Model name: model_name=EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000
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=3.518121123313904
cohesive_energy=4.385853675361089
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=[2.5086881735172e-19, 3.3309732873850196e-19, 3.959667398566619e-19, 4.4820090247833e-19, 4.8908043929484e-19, 5.20600060215522e-19, 5.45991355511154e-19, 5.67596707420644e-19, 5.8677315955299e-19, 6.040045692516599e-19, 6.19380658408158e-19, 6.330199880933999e-19, 6.451340456230739e-19, 6.5584940295126595e-19, 6.65294234208696e-19, 6.737425115997779e-19, 6.81434561619612e-19, 6.88258231903818e-19, 6.9372485857902595e-19, 6.973217451223559e-19, 6.994686618119159e-19, 7.010580210328439e-19, 7.022163947392259e-19, 7.02636165017334e-19, 7.02184351206546e-19, 7.00753607472384e-19, 6.982285770971999e-19, 6.944923011867119e-19, 6.89439036083076e-19, 6.82958231598546e-19, 6.748816591865519e-19, 6.64938550995948e-19, 6.527315672215019e-19, 6.3768232209834e-19, 6.189624903066839e-19, 5.95452150379368e-19, 5.656821063430139e-19, 5.2724428671672e-19, 4.75924966953066e-19, 4.04539987025196e-19, 3.00110114021076e-19, 1.389683151385848e-19, -1.217865729155688e-19, -5.61101483346408e-19, -1.3278359289601798e-18, -2.68361381841732e-18, -4.94042380330338e-18, -8.80423297385778e-18, -1.579680471882006e-17, -2.9492867478672e-17, -5.933837403448739e-17, -1.346488469333208e-16, -3.67960692294342e-16, -1.3472254705848479e-15]
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: 0.017858715925256282
Energy: 0.7245804270083769
Energy: 0.018277826584800067
Energy: 0.018064631494559426
Energy: 0.7184734714272172
Energy: 0.018331186596572603
Energy: 0.7245804270054705
Energy: 0.1500847837450469
Energy: 0.1521434798946447
Energy: 0.1500602560440281
Energy: 0.14997761616861377
Energy: 0.15181688269159438
Energy: 0.01827782658608775
Energy: 0.1521434798946447
Energy: 0.15106823293531246
Energy: 0.01827773807103398
Energy: 0.15025608551279915
Energy: 0.15045408161699228
Energy: 0.018064631494559426
Energy: 0.1500602560437338
Energy: 0.018277738070702865
Energy: 0.018139653789570435
Energy: 0.15028558663066927
Energy: 0.0183665674504089
Energy: 0.7184734714301605
Energy: 0.14997761616894487
Energy: 0.15025608551279915
Energy: 0.1502855866313315
Energy: 0.1502257485448045
Energy: 0.15015970971191342
Energy: 0.018331186596241486
Energy: 0.15181688269159438
Energy: 0.15045408161537346
Energy: 0.01836656745074002
Energy: 0.15015970971224454
Energy: 0.01807197963501077

minimum gb energy = 0.017858715925256282 eV
minimum distance =  2.48628500060403 Angstroms
sigma value = 1


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

Energy: 1.745696620183647
Energy: 1.1365684118950845
Energy: 1.1949543768525859
Energy: 1.15758828763146
Energy: 1.1456187598954062
Energy: 1.215746624114297
Energy: 1.650327193241333
Energy: 1.1457886461078923
Energy: 1.1811429945809124
Energy: 1.181433488244379
Energy: 1.14590856852429
Energy: 1.1747604912164995
Energy: 1.559401050750372
Energy: 1.145616342769143
Energy: 1.1553009948782749
Energy: 1.1828780773708067
Energy: 1.144842573443292
Energy: 1.1371889801882296
Energy: 1.8095417180510749
Energy: 1.1442686949367697
Energy: 1.1441087149436806
Energy: 1.1367358680985893
Energy: 1.1485416931952084
Energy: 1.1367787021500577
Energy: 1.6497915523513476
Energy: 1.1811890167541648
Energy: 1.1798570946258686
Energy: 1.1834549112209172
Energy: 1.1741165668532474
Energy: 1.1824540042552374
Energy: 1.5830781486019196
Energy: 1.1793499266281509
Energy: 1.1790379604899712
Energy: 1.1779869801326837
Energy: 1.1797851290082293
Energy: 1.176596288142548
Energy: 1.6113333209200842
Energy: 1.1802673261603245
Energy: 1.1783807601517202
Energy: 1.1701298736026737
Energy: 1.1802070040946684
Energy: 1.1707502479025764
Energy: 1.5233065786018265
Energy: 1.1813597291111
Energy: 1.1867312752928907
Energy: 1.1751581231975705
Energy: 1.1804468793281266
Energy: 1.1802220518730426
Energy: 1.2734496951951135
Energy: 1.1761882605464113
Energy: 1.1774032704225181
Energy: 1.1799232806444953
Energy: 1.1850912689974027
Energy: 1.1755986561382907
Energy: 1.2739642345996824
Energy: 1.1815443628841018
Energy: 1.1807695007329624
Energy: 1.1755760580713568
Energy: 1.1844574105051215
Energy: 1.1834226924095788
Energy: 1.2624537939458522
Energy: 1.1477303185350318
Energy: 1.1567506531219336
Energy: 1.1975405486776518
Energy: 1.150560261238361
Energy: 1.119394926565549
Energy: 1.144890464397412
Energy: 1.151955759359391
Energy: 1.144630232651686
Energy: 1.1445265327964242
Energy: 1.1839590572673504
Energy: 1.146975494892696
Energy: 1.145885561901129
Energy: 1.1765489647713492
Energy: 1.176368523326786
Energy: 1.145743795388089
Energy: 1.1815019264850506
Energy: 1.1857986627878565
Energy: 1.2744782156843226
Energy: 1.1367782434204665
Energy: 1.1362585596011952
Energy: 1.1922738060208058
Energy: 1.1368238684109764
Energy: 1.1241609849681997
Energy: 1.1797505077805972
Energy: 1.1821322919628994
Energy: 1.1806204203004456
Energy: 1.1461164440944087
Energy: 1.1839766595017789
Energy: 1.1867366177952348
Energy: 1.178612551048688
Energy: 1.144929868199683
Energy: 1.1450018835034776
Energy: 1.1555885610051007
Energy: 1.1595816510091341
Energy: 1.1436359070047282
Energy: 1.5209053640736045
Energy: 1.168477621119073
Energy: 1.1704188361432601
Energy: 1.1359130894080263
Energy: 1.1680717779034655
Energy: 1.144474604444929
Energy: 1.4320888334879731
Energy: 1.1883152883151482
Energy: 1.1860317702596463
Energy: 1.1877288605627978
Energy: 1.1874525869931554
Energy: 1.1875063158614259
Energy: 1.435082405029166
Energy: 1.187958041436481
Energy: 1.1911477605986664
Energy: 1.1810188673672402
Energy: 1.1872241158617447
Energy: 1.185951540556048
Energy: 1.6725506489438717
Energy: 1.1873375278167213
Energy: 1.18728848564892
Energy: 1.1875199194452468
Energy: 1.18826466222746
Energy: 1.187080377875634
Energy: 1.6921676568760755
Energy: 1.1523503905755397
Energy: 1.165916190899136
Energy: 1.1508710364071093
Energy: 1.1355230959725826
Energy: 1.15214921838205
Energy: 1.6221647645338284
Energy: 1.1553688642281534
Energy: 1.1549158561446748
Energy: 1.179246634040736
Energy: 1.152381684680202
Energy: 1.1374477143662807
Energy: 1.685007546196775
Energy: 1.145525205303421
Energy: 1.1843411138028637
Energy: 1.1781150827222089
Energy: 1.1454943396052901
Energy: 1.181196698829965

minimum gb energy = 1.119394926565549 eV
minimum distance =  2.2668297932051 Angstroms
sigma value = 33


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

Energy: 2.2280151866253237
Energy: 1.1955508843317557
Energy: 1.2620951486692868
Energy: 1.265758087058939
Energy: 1.1958347006144179
Energy: 1.3110355265845912
Energy: 1.6891411752544028
Energy: 1.1854185633553265
Energy: 1.185186867553905
Energy: 1.2415632177152176
Energy: 1.1860907641391532
Energy: 1.1973982903086609
Energy: 1.5071034434810828
Energy: 1.1754920165659113
Energy: 1.1860375705381863
Energy: 1.2417601974202097
Energy: 1.1879820652081166
Energy: 1.1748531510539506
Energy: 1.5018074387918288
Energy: 1.2591009359436012
Energy: 1.1857244180710595
Energy: 1.1957045491877716
Energy: 1.1882473144671957
Energy: 1.1977680122833345
Energy: 1.6161016216035047
Energy: 1.3031217892574993
Energy: 1.2142482215777561
Energy: 1.2269237558768527
Energy: 1.178693312782161
Energy: 1.2997997476250114
Energy: 1.7260504675955595
Energy: 1.2949429297021666
Energy: 1.2956104519250016
Energy: 1.2932075950635986
Energy: 1.2949557683597541
Energy: 1.2978950411361914
Energy: 1.7337576354612017
Energy: 1.285021282510761
Energy: 1.296006905924898
Energy: 1.3073467059678088
Energy: 1.286753608109714
Energy: 1.2928281641835189
Energy: 1.5792799960339683
Energy: 1.243063893490847
Energy: 1.242596563173762
Energy: 1.24385290209155
Energy: 1.2468385251362624
Energy: 1.2424309287563795
Energy: 1.3935693515351126
Energy: 1.244803485753139
Energy: 1.295628340758317
Energy: 1.3037987574143375
Energy: 1.2423861936282197
Energy: 1.296908926405462
Energy: 1.392597948483847
Energy: 1.3019735773683871
Energy: 1.302454711908779
Energy: 1.2504855999775997
Energy: 1.3042351509161514
Energy: 1.293366107926715
Energy: 1.380854229496625
Energy: 1.2017879779980731
Energy: 1.201836718468891
Energy: 1.3270043615996479
Energy: 1.199416774685135
Energy: 1.196866687420834
Energy: 1.2630337587807352
Energy: 1.255986868462879
Energy: 1.2705082874125992
Energy: 1.2545187987663928
Energy: 1.2545312315032415
Energy: 1.2609746215237636
Energy: 1.2843127913053203
Energy: 1.2926114979196333
Energy: 1.2956625778998225
Energy: 1.254632066927469
Energy: 1.3458574934087773
Energy: 1.2587307858609174
Energy: 1.3440520524338857
Energy: 1.1936159791087657
Energy: 1.1950169975035798
Energy: 1.318854193374748
Energy: 1.1995638595833054
Energy: 1.1984684837630024
Energy: 1.4177226581597222
Energy: 1.3266214796307698
Energy: 1.3163605033221022
Energy: 1.2711507102110524
Energy: 1.3284270429845924
Energy: 1.2849022881384802
Energy: 1.3783457231275544
Energy: 1.2839986800035863
Energy: 1.2911461011606509
Energy: 1.295028894040389
Energy: 1.3807938469109102
Energy: 1.2939368692772173
Energy: 1.632735903741852
Energy: 1.291938110563897
Energy: 1.2949381873631192
Energy: 1.2762757366605797
Energy: 1.2878809939696971
Energy: 1.2887828082508217
Energy: 1.5607986209777882
Energy: 1.3117421919886902
Energy: 1.3154609205057586
Energy: 1.2422951747218867
Energy: 1.3119323052640017
Energy: 1.2415938868598235
Energy: 1.56330558324374
Energy: 1.2969890943373217
Energy: 1.2960665538747143
Energy: 1.2446745415401068
Energy: 1.2998281005178176
Energy: 1.2922125474779975
Energy: 1.4787302452023265
Energy: 1.2786782683712983
Energy: 1.2781447886801276
Energy: 1.2884494453802422
Energy: 1.2717906808543575
Energy: 1.2833731195318043
Energy: 1.875042610677368
Energy: 1.2241119316178675
Energy: 1.2239273691483126
Energy: 1.2245105084165027
Energy: 1.2246237521657408
Energy: 1.2247485826818567
Energy: 1.4195897397703883
Energy: 1.2255728101218952
Energy: 1.2346012566200755
Energy: 1.2826821837424955
Energy: 1.226407856634459
Energy: 1.2256582218108427
Energy: 1.478093548909181
Energy: 1.2388940435974574
Energy: 1.2399870973192182
Energy: 1.295345988353074
Energy: 1.2249054224786147
Energy: 1.2503570611704606
Energy: 1.8290151267354404
Energy: 1.2503443838334345
Energy: 1.2535091055134706
Energy: 1.1951838189682755
Energy: 1.2287298072675996
Energy: 1.2555570388745458
Energy: 1.4776131153349472
Energy: 1.2626504807187224
Energy: 1.2621133505864026
Energy: 1.3139884280027396
Energy: 1.2623906095910395
Energy: 1.264810194733363
Energy: 1.6765965693200302
Energy: 1.2836191728121071
Energy: 1.2928019748550896
Energy: 1.324290895441091
Energy: 1.2839123157747703
Energy: 1.2782809033576115
Energy: 1.743698000610946
Energy: 1.2947546516221873
Energy: 1.3025007973080345
Energy: 1.2999044953881245
Energy: 1.2931066114073064
Energy: 1.298553747045987
Energy: 1.6012014973080668
Energy: 1.2426698564964447
Energy: 1.2431151696782083
Energy: 1.3119613961442298
Energy: 1.2433291265574375
Energy: 1.313090411090735
Energy: 1.3885154156425712
Energy: 1.242767287322097
Energy: 1.2417063917629463
Energy: 1.3087006230637244
Energy: 1.241409107392141
Energy: 1.2957418505177485
Energy: 1.3662749692302907
Energy: 1.2978016006285078
Energy: 1.2981300674252458
Energy: 1.297211453776666
Energy: 1.3045016098045212
Energy: 1.3001028157832748
Energy: 1.4902426832340885
Energy: 1.1990679604814707
Energy: 1.2019435683130393
Energy: 1.2970198683638234
Energy: 1.1957977040628613
Energy: 1.1967211873963666
Energy: 1.2806100588163503
Energy: 1.2205774476967857
Energy: 1.1980758997341592
Energy: 1.2486771874959464
Energy: 1.2609202214678084
Energy: 1.264099004268558
Energy: 1.2808672919096813
Energy: 1.2882497187885276
Energy: 1.2886858556631344
Energy: 1.2487124673292895
Energy: 1.2970726924463227
Energy: 1.254270739390042
Energy: 1.279928680028792
Energy: 1.1965995057940597
Energy: 1.202764322381351
Energy: 1.2494478163138574
Energy: 1.1977080182348674
Energy: 1.1958080327452247
Energy: 1.3662591394072316
Energy: 1.3155151258595803
Energy: 1.3146891492076702
Energy: 1.3212187415032763
Energy: 1.3307545785517771
Energy: 1.2729729504854372
Energy: 1.3612073953902455
Energy: 1.2913564532861048
Energy: 1.2900078591896929
Energy: 1.2951747633481159
Energy: 1.333071867918971
Energy: 1.2954297797952026
Energy: 1.4292154048424102
Energy: 1.3437436493124346
Energy: 1.1980292762024376
Energy: 1.2275287955695537
Energy: 1.2237722351328075
Energy: 1.338584658132378
Energy: 1.5655053678388875
Energy: 1.3000323611360567
Energy: 1.2248568545167242
Energy: 1.2301001739788218
Energy: 1.2250655746867078
Energy: 1.3128466146481215
Energy: 1.5595258853760465
Energy: 1.2174119075617023
Energy: 1.226493435167922
Energy: 1.2432477942875941
Energy: 1.2241485103792584
Energy: 1.2417772712427326
Energy: 1.6091311000992656
Energy: 1.2264372793366825
Energy: 1.230336018446254
Energy: 1.2399449760216608
Energy: 1.227033815663644
Energy: 1.2265822270123248
Energy: 1.5641923134834546
Energy: 1.186634964684722
Energy: 1.1631119126865765
Energy: 1.1648354884368333
Energy: 1.1866786378515597
Energy: 1.2037233112032877

