617443661
Energy: 0.7933767699229474
Energy: 0.715971275535979
Energy: 0.680372239614223
Energy: 0.7149447219085843
Energy: 0.7279864212249252
Energy: 0.6804359409513636
Energy: 0.7272775322396227
Energy: 0.6653331757937543
Energy: 0.724003036160435
Energy: 0.7211716725140387
Energy: 0.6592396890609211
Energy: 0.7018082248296325
Energy: 0.7256761985244922
Energy: 0.6988192669657687
Energy: 0.7445947782859828
Energy: 0.7545439163311697
Energy: 0.6993056407063932
Energy: 0.7195422196770085
Energy: 0.7500471586953669
Energy: 0.7922100927383535
Energy: 0.7523908032075314
Energy: 0.7897079594381321
Energy: 0.7568270968317602
Energy: 0.6457758402831908
Energy: 0.7333185548447453
Energy: 0.6505570594238681
Energy: 0.6914196255538254
Energy: 0.6907943817080963
Energy: 0.6504089864646617
Energy: 0.6936723885857505
Energy: 0.7349273767756516

minimum gb energy = 0.5667005899399657 eV
minimum distance =  2.30978425600793 Angstroms
sigma value = 67


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

Energy: 1.0335607295151776
Energy: 0.8928820732015381
Energy: 0.9449698015193504
Energy: 1.0147679665065128
Energy: 1.0989264715208866
Energy: 0.9089287505439699
Energy: 0.9030248357165743
Energy: 0.9356799849534162
Energy: 0.9338129116163941
Energy: 0.89537559447677
Energy: 0.9472064373360612
Energy: 0.9385076114098945
Energy: 0.9781244751607565
Energy: 0.9453138834267691
Energy: 0.9557611246105507
Energy: 0.9384539151973259
Energy: 1.0119221079390404
Energy: 0.9809070187847302
Energy: 0.8638260908452273
Energy: 0.9652884291389515
Energy: 0.9660255426475398
Energy: 0.8647194806138451
Energy: 0.8928854000261044
Energy: 0.9539972279766649
Energy: 0.8561659835352168
Energy: 0.9887266163825205
Energy: 0.983688738955134
Energy: 0.8563042971402749
Energy: 0.9453436414132561
Energy: 0.982855214468797
Energy: 0.9238130132848382
Energy: 0.9101621614204303
Energy: 0.9478174870812128
Energy: 0.7903620879037478
Energy: 0.9102184676132992
Energy: 0.9950953847857824
Energy: 0.861426023408539
Energy: 0.8980403356474673
Energy: 0.889679942833444
Energy: 0.8627968530850033
Energy: 0.8973503314969702
Energy: 0.8793576269291405
Energy: 0.8546244514150735
Energy: 0.9697714338623122
Energy: 0.8881780367293933
Energy: 0.8530066602422647
Energy: 0.8652830152294736
Energy: 0.9047712866229285
Energy: 0.9204696358335512
Energy: 0.8983756308583024
Energy: 0.954666787999446
Energy: 0.9116274478052389
Energy: 0.7866145681847542
Energy: 0.9674819613432377
Energy: 0.9243975927544544
Energy: 0.7996620939610645
Energy: 0.788273374150524
Energy: 0.9258738614526555
Energy: 0.7962146364456898
Energy: 0.7878080401370727
Energy: 0.9163199437835287
Energy: 0.926483482869693
Energy: 0.9658239089132266
Energy: 0.7556808122380531
Energy: 0.8930970644569457
Energy: 0.9670990304429786
Energy: 0.7519587699315778
Energy: 0.9352831974538314
Energy: 0.750403539534038
Energy: 0.7504573392246545
Energy: 0.8523798870801422
Energy: 0.7499225762503109
Energy: 0.7540297951732992
Energy: 0.938266167950627
Energy: 0.9219725664170104
Energy: 0.7541763657387516
Energy: 0.7565767773135272
Energy: 0.752990907758325
Energy: 0.8889276592601594
Energy: 0.9091065345693622
Energy: 0.9214794439266061
Energy: 0.7536865864070836
Energy: 0.9104961865212964
Energy: 0.9301819778639819
Energy: 0.8922871505368419
Energy: 0.751504400053817
Energy: 0.7512831634692522
Energy: 0.8929902020521578
Energy: 0.7558595619354146
Energy: 0.7502575013308497
Energy: 0.9090484906891114
Energy: 0.9252518178074881
Energy: 0.9300673406636201
Energy: 0.9114468750627969
Energy: 0.8341941176916247
Energy: 0.9355587488702003
Energy: 0.8025159820620372
Energy: 0.9431814342020856
Energy: 0.8450608967435825
Energy: 0.7957569774363943
Energy: 0.8546957353117615
Energy: 0.7925171661865463
Energy: 0.7890443456927336
Energy: 0.9512370877822417
Energy: 0.9557403395327052
Energy: 0.7885070977511075
Energy: 0.9540052876208491
Energy: 0.7889799245453106
Energy: 0.9473577765460417
Energy: 0.9180919633169476
Energy: 0.9734916808950802
Energy: 0.7704726745294624
Energy: 0.9173632605420268
Energy: 1.0140606736245747
Energy: 0.879729765033115
Energy: 0.9086693916846841
Energy: 0.9036373475855627
Energy: 0.87970631967215
Energy: 0.8674031432010226
Energy: 0.901400582925931
Energy: 0.8877950180775205
Energy: 0.9574991263715247
Energy: 0.9394548501232535
Energy: 0.8863543136697305
Energy: 0.9326888996318874
Energy: 0.9741928455856924
Energy: 0.9762816074408518
Energy: 0.9304398495796145
Energy: 0.9633159302632168
Energy: 0.9380937456918451
Energy: 0.9886311462018611
Energy: 0.9747344653971252
Energy: 0.8937895503665894
Energy: 0.8621251883669038
Energy: 0.8566518941966773
Energy: 0.8933542124932133
Energy: 0.8687094314946798
Energy: 0.9027857004198242

minimum gb energy = 0.7499225762503109 eV
minimum distance =  2.26913048489227 Angstroms
sigma value = 33