minimum gb energy = 1.1631119126865765 eV
minimum distance =  2.22861247287832 Angstroms
sigma value = 51


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

Energy: 1.7967154693312022
Energy: 1.183944136860195
Energy: 1.1896299371104524
Energy: 1.2253320184885677
Energy: 1.184540681253165
Energy: 1.236786125545976
Energy: 1.511201341063591
Energy: 1.1849185307809968
Energy: 1.1846319188369014
Energy: 1.2530061001192168
Energy: 1.1851967747742853
Energy: 1.1846972464828327
Energy: 1.5234946922796817
Energy: 1.18426225034808
Energy: 1.184392892138675
Energy: 1.2025666700721116
Energy: 1.1843008542202869
Energy: 1.1842464049737829
Energy: 1.6370003182160684
Energy: 1.1843577114708517
Energy: 1.185542166426492
Energy: 1.1948620699009063
Energy: 1.1836601892104164
Energy: 1.1935091130354283
Energy: 1.5104905559888793
Energy: 1.2406308925528915
Energy: 1.242317473893012
Energy: 1.252316810585692
Energy: 1.2382463720157122
Energy: 1.241200457585325
Energy: 1.3862929849447962
Energy: 1.240732425373691
Energy: 1.2407864470150822
Energy: 1.2397042461559067
Energy: 1.2402146710161437
Energy: 1.2400260376002894
Energy: 1.3856040821755442
Energy: 1.2534596812207024
Energy: 1.2410423459329214
Energy: 1.239278114604933
Energy: 1.2533865693122523
Energy: 1.2410854576890864
Energy: 1.3845178960357887
Energy: 1.162957126202898
Energy: 1.1629151499218322
Energy: 1.1846156342071992
Energy: 1.1540967182159323
Energy: 1.1627584894481975
Energy: 1.1849067072464385
Energy: 1.1627639043510787
Energy: 1.1628099652504438
Energy: 1.1849773783829978
Energy: 1.1646452482729361
Energy: 1.184786752668095
Energy: 1.1857847302191236
Energy: 1.1857483763095904
Energy: 1.1884115052760469
Energy: 1.1856689758541625
Energy: 1.253280168724051
Energy: 1.185108048924303
Energy: 1.2614917177939353
Energy: 1.182619856491396
Energy: 1.1827155077472042
Energy: 1.2614358647276125
Energy: 1.1955600735909933
Energy: 1.1828957934363158
Energy: 1.2246806452146546
Energy: 1.1851286678173985
Energy: 1.184212380705415
Energy: 1.185024036911898
Energy: 1.2371905164916703
Energy: 1.1858170444291944
Energy: 1.2233985581359639
Energy: 1.2020754881204245
Energy: 1.1978844736994654
Energy: 1.1964129456130017
Energy: 1.2133611167952791
Energy: 1.1975761614510658
Energy: 1.2248089589200826
Energy: 1.20183436050282
Energy: 1.2012095750116452
Energy: 1.1850171280921675
Energy: 1.2018186945814682
Energy: 1.2010295329724805
Energy: 1.4831961728749785
Energy: 1.202710430553687
Energy: 1.201437453015964
Energy: 1.228151020191679
Energy: 1.202083205228212
Energy: 1.2009631648854773
Energy: 1.4824566270164965
Energy: 1.2015044062874756
Energy: 1.201440264442681
Energy: 1.229302552901637
Energy: 1.20149847405511
Energy: 1.2273125338611368
Energy: 1.5103912459654534
Energy: 1.2030317240957669
Energy: 1.2020586107214077
Energy: 1.2376915532717068
Energy: 1.2031388701536447
Energy: 1.201968534216772
Energy: 1.785309414035908
Energy: 1.1852466329693871
Energy: 1.1953590857071277
Energy: 1.1536878489147744
Energy: 1.1847818345262415
Energy: 1.1954126117256636

minimum gb energy = 1.1536878489147744 eV
minimum distance =  2.3017439436787 Angstroms
sigma value = 19


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

Energy: 1.747298876413746
Energy: 1.1648292852368543
Energy: 1.1307180272122885
Energy: 1.2869996545407811
Energy: 1.1454790886757702
Energy: 1.2935286373344592
Energy: 1.4449390637687045
Energy: 1.158980535669386
Energy: 1.1585078077159634
Energy: 1.192914911829655
Energy: 1.1597379479390448
Energy: 1.158720554056766
Energy: 1.3047546791127826
Energy: 1.1593048720844754
Energy: 1.1841677777076995
Energy: 1.2517868423190779
Energy: 1.181353816328327
Energy: 1.1824789130106723
Energy: 1.4361894190922186
Energy: 1.291129883107197
Energy: 1.185273505172637
Energy: 1.2624733374005646
Energy: 1.2800353650492824
Energy: 1.2863296797354369
Energy: 1.2634457926901688
Energy: 1.1829246112781415
Energy: 1.182987144371939
Energy: 1.2278060357763618
Energy: 1.2654470615820215
Energy: 1.283564950087724
Energy: 1.319183692465877
Energy: 1.205737960783169
Energy: 1.319849827766533
Energy: 1.3173097061965031
Energy: 1.2054187209484701
Energy: 1.3168465000857412
Energy: 1.3445001428956718
Energy: 1.2521535319592896
Energy: 1.2542249870202127
Energy: 1.3188056600434628
Energy: 1.2535993166463644
Energy: 1.3040606293418853
Energy: 1.4017297089194878
Energy: 1.143323683153027
Energy: 1.1427868603403502
Energy: 1.390107325946548
Energy: 1.0647506299380238
Energy: 1.0640464934003775
Energy: 1.26792418890556
Energy: 1.1435686836108037
Energy: 1.1428938485888394
Energy: 1.2690401315347384
Energy: 1.0651048219306651
Energy: 1.0644486294181288
Energy: 1.2676715355325274
Energy: 1.270210265322564
Energy: 1.2708048419964657
Energy: 1.2678459624956864
Energy: 1.3143083916870915
Energy: 1.2856661012697779
Energy: 1.2956774059910923
Energy: 1.2633904118326622
Energy: 1.262449995492697
Energy: 1.2864678161351821
Energy: 1.2622822185093217
Energy: 1.3001140497332
Energy: 1.3836632892983562
Energy: 1.3226580700044737
Energy: 1.2983288984911527
Energy: 1.3043862495373835
Energy: 1.3611086382061899
Energy: 1.2969479809402258
Energy: 1.204599507591741
Energy: 1.4230560608102358
Energy: 1.413491841597392
Energy: 1.2074177436088325
Energy: 1.421650843927617
Energy: 1.423974430232495
Energy: 1.4013143229684821
Energy: 1.4079724405613943
Energy: 1.4081194462089597
Energy: 1.3758731831631743
Energy: 1.4016317955981572
Energy: 1.4042126185835782
Energy: 1.0650690829497338
Energy: 1.3861754711835228
Energy: 1.380813481466043
Energy: 1.0649798546255016
Energy: 1.3872318633497194
Energy: 1.0642428020041064
Energy: 1.5316172671981132
Energy: 1.2886965542354876
Energy: 1.0640449424790979
Energy: 1.0656420210465694
Energy: 1.4248484010115992
Energy: 1.0642531082271585
Energy: 1.3759863297795056
Energy: 1.3876231688940515
Energy: 1.3871927117314664
Energy: 1.3811047930174538
Energy: 1.386964681663899
Energy: 1.3874074661348257
Energy: 1.4330238726257805
Energy: 1.3931363680298157
Energy: 1.3871728181037033
Energy: 1.2686126142891847
Energy: 1.3925864451778514
Energy: 1.3874657121087182
Energy: 1.4328251885610366
Energy: 1.2777944944178787
Energy: 1.3276671542992586
Energy: 1.281157973424718
Energy: 1.273232136771111
Energy: 1.3274855490714785
Energy: 1.6751644534854409
Energy: 1.2053429037172887
Energy: 1.3248858289347112
Energy: 1.4237011473623569
Energy: 1.2057308885681044
Energy: 1.422465918464071
Energy: 1.3050634588115113
Energy: 1.2858993866853468
Energy: 1.3118603268845281
Energy: 1.332650710429022
Energy: 1.290960246600665
Energy: 1.3329873707974176
Energy: 1.3317861891046796
Energy: 1.2948921036331582
Energy: 1.3051880570292005
Energy: 1.3057972284579489
Energy: 1.317068661326555
Energy: 1.3053422783111932
Energy: 1.315929645712801
Energy: 1.0646677324016514
Energy: 1.0643003850658477
Energy: 1.3649440226979048
Energy: 1.1427292147296675
Energy: 1.1436145355988863
Energy: 1.2855246749888487
Energy: 1.2923642617560074
Energy: 1.2717776855635068
Energy: 1.2841866022855772
Energy: 1.206238388180569
Energy: 1.284705904843863
Energy: 1.2832087760673982
Energy: 1.3139015807033079
Energy: 1.293482450399931
Energy: 1.2833156982300862
Energy: 1.3058970249282995
Energy: 1.2862622323165147
Energy: 1.432081506658938
Energy: 1.2625679719383949
Energy: 1.2806614463343253
Energy: 1.1660383548866786
Energy: 1.2625010626844195
Energy: 1.1736336935571252
Energy: 1.3062650542638339
Energy: 1.3248715985508834
Energy: 1.1864112483845033
Energy: 1.1586058219600144
Energy: 1.1858445091941365
Energy: 1.184711622649937
Energy: 1.2050543259828823
Energy: 1.2069903161043987
Energy: 1.1862172728820826
Energy: 1.2051579528634822
Energy: 1.1861376264258834
Energy: 1.2337302727786816
Energy: 1.263345271421367
Energy: 1.2067122696993404
Energy: 1.2104851564959085
Energy: 1.1353115505118536
Energy: 1.2066446671630104
Energy: 1.2082118562247384
Energy: 1.5305835901373825
Energy: 1.159042590385707
Energy: 1.0642911586926975
Energy: 1.0646107978349135
Energy: 1.1583850204088482
Energy: 1.2188705677177627

minimum gb energy = 1.0640449424790979 eV
minimum distance =  2.27384658354479 Angstroms
sigma value = 27


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

Energy: 1.3074604229574538
Energy: 1.1700741305965947
Energy: 1.2186662806008097
Energy: 1.1635618005735477
Energy: 1.169928810976561
Energy: 1.2187543719142477
Energy: 1.3071634487794894
Energy: 1.145983388053222
Energy: 1.1454273634714913
Energy: 1.1068825530817856
Energy: 1.1461723598505784
Energy: 1.145755191482727
Energy: 1.1834905696682
Energy: 1.1433976432818647
Energy: 1.1432288898375076
Energy: 1.1418661831249615
Energy: 1.1432808401325285
Energy: 1.1445326854863653
Energy: 1.1859577777082573
Energy: 1.142102461818076
Energy: 1.14200162728495
Energy: 1.0986825223491747
Energy: 1.1423973008167305
Energy: 1.1052348049731573
Energy: 1.3067600314699246
Energy: 1.0297598735219309
Energy: 1.105636438431187
Energy: 1.145100651606025
Energy: 1.030777029091611
Energy: 1.1059262360462754
Energy: 1.1447970989922
Energy: 1.1693482260461487
Energy: 1.0303815151190394
Energy: 1.1449696363132729
Energy: 1.1654979002099775
Energy: 1.047304872619476
Energy: 1.1464670611067436
Energy: 1.1052411073814694
Energy: 1.1069609480396452
Energy: 1.1465858399610245
Energy: 1.097515712488234
Energy: 1.1449214220936723
Energy: 1.2108814395795051
Energy: 1.1451860738118684
Energy: 1.0733754919508613
Energy: 1.2105797112638785
Energy: 1.1441888264987947
Energy: 1.1126093883328572
Energy: 1.1840844495842833
Energy: 1.0915396990894601
Energy: 1.1280484512849511
Energy: 1.1458215902562774
Energy: 1.0914424864954746
Energy: 1.1047375550520553
Energy: 1.0470109117534359
Energy: 1.102630220762655
Energy: 1.0988374709615139
Energy: 1.1209077794562623
Energy: 1.0926946099390569
Energy: 1.0991903197808461
Energy: 1.1832945716244747
Energy: 1.11617392989533
Energy: 1.1192631483133617
Energy: 1.0916460319089956
Energy: 1.115171283766255
Energy: 1.1171388091850165
Energy: 1.1805040517711214
Energy: 1.12207643904766
Energy: 1.100086991815562
Energy: 1.100497502286234
Energy: 1.1476411793366195
Energy: 1.0995838525335908

minimum gb energy = 1.0297598735219309 eV
minimum distance =  2.29708803191964 Angstroms
sigma value = 9