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

Energy: 1.9404017194658612
Energy: 1.0650002911320158
Energy: 1.0632300381024027
Energy: 1.1901163055807356
Energy: 1.0179691859400646
Energy: 1.0570240756379463
Energy: 1.004817303981034
Energy: 1.0794028152525879
Energy: 1.0510424975992998
Energy: 1.0560246887108917
Energy: 1.0885558920696412
Energy: 1.0877081730886586
Energy: 1.1061117763676163
Energy: 1.0222029861378634
Energy: 1.0831678974964716
Energy: 1.0503807427255267
Energy: 0.9636578823303344
Energy: 1.040435297560792
Energy: 0.960862653765518
Energy: 1.0822343186619663
Energy: 1.0822090783888851
Energy: 0.9625923991757079
Energy: 0.9463520432572611
Energy: 1.0820745857234402
Energy: 0.9531757433704781
Energy: 1.0513057274208195
Energy: 1.0853915520245596
Energy: 0.9535614168000176
Energy: 1.0864051028237454
Energy: 1.085713657924761
Energy: 1.0306273549964908
Energy: 1.0645694995114179
Energy: 1.1727027259268756
Energy: 0.8677019733279846
Energy: 1.0409441800346582
Energy: 1.0658705179532864
Energy: 0.9525370402862705
Energy: 1.0887281666726616
Energy: 1.0754115383940508
Energy: 0.9513579612899546
Energy: 1.0877066768097927
Energy: 0.9873038903621218
Energy: 0.9580293431152287
Energy: 0.8694264048205204
Energy: 0.9901925252203971
Energy: 0.9581275243941741
Energy: 0.8694562491866856
Energy: 0.9577307434949583
Energy: 1.0284277777765447
Energy: 0.9933365087702266
Energy: 1.0642389575142068
Energy: 0.9887734504613135
Energy: 0.9625907763150957
Energy: 1.0681467091410313
Energy: 1.029668990832205
Energy: 0.869944496692771
Energy: 0.8698129536596344
Energy: 1.0314654483367838
Energy: 0.8714177656328569
Energy: 0.8697617265583032
Energy: 1.0294031452093804
Energy: 1.057781541660313
Energy: 1.0557323440607786
Energy: 0.8725575407465137
Energy: 1.0493248540911557
Energy: 1.0562526429701848
Energy: 0.8690400306614057
Energy: 0.8701201572375145
Energy: 0.8697891748376797
Energy: 0.868975744110556
Energy: 0.8945774167433906
Energy: 0.8698027034796493
Energy: 0.8681008816729795
Energy: 0.9793365927151312
Energy: 0.8696857542191091
Energy: 0.8683915048053419
Energy: 0.9893462201164758
Energy: 0.8688717960813096
Energy: 1.0307435754189116
Energy: 1.0597319890457724
Energy: 1.0656842028441886
Energy: 0.8420059682269052
Energy: 1.0278086972863874
Energy: 1.0447847778157584
Energy: 0.945586168416262
Energy: 0.9574356880094241
Energy: 0.9891950956838598
Energy: 0.9458572745067233
Energy: 0.9569613358139261
Energy: 0.9895958718569988
Energy: 0.9659363630316418
Energy: 1.0055438184512226
Energy: 1.075510893383308
Energy: 0.9900506677980295
Energy: 0.8929619544644686
Energy: 0.9887697558008861
Energy: 1.104993820419574
Energy: 0.8941216799445747
Energy: 1.0771561634430544
Energy: 1.0572085870446888
Energy: 0.8940797811393973
Energy: 1.077607548732208
Energy: 1.1491489044026828
Energy: 1.0559378502974128
Energy: 1.0444302361387268
Energy: 1.0495149624598261
Energy: 1.0834698536249758
Energy: 1.0924533748320802
Energy: 1.0094623159125955
Energy: 1.0327943910158321
Energy: 1.3025569981786218
Energy: 0.8926974870939245
Energy: 1.0314315597752497
Energy: 1.0414275651478584
Energy: 1.0056947536924343
Energy: 1.0789628666305213
Energy: 1.0506992699598259
Energy: 1.0038828442806733
Energy: 1.0873255629558505
Energy: 1.053049097029723
Energy: 1.1078763626338297
Energy: 1.0203868452558154
Energy: 1.0823755885843236
Energy: 1.0496990781739017
Energy: 0.9477131915347748
Energy: 1.0424663756725245
Energy: 1.0486550806071941
Energy: 1.0220889557468842
Energy: 1.0823233829856633
Energy: 1.0439810301724841
Energy: 1.1777451236173018
Energy: 1.081952111242192
Energy: 1.0420154259179508
Energy: 1.0514719976641844
Energy: 1.0856172757845008
Energy: 1.0420763365578563
Energy: 1.0880297916064197
Energy: 1.087700023781768
Energy: 1.0277061889855033
Energy: 1.0390816117010382
Energy: 1.0392722261576546
Energy: 0.8677639445845358
Energy: 1.0391672035623059
Energy: 1.0326821897387872
Energy: 0.954724013484271
Energy: 1.0876679807111782
Energy: 1.0853676062858644
Energy: 0.9517323711856733
Energy: 1.0852274242600435
Energy: 0.9859118337647501
Energy: 0.9563670360155059
Energy: 0.8697342275147245
Energy: 0.99016756161338
Energy: 0.9567310309942494
Energy: 0.8690227943967683
Energy: 0.9571408933467214
Energy: 1.0285130409069634
Energy: 0.9848889403401516
Energy: 1.0634199931776693
Energy: 1.0499356181745716
Energy: 0.9625871136407356
Energy: 1.0649344851401181
Energy: 1.029129053111725
Energy: 0.8696701139553694
Energy: 0.8695591988865403
Energy: 1.0313270136820332
Energy: 0.8721346545370039
Energy: 0.869634168561021
Energy: 1.0307540774193211
Energy: 1.049340495522745
Energy: 1.0547356992239643
Energy: 0.8686405917437229
Energy: 0.9652556874455521
Energy: 1.0586901496855727
Energy: 0.8695393329301433
Energy: 0.8727270420458135
Energy: 0.9274619983682258
Energy: 0.8696475951558585
Energy: 0.8935604389445898
Energy: 0.8700398437709758
Energy: 0.8693734564638308
Energy: 0.9842179215883199
Energy: 0.8698421285023638
Energy: 0.8683946767027257
Energy: 0.9890778795555107
Energy: 0.8692651064940898
Energy: 1.0321997067222728
Energy: 0.9824055636994211
Energy: 1.0630183371521813
Energy: 0.9439071893127423
Energy: 1.0272777431836009
Energy: 1.0461456698989406
Energy: 0.9455388048580441
Energy: 0.9565970930592875
Energy: 0.9888073745109037
Energy: 0.9457854364365214
Energy: 0.9591168207369244
Energy: 0.9890846718329217
Energy: 0.9652843168571461
Energy: 0.8925619527307774
Energy: 0.9889694456983454
Energy: 0.9888897777785389
Energy: 0.8916494210565064
Energy: 0.9882870502844323
Energy: 1.1055287192086307
Energy: 0.8940429456581187
Energy: 1.0785026571050453
Energy: 1.1060073034520093
Energy: 0.8416856704994078
Energy: 1.047894289926487
Energy: 1.1487385761781523
Energy: 1.042564675724673
Energy: 1.0440333733366598
Energy: 1.0630692037040617
Energy: 1.082259128175235
Energy: 1.0930312223275933
Energy: 1.022954755340372
Energy: 1.0548178410836047
Energy: 1.0610800292764238
Energy: 0.8927041736219449
Energy: 1.0325955713086863
Energy: 1.042186926600389

minimum gb energy = 0.8416856704994078 eV
minimum distance =  2.27085899296685 Angstroms
sigma value = 41


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

Energy: 1.7070980311859807
Energy: 1.3266301403771923
Energy: 1.3274158601693993
Energy: 1.0073787626212083
Energy: 1.1924499852945358
Energy: 1.3265008312000535
Energy: 1.1171446576579802
Energy: 1.215273890416327
Energy: 1.2192163799516424
Energy: 1.2142053203567726
Energy: 1.2123681254809375
Energy: 1.2043647677955147
Energy: 1.2884087787460716
Energy: 1.051437331620366
Energy: 1.1793920871431147
Energy: 1.1990843910519415
Energy: 1.0556507112422955
Energy: 1.180020245757667
Energy: 1.194831042116465
Energy: 1.0720172542821746
Energy: 1.1439596581778422
Energy: 1.2012264434170092
Energy: 1.0502446403814112
Energy: 1.2087778168742316
Energy: 1.054091783797461
Energy: 1.2186181838264596
Energy: 1.2166106278567241
Energy: 1.0570813072316296
Energy: 1.2125556769027999
Energy: 1.1549597111192524
Energy: 1.2304549228967343
Energy: 1.255718711692471
Energy: 1.25965085158076
Energy: 1.0878046767607572
Energy: 1.2559558566860616
Energy: 1.053967880916875
Energy: 1.0527847213114723
Energy: 1.2208343963385033
Energy: 1.0886049862259526
Energy: 1.0533523264861633
Energy: 1.214739309612374
Energy: 1.0705170666214445
Energy: 1.0574006032521024
Energy: 1.0175562722282743
Energy: 1.0859990329676807
Energy: 1.054511357702164
Energy: 1.0888362589109037
Energy: 1.0536948809734143
Energy: 1.172994707654377
Energy: 1.11241251382167
Energy: 1.0870149636049204
Energy: 1.1934731457274868
Energy: 1.117819681279625
Energy: 1.1486352306318233
Energy: 1.1037781088463454
Energy: 1.0758295857517288
Energy: 1.0723055997100224
Energy: 1.2219564808984786
Energy: 1.0555942899166402
Energy: 1.014579642870834
Energy: 1.2252617765847535
Energy: 1.0542828126800416
Energy: 1.0983732125676093
Energy: 1.2216615223008733
Energy: 0.9880447567293039
Energy: 1.2253022315719475
Energy: 1.1926239072596687
Energy: 0.9861770910842074
Energy: 1.1001302995161366
Energy: 1.1932576365756256
Energy: 0.9857641793336451
Energy: 1.1504537205347376
Energy: 1.305393640009961
Energy: 1.2021623542811801
Energy: 1.1902773474112396
Energy: 1.1981380361185758
Energy: 1.1956300040558672
Energy: 1.2126900517877415
Energy: 1.2477215547015441
Energy: 1.1940687710237843
Energy: 1.2589489539683898
Energy: 0.9843728679640115
Energy: 1.1936068326312892
Energy: 1.1188502300721872

minimum gb energy = 0.9843728679640115 eV
minimum distance =  2.29673957036264 Angstroms
sigma value = 11