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

Energy: 2.117667745008631
Energy: 1.246662250184068
Energy: 0.94950928763924
Energy: 1.0490690248630739
Energy: 1.2473074828879516
Energy: 1.0454560730298255
Energy: 1.0256917587204128
Energy: 1.0136705069377057
Energy: 1.0142383251828846
Energy: 0.9970594676290039
Energy: 1.0160522569194472
Energy: 1.062747392575969
Energy: 1.0264073483908038
Energy: 1.008782039991694
Energy: 1.0068564947906815
Energy: 1.0355631798219598
Energy: 1.0140954054283309
Energy: 0.9909128599615981
Energy: 1.0258896018016783
Energy: 1.0421821905990973
Energy: 1.0129294030982408
Energy: 1.0040049456712066
Energy: 1.0919009045169028
Energy: 0.9897020055960235
Energy: 1.0250874739573614
Energy: 1.0675926421724617
Energy: 1.0248507761443262
Energy: 1.0704708991625203
Energy: 1.0680704834986654
Energy: 0.9983988352104648
Energy: 1.0701259981043902
Energy: 0.97672581312657
Energy: 1.018425290820314
Energy: 1.070090575112654
Energy: 0.9813600192866718
Energy: 1.0691931314411875
Energy: 1.0689091435046323
Energy: 1.0145649788234758
Energy: 1.0120796862734285
Energy: 1.0703097947818618
Energy: 1.0742661416269603
Energy: 1.0711728385144477
Energy: 1.089159080156545
Energy: 1.0089162893577566
Energy: 1.0903735124833618
Energy: 1.088998525200147
Energy: 1.0013584774663802
Energy: 1.091524601728223
Energy: 1.1813088809168366
Energy: 1.0729381774591058
Energy: 1.0110888445234767
Energy: 1.0909256113001695
Energy: 1.073046725173368
Energy: 0.9972782146154597
Energy: 0.949115639876657
Energy: 1.11128504442327
Energy: 1.0664361287450583
Energy: 0.9803888243597154
Energy: 1.0894915446861844
Energy: 1.0851947326644413
Energy: 0.9496253805706778
Energy: 1.0687773434132992
Energy: 1.0682192049412127
Energy: 1.0391981098275258
Energy: 1.0686224924942203
Energy: 1.070298273566118
Energy: 1.1808977274598915
Energy: 1.0702266510848242
Energy: 1.0702118810623549
Energy: 1.0240538827435555
Energy: 1.0703223708866068
Energy: 1.0216837293015495
Energy: 1.33474738095275
Energy: 1.0750935493600686
Energy: 1.0583531647183293
Energy: 1.0253305868696632
Energy: 1.1522205441025837
Energy: 1.0091970200710179
Energy: 1.181262295533842
Energy: 1.0701246689190682
Energy: 0.982196486320056
Energy: 1.061117059283929
Energy: 1.0707380455866917
Energy: 1.0005304127182906
Energy: 1.0150029138326542
Energy: 1.0158355302682027
Energy: 1.0199141473332434
Energy: 1.0153716923513352
Energy: 1.0166798105975547
Energy: 1.0621961842588283
Energy: 1.0146643886821198
Energy: 0.9823476778367966
Energy: 0.9943971977668334
Energy: 1.0160288291897308
Energy: 1.040915956719746
Energy: 1.0140365255247226
Energy: 1.0132615033193602
Energy: 1.00939434791248
Energy: 0.9938132821112067
Energy: 1.0134651229200404
Energy: 1.0202497842592346
Energy: 1.0637279687040586
Energy: 1.1255198255594987
Energy: 1.0323488628820632
Energy: 1.0243762505357794
Energy: 1.0148642174540439
Energy: 1.0341872136232961
Energy: 1.06943682415139
Energy: 1.027496521563148
Energy: 0.9927296974135885
Energy: 0.9887207810047977
Energy: 1.013734592945122
Energy: 1.040048281263882
Energy: 0.9924370639524177
Energy: 1.0247747554409699
Energy: 0.9893742422014521
Energy: 0.9953608187657825
Energy: 0.9875744476429523
Energy: 0.9882041104948402
Energy: 0.9808622390767519
Energy: 1.024994138421043
Energy: 0.9876538747331709
Energy: 0.9825146602524334
Energy: 1.0596046404608979
Energy: 0.9880128980638562
Energy: 0.9891090895138814
Energy: 1.0810366308520514
Energy: 1.015660553511662
Energy: 1.0653389350479179
Energy: 1.06670053169115
Energy: 1.015056059383001
Energy: 1.0289847187651793
Energy: 1.078828762592616
Energy: 1.0135644145037424
Energy: 1.0108538170386914
Energy: 1.0665793941458401
Energy: 1.013236570559223
Energy: 0.9589220797102107
Energy: 1.0265643578305748
Energy: 1.014983132989872
Energy: 1.0161663979619724
Energy: 1.05537735382143
Energy: 1.013855360412043
Energy: 0.990417321974803
Energy: 1.3453646716414667
Energy: 1.0152128771891271
Energy: 1.0626486778331508
Energy: 1.0046282006586578
Energy: 1.0144564184531535
Energy: 1.059343016696026
Energy: 1.0250770865726875
Energy: 1.0142316041642023
Energy: 0.9907329113958784
Energy: 1.0711066915446992
Energy: 1.013500924778608
Energy: 1.0013814106324883
Energy: 1.0111666665396113
Energy: 0.9302263040176797
Energy: 1.0443720790187183
Energy: 1.0113544372027623
Energy: 0.9295316548865689
Energy: 0.9840160315431667
Energy: 1.0716346878128782
Energy: 1.0123318795045628
Energy: 0.995946201416557
Energy: 1.0714014200797586
Energy: 1.0249516571492707
Energy: 1.0700435019845262
Energy: 1.0709116188890355
Energy: 1.048609078129762
Energy: 1.000176607696461
Energy: 1.0703128866366085
Energy: 1.072252427739937
Energy: 1.0705779907828832
Energy: 1.0307621499015907
Energy: 1.0105472108835238
Energy: 1.020260377993986
Energy: 1.0594006096649446
Energy: 1.0016008631156532
Energy: 1.0900200208850055
Energy: 0.9500204704895217
Energy: 1.0690888426599718
Energy: 1.0087245404598058
Energy: 1.0560546887055164
Energy: 1.0722873851574413
Energy: 1.0107293569194735
Energy: 0.9559065237137594
Energy: 1.0701444149237396
Energy: 1.0701780507257463
Energy: 0.9803162874478177
Energy: 1.089255586915819
Energy: 1.0945802530192492
Energy: 1.1799150708008252
Energy: 1.0699498942281644
Energy: 1.0701068843710135
Energy: 1.0736894777547132
Energy: 1.0711765815160659
Energy: 1.0699054516532576
Energy: 1.019873104832626
Energy: 1.0694609702158555
Energy: 1.0694385978804963
Energy: 1.0357325611047616
Energy: 1.0695842607215695
Energy: 1.0137030247918823
Energy: 1.0156559649121146
Energy: 1.0702864684207374
Energy: 1.070648006131748
Energy: 1.0539540257303335
Energy: 1.0707059903114478
Energy: 1.010528969750177
Energy: 1.024741300059873
Energy: 1.020697250514243
Energy: 0.9935295098178257
Energy: 1.0325579514552545
Energy: 1.0220121229243133
Energy: 1.027766915561237
Energy: 1.035585065034535
Energy: 1.0414853424892885
Energy: 0.9903643257226382
Energy: 1.0374457124999756
Energy: 1.0536552611120855
Energy: 1.0129851161347925
Energy: 1.0136306562637136
Energy: 0.9940234658612768
Energy: 0.9949572968884006
Energy: 1.013582543029525
Energy: 0.9937211625058536
Energy: 1.0085556720113829
Energy: 1.08032409766565
Energy: 0.9972389439638412
Energy: 1.0019425943988691
Energy: 1.0803678792525828
Energy: 0.9961886822033661
Energy: 1.1684698169156438
Energy: 1.0255861683070218
Energy: 0.9871609124726665
Energy: 0.9916809587772755
Energy: 1.01331170978725
Energy: 0.987098037117981
Energy: 0.9965661572600076
Energy: 1.023887918896499
Energy: 0.9961400043735349
Energy: 0.9813911953639078
Energy: 0.9847628474991079
Energy: 0.9917174448471067
Energy: 0.9906119423080566
Energy: 1.0243390670593515
Energy: 0.9908242500210844
Energy: 0.9950910460670999
Energy: 1.0106958531277959
Energy: 0.9894077663685202
Energy: 0.9790519567423284
Energy: 1.0788875130920514
Energy: 1.013564743371918
Energy: 1.010095081702552
Energy: 1.066648412664999
Energy: 1.0135993173743032
Energy: 0.9521098529380687

minimum gb energy = 0.9295316548865689 eV
minimum distance =  2.26927222688159 Angstroms
sigma value = 57


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

Energy: 0.8386844990806946
Energy: 0.9163075557761549
Energy: 0.8285508020993534
Energy: 0.8306719523789996
Energy: 0.9165080335912988
Energy: 0.8340375409357306
Energy: 0.9839055511189256
Energy: 0.9246120374300292
Energy: 0.9368178330267771
Energy: 0.9220069149475871
Energy: 0.9695852783047905
Energy: 0.9121849208086299
Energy: 1.1087859864931233
Energy: 0.9482728740432521
Energy: 0.9304977851941316
Energy: 1.0039399627009093
Energy: 0.9485731033426464
Energy: 0.9312490125489151
Energy: 1.1082506563903562
Energy: 0.9480658164718109
Energy: 0.9309745192865433
Energy: 0.9434502089997879
Energy: 0.9465417340073681
Energy: 0.9619775068872206
Energy: 0.9829922112189335
Energy: 0.569005384549392
Energy: 0.5699219146133808
Energy: 0.9464332902063244
Energy: 0.5670814455303029
Energy: 0.9346352101974756
Energy: 1.0708578384571663
Energy: 0.5680857234042932
Energy: 0.5694731450508689
Energy: 0.951539017880027
Energy: 0.5670824582862675
Energy: 0.5689257028975294
Energy: 0.9981474107060079
Energy: 0.9115724298565967
Energy: 0.912464198433539
Energy: 0.9397586800581683
Energy: 0.9378328535082795
Energy: 0.9135687562292476
Energy: 1.124170209457439
Energy: 1.0873603209768452
Energy: 1.0853431959791149
Energy: 0.9452395350622147
Energy: 1.079948481088203
Energy: 1.0855631748863284
Energy: 1.2647427006793046
Energy: 0.9382426298205321
Energy: 0.8963365611250528
Energy: 0.8968083570307515
Energy: 0.9601776111795273
Energy: 0.8958601335101185
Energy: 0.5664942786165722
Energy: 0.9296985250938676
Energy: 0.5686240743287669
Energy: 0.5667942616044828
Energy: 1.0286758469683992
Energy: 0.6012676495387235
Energy: 0.5664886153752845
Energy: 1.0167352870144566
Energy: 1.015923580003859
Energy: 0.5667369217763223
Energy: 1.017991011687888
Energy: 0.5684804640766128
Energy: 1.014553799664639
Energy: 0.9275676617326396
Energy: 0.9252845202584518
Energy: 0.8954092614723407
Energy: 0.9360603728775474
Energy: 0.9253504030100295
Energy: 1.0151545139576528
Energy: 0.942727397662702
Energy: 0.9117752551178071
Energy: 1.0818942729103669
Energy: 0.9441326213207789
Energy: 0.9125155046369604
Energy: 1.0145107993367999
Energy: 0.9252546262761433
Energy: 0.9109596026358316
Energy: 0.9337698635938649
Energy: 0.9399677046001611
Energy: 0.9112372366469196
Energy: 1.111713951540313
Energy: 0.5676336228308813
Energy: 0.568236508716561
Energy: 0.9353657736366245
Energy: 0.5720711237768082
Energy: 0.5681770474798834
Energy: 0.975196660655608
Energy: 0.9114067293310276
Energy: 0.9126495362203547
Energy: 0.9334001741707246
Energy: 0.5676044879828135
Energy: 0.9109880740549612
Energy: 1.074478607251949
Energy: 0.9318024519329574
Energy: 0.9341403039345418
Energy: 0.9345034274354254
Energy: 0.9299912374315057
Energy: 0.9606191199974701
Energy: 0.9832958527008857
Energy: 0.9299713243329065
Energy: 0.9307642772523479
Energy: 0.9687948374960673
Energy: 0.9652441654504209
Energy: 0.9601811016417008
Energy: 0.8400554842041352
Energy: 0.9367498919628332
Energy: 0.938179509751259
Energy: 0.8318290989023648
Energy: 0.9532838308034655
Energy: 0.9378795253202115

minimum gb energy = 0.5664886153752845 eV
minimum distance =  2.28528018691169 Angstroms
sigma value = 11


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

Energy: 1.5039699623325922
Energy: 0.8924007218448058
Energy: 0.8997349097337338
Energy: 1.0763968976125764
Energy: 0.8945978210615081
Energy: 0.9986095307691093
Energy: 0.9010017948612812
Energy: 0.9223420300186754
Energy: 0.9142416386546116
Energy: 0.8919718979199263
Energy: 0.9002775082606532
Energy: 0.9161060986681544
Energy: 0.8964314513027135
Energy: 0.9090690079961531
Energy: 0.9116440391595518
Energy: 0.8986081971410189
Energy: 0.9060368653568057
Energy: 0.9144415158509284
Energy: 0.8965485224502953
Energy: 0.9169512233708904
Energy: 0.919805712469964
Energy: 0.8990069236391344
Energy: 0.8988494226809571
Energy: 0.9117112453585651
Energy: 0.9006385804596064
Energy: 0.9975224387227589
Energy: 0.9941152481747055
Energy: 0.9005781773463816
Energy: 0.9701893694352564
Energy: 0.9677206553544194
Energy: 1.153167484859266
Energy: 0.9631241970402056
Energy: 0.9530150829653106
Energy: 0.9016525025138359
Energy: 0.8943568275194821
Energy: 0.9934202233234658
Energy: 0.9516568457098062
Energy: 0.9149263451525751
Energy: 0.9156990520721707
Energy: 0.9027086809309128
Energy: 0.8925394397283335
Energy: 0.9108879598318878
Energy: 0.9241331047985043
Energy: 0.989657086386105
Energy: 0.9855747729969815
Energy: 0.929834851396706
Energy: 0.9906658546522655
Energy: 0.9865461000195538
Energy: 1.153146398752931
Energy: 0.9160769703328436
Energy: 0.9672134062364574
Energy: 0.9058614171192755
Energy: 0.9087724044929673
Energy: 0.9658466934739904
Energy: 1.166880848947826
Energy: 0.9505649876744442
Energy: 0.9995027113242695
Energy: 0.8902939421590778
Energy: 0.9100163568870563
Energy: 0.9540564935751698
Energy: 1.2075600364273513
Energy: 0.9474802868403608
Energy: 0.9965800057716087
Energy: 0.8945558411664152
Energy: 0.9516533193837045
Energy: 0.9958333756332095
Energy: 1.058065538125666
Energy: 0.874590480228297
Energy: 0.9093420378113006
Energy: 0.9935166266261992
Energy: 0.8788790607381446
Energy: 0.9156637404431653
Energy: 1.1165976505814663
Energy: 0.8755297492508802
Energy: 1.018667546628214
Energy: 1.1169768293934699
Energy: 0.8780134887306571
Energy: 0.9864874487594854
Energy: 1.017494632399121
Energy: 0.9980460934946035
Energy: 0.9975482624328758
Energy: 0.9597174335659725
Energy: 0.9989822342320217
Energy: 0.9966429854054413
Energy: 1.020045532637855
Energy: 0.9195081128231717
Energy: 1.1865773674795894
Energy: 1.0182017932386351
Energy: 0.917976038096436
Energy: 0.9502081214108441
Energy: 1.4095798584188584
Energy: 0.9993476078580908
Energy: 0.9961414750423396
Energy: 0.9168601926066445
Energy: 0.9686616840295708
Energy: 0.9957219696114554
Energy: 1.3150648538819283
Energy: 0.9457016705278238
Energy: 0.8765731213727149
Energy: 0.8781009053767963
Energy: 1.1932997248134807
Energy: 0.8987673066080992
Energy: 1.4272754959400307
Energy: 0.9452318344880051
Energy: 0.9963539840617504
Energy: 0.9339949331464387
Energy: 0.9215550155819582
Energy: 0.9962438970040964
Energy: 1.2101776771214603
Energy: 0.9089947030401949
Energy: 0.9668400024891568
Energy: 0.9075986324176556
Energy: 0.9890120389390791
Energy: 0.9561512322801567
Energy: 1.1170227919997244
Energy: 0.9936997973574581
Energy: 0.9868028093177217
Energy: 0.9002541294067665
Energy: 1.165601892442699
Energy: 0.9920796586129431
Energy: 1.4099624852041448
Energy: 1.0001127575164885
Energy: 0.9964935664591548
Energy: 0.9167583397334604
Energy: 0.9977859538329341
Energy: 0.9487597183546167
Energy: 0.8916306555451113
Energy: 0.8973990598465924
Energy: 0.8874798514325615
Energy: 0.8944031641577728
Energy: 0.9269002974414244
Energy: 1.0031067423524547
Energy: 0.8982927577482698
Energy: 0.9708555505907702
Energy: 0.9675187023562094
Energy: 0.8940534351846184
Energy: 0.913952566472267
Energy: 0.946650706237025
Energy: 0.9870552635980034
Energy: 0.9115363933536141
Energy: 0.987180042170289
Energy: 0.9883456424957526
Energy: 0.9040547081480663
Energy: 0.9866341909775462
Energy: 0.9903023679380805
Energy: 0.9080552565536301
Energy: 0.9326228515042132
Energy: 0.9592773821164902
Energy: 0.9012683797214458
Energy: 0.9141803161627639
Energy: 1.3761377169936648
Energy: 0.9019759888121528
Energy: 0.9663027080387535
Energy: 0.8820982862646853
Energy: 0.9010016310332039
Energy: 0.9941680474389314

minimum gb energy = 0.874590480228297 eV
minimum distance =  2.29662784878315 Angstroms
sigma value = 41


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

Energy: 1.6525590755025308
Energy: 1.1770641051020572
Energy: 1.0628688752181543
Energy: 1.3039397558414552
Energy: 1.1542705369546111
Energy: 1.3045137938101503
Energy: 0.9737339382800388
Energy: 0.9855266056102133
Energy: 0.9879442334842234
Energy: 0.9739149273249388
Energy: 0.9724994345574719
Energy: 0.9749464481657072
Energy: 0.9689416635837982
Energy: 0.9783530445573719
Energy: 0.9770476952739001
Energy: 0.9701618941516076
Energy: 0.9778535718431117
Energy: 0.9727358231411538
Energy: 0.9684014475580182
Energy: 0.983641767348681
Energy: 0.9793894220132762
Energy: 0.9692625535866433
Energy: 0.978228139173135
Energy: 0.9794191106608844
Energy: 0.9734071995753101
Energy: 0.9830338537888527
Energy: 0.9881743408332057
Energy: 0.973533464348032
Energy: 0.9799601235119892
Energy: 0.9822760162702397
Energy: 1.0598660871315047
Energy: 0.9786806859610444
Energy: 0.9677194194924109
Energy: 0.9735718550356649
Energy: 0.9745554966456067
Energy: 0.9674624034733597
Energy: 1.0540482131872515
Energy: 0.981757851711412
Energy: 0.9857202743957765
Energy: 0.9705241936509921
Energy: 0.9878459004623498
Energy: 0.9844337010279448
Energy: 0.9994087566389471
Energy: 1.1218878177983502
Energy: 1.121933032063303
Energy: 0.9803391224523981
Energy: 1.1216456003222093
Energy: 0.9389972371629277
Energy: 1.3065341722482353
Energy: 0.9854374173167174
Energy: 0.9865387306531801
Energy: 0.9891942577591755
Energy: 0.9863506048500906
Energy: 0.9814427556100953
Energy: 1.3067139620585302
Energy: 1.1184055612858559
Energy: 1.116232075796651
Energy: 0.9654737258354437
Energy: 0.9960889919134341
Energy: 1.1165959718805967
Energy: 1.0508346894676028
Energy: 0.9902232797080337
Energy: 0.9879608654359537
Energy: 0.9666898994166517
Energy: 1.0855691553775488
Energy: 0.9816164235997266
Energy: 1.3083565677615057
Energy: 0.9500326735765029
Energy: 0.9342287945661717
Energy: 0.9988997968598999
Energy: 0.9363452839196341
Energy: 0.9808144512447171
Energy: 1.0850212765108236
Energy: 0.935188256170076
Energy: 0.9340353973974644
Energy: 1.085163042176934
Energy: 0.9327385765137652
Energy: 1.003563022737865
Energy: 1.0774159471703595
Energy: 0.9893446342251803
Energy: 0.9818032801976216
Energy: 0.9801872528187996
Energy: 0.9858722202825411
Energy: 0.9813678693516065
Energy: 1.1217168796131043
Energy: 1.1244026441938757
Energy: 1.1232063351843677
Energy: 1.1228712359374484
Energy: 1.1120094980731592
Energy: 1.1228584493053178
Energy: 0.9715072806656475
Energy: 0.9928668341333811
Energy: 0.9861064855127573
Energy: 0.9879971475426119
Energy: 0.9711120509561537
Energy: 0.9851088999347142
Energy: 1.614957247144805
Energy: 0.9754352966178248
Energy: 0.9459493567256749
Energy: 0.9310883163343857
Energy: 0.9917594855288787
Energy: 0.9889648716359662
Energy: 1.0025670048516317
Energy: 0.990512806559972
Energy: 0.9900819764973294
Energy: 0.9482221409697369
Energy: 0.9733969859557217
Energy: 0.955923783215073
Energy: 0.9685948475732801
Energy: 0.9777573821097586
Energy: 0.9780422144479114
Energy: 0.9696537563926466
Energy: 0.9781342946917179
Energy: 0.9725023232386865
Energy: 0.9693984666137625
Energy: 0.9785023969658909
Energy: 0.97393555332996
Energy: 0.9709123933428233
Energy: 0.9769019677731666
Energy: 0.9767804012249266
Energy: 0.972761127111229
Energy: 0.9795233871174605
Energy: 0.9746026372691946
Energy: 0.9728295803472667
Energy: 0.9839001350316621
Energy: 0.9810563288927966
Energy: 1.2679260792247176
Energy: 0.9770539219873259
Energy: 0.9679144098836421
Energy: 1.182415265639689
Energy: 0.9642666759191939
Energy: 1.1339691233765719
Energy: 1.3063241409296826
Energy: 0.9850517242886931
Energy: 0.9823719632569449
Energy: 0.9716820340451122
Energy: 0.9887175979834611
Energy: 0.9818200600076811
Energy: 0.9992448816100713
Energy: 1.1137529066620584
Energy: 1.112405635543738
Energy: 1.011181137165754
Energy: 1.1238215607071207
Energy: 0.9372477331657948
Energy: 1.053576897599884
Energy: 0.9805569085829551
Energy: 0.9802141406819356
Energy: 0.9934934907941565
Energy: 0.9813327640049997
Energy: 0.9805966726040556
Energy: 1.0512502464577684
Energy: 0.9931627881202725
Energy: 1.0685737723452629
Energy: 0.9670467934647664
Energy: 0.9903211025739329
Energy: 0.9811263623870784
Energy: 1.3058854896895973
Energy: 1.1188015046223
Energy: 1.1159439748898992
Energy: 0.966111603088841
Energy: 1.085704249455652
Energy: 1.1154662897823124
Energy: 1.306071625774767
Energy: 0.9664422988040416
Energy: 0.9986010785919458
Energy: 0.9924735655672808
Energy: 0.9604807999663019
Energy: 0.993949508911821
Energy: 1.0856848549642586
Energy: 1.2763221708404753
Energy: 1.277425394806511
Energy: 1.0863618077775168
Energy: 0.9330697480455235
Energy: 1.2777315119419521
Energy: 1.080012703772929
Energy: 0.9811282485524092
Energy: 1.0684520138425078
Energy: 0.98202036092692
Energy: 0.9810258166565715
Energy: 0.9943795135031388
Energy: 1.1092384310938095
Energy: 0.98009582610284
Energy: 1.1418440480315062
Energy: 1.1092414112990512
Energy: 0.9779083767729866
Energy: 1.1088763286449488
Energy: 0.9692136162475243
Energy: 0.9974602692706805
Energy: 0.9784658144763314
Energy: 0.9706683940206314
Energy: 0.9702392293334369
Energy: 0.9788849352385771
Energy: 1.1049363268636003
Energy: 0.9786447934745617
Energy: 0.9469898291211514
Energy: 0.9331451425226099
Energy: 0.9808575122286444
Energy: 0.9467038741770665

minimum gb energy = 0.9310883163343857 eV
minimum distance =  2.28764079021927 Angstroms
sigma value = 33