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

Energy: 2.126171718813024
Energy: 1.3869948373868757
Energy: 1.5218287225019402
Energy: 1.234230553016745
Energy: 1.6054135178854454
Energy: 1.2274052949958054
Energy: 1.4083177944471037
Energy: 1.1867920622459882
Energy: 1.2024605028212545
Energy: 1.2974617574689438
Energy: 1.179353006561499
Energy: 1.2177838754821881
Energy: 1.4886644612535087
Energy: 1.2070961839645535
Energy: 1.206859550088549
Energy: 1.488447333911271
Energy: 1.1761563851029992
Energy: 1.2137576717884913
Energy: 1.3152036640276048
Energy: 1.1933012800633898
Energy: 1.2151859477823534
Energy: 1.3231756005190856
Energy: 1.1711150348880206
Energy: 1.213932628800813
Energy: 1.294028102432902
Energy: 1.2182153688214257
Energy: 1.2158159621165994
Energy: 1.296691741644191
Energy: 1.1908700618147798
Energy: 1.225112387117085
Energy: 1.3070193255397429
Energy: 1.2717418244628584
Energy: 1.269389362414894
Energy: 1.2219293338605102
Energy: 1.2692545392199879
Energy: 1.2221863153076784
Energy: 1.2633183540684503
Energy: 1.2248232504697072
Energy: 1.2164958809715034
Energy: 1.2670591656387171
Energy: 1.209822646337714
Energy: 1.2520125582321868
Energy: 1.2173706433456295
Energy: 1.2317900625677909
Energy: 1.21698914524047
Energy: 1.1947298671231965
Energy: 1.2935928961908973
Energy: 1.216445157301536
Energy: 1.1848861929257695
Energy: 1.305711843243169
Energy: 1.2830972745562998
Energy: 1.1997842516860802
Energy: 1.3205046884039697
Energy: 1.1585822359871398
Energy: 1.1848709068798646
Energy: 1.3377386205419475
Energy: 1.2132259900567268
Energy: 1.2458037790076806
Energy: 1.454376070560798
Energy: 1.1587181211132165
Energy: 1.2066339446430672
Energy: 1.2307418827339893
Energy: 1.2176323418378578
Energy: 1.19174278034546
Energy: 1.2298518510336185
Energy: 1.2183530771652262
Energy: 1.333631656542557
Energy: 1.204511926672606
Energy: 1.2074652885015305
Energy: 1.310939600984981
Energy: 1.198743352789373
Energy: 1.2811843827595868
Energy: 1.176432766696096
Energy: 1.2973370880350987
Energy: 1.2958397865555722
Energy: 1.1765653487935344
Energy: 1.295298640919283
Energy: 1.20666838721892
Energy: 1.2416460375302671
Energy: 1.4366557521661314
Energy: 1.2149936288861753
Energy: 1.199189389267386
Energy: 1.4908522886914117
Energy: 1.2122404807592018
Energy: 1.168347795577016
Energy: 1.3050374757345418
Energy: 1.1881540316392099
Energy: 1.1713512032341225
Energy: 1.3010153944504972
Energy: 1.1965846687429547
Energy: 1.1531021560580554
Energy: 1.2022757543459675
Energy: 1.1863237273345486
Energy: 1.154736094996483
Energy: 1.2038502379129061
Energy: 1.1858792333694717
Energy: 1.1885352801143685
Energy: 1.252309360059304
Energy: 1.2104916570187045
Energy: 1.1848896924936714
Energy: 1.246171325277894
Energy: 1.2026445517741322
Energy: 1.6452461204916549
Energy: 1.360877373783665
Energy: 1.2926947275865586
Energy: 1.2388918934894328
Energy: 1.3662377159978218
Energy: 1.232129737778213
Energy: 1.226362000585494
Energy: 1.2298816497089187
Energy: 1.2264724478571556
Energy: 1.2249019935377745
Energy: 1.22961642778201
Energy: 1.2254995229950685
Energy: 1.2935716921641374
Energy: 1.1584387011161688
Energy: 1.1582111145120102
Energy: 1.2755460461108905
Energy: 1.1591685522726083
Energy: 1.230421168273474
Energy: 1.329446295708145
Energy: 1.2439708415571609
Energy: 1.2298397140601847
Energy: 1.3315265681369959
Energy: 1.1563868525678611
Energy: 1.2364842368527027
Energy: 1.210822208558926
Energy: 1.2687368464339612
Energy: 1.237245336287872
Energy: 1.1733137523983155
Energy: 1.2673859148567017
Energy: 1.2394420712868779
Energy: 1.2269698871598569
Energy: 1.2725700333584875
Energy: 1.2651432177729203
Energy: 1.1531470040549483
Energy: 1.2730517928968945
Energy: 1.1913603400282593
Energy: 1.3412344625359467
Energy: 1.231920578241471
Energy: 1.2230324043637004
Energy: 1.2244500233860531
Energy: 1.2324775472415277
Energy: 1.2243945531966518
Energy: 1.369781143045533
Energy: 1.241070480405927
Energy: 1.2426741463215953
Energy: 1.3705062951726692
Energy: 1.2233417943391915
Energy: 1.2931678104902031
Energy: 1.3162463413584786
Energy: 1.1991320144615123
Energy: 1.2021487847133911
Energy: 1.246393678730844
Energy: 1.1923832137630161
Energy: 1.2111743887236164
Energy: 1.3265236265635985
Energy: 1.1871924416363675
Energy: 1.1862989510711421
Energy: 1.2460649404620396
Energy: 1.153767564132961
Energy: 1.1858601163706777
Energy: 1.315895713389822
Energy: 1.1798630528043386
Energy: 1.244326961410686
Energy: 1.3066401084286046
Energy: 1.1725049102891423
Energy: 1.1973599827232047
Energy: 1.4700099271141491
Energy: 1.2349639102329333
Energy: 1.2273574846416466
Energy: 1.4699919810527797
Energy: 1.2315437752098575
Energy: 1.229559417194205
Energy: 1.4931687639994093
Energy: 1.1957489796473078
Energy: 1.2064716068191825
Energy: 1.2965743558177216
Energy: 1.1750596866658167
Energy: 1.2801495033736796
Energy: 1.2476881215491658
Energy: 1.2881249075567067
Energy: 1.29479775992291
Energy: 1.1586446667277914
Energy: 1.2871407554299685
Energy: 1.2140886943000744

minimum gb energy = 1.1531021560580554 eV
minimum distance =  2.26067425336051 Angstroms
sigma value = 57


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

Energy: 1.8775758469379873
Energy: 1.4349119661008696
Energy: 1.2171880993014033
Energy: 1.5160334744456803
Energy: 1.8233925149819596
Energy: 1.521503939809428
Energy: 1.1168570915966547
Energy: 1.204637426061736
Energy: 1.1664937202580992
Energy: 1.2397222928792153
Energy: 1.1596303649963715
Energy: 1.1669885797348487
Energy: 1.315253750916777
Energy: 1.1552543533562993
Energy: 1.1557889004594162
Energy: 1.3165846618198116
Energy: 1.155584266734834
Energy: 1.1588915481527815
Energy: 1.2483687889795996
Energy: 1.1689289625292114
Energy: 1.1681366205648023
Energy: 1.1640500776461107
Energy: 1.1880771828923755
Energy: 1.1691583069397171
Energy: 1.247872936370802
Energy: 1.1685825840221924
Energy: 1.1683059902849244
Energy: 1.23649015408656
Energy: 1.3184482474783468
Energy: 1.1681108161739058
Energy: 1.288890043365244
Energy: 1.2315592778039484
Energy: 1.2058850075696494
Energy: 1.2130862824564406
Energy: 1.2304602759112955
Energy: 1.2210713442533456
Energy: 1.3231749978158998
Energy: 1.2246037683263669
Energy: 1.234930295978599
Energy: 1.2894537541394437
Energy: 1.2253217280556488
Energy: 1.2059937794809499
Energy: 1.313753367111925
Energy: 1.2380970020643338
Energy: 1.1703219700551941
Energy: 1.3158361465329116
Energy: 1.2363767607389224
Energy: 1.1691510029062189
Energy: 1.1165366213384604
Energy: 1.1600888033892847
Energy: 1.1443583437633635
Energy: 1.1438517390354277
Energy: 1.162147486847669
Energy: 1.1441908791811066
Energy: 1.1175630928526163
Energy: 1.1608244221835278
Energy: 1.1442916582025542
Energy: 1.1437530221684051
Energy: 1.3164489244747979
Energy: 1.1441056997964767
Energy: 1.3146276593752366
Energy: 1.2363487918894276
Energy: 1.1696009749576517
Energy: 1.3158581143126242
Energy: 1.2376343423849787
Energy: 1.1690057179272182
Energy: 1.655804228547054
Energy: 1.2011006198768504
Energy: 1.2006431272039433
Energy: 1.656877638974863
Energy: 1.2005355322051825
Energy: 1.159207589015647
Energy: 1.247593633841935
Energy: 1.158393151018416
Energy: 1.1665027392200276
Energy: 1.2369233634750465
Energy: 1.2370577232775484
Energy: 1.203615488684823
Energy: 1.2903200440518034
Energy: 1.3074322956405702
Energy: 1.168986929173446
Energy: 1.2108913574536737
Energy: 1.291303224097269
Energy: 1.1665720124998584
Energy: 1.3267344831692207
Energy: 1.144408174959441
Energy: 1.167980586198331
Energy: 1.203827194114419
Energy: 1.1451735694379148
Energy: 1.1679796783820668
Energy: 1.3145079013668346
Energy: 1.1444104834288429
Energy: 1.1439834739958386
Energy: 1.3166116377784032
Energy: 1.1969273590495484
Energy: 1.1693799771867786
Energy: 1.1186797349310702
Energy: 1.1603551128440168
Energy: 1.165862332242513
Energy: 1.1178509818252342
Energy: 1.23592147922933
Energy: 1.2244756950694524