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

Energy: 1.168834318842568
Energy: 1.043737429379674
Energy: 1.088309452977247
Energy: 1.1241098066017667
Energy: 1.0885781092495312
Energy: 1.0879388934045493
Energy: 1.0483779401292552
Energy: 1.0502323131254467
Energy: 1.0485042310156634
Energy: 1.0491219388330686
Energy: 1.0462876786385176
Energy: 1.0283011875339805
Energy: 1.0485788128017475
Energy: 1.0307609358316643
Energy: 1.0294076844865399
Energy: 1.0536238179082487
Energy: 1.027938972443384
Energy: 1.0303484338534052
Energy: 1.0432977493858373
Energy: 1.0464582973982046
Energy: 1.0266923147832103
Energy: 1.0453581736518889
Energy: 1.0281505568612215
Energy: 1.0266442666483806
Energy: 1.0472469416257753
Energy: 1.0250336441386823
Energy: 1.0047185399557677
Energy: 1.047110913353191
Energy: 1.05026174127916
Energy: 1.0034973006903267
Energy: 1.0938622143672796
Energy: 1.0246320152560326
Energy: 1.023487012517249
Energy: 1.0479738241208625
Energy: 1.048060429009366
Energy: 1.0250433128114673
Energy: 1.0917902107850472
Energy: 1.0211834997438665
Energy: 1.0304424362568083
Energy: 1.0444660329223603
Energy: 1.0287133891432714
Energy: 1.0267378391515647
Energy: 1.0843353089669483
Energy: 1.0392987868640258
Energy: 1.0084451193436272
Energy: 0.9967458378455093
Energy: 1.0390413979046085
Energy: 0.9991351663222262
Energy: 1.0892722057272393
Energy: 1.003164110742287
Energy: 1.0033982831794503
Energy: 1.095954802302814
Energy: 1.0055449063592106
Energy: 1.0001341701430293
Energy: 1.1601531139426111
Energy: 1.005490363198817
Energy: 1.0306607868477524
Energy: 1.0508834536456269
Energy: 1.0054029676777003
Energy: 1.0294663419582508
Energy: 1.0936181405051872
Energy: 1.0317644520719584
Energy: 1.0288780992241755
Energy: 1.0440464918447667
Energy: 1.029442689661576
Energy: 1.0250861375482327
Energy: 1.092727390204905
Energy: 0.9945093925900068
Energy: 0.9946494813872983
Energy: 1.0477427721312846
Energy: 0.9991004586703894
Energy: 0.9945357884200946
Energy: 1.047595758837905
Energy: 0.9942354923308978
Energy: 0.9949807902069987
Energy: 1.048599088646829
Energy: 1.0014278488518569
Energy: 0.994711290091607
Energy: 1.041026301333832
Energy: 1.030748205276329
Energy: 1.0265341470721459
Energy: 1.0427669662020254
Energy: 1.0674074048238487
Energy: 1.0260089600147282
Energy: 1.0055055075414747
Energy: 1.02977359046854
Energy: 1.027661192499508
Energy: 1.0291329737116925
Energy: 1.0766932370208144
Energy: 1.0262703162144526
Energy: 1.0470877297395422
Energy: 1.0496647489083122
Energy: 1.0270698818442094
Energy: 1.068695327578468
Energy: 1.0464584930193694
Energy: 1.0267391941320787
Energy: 1.1570896638214472
Energy: 1.0483140706566487
Energy: 1.0275928233680969
Energy: 1.0486382489332189
Energy: 1.0480602984251286
Energy: 1.0281614694869117
Energy: 1.0878230092290004
Energy: 1.0650849107888878
Energy: 1.0028412879689845
Energy: 1.042004369237015
Energy: 1.0465203079115033
Energy: 1.0040526495425461
Energy: 1.042508303687197
Energy: 0.9940448796974578
Energy: 0.9941960685947288
Energy: 1.0134986926111553
Energy: 1.1059876129285093
Energy: 1.0274630801608244
Energy: 1.0053886007079469
Energy: 0.9988196919220196
Energy: 0.9943549564853789
Energy: 1.0053741811928454
Energy: 0.9985611401272174
Energy: 1.0274259055197283
Energy: 1.0045895965564473
Energy: 1.003241799608447
Energy: 1.004090133723778
Energy: 1.005883060280502
Energy: 1.0471251789661729
Energy: 0.9994061149720715
Energy: 1.042018499278347
Energy: 1.0268125039094382
Energy: 1.006284934197241
Energy: 1.0417685558167857
Energy: 1.029585987216674
Energy: 1.030483256310737
Energy: 1.0468326859036783
Energy: 1.0478976999055771
Energy: 1.0290849577061916
Energy: 1.0053565359265924
Energy: 1.064060544154613
Energy: 1.0072083853559461
Energy: 1.0853035691233401
Energy: 1.101803564212238
Energy: 1.0144703171756668
Energy: 0.9950626365629021
Energy: 1.1142491677514967
Energy: 1.034562864556437
Energy: 1.085754003207807
Energy: 1.0733583367525998
Energy: 1.0292007044120965
Energy: 1.0155003251872239
Energy: 1.0474831427181606
Energy: 1.0321470683524703
Energy: 1.0441353182285407
Energy: 1.0299218651769873
Energy: 1.027814550443787
Energy: 1.0473248192829254
Energy: 1.0493052381539452
Energy: 1.0282621837302537
Energy: 1.047469458346247
Energy: 1.0284315431622926
Energy: 1.025634369065323
Energy: 1.050510283876176
Energy: 1.0471400560151682
Energy: 1.0277068078266594
Energy: 1.0458414313596442
Energy: 1.0048088673074433
Energy: 1.0045524150008915
Energy: 1.046044384376265
Energy: 1.0453273332084867
Energy: 1.033384386133285
Energy: 1.094853756200578
Energy: 1.0256763452426907
Energy: 1.0260198994390828
Energy: 1.0489141772986188
Energy: 1.0282046881099083
Energy: 1.028538013614136
Energy: 1.0892940064246543
Energy: 1.0209127758239194
Energy: 1.0050449796870247
Energy: 1.046375040292755
Energy: 1.0289340218125416
Energy: 1.0287602763914823
Energy: 1.167216198637449
Energy: 1.0134419462047684
Energy: 1.009914288501625
Energy: 0.9960042424669674
Energy: 1.0424121686810444
Energy: 1.0078986007288433
Energy: 1.0918152891890396
Energy: 1.0213249984474233
Energy: 0.9996795993831786
Energy: 1.0640616191489536
Energy: 1.00733483081336
Energy: 1.004382944973744
Energy: 1.1645195313501044
Energy: 1.0025965560667573
Energy: 1.0315754361324954
Energy: 1.0495434895783227
Energy: 1.0062713977835587
Energy: 1.026746903181834
Energy: 1.0945219645759487
Energy: 1.0217840807403347
Energy: 1.0307239379823132
Energy: 1.0473680030964465
Energy: 1.0145122266631303
Energy: 1.0261672370446893
Energy: 1.0927754664695546
Energy: 0.9947088829704915
Energy: 0.9945075794500781
Energy: 1.0486424118499935
Energy: 0.9992587677466165
Energy: 0.9998476296919937
Energy: 1.0476697751170256
Energy: 0.9946098359175901
Energy: 0.9952631113909343
Energy: 1.048315436567312
Energy: 0.9945893344494916
Energy: 1.0358681822573594
Energy: 1.0424447212199324
Energy: 1.0472014443280693
Energy: 1.0273414363131803
Energy: 1.043917717996954
Energy: 1.0502419635171676
Energy: 1.0274522862364142
Energy: 1.0328211404837424
Energy: 1.0273105772522215
Energy: 1.0268548440282856
Energy: 1.013771045288749
Energy: 1.0284221643779419
Energy: 1.0263341544338769
Energy: 1.0435359248248004
Energy: 1.048859838214567
Energy: 1.026301341888236
Energy: 1.0495016278810108
Energy: 1.0447664295792
Energy: 1.0255500048287247
Energy: 1.156941521598396
Energy: 1.0483829404301184
Energy: 1.030149617360211
Energy: 1.0415789277230891
Energy: 1.0477107927689322
Energy: 1.02675011213748
Energy: 1.1586175997285575
Energy: 1.047112666791748
Energy: 1.050769545283804
Energy: 1.0432379481051375
Energy: 1.047583160634059
Energy: 1.0044765584835782
Energy: 1.040983651703687
Energy: 0.9969310879574729
Energy: 0.9944721292906906
Energy: 1.012381042349488
Energy: 1.0948195247753434
Energy: 1.027356724340851
Energy: 1.0060711568451581
Energy: 0.9946677460963491
Energy: 0.9942815604476776
Energy: 1.0062508513539612
Energy: 0.9979426493135468
Energy: 0.9946273847102061
Energy: 1.002651068647242
Energy: 1.004234970920848
Energy: 1.0000052811328983
Energy: 1.0039550788945912
Energy: 1.0074715347568108
Energy: 1.0201862297561604
Energy: 1.040287223903226
Energy: 1.0070593721433403
Energy: 1.0215862679743706
Energy: 1.0402909295210547
Energy: 1.0283394317462689
Energy: 1.0440984081708282
Energy: 1.0452148281388605
Energy: 1.0270284007422086
Energy: 1.026511970259683
Energy: 1.044134632282675
Energy: 1.0468834729604113
Energy: 1.0281805199023633
Energy: 1.2245847755186114
Energy: 1.0486718445213665
Energy: 1.0154061257777072
Energy: 1.0025905710677934
Energy: 1.0519919460229818
Energy: 0.9939346793381815

minimum gb energy = 0.9939346793381815 eV
minimum distance =  2.29092104888731 Angstroms
sigma value = 67


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

Energy: 1.3099380386478983
Energy: 1.1517357124750849
Energy: 1.0775556301407305
Energy: 1.0772595814208066
Energy: 1.1508216757972864
Energy: 1.0777322141660188
Energy: 1.1151423766685458
Energy: 1.083009480593542
Energy: 1.0834006258849165
Energy: 1.1163298749723627
Energy: 1.0852162606938252
Energy: 1.081926645645315
Energy: 1.1171677450993094
Energy: 1.0505532004242282
Energy: 1.0845116546544653
Energy: 1.0853820239517415
Energy: 1.0494898682546432
Energy: 1.08407472913437
Energy: 1.1170614992974734
Energy: 1.0836259389063945
Energy: 1.0830450952822996
Energy: 1.1171546403120909
Energy: 1.0835455110063932
Energy: 1.0827030056087008
Energy: 1.1150655789830148
Energy: 1.0845418542020135
Energy: 1.0845067719127224
Energy: 1.1153054112398741
Energy: 1.0839745552097404
Energy: 1.0858103475675562
Energy: 1.1188817939320457
Energy: 1.0886107942859178
Energy: 1.0851137458022373
Energy: 1.11854701588738
Energy: 1.0881021008322227
Energy: 1.1179972829039284
Energy: 1.184590780743001
Energy: 1.0837481302768868
Energy: 1.0843814913517784
Energy: 1.179183753545794
Energy: 1.086426159808593
Energy: 1.0836908782784571

minimum gb energy = 1.0494898682546432 eV
minimum distance =  2.3169448973192 Angstroms
sigma value = 3


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

Energy: 1.6525314239152078
Energy: 1.329306176970454
Energy: 1.2211487781177328
Energy: 1.2669087395617162
Energy: 1.3543203414951115
Energy: 1.2209716677944213
Energy: 1.2219374283941844
Energy: 1.2021523635119362
Energy: 1.201380994727579
Energy: 1.200985195363516
Energy: 1.2527391880657541
Energy: 1.18586204375809
Energy: 1.2177126595267453
Energy: 1.1893134188855121
Energy: 1.1889332552785001
Energy: 1.2184140837502997
Energy: 1.1907326542595937
Energy: 1.2294395994545269
Energy: 1.2199946950632112
Energy: 1.2016971272308004
Energy: 1.2080548370096444
Energy: 1.222009752527238
Energy: 1.1913854828074684
Energy: 1.2086143995330356
Energy: 1.1799520338628304
Energy: 1.2037904962706234
Energy: 1.2016672176609868
Energy: 1.18062448819265
Energy: 1.203979589710107
Energy: 1.2086367551042896
Energy: 1.1743791089696973
Energy: 1.194823107753832
Energy: 1.194920791734792
Energy: 1.1989321798316896
Energy: 1.2031573714565111
Energy: 1.2100900629485163
Energy: 1.1778517859121809
Energy: 1.2489580396851754
Energy: 1.2169784415793041
Energy: 1.1627122048710683
Energy: 1.242550697343967
Energy: 1.2038364805212645
Energy: 1.563944070731786
Energy: 1.2413051934780144
Energy: 1.2473659651847706
Energy: 1.2193723291346281
Energy: 1.2798344338729313
Energy: 1.2436210210612324
Energy: 1.1750659304501974
Energy: 1.1944940907673562
Energy: 1.2018816151785368
Energy: 1.1638985365917578
Energy: 1.2369292987351834
Energy: 1.224695435381103
Energy: 1.2792531651458403
Energy: 1.243880981318156
Energy: 1.243771527663731
Energy: 1.243997801293219
Energy: 1.230690817339053
Energy: 1.2046024648366043
Energy: 1.239992220974747
Energy: 1.2078296564820306
Energy: 1.2079606447015436
Energy: 1.2448739598528007
Energy: 1.2159440211191646
Energy: 1.190166560135073
Energy: 1.2414006982227932
Energy: 1.2079178028484188
Energy: 1.2060277838552125
Energy: 1.2197280096185268
Energy: 1.1922395632944298
Energy: 1.2092857224084892
Energy: 1.1887256863064322
Energy: 1.2064062350239477
Energy: 1.2085980300921533
Energy: 1.191120881200562
Energy: 1.1756705345061849
Energy: 1.2020735529133677
Energy: 1.1724853412827574
Energy: 1.1826987446081194
Energy: 1.1769927508363598
Energy: 1.1969904440680779
Energy: 1.1792199843930729
Energy: 1.1780970652888714
Energy: 1.239401105334263
Energy: 1.2188966700697659
Energy: 1.277820240642923
Energy: 1.1956955299426226
Energy: 1.2197326206261563
Energy: 1.2183929443884316
Energy: 1.3534494805300468
Energy: 1.2225975702388612
Energy: 1.2217593614086022
Energy: 1.3546268784297537
Energy: 1.2044031537902835
Energy: 1.2208569442589705
Energy: 1.3289854288786342
Energy: 1.2167929724580169
Energy: 1.2326396696034947
Energy: 1.3296831827594453
Energy: 1.2089527903330035
Energy: 1.2448602051166087
Energy: 1.2867207920695085
Energy: 1.2159811198523103
Energy: 1.236114839501639
Energy: 1.2829469534582565
Energy: 1.2142443147468756
Energy: 1.2195892645652218
Energy: 1.4019901059962385
Energy: 1.2360249642768704
Energy: 1.217974437729495
Energy: 1.2306626694182492
Energy: 1.2114191441661506
Energy: 1.2259426465705854
Energy: 1.285194039017463
Energy: 1.2293391900315311
Energy: 1.2392074905392454
Energy: 1.2275554639426451
Energy: 1.2248719810307909
Energy: 1.2259250530312453
Energy: 1.1831369483235885
Energy: 1.1910134676829807
Energy: 1.1938270097078094
Energy: 1.1923888167502397
Energy: 1.180718730519313
Energy: 1.1936070317699228
Energy: 1.1757173539301216
Energy: 1.1947138008412355
Energy: 1.2047867479119083
Energy: 1.1951815767677505
Energy: 1.1960049846079512
Energy: 1.2049714103029296
Energy: 1.1754051515324673
Energy: 1.1964128833058334
Energy: 1.1931919631658616
Energy: 1.1776289660089698
Energy: 1.1811220237362396
Energy: 1.1849037042455428
Energy: 1.2248067440013957
Energy: 1.218055760345902
Energy: 1.2176834819007676
Energy: 1.2244710187466377
Energy: 1.2188116758313403
Energy: 1.228574604921543
Energy: 1.2196264826602752
Energy: 1.2216911408140096
Energy: 1.208359435543161
Energy: 1.2070460519111699
Energy: 1.2424222386746897
Energy: 1.2092836281933996
Energy: 1.4029042253391446
Energy: 1.2521773935712441
Energy: 1.203922256858787
Energy: 1.1896803097318227
Energy: 1.3076289324415704
Energy: 1.2147462853897157
Energy: 1.1675556272396597
Energy: 1.2516203442662834
Energy: 1.2666181625924338
Energy: 1.1897658916605602
Energy: 1.2619879379182297
Energy: 1.2018428388720945
Energy: 1.2211016469414666
Energy: 1.2220894327102951
Energy: 1.222572963142981
Energy: 1.2148275790002094
Energy: 1.220270989891262
Energy: 1.209123756338135
Energy: 1.2192442549164835
Energy: 1.1898709055428704
Energy: 1.189407865133343
Energy: 1.219275483260356
Energy: 1.1907066282018337
Energy: 1.2171519615469277
Energy: 1.1774078615967936
Energy: 1.1958784163872158
Energy: 1.199595137033299
Energy: 1.179658072876105
Energy: 1.2011587197071256
Energy: 1.1974462719224817
Energy: 1.1760014015360092
Energy: 1.1788029850071582
Energy: 1.1956191173117348
Energy: 1.1952882041054909
Energy: 1.222603242961674
Energy: 1.195589311083225
Energy: 1.1780811693122664
Energy: 1.2187224978149314
Energy: 1.2030372975866996
Energy: 1.1681542821054562
Energy: 1.2446305326983933
Energy: 1.2063073874033245
Energy: 1.3450424857159264
Energy: 1.2446782926002855
Energy: 1.2220242805222556
Energy: 1.2093125913280163
Energy: 1.2442242314257224
Energy: 1.2214334868183345
Energy: 1.2866187165683811
Energy: 1.2400225561748999
Energy: 1.1986214237486268
Energy: 1.222807139185825
Energy: 1.2392224553616469
Energy: 1.2090223481001587
Energy: 1.183774046992537
Energy: 1.1897609848605084
Energy: 1.1899715776663993
Energy: 1.161695035836029
Energy: 1.2085188018441477
Energy: 1.2074323284627524
Energy: 1.2417087642386397
Energy: 1.2438374496691302
Energy: 1.2435151151406945
Energy: 1.2420557110516113
Energy: 1.2299939627002836
Energy: 1.2051646420031388
Energy: 1.24286658008775
Energy: 1.2013468276285324
Energy: 1.2026951067899934
Energy: 1.2439831831820503
Energy: 1.1653117805641386
Energy: 1.2061769647958798
Energy: 1.3271315641493495
Energy: 1.1944542549007922
Energy: 1.1951214416928198
Energy: 1.1939911811463846
Energy: 1.1958445600779846
Energy: 1.2047324845295304
Energy: 1.1733382391788063
Energy: 1.1785069396864851
Energy: 1.1770883490270425
Energy: 1.203862890160846
Energy: 1.1796298936980496
Energy: 1.198182491149668
Energy: 1.238748052394787
Energy: 1.218169092664948
Energy: 1.2174225088501687
Energy: 1.1951174618910108
Energy: 1.2188693946536315
Energy: 1.20974187792032
Energy: 1.3465063105592918
Energy: 1.2184592102176517
Energy: 1.2103354885959163
Energy: 1.2170992774420242
Energy: 1.2022951675597502
Energy: 1.2084025736825892
Energy: 1.3387432423941674
Energy: 1.1935179860053038
Energy: 1.2122691915573405
Energy: 1.352954624669298
Energy: 1.2077330297277042
Energy: 1.219438406050473
Energy: 1.2806212144758053
Energy: 1.208733733315837
Energy: 1.2310360669868272
Energy: 1.2789755396958309
Energy: 1.2081806328717366
Energy: 1.24493255375813
Energy: 1.2919371602664709
Energy: 1.219964469669546
Energy: 1.2087419675433007
Energy: 1.2827221699764797
Energy: 1.2071688850516398
Energy: 1.2205441187893826
Energy: 1.4752565912964004
Energy: 1.227273371402278
Energy: 1.24183534930017
Energy: 1.2313051519796618
Energy: 1.2266743527179242
Energy: 1.2416931887695424
Energy: 1.1752526272664205
Energy: 1.1904012669758262
Energy: 1.1877761208042066
Energy: 1.1793369916038476
Energy: 1.1796968570954927
Energy: 1.1868251303731148
Energy: 1.1769185261795634
Energy: 1.1945090028511571
Energy: 1.2015116913404558
Energy: 1.1937108332440463
Energy: 1.1940683413922484
Energy: 1.2016759027040786
Energy: 1.1802721992951692
Energy: 1.1975158152175847
Energy: 1.1936483421308488
Energy: 1.1817373889925396
Energy: 1.1872556783450836
Energy: 1.1937347979194022
Energy: 1.2208411820148808
Energy: 1.20813570209081
Energy: 1.2091208490635088
Energy: 1.2218713340166458
Energy: 1.2203439345112745
Energy: 1.2251119467256464
Energy: 1.2196871007138932
Energy: 1.2082173598937214
Energy: 1.2087921585122843
Energy: 1.2128390521254018
Energy: 1.2086765413536882
Energy: 1.2224529958686823
Energy: 1.1937265692232562
Energy: 1.2490344232694022
Energy: 1.1925212992369936
Energy: 1.1760712315746842
Energy: 1.254415667864103
Energy: 1.1859188710119644

minimum gb energy = 1.161695035836029 eV
minimum distance =  2.24253110672698 Angstroms
sigma value = 81


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

Energy: 1.8103135517554323
Energy: 1.3351018538843384
Energy: 1.229071853379413
Energy: 1.2285659752689417
Energy: 1.3352707826323458
Energy: 1.2288379684849453
Energy: 1.2073395891453058
Energy: 1.1752514731171537
Energy: 1.1771018680224181
Energy: 1.1631121839988776
Energy: 1.1677880242652876
Energy: 1.1752521210852598
Energy: 1.2072113727280978
Energy: 1.1643442311329135
Energy: 1.1626174780872516
Energy: 1.2350278065794806
Energy: 1.1634009078600103
Energy: 1.2234479576133765
Energy: 1.161763675454022
Energy: 1.1627781646497537
Energy: 1.2017084506967928
Energy: 1.160988282641299
Energy: 1.1612469336392328
Energy: 1.2038637967085986
Energy: 1.2204422030198234
Energy: 1.2306754725449747
Energy: 1.2307550554013995
Energy: 1.2200787888060263
Energy: 1.2297426928270376
Energy: 1.229461715848616
Energy: 1.2191705973004778
Energy: 1.2295339583874445
Energy: 1.2295125341438935
Energy: 1.2368650745373697
Energy: 1.2293172312877134
Energy: 1.2297437698453815
Energy: 1.218519527019828
Energy: 1.1807686696963762
Energy: 1.176270099245891
Energy: 1.1975262665403246
Energy: 1.3058710007239809
Energy: 1.1885290467637264
Energy: 1.2961888110398736
Energy: 1.314578239310664
Energy: 1.2968831388428204
Energy: 1.2079601920603766
Energy: 1.3210743785076096
Energy: 1.2299343455515817
Energy: 1.2024858580735023
Energy: 1.1875620008709298
Energy: 1.179236890082445
Energy: 1.1908976771042046
Energy: 1.2201279553798385
Energy: 1.1844867530414391
Energy: 1.2623660839943016
Energy: 1.2128879292603105
Energy: 1.2128585295342051
Energy: 1.2629173041862554
Energy: 1.2132481489900988
Energy: 1.213066213719948
Energy: 1.2082758908934674
Energy: 1.2125705806632543
Energy: 1.2126889723561485
Energy: 1.206852593897935
Energy: 1.1855744611653878
Energy: 1.2173545341564997
Energy: 1.1489750185948893
Energy: 1.1795379478600594
Energy: 1.182550638059372
Energy: 1.1528745280055246
Energy: 1.1758332629863593
Energy: 1.1683723796727303
Energy: 1.1486040898053185
Energy: 1.2205065842342069
Energy: 1.2095572313136436
Energy: 1.1629621021575498
Energy: 1.1913853230043987
Energy: 1.1667929117197933
Energy: 1.1753262881512159
Energy: 1.1809453095657412
Energy: 1.1828531442078494
Energy: 1.179593925964891
Energy: 1.172434752661811
Energy: 1.1813586541179821
Energy: 1.3193763811616526
Energy: 1.2370173959254256
Energy: 1.237908254857895
Energy: 1.2381707947040783
Energy: 1.2375059104926078
Energy: 1.2375146039979392
Energy: 1.3179919608384887
Energy: 1.239940558168634
Energy: 1.240396271981618
Energy: 1.318029641243792
Energy: 1.2412628682714288
Energy: 1.239013902207677
Energy: 1.310375311014115
Energy: 1.2065490417563072
Energy: 1.2067857054102826
Energy: 1.3106751730142185
Energy: 1.2067664257966313
Energy: 1.22974999740689
Energy: 1.3070808794449387
Energy: 1.147142712951305
Energy: 1.200093063549922
Energy: 1.2933646808516421
Energy: 1.2143577122367875
Energy: 1.1841309091048549
Energy: 1.3840751934754918
Energy: 1.2232462740598975
Energy: 1.2129596111895935
Energy: 1.2142290492420622
Energy: 1.2258802101141377
Energy: 1.2130074470727779
Energy: 1.3839371976568726
Energy: 1.2216052830630946
Energy: 1.2126530408847975
Energy: 1.2132708024049053
Energy: 1.2317532831082707
Energy: 1.2125889541820956
Energy: 1.157615022300688
Energy: 1.1640430969036095
Energy: 1.1871627730930874
Energy: 1.1380595220125795
Energy: 1.1471684572372933
Energy: 1.1912675055142095
Energy: 1.1723684561523984
Energy: 1.1639396903423995
Energy: 1.1728845429106185
Energy: 1.198230712759767
Energy: 1.1634692619121785
Energy: 1.1810070661413508
Energy: 1.1718501143436957
Energy: 1.1913830065626128
Energy: 1.1905457212195303
Energy: 1.1734779220980425
Energy: 1.1825635723297516
Energy: 1.180591939862236
Energy: 1.2301494175480758
Energy: 1.2396232666785278
Energy: 1.2379984498147631
Energy: 1.2370729206815656
Energy: 1.24041869255222
Energy: 1.2373527172701595
Energy: 1.2314468793580036
Energy: 1.2377763262627488
Energy: 1.237732310861605
Energy: 1.2235682614917518
Energy: 1.250693119565544
Energy: 1.2408479379320483
Energy: 1.2947812311092044
Energy: 1.3337697457624764
Energy: 1.2222394392834315
Energy: 1.2037409538021204
Energy: 1.3341925890266957
Energy: 1.2317115074975324
Energy: 1.2945458125584355
Energy: 1.2970951238157604
Energy: 1.2269190928587672
Energy: 1.2456624158910903
Energy: 1.3005214749538248
Energy: 1.2289767014807709
Energy: 1.2010760148451065
Energy: 1.158140226177582
Energy: 1.2177265389685188
Energy: 1.2023325905842934
Energy: 1.184646541291103
Energy: 1.217539521141825
Energy: 1.209106491138184
Energy: 1.2134952900105345
Energy: 1.2130522776163652
Energy: 1.23476870903307
Energy: 1.2137698507269428
Energy: 1.2132626049121704
Energy: 1.147261104723196
Energy: 1.1672687690904082
Energy: 1.1932643150866833
Energy: 1.1471601953148935
Energy: 1.1375003820597085
Energy: 1.1418637888379222
Energy: 1.1495121744631291
Energy: 1.189608926623169
Energy: 1.1889554308914516
Energy: 1.1649072622403298
Energy: 1.21026834879493
Energy: 1.1626722223848054
Energy: 1.1479836790041682
Energy: 1.1580114867782063
Energy: 1.1664510369147731
Energy: 1.1589781260794063
Energy: 1.1595361030110172
Energy: 1.1669032608502223
Energy: 1.3081135367128962
Energy: 1.232164862156979
Energy: 1.2315216322157785
Energy: 1.2374566372729032
Energy: 1.2271440582714206
Energy: 1.2317075063643808
Energy: 1.3075619877226754
Energy: 1.2377386891322724
Energy: 1.2348077056839806
Energy: 1.2404052186662224
Energy: 1.2313758587644863
Energy: 1.2337594111176535
Energy: 1.3054823289173487
Energy: 1.1742574484455712
Energy: 1.1974142569166217
Energy: 1.30600012533291
Energy: 1.2036652831257229
Energy: 1.1972621848821599
Energy: 1.351805489166396
Energy: 1.2051230426087944
Energy: 1.2051426004694923
Energy: 1.3540282464431692
Energy: 1.2045212276581285
Energy: 1.334132226927512
Energy: 1.3540865239721256
Energy: 1.2327224677819426
Energy: 1.235445982813717
Energy: 1.306815639280618
Energy: 1.2278454893817665
Energy: 1.2471587357939995
Energy: 1.2767322460381165
Energy: 1.3485713732725302
Energy: 1.2292514118560423
Energy: 1.2158071485343005
Energy: 1.3408867966483806
Energy: 1.2072016712031426

minimum gb energy = 1.1375003820597085 eV
minimum distance =  2.24414258793383 Angstroms
sigma value = 43