minimum gb energy = 1.1165366213384604 eV
minimum distance =  2.29120570167829 Angstroms
sigma value = 9


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

Energy: 2.1883200508718232
Energy: 1.36942168126753
Energy: 1.3216366097251262
Energy: 1.4199678908533504
Energy: 1.318076889869871
Energy: 1.4220425092850468
Energy: 1.3976715556524582
Energy: 1.3096028125068857
Energy: 1.2993176641039033
Energy: 1.2805101275153952
Energy: 1.3091654941816375
Energy: 1.2803015821447823
Energy: 1.4173870053866822
Energy: 1.2856653051700755
Energy: 1.305078328821861
Energy: 1.4183579426686006
Energy: 1.2941168000602234
Energy: 1.2909799617885716
Energy: 1.3099246712830799
Energy: 1.2790133645303838
Energy: 1.272456603620604
Energy: 1.288122842231933
Energy: 1.344403568779115
Energy: 1.2724706830084216
Energy: 1.3640967222744298
Energy: 1.2940882944678807
Energy: 1.2564667107828262
Energy: 1.302382077056267
Energy: 1.3225416714916098
Energy: 1.265627358222565
Energy: 1.301429205670879
Energy: 1.2658148329104788
Energy: 1.2672618470352508
Energy: 1.2729481479620106
Energy: 1.2672930410819405
Energy: 1.2658072151613655
Energy: 1.4503664408378765
Energy: 1.2747143241682326
Energy: 1.3296356840998915
Energy: 1.333766601327388
Energy: 1.2777986623259543
Energy: 1.4140087580528504
Energy: 1.339256839023925
Energy: 1.283386718880702
Energy: 1.268503062939633
Energy: 1.3406458007239943
Energy: 1.2753616029946222
Energy: 1.2650545410716032
Energy: 1.3581158590845657
Energy: 1.295104121756456
Energy: 1.269082246912776
Energy: 1.2917130479941235
Energy: 1.3358616997603858
Energy: 1.3029004864223435
Energy: 1.3637600769405
Energy: 1.2706135942596433
Energy: 1.2697661805355487
Energy: 1.2793644775767412
Energy: 1.2707687182708587
Energy: 1.26808284817508
Energy: 1.3396352879484303
Energy: 1.2618254714869177
Energy: 1.2567761326993792
Energy: 1.3385028579447342
Energy: 1.2798049993907554
Energy: 1.2563091147968777
Energy: 1.3170307606943135
Energy: 1.2781221133373981
Energy: 1.266169897719041
Energy: 1.3272529630457173
Energy: 1.3059938426076738
Energy: 1.2954439262232644
Energy: 1.6317021121974042
Energy: 1.2842010662180645
Energy: 1.307496538702245
Energy: 1.2765344636269522
Energy: 1.2774156092358018
Energy: 1.2468809363831894
Energy: 1.3483180600196392
Energy: 1.2745043052038894
Energy: 1.272764431362313
Energy: 1.2814413062876535
Energy: 1.3743336681036737
Energy: 1.2779486341994197
Energy: 1.3101055324309412
Energy: 1.2629573752467576
Energy: 1.2643407347737354
Energy: 1.3117553869840788
Energy: 1.2708665275904518
Energy: 1.3028678919723857
Energy: 1.2908897986119845
Energy: 1.2957568640491148
Energy: 1.2863309412951769
Energy: 1.2910730727226727
Energy: 1.2993284615361769
Energy: 1.2847967909544724
Energy: 1.2867803427006326
Energy: 1.2751618029092964
Energy: 1.2720626775050512
Energy: 1.3270382234368419
Energy: 1.273200041144254
Energy: 1.271178234074251
Energy: 1.5154168534244155
Energy: 1.317633046908841
Energy: 1.3244475154227695
Energy: 1.313465274022568
Energy: 1.38207024718978
Energy: 1.2677530395915086
Energy: 1.375825759421469
Energy: 1.2784966710646477
Energy: 1.3044296126306896
Energy: 1.3124749107654723
Energy: 1.2882227436186713
Energy: 1.3141516266390367
Energy: 1.4080616828422603
Energy: 1.2798051159676278
Energy: 1.277035351028779
Energy: 1.4075044407644168
Energy: 1.2822369759452246
Energy: 1.2908258326992237
Energy: 1.3021163014250345
Energy: 1.2936993583131884
Energy: 1.297959808640703
Energy: 1.261419807011315
Energy: 1.3058651818189042
Energy: 1.2985979206168752

minimum gb energy = 1.2468809363831894 eV
minimum distance =  2.26114901662715 Angstroms
sigma value = 27