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

Energy: 1.7702615271710591
Energy: 1.3016985585034846
Energy: 1.2398286698846406
Energy: 1.2934184806378293
Energy: 1.3016946928355535
Energy: 1.2912784659685914
Energy: 1.2223478696279921
Energy: 1.1675946359267872
Energy: 1.183385084343168
Energy: 1.1717916633770111
Energy: 1.1586388765216222
Energy: 1.178090297385204
Energy: 1.3732769056454939
Energy: 1.1857880331961033
Energy: 1.1858481349330774
Energy: 1.3704111181592475
Energy: 1.186217956342855
Energy: 1.2215956865725548
Energy: 1.1729743020195267
Energy: 1.185953110548893
Energy: 1.1740757885600148
Energy: 1.1729722428238738
Energy: 1.185855998812535
Energy: 1.1752184097270342
Energy: 1.143446142579806
Energy: 1.1688728743285939
Energy: 1.169145384803808
Energy: 1.1436645580576266
Energy: 1.1671612928275876
Energy: 1.169310164156395
Energy: 1.1441667206769277
Energy: 1.1674347902131796
Energy: 1.1682186044372964
Energy: 1.1703702670343468
Energy: 1.1696008696203783
Energy: 1.1682757056280897
Energy: 1.1444548100294485
Energy: 1.1444725733827137
Energy: 1.1443646629060709
Energy: 1.157513513019803
Energy: 1.1437285139461848
Energy: 1.1638915144756778
Energy: 1.2862955045959723
Energy: 1.2219952075185074
Energy: 1.2226681531178034
Energy: 1.1669989918517871
Energy: 1.2217817352465286
Energy: 1.2220593470886771
Energy: 1.135508230108059
Energy: 1.1742658557600676
Energy: 1.1745755398538729
Energy: 1.1354783912965312
Energy: 1.1803137375820043
Energy: 1.1731902948714015
Energy: 1.386131985094272
Energy: 1.221074926969191
Energy: 1.2207951888760764
Energy: 1.2447210620435736
Energy: 1.2214308005788492
Energy: 1.2215441184528124
Energy: 1.1377369664030008
Energy: 1.2164678834379483
Energy: 1.1663148338707565
Energy: 1.1617475529487182
Energy: 1.2462450072177405
Energy: 1.1833945550456864
Energy: 1.3299476194857438
Energy: 1.2217692957851463
Energy: 1.2222395983925
Energy: 1.2046585898817062
Energy: 1.2220788560086868
Energy: 1.2214569063283967
Energy: 1.3313513243127018
Energy: 1.249067849681813
Energy: 1.2549122235238914
Energy: 1.1864627515366646
Energy: 1.2502533121085193
Energy: 1.2551204613124862
Energy: 1.1380362460302367
Energy: 1.2218825610292636
Energy: 1.1832103678233896
Energy: 1.1347427977489746
Energy: 1.1654638326752667
Energy: 1.1833143771889223
Energy: 1.1386921581514422
Energy: 1.1756172463837673
Energy: 1.1766976833726819
Energy: 1.1763896753334395
Energy: 1.165474486688065
Energy: 1.1847063055464837
Energy: 1.1382561721339375
Energy: 1.1802440067723015
Energy: 1.1721268959112394
Energy: 1.139069284779043
Energy: 1.1442118986972334
Energy: 1.1379558805958971
Energy: 1.1686874242622132
Energy: 1.1843001865215816
Energy: 1.1836837714634947
Energy: 1.1682846080590805
Energy: 1.1601310844450896
Energy: 1.1838383972840585
Energy: 1.1682498583885395
Energy: 1.1834561249395825
Energy: 1.1836312146056223
Energy: 1.1633999321956774
Energy: 1.193289561489295
Energy: 1.1840470055759464
Energy: 1.2616221796206766
Energy: 1.1690357312378812
Energy: 1.1834099942264003
Energy: 1.2204537437457128
Energy: 1.2613803800152605
Energy: 1.2201663649906078
Energy: 1.260536518902739
Energy: 1.1688603046822663
Energy: 1.1834320986844453
Energy: 1.2208273168358181
Energy: 1.2665904941193575
Energy: 1.2133270676372272
Energy: 1.1682327690368841
Energy: 1.2387090914798766
Energy: 1.1681981064761489
Energy: 1.1571687286011771
Energy: 1.1731205997035477
Energy: 1.1845908839838857
Energy: 1.2858258369537903
Energy: 1.2571359257876153
Energy: 1.2554136706246792
Energy: 1.285545235906045
Energy: 1.1882876691224693
Energy: 1.3203135338065903
Energy: 1.2195244949495812
Energy: 1.158337062519491
Energy: 1.1589087798969697
Energy: 1.1577585741691672
Energy: 1.1667106454303495
Energy: 1.1930030093754858
Energy: 1.2411216141939792
Energy: 1.1847924504429816
Energy: 1.1841981668558947
Energy: 1.1920530730425754
Energy: 1.1681416857240674
Energy: 1.1837649342683891
Energy: 1.203219923621697
Energy: 1.1679742501625003
Energy: 1.1833625257490912
Energy: 1.1862156897182972
Energy: 1.168236223768771
Energy: 1.1690583173680378
Energy: 1.2019315419730507
Energy: 1.1714960752871895
Energy: 1.1825308614590506
Energy: 1.181700010629592
Energy: 1.1384073871118132
Energy: 1.1807190745802147
Energy: 1.2013994511634942
Energy: 1.1818395410283307
Energy: 1.1794288497467416
Energy: 1.1946705812713532
Energy: 1.1799231901044085
Energy: 1.180129246904477
Energy: 1.2223744834328274
Energy: 1.17854958787168
Energy: 1.1733053419347044
Energy: 1.1649617588358714
Energy: 1.1753526420217464
Energy: 1.1648012419885077
Energy: 1.241514313946943
Energy: 1.2206561199218404
Energy: 1.2205669591917259
Energy: 1.2416156068362858
Energy: 1.1677505844908007
Energy: 1.220006304186942
Energy: 1.2260723456038403
Energy: 1.1778064212548223
Energy: 1.1831068020886437
Energy: 1.1727344307720773
Energy: 1.1395897152478756
Energy: 1.1642699706317166
Energy: 1.26228430907704
Energy: 1.330319890700923
Energy: 1.2136843355596745
Energy: 1.2569756174243922
Energy: 1.3492032408513754
Energy: 1.18603800448106

minimum gb energy = 1.1347427977489746 eV
minimum distance =  2.27802207131102 Angstroms
sigma value = 57


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

Energy: 1.4040232445873824
Energy: 1.3159467841207189
Energy: 1.2758407407340906
Energy: 1.1737557625787562
Energy: 1.3162639064888924
Energy: 1.2765051906163136
Energy: 1.205061674080826
Energy: 1.1657863344309196
Energy: 1.1664814014679266
Energy: 1.1421428645927736
Energy: 1.1402335240730805
Energy: 1.1408631369300466
Energy: 1.1316268888117216
Energy: 1.1371321798432033
Energy: 1.1369340625849709
Energy: 1.1569666578605535
Energy: 1.1370567116286399
Energy: 1.136811606487647
Energy: 1.1292404010051629
Energy: 1.136556447617463
Energy: 1.137329240487971
Energy: 1.1296884231955167
Energy: 1.1373292364050127
Energy: 1.130364870194546
Energy: 1.1306298672680444
Energy: 1.1414234005645665
Energy: 1.1407772403212453
Energy: 1.1313280806265622
Energy: 1.1406612940057221
Energy: 1.1406191046315923
Energy: 1.0826000854027893
Energy: 1.1403293070746863
Energy: 1.1437197064498805
Energy: 1.140771281815827
Energy: 1.1293257315582612
Energy: 1.1434599689625136
Energy: 1.1452604380678337
Energy: 1.128360050527582
Energy: 1.1284458315583312
Energy: 1.1458798060497297
Energy: 1.1296542009217492
Energy: 1.1299141218026825
Energy: 1.1264979538420323
Energy: 1.1393205950870573
Energy: 1.2098704943904939
Energy: 1.1428709543832714
Energy: 1.142321868282127
Energy: 1.1382512258542692
Energy: 1.1391785911352994
Energy: 1.165700809667788
Energy: 1.137317273034598
Energy: 1.140043774572373
Energy: 1.1657840628293157
Energy: 1.137279949510546
Energy: 1.3483300689637576
Energy: 1.1939889102470755
Energy: 1.1938560505924105
Energy: 1.3488353536142448
Energy: 1.1942222853192617
Energy: 1.1922604971720447
Energy: 1.1314810585011825
Energy: 1.1595788520361205
Energy: 1.158223827965794
Energy: 1.1399554693660279
Energy: 1.1524935996491275
Energy: 1.159590257812852
Energy: 1.0822515926034122
Energy: 1.16565789665608
Energy: 1.1588408984849252
Energy: 1.0851847667520385
Energy: 1.1654863437949696
Energy: 1.1736560374369067
Energy: 1.0834274440223892
Energy: 1.1376480777558386
Energy: 1.1691878013935157
Energy: 1.1743893563772194
Energy: 1.1373290050522795
Energy: 1.1757268286839464
Energy: 1.131774645470835
Energy: 1.167500462601654
Energy: 1.1409158501629915
Energy: 1.139882639027622
Energy: 1.1402928461291366
Energy: 1.1371709863620918
Energy: 1.1352059261848524
Energy: 1.1356474280215016
Energy: 1.1365597039207465
Energy: 1.1333814272914584
Energy: 1.1355721352181898
Energy: 1.151969153694207
Energy: 1.1296247844858631
Energy: 1.125273991719436
Energy: 1.123544310923887
Energy: 1.130265341265072
Energy: 1.1413822255355979
Energy: 1.1287781607841771
Energy: 1.130999026639305
Energy: 1.140551117781134
Energy: 1.1399900579284832
Energy: 1.1289659818862114
Energy: 1.1404253129377375
Energy: 1.1397115016211259
Energy: 1.13090589765502
Energy: 1.12779296582017
Energy: 1.1409011532112399
Energy: 1.1308402884337587
Energy: 1.1310711488698146
Energy: 1.139777828084748
Energy: 1.1454190512743967
Energy: 1.1323113293475642
Energy: 1.1371408797285645
Energy: 1.1304409008449632
Energy: 1.1322822948870581
Energy: 1.136469784362913
Energy: 1.1473753723467783
Energy: 1.1374201794078498
Energy: 1.1371791179732902
Energy: 1.1369521733782295
Energy: 1.1373887288250975
Energy: 1.1369186857359697
Energy: 1.1405921622290105
Energy: 1.1675564262418234
Energy: 1.1685866301787098
Energy: 1.1409517400154303
Energy: 1.173729764829367
Energy: 1.1574034438567908
Energy: 1.3623681175062214
Energy: 1.1375816086883617
Energy: 1.1604348962032653
Energy: 1.362678445326613
Energy: 1.1371555844734966
Energy: 1.177640156821931
Energy: 1.1312131068689948
Energy: 1.1677991764116389
Energy: 1.1670417458238243
Energy: 1.1398091627990552
Energy: 1.1406691165352236
Energy: 1.1665143165760672
Energy: 1.0833502347325916
Energy: 1.1387370015467668
Energy: 1.1700408023846909
Energy: 1.1754622695307717
Energy: 1.2319481367363203
Energy: 1.16955494756962

minimum gb energy = 1.0822515926034122 eV
minimum distance =  2.22993709810919 Angstroms
sigma value = 17


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

Energy: 1.595687062088988
Energy: 1.1335999317544543
Energy: 1.2550214047357535
Energy: 1.081112124524565
Energy: 1.1345474646004632
Energy: 1.079588836895038
Energy: 1.2342052971676394
Energy: 1.1301568826028874
Energy: 1.1295858467685151
Energy: 1.1422220756946149
Energy: 1.120287592507986
Energy: 1.111936353387107
Energy: 1.3083357301205392
Energy: 1.047707717849946
Energy: 1.048480822599272
Energy: 1.130906059895958
Energy: 1.0486195777467024
Energy: 1.048833497605053
Energy: 1.1173363713678344
Energy: 1.0490121921322288
Energy: 1.036481764231457
Energy: 1.1172926855039063
Energy: 1.0501084221883945
Energy: 1.1178388016547478
Energy: 1.118116706245827
Energy: 1.049433716818624
Energy: 1.0722121135761629
Energy: 1.1180573114344072
Energy: 1.0379408014737774
Energy: 1.0670270344718422
Energy: 1.0245665372562933
Energy: 1.0496511390515237
Energy: 1.05003295830903
Energy: 1.035779377455198
Energy: 0.9974976645695932
Energy: 1.0343476862583116
Energy: 0.997593580585842
Energy: 0.9971111222925553
Energy: 0.9970658141714923
Energy: 0.9984750231808888
Energy: 0.9984082790452098
Energy: 1.0219024698026307
Energy: 0.9974493992926342
Energy: 1.0380893466371333
Energy: 1.0499623584425724
Energy: 1.0384137186282907
Energy: 1.0380313316947207
Energy: 1.04838271416703
Energy: 0.9999539654929354
Energy: 1.043632659725829
Energy: 1.041478229423264
Energy: 1.0014296621451948
Energy: 1.0383671657876123
Energy: 0.9973694404027865
Energy: 0.996988564104375
Energy: 1.06658223637614
Energy: 1.0658022061279118
Energy: 0.9971299282684344
Energy: 1.0668703809321332
Energy: 1.0489656782891477
Energy: 0.9981333702799801
Energy: 1.0663069470275797
Energy: 1.0657997700016557
Energy: 1.037491413430064
Energy: 1.1179214783237998
Energy: 1.0483984058097662
Energy: 1.1191788981890076
Energy: 1.117643276497633
Energy: 1.1177835801764688
Energy: 1.1193748081263337
Energy: 1.1178540761631583
Energy: 1.118345768804246
Energy: 1.1156412236512316
Energy: 1.129754272091324
Energy: 1.1291893566700724
Energy: 1.0491169280722963
Energy: 1.1179235186831498
Energy: 1.1557119587051072
Energy: 1.1301167037854745
Energy: 1.1304114972278672
Energy: 1.1550947872365127
Energy: 1.1308195978130167
Energy: 1.1189713449329983
Energy: 1.0958060287860671
Energy: 1.232611829451057
Energy: 1.1277384293034634
Energy: 1.1271859883908233
Energy: 1.1333787064288277
Energy: 1.127915929311558
Energy: 1.2171273668401938
Energy: 1.2378573764603789
Energy: 1.1641992932168592
Energy: 1.111076314945416
Energy: 1.1599448740045497
Energy: 1.1313236032012308
Energy: 1.1539600141719373
Energy: 1.214167337672609
Energy: 1.1291572708855773
Energy: 1.2096488844910298
Energy: 1.0519933875442884
Energy: 1.129792383966217
Energy: 1.209245742546944

minimum gb energy = 0.996988564104375 eV
minimum distance =  2.25896915505236 Angstroms
sigma value = 17