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

Energy: 1.375206790395994
Energy: 1.2768843041059459
Energy: 1.1958402032712823
Energy: 1.205984985507546
Energy: 1.6986331841588183
Energy: 1.2823609587362093
Energy: 1.279312535968677
Energy: 1.2755283924875507
Energy: 1.273663001608608
Energy: 1.2792978237369441
Energy: 1.2789265043815157
Energy: 1.3648184451095753
Energy: 1.3685414218382483
Energy: 1.358118812602483
Energy: 1.2698326926908048
Energy: 1.317405333337707
Energy: 1.2544900422798333
Energy: 1.3610516910618902
Energy: 1.3557704624053712
Energy: 1.2648069429169302
Energy: 1.377332752483641
Energy: 1.379979166324173
Energy: 1.3446141927656627
Energy: 1.3425215673728514
Energy: 1.3959674218490556
Energy: 1.3226432777924126
Energy: 1.3032340988621944
Energy: 1.3168590361317893
Energy: 1.3298118577422415
Energy: 1.2597287249248548
Energy: 1.3893651071542674
Energy: 1.2937639784798982
Energy: 1.3152373720476127
Energy: 1.3482641850181756
Energy: 1.3219071932054431
Energy: 1.3272511481176166
Energy: 1.35561496952494
Energy: 1.203213574355753
Energy: 1.1981636737915473
Energy: 1.309433509567243
Energy: 1.1969003357225847
Energy: 1.1960975786558146
Energy: 1.3651154256184608
Energy: 1.2422760597833693
Energy: 1.301722860570696
Energy: 1.3592593438561844
Energy: 1.2392497789423025
Energy: 1.3375410057353465
Energy: 1.5166720756706842
Energy: 1.3086104286768363
Energy: 1.3282565168713218
Energy: 1.3421582070184577
Energy: 1.3337344714271475
Energy: 1.3300763682330474
Energy: 1.5216751474772299
Energy: 1.3379858515243517
Energy: 1.3408471712140495
Energy: 1.298258367518077
Energy: 1.3372265932236314
Energy: 1.3466514178517484
Energy: 1.3638610338454018
Energy: 1.325234524854591
Energy: 1.356250285049637
Energy: 1.3640585302818438
Energy: 1.313246948499119
Energy: 1.3597407938162265
Energy: 1.3448539614958963
Energy: 1.3140215580415806
Energy: 1.3101939890076706
Energy: 1.3419988654986448
Energy: 1.3106404031969987
Energy: 1.3129139384692852
Energy: 1.2607961025489054
Energy: 1.3675299197079702
Energy: 1.2138270460065914
Energy: 1.196064712425762
Energy: 1.35259133688247
Energy: 1.1950989856754313
Energy: 1.3502057507029084
Energy: 1.3528541153771902
Energy: 1.3491782462948148
Energy: 1.2253019360844495
Energy: 1.363496169939711
Energy: 1.2403592241412507
Energy: 1.3550581568995164
Energy: 1.3073115883383686
Energy: 1.3183487808841279
Energy: 1.3204718774804414
Energy: 1.310036681540724
Energy: 1.3381560593635002
Energy: 1.3534637184711018
Energy: 1.3303812362156242
Energy: 1.3504692665934246
Energy: 1.3539738142814604
Energy: 1.3302786535798259
Energy: 1.3588686780671673
Energy: 1.3988334503248485
Energy: 1.3581581035844086
Energy: 1.3582849416367269
Energy: 1.3566192567337563
Energy: 1.3663236462368435
Energy: 1.3594075334496385
Energy: 1.4123980607788198
Energy: 1.3390202604380417
Energy: 1.3044726294537448
Energy: 1.3012626810723191
Energy: 1.3461786663977187
Energy: 1.2932754212390856
Energy: 1.34904092376989
Energy: 1.1950804426265644
Energy: 1.22811908797144
Energy: 1.3440369852731424
Energy: 1.1970713905111738
Energy: 1.215095133180522
Energy: 1.3722733416192696
Energy: 1.2060580540555401
Energy: 1.228033905656497
Energy: 1.3167282091175434
Energy: 1.1969067880073196
Energy: 1.2178164484779708
Energy: 1.5154798218537795
Energy: 1.3079153413105455
Energy: 1.2616218997036648
Energy: 1.3532528003328586
Energy: 1.2610544743029541
Energy: 1.3183252098712774
Energy: 1.339423366459456
Energy: 1.2629411448370327
Energy: 1.347592893000446
Energy: 1.307364453305838
Energy: 1.348479278366356
Energy: 1.2649826277731238
Energy: 1.3695927702444528
Energy: 1.3622866042318642
Energy: 1.343253774468501
Energy: 1.3165053096745236
Energy: 1.3585536413077286
Energy: 1.3501543719972011
Energy: 1.3642430276408304
Energy: 1.3549352875961758
Energy: 1.2647596737312456
Energy: 1.2978205128113762
Energy: 1.2724590068951696
Energy: 1.3486055989121164
Energy: 1.2931435809386669
Energy: 1.2792523643625027
Energy: 1.2749530423733462
Energy: 1.2254995753243523
Energy: 1.2630797369008984
Energy: 1.308113486502724

minimum gb energy = 1.1950804426265644 eV
minimum distance =  2.26695716380371 Angstroms
sigma value = 19


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

Energy: 2.0540701565718287
Energy: 1.39485190901169
Energy: 1.3573702361105466
Energy: 1.6282904577961146
Energy: 1.5643515851801981
Energy: 1.2715097786536633
Energy: 1.3819115339086585
Energy: 1.268757854609981
Energy: 1.2751472098703844
Energy: 1.3087461612211526
Energy: 1.285287751883907
Energy: 1.2746875915080271
Energy: 1.331062291133609
Energy: 1.2616600582918753
Energy: 1.2629845590397526
Energy: 1.3285142680737225
Energy: 1.2587755337133035
Energy: 1.2587903190480019
Energy: 1.299480368438064
Energy: 1.2746180648764922
Energy: 1.2751630185295402
Energy: 1.2720771129912543
Energy: 1.2766880052800245
Energy: 1.2743474922451337
Energy: 1.3063615595580553
Energy: 1.3035842710336265
Energy: 1.3537111792807996
Energy: 1.2699305527916092
Energy: 1.330444904549314
Energy: 1.2685716545307226
Energy: 1.3044025571664237
Energy: 1.2741593866744496
Energy: 1.2755459476213167
Energy: 1.3173064299791566
Energy: 1.285027526817791
Energy: 1.2768029196600381
Energy: 1.386120937274041
Energy: 1.3982926606085566
Energy: 1.3972194875855468
Energy: 1.3858560914898648
Energy: 1.6628460634400322
Energy: 1.4267918466581762
Energy: 1.2891227319264476
Energy: 1.2748465987932007
Energy: 1.2770320957213717
Energy: 1.3004536369643966
Energy: 1.2729332221218785
Energy: 1.2727009980312884
Energy: 1.2900670560383347
Energy: 1.2622529699681448
Energy: 1.2633540586952152
Energy: 1.2583666295163223
Energy: 1.2555640562839372
Energy: 1.262149158330279
Energy: 1.291057812317391
Energy: 1.250561016050548
Energy: 1.2545687023230374
Energy: 1.267114464954855
Energy: 1.2447308008596132
Energy: 1.2565088258770387
Energy: 1.3470779970486577
Energy: 1.2532566898531294
Energy: 1.2601575643412835
Energy: 1.3472852608096824
Energy: 1.2585511367982887
Energy: 1.4486550068053985
Energy: 1.331989300854155
Energy: 1.2556160345027054
Energy: 1.2601217650896122
Energy: 1.3117976861539122
Energy: 1.3154577156567018
Energy: 1.2549222895714451
Energy: 1.335963905335146
Energy: 1.2646637731527173
Energy: 1.3553112075867444
Energy: 1.2605738219671234
Energy: 1.287573006859063
Energy: 1.3694733700545694
Energy: 1.3120980120262553
Energy: 1.2557248993789865
Energy: 1.2451768699495547
Energy: 1.253766817783248
Energy: 1.2621809300400213
Energy: 1.2447706957804439
Energy: 1.3589758607152607
Energy: 1.2397541294906227
Energy: 1.2400671907964418
Energy: 1.2699237830291512
Energy: 1.239847465843262
Energy: 1.2587907263418565
Energy: 1.2751897429907026
Energy: 1.2429407646799306
Energy: 1.240350483611989
Energy: 1.2854893354683607
Energy: 1.2434462793794219
Energy: 1.236001279707268
Energy: 1.318089244193464
Energy: 1.4056114230063612
Energy: 1.270679141069908
Energy: 1.4415013011044346
Energy: 1.4057044678636639
Energy: 1.2750105129625953
Energy: 1.351451843959409
Energy: 1.2329494846862237
Energy: 1.2337462416370955
Energy: 1.3222170795506032
Energy: 1.2907214980075088
Energy: 1.2322974432758798
Energy: 1.3132042276987161
Energy: 1.275311016442528
Energy: 1.258695725713175
Energy: 1.3115921813236768
Energy: 1.2693068358182225
Energy: 1.2395834048582146
Energy: 1.30787224845942
Energy: 1.2709316035231042
Energy: 1.2791539574611324
Energy: 1.2545576315845959
Energy: 1.2683276756580897
Energy: 1.239628010654058
Energy: 1.2851326921484862
Energy: 1.2327257518420882
Energy: 1.2509750253243772
Energy: 1.2474933851673358
Energy: 1.2470709632059171
Energy: 1.2528196476853628
Energy: 1.3003612030209837
Energy: 1.2600416459702262
Energy: 1.2569116818553632
Energy: 1.2995687650953636
Energy: 1.2705329079462395
Energy: 1.2696609444604035
Energy: 1.4129119269991144
Energy: 1.2734790401456686
Energy: 1.273115475124859
Energy: 1.4166901141455785
Energy: 1.2745617646485932
Energy: 1.2291764100698033
Energy: 1.2880802397221751
Energy: 1.2352934913996592
Energy: 1.2299436857853794
Energy: 1.2876511938206372
Energy: 1.2536606875722283
Energy: 1.2290970790329498
Energy: 1.3502170742484059
Energy: 1.2631550878829207
Energy: 1.2685840989617394
Energy: 1.2715698770474855
Energy: 1.2919599402838464
Energy: 1.27162224260449
Energy: 1.313933420514191
Energy: 1.2720461177343088
Energy: 1.274601470159341
Energy: 1.2552173291402637
Energy: 1.24166127202724
Energy: 1.2619911431970627
Energy: 1.2874901080488808
Energy: 1.2632227665397593
Energy: 1.2660752773050143
Energy: 1.2637651281950522
Energy: 1.2646518338228658
Energy: 1.2532921728816588
Energy: 1.3196267795966887
Energy: 1.265569636217361
Energy: 1.265069825848823
Energy: 1.255584347677783
Energy: 1.2676758675351785
Energy: 1.2801073254356057
Energy: 1.349435936751303
Energy: 1.2970977020992758
Energy: 1.3321594230130487
Energy: 1.2573617062472837
Energy: 1.332047377025511
Energy: 1.2285112454285252

minimum gb energy = 1.2285112454285252 eV
minimum distance =  2.26090662803538 Angstroms
sigma value = 101


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

Energy: 1.8431516918405066
Energy: 1.240645443767649
Energy: 1.2336798749487106
Energy: 1.1798949019451896
Energy: 1.383851189819059
Energy: 1.5641827603552603
Energy: 1.2657949305273724
Energy: 1.222757902588133
Energy: 1.2186776454491333
Energy: 1.2795300177135636
Energy: 1.2442228667396706
Energy: 1.213241380991166
Energy: 1.3154244935544959
Energy: 1.212166919466743
Energy: 1.2152052059951182
Energy: 1.3223236947685535
Energy: 1.210886105809897
Energy: 1.262261708069619
Energy: 1.287516231422906
Energy: 1.2212340111537545
Energy: 1.2139949155474756
Energy: 1.2161931909751003
Energy: 1.2134920584058893
Energy: 1.213202847075807
Energy: 1.2455316033936379
Energy: 1.3184026268687874
Energy: 1.3295217520550204
Energy: 1.2257461235774902
Energy: 1.3189351314935853
Energy: 1.2283338618634132
Energy: 1.287717010837472
Energy: 1.2137629564166241
Energy: 1.2157675121949254
Energy: 1.2899326962174258
Energy: 1.2291012849685679
Energy: 1.2147944339470826
Energy: 1.2937865799464912
Energy: 1.4680775873017726
Energy: 1.2455424984162766
Energy: 1.2955509855509297
Energy: 1.4098212157098704
Energy: 1.210285328105749
Energy: 1.2952007016783034
Energy: 1.2295111953939704
Energy: 1.213355184407295
Energy: 1.2835722211303202
Energy: 1.2133382382806857
Energy: 1.2160750427169842
Energy: 1.225888130788339
Energy: 1.210614881025396
Energy: 1.211008168648266
Energy: 1.2107727075044519
Energy: 1.2110294971788162
Energy: 1.2168936234485015
Energy: 1.249207011718863
Energy: 1.2137594774713458
Energy: 1.2132338243438388
Energy: 1.195563204749468
Energy: 1.2116489616748625
Energy: 1.2124689511286617
Energy: 1.4012446540495995
Energy: 1.2085186262499474
Energy: 1.1645168823497203
Energy: 1.4019934045240974
Energy: 1.1645452466326482
Energy: 1.2455900609639075
Energy: 1.286176016147702
Energy: 1.2276554488588294
Energy: 1.2160531754942487
Energy: 1.2879799959256346
Energy: 1.235923255259364
Energy: 1.2113839241216129
Energy: 1.2618341865268023
Energy: 1.2869972930448699
Energy: 1.2050239105401825
Energy: 1.2075751448034973
Energy: 1.2861793545587097
Energy: 1.2410421446637474
Energy: 1.2828291865698687
Energy: 1.2235445476143547
Energy: 1.2116951542308816
Energy: 1.2237152139476601
Energy: 1.2305967055591145
Energy: 1.211591063182854
Energy: 1.32721424390539
Energy: 1.2116789070674203
Energy: 1.2253424922483265
Energy: 1.2596750982528222
Energy: 1.211391284278822
Energy: 1.2205265871525777
Energy: 1.3162455760482357
Energy: 1.2086014708023196
Energy: 1.2147676723046426
Energy: 1.2384814665487698
Energy: 1.19732873410925
Energy: 1.213840740244095
Energy: 1.8481439591837974
Energy: 1.4353834027702757
Energy: 1.2227481131592253
Energy: 1.2502884857461238
Energy: 1.435276396026923
Energy: 1.1830901481596727
Energy: 1.2635751181449093
Energy: 1.220848492591467
Energy: 1.2208522406233504
Energy: 1.2382736872498492
Energy: 1.2444913219017468
Energy: 1.2084182441480134
Energy: 1.3796566015477456
Energy: 1.2404470173148727
Energy: 1.238637742164742
Energy: 1.3048164601270056
Energy: 1.2463268980657543
Energy: 1.2313450570508
Energy: 1.2926454716953129
Energy: 1.2398569281604976
Energy: 1.2292642291087372
Energy: 1.2214417993192284
Energy: 1.2288589588126895
Energy: 1.2186386538837422
Energy: 1.2496679709667482
Energy: 1.2209928902131404
Energy: 1.2510619711649111
Energy: 1.2229903264210498
Energy: 1.2220147566394628
Energy: 1.2420298362639066
Energy: 1.2774838487406246
Energy: 1.219000257762622
Energy: 1.2150990542775677
Energy: 1.2809727324510127
Energy: 1.2941434181610287
Energy: 1.2314095575382482
Energy: 1.2994972722370852
Energy: 1.236990215718367
Energy: 1.237293536685939
Energy: 1.300085756191948
Energy: 1.225560477093268
Energy: 1.2203257597740595
Energy: 1.3330881760374016
Energy: 1.2099166327840125
Energy: 1.209578335182152
Energy: 1.276659830144107
Energy: 1.2254254868178176
Energy: 1.286031425013828
Energy: 1.2473420735457945
Energy: 1.2416428942648565
Energy: 1.2403986837629417
Energy: 1.2096039555958857
Energy: 1.2116471291004516
Energy: 1.207188918495021
Energy: 1.22620659526566
Energy: 1.2152896700555291
Energy: 1.213462721392104
Energy: 1.2103824812174133
Energy: 1.21144077345201
Energy: 1.2281038667688493
Energy: 1.333714632322041
Energy: 1.2465415461160383
Energy: 1.2541946090948155
Energy: 1.2240499944040544
Energy: 1.2467610374161218
Energy: 1.2112413816716434
Energy: 1.2872820321221399
Energy: 1.2414695412431231
Energy: 1.2357547536410325
Energy: 1.2887083696076322
Energy: 1.2423690080714942
Energy: 1.2117966583551576
Energy: 1.2619731918312387
Energy: 1.2377194392501754
Energy: 1.2329643144515483
Energy: 1.236109704690868
Energy: 1.286278509656926
Energy: 1.2392684331851933
Energy: 1.262054857729803
Energy: 1.2458374657937599
Energy: 1.246100892189924
Energy: 1.2394264701364632
Energy: 1.2227530463073497
Energy: 1.2395942164442157
Energy: 1.2870577738244784
Energy: 1.2269760096987452
Energy: 1.2282517097616383
Energy: 1.2127730686859213
Energy: 1.2091986807390678
Energy: 1.2118245053283996
Energy: 1.3256873476825195
Energy: 1.205533061618959
Energy: 1.2060224309277698
Energy: 1.2824958085594753
Energy: 1.2097804550984095
Energy: 1.2171824751009035
Energy: 1.272329793265556
Energy: 1.2716640234288774
Energy: 1.2088887254346372
Energy: 1.2430500987604356
Energy: 1.2746863064375893
Energy: 1.2438973270291205

minimum gb energy = 1.1645168823497203 eV
minimum distance =  2.27376157654014 Angstroms
sigma value = 33


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

Energy: 0.0204660309381427
Energy: 0.021684439999921264
Energy: 0.021256805113861094
Energy: 0.023223436436713235
Energy: 0.8828967150841759
Energy: 0.02106826779495585
Energy: 0.02261560323712474
Energy: 0.15828893126423743
Energy: 0.15650367423503525
Energy: 0.15599524318466546
Energy: 0.15606460929236166
Energy: 0.15612265420541174
Energy: 1.3663867096506457
Energy: 0.8840921689477382
Energy: 0.8820221285950784
Energy: 1.3676323169004112
Energy: 0.8824592671865714
Energy: 0.8815257425595023
Energy: 0.02261560323712474
Energy: 0.15828893126377003
Energy: 0.15650367423456785
Energy: 0.15599524318466546
Energy: 0.15606460929236166
Energy: 0.15612265420634652

minimum gb energy = 0.0204660309381427 eV
minimum distance =  2.45953496184842 Angstroms
sigma value = 1