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

Energy: 1.684148521368862
Energy: 1.095904025363576
Energy: 1.0835208423275287
Energy: 1.036019853175963
Energy: 1.0947260691540301
Energy: 1.0864347209270109
Energy: 1.2021719499199082
Energy: 1.08523941344019
Energy: 1.0991515851343514
Energy: 1.079063402013375
Energy: 1.079364848165442
Energy: 1.0434459881101386
Energy: 1.2400677991631617
Energy: 0.974257966033367
Energy: 1.0388370386976014
Energy: 1.0777031810851974
Energy: 0.9742471675181343
Energy: 1.0388733087313715
Energy: 1.0806991155217702
Energy: 1.0395194454593633
Energy: 1.018680804810002
Energy: 1.0807057712792303
Energy: 0.9721419885391787
Energy: 0.9961339466127411
Energy: 0.9683076500492885
Energy: 0.9935573237456016
Energy: 1.0080345969601627
Energy: 0.9692960034575123
Energy: 0.9874674366047382
Energy: 1.01010272968997
Energy: 0.9951126879051942
Energy: 0.953006480130372
Energy: 0.9716894666412189
Energy: 0.9740303412190755
Energy: 0.9538679704163425
Energy: 0.9722097943515502
Energy: 0.8967183255873771
Energy: 0.9538731418612125
Energy: 0.9537869724236713
Energy: 0.9485190187285639
Energy: 0.9560198258808894
Energy: 0.962499875562261
Energy: 0.895558974575304
Energy: 0.948142652166234
Energy: 0.9606849908124009
Energy: 0.9703994798290682
Energy: 0.9487016436332948
Energy: 0.9884076802503083
Energy: 0.8970731359731361
Energy: 0.9618140495306866
Energy: 0.9354075562560257
Energy: 0.8986718801758314
Energy: 1.0081775784542308
Energy: 0.896917220123339
Energy: 0.8973440980631965
Energy: 0.9546566565949736
Energy: 0.9548712605741557
Energy: 0.8974475942406717
Energy: 0.9555115183653003
Energy: 0.9547846798637624
Energy: 0.8967503002393826
Energy: 0.8958144288696713
Energy: 0.962062435111467
Energy: 0.9546644465311288
Energy: 0.897487568692509
Energy: 0.9619113518120846
Energy: 0.9008795934541906
Energy: 0.8968114766702244
Energy: 0.8969000682045353
Energy: 0.9041602448903809
Energy: 0.8962552298057921
Energy: 0.9368327822940145
Energy: 0.952751649470234
Energy: 0.963963145289485
Energy: 0.9686284675715532
Energy: 0.9612745716929165
Energy: 0.9854881670698566
Energy: 0.9605744208080864
Energy: 0.9534266513020752
Energy: 0.9720744661478122
Energy: 0.981567619317333
Energy: 0.9540103928138892
Energy: 0.9705515067738788
Energy: 0.954141995331541
Energy: 0.9542626712452821
Energy: 0.962600994013696
Energy: 0.9624441657740579
Energy: 0.9540660819816454
Energy: 0.9834409272738185
Energy: 1.0060084907261861
Energy: 1.1630856350120211
Energy: 1.0779181692540827
Energy: 1.0066136140309252
Energy: 0.9875743419730002
Energy: 1.0776506229734495
Energy: 1.0087854977606174
Energy: 0.8992140789172512
Energy: 1.080326408362402
Energy: 1.07860792756984
Energy: 0.9531008291250985
Energy: 1.0798220832676566
Energy: 0.9908875615852432
Energy: 0.9695141804317737
Energy: 1.082055283721917
Energy: 1.0988032645989334
Energy: 1.0013753728384098
Energy: 1.0787842835157375
Energy: 0.9878464066721091
Energy: 1.170824722017407
Energy: 1.0779375739613304
Energy: 1.0430216109918589
Energy: 1.0800420559087984
Energy: 0.9878982746050731
Energy: 1.0088165916898117
Energy: 1.2422459335669602
Energy: 0.99852456171168
Energy: 0.9991335357163161
Energy: 1.1518001925764394
Energy: 0.9957590090329752
Energy: 1.0895062137456566
Energy: 1.1948703516331356
Energy: 1.0833719577630745
Energy: 1.0818748555976239
Energy: 1.0801847200093633
Energy: 1.0789266217224527
Energy: 1.0993194947870935
Energy: 0.9109127664667099
Energy: 1.0861297505669973
Energy: 1.1589565803447828
Energy: 1.0053389627649134
Energy: 1.0913912388318003
Energy: 1.0008560390510184
Energy: 1.0491633794557864
Energy: 1.1085919975453526
Energy: 1.0995767986489597
Energy: 1.0492747885611386
Energy: 1.0813527156924072
Energy: 1.1571766766385823
Energy: 1.2547774611518485
Energy: 1.0185275490480012
Energy: 1.098613907802886
Energy: 1.0811825181988508
Energy: 1.0781128675579883
Energy: 1.0992588599128459
Energy: 1.0767728080816437
Energy: 0.9743255024568701
Energy: 1.0385715877639041
Energy: 1.0771838608387376
Energy: 0.9748925368161887
Energy: 1.0071575536833637
Energy: 1.0809287467835351
Energy: 0.9932832781245801
Energy: 1.0110521625623423
Energy: 1.0822814540097614
Energy: 0.9911111333966242
Energy: 1.028001904900111
Energy: 0.9954770098144233
Energy: 0.9928496075180966
Energy: 1.0058647360305575
Energy: 0.9736683861708157
Energy: 0.9971016746631658
Energy: 0.9719747351066789
Energy: 0.9532645262196803
Energy: 0.9538841789049517
Energy: 0.9537060067410023
Energy: 0.9539504045127288
Energy: 0.9552714392301274
Energy: 0.9539771224229244
Energy: 0.8956331250826056
Energy: 0.9677949332576467
Energy: 0.9687626335298667
Energy: 0.9636952216049547
Energy: 0.9549891481417224
Energy: 0.9732495102423442
Energy: 0.8967864707764426
Energy: 0.9483279995371152
Energy: 0.9607455667319952
Energy: 0.8970162121329837
Energy: 0.9488869719614336
Energy: 0.9606042676090102
Energy: 0.9022176730404656
Energy: 0.9579758499612248
Energy: 0.9563176479432492
Energy: 0.897125587098151
Energy: 0.9544582110624333
Energy: 0.9344623838085993
Energy: 0.8957550197658548
Energy: 0.958649786904373
Energy: 0.957515140029319
Energy: 0.9584591131062202
Energy: 0.9640957458940552
Energy: 0.9568507102816542
Energy: 0.910066735607604
Energy: 0.8969455541727189
Energy: 0.897269698319503
Energy: 0.9102722973443937
Energy: 0.8972804509342917
Energy: 0.8970417806526748
Energy: 0.9545560779894912
Energy: 0.9608803200482872
Energy: 0.9693093615629419
Energy: 0.9834615088398089
Energy: 0.9350299155202079
Energy: 0.9687222128946329
Energy: 0.9547012616800419
Energy: 0.9680598731869383
Energy: 0.9677575873101586
Energy: 0.9547638523464518
Energy: 0.9696714539863497
Energy: 0.9692204982856807
Energy: 0.9540659195850848
Energy: 0.9621441444818221
Energy: 1.0060783132138218
Energy: 0.954162069149934
Energy: 0.9620726372874614
Energy: 0.9877589240751691
Energy: 1.1747064228349149
Energy: 1.0063510098541042
Energy: 1.0066779840125761
Energy: 0.9906667253024866
Energy: 0.9880213606886126
Energy: 1.0089379563129703
Energy: 0.8962526761034312
Energy: 1.0786778093657576
Energy: 1.0787666151645934
Energy: 0.9693489431755357
Energy: 1.0804634030592852
Energy: 1.078060892389063
Energy: 1.076947037015797
Energy: 1.0821732098331929
Energy: 0.9891594874088757
Energy: 1.0086119709588846
Energy: 1.1518196948849295
Energy: 0.9937074773257325
Energy: 1.171673589987911
Energy: 1.0794884636635662
Energy: 1.0820075991110816
Energy: 1.0826018363072245
Energy: 1.082563615914724
Energy: 1.0524525780939016
Energy: 1.1773597743251651
Energy: 0.994540196849793
Energy: 1.100473180025258
Energy: 1.0851429663072725
Energy: 0.9943680115481327
Energy: 1.0777558486951413
Energy: 1.2586721456928147
Energy: 1.0461279741471752
Energy: 1.099266769295468
Energy: 1.0825765963158025
Energy: 0.9678459429773988
Energy: 1.0997606524152452
Energy: 1.0477712200665563
Energy: 1.0838177351258989
Energy: 1.099257409711422
Energy: 1.0481064737764834
Energy: 1.0812782108741725
Energy: 1.1569483221146697

minimum gb energy = 0.895558974575304 eV
minimum distance =  2.24025447703156 Angstroms
sigma value = 57


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

Energy: 1.5319073706853483
Energy: 1.3702437111664143
Energy: 0.9991194899728476
Energy: 0.9599770924134227
Energy: 1.3759602906059714
Energy: 0.9967980968520342
Energy: 1.1151652847239022
Energy: 1.036366610769159
Energy: 1.0318884173568044
Energy: 1.033238772168197
Energy: 1.0349390807689276
Energy: 0.9439884689017386
Energy: 1.1702704951496266
Energy: 0.9266393357290631
Energy: 0.9271831292001186
Energy: 1.0341628291007499
Energy: 0.9262912264896807
Energy: 0.9550754345080795
Energy: 1.038216386569323
Energy: 0.9263213644332313
Energy: 0.9600777485063836
Energy: 1.0394373521764808
Energy: 0.8981965344158542
Energy: 0.9614093473283609
Energy: 1.0286815209671492
Energy: 0.9488097493410379
Energy: 0.9606411473124158
Energy: 1.0298933328844997
Energy: 0.9455936718904627
Energy: 0.9667577058787821
Energy: 0.8745853658759873
Energy: 0.919215894389904
Energy: 0.9249364823825702
Energy: 0.8922976943163741
Energy: 0.9196256402495507
Energy: 0.924783719607775
Energy: 1.0718369540427573
Energy: 0.9198834733364335
Energy: 0.91961569912547
Energy: 0.9246293094868386
Energy: 0.9241852168180987
Energy: 0.9255397024772407
Energy: 1.0737185319241533
Energy: 0.8912028809677861
Energy: 0.9047556663517334
Energy: 0.9358205746509426
Energy: 0.8907936569194799
Energy: 0.9200292358575075
Energy: 0.8562375811792738
Energy: 0.9088804149574167
Energy: 0.8532599503886986
Energy: 0.8569530997631761
Energy: 1.053952641891688
Energy: 0.853180438998121
Energy: 0.8536131041520097
Energy: 0.9068390278704974
Energy: 0.9061318886868364
Energy: 0.8532928324364613
Energy: 0.9368681896385318
Energy: 0.9075536979213971
Energy: 0.8280294154386739
Energy: 0.8218057500837939
Energy: 0.8950143205646017
Energy: 0.8793424557059247
Energy: 0.8223609860479809
Energy: 0.8967652779903292
Energy: 0.9595287306724414
Energy: 0.8222149071219624
Energy: 0.8220776003767948
Energy: 1.0442902076255027
Energy: 0.8282788987790315
Energy: 0.8836136349387469
Energy: 0.8239402838711208
Energy: 0.913466417303888
Energy: 0.8963824298717329
Energy: 0.8847840124385262
Energy: 0.9134288391782592
Energy: 0.8995218504383232
Energy: 0.8228147601097261
Energy: 0.889002126925087
Energy: 0.8216377055470258
Energy: 0.8244233582834674
Energy: 1.044082575988363
Energy: 0.8221076658782349
Energy: 0.8221416224130752
Energy: 0.9041874597914878
Energy: 0.885904887752919
Energy: 0.8221879356385561
Energy: 0.9058518512706435
Energy: 0.8859276006852583
Energy: 1.0548184318199694
Energy: 0.8539502798768148
Energy: 0.9045880887400525
Energy: 0.9042495064596561
Energy: 0.8538256628956925
Energy: 0.9024494674282206
Energy: 0.8679382008394079
Energy: 0.8532702821562098
Energy: 0.8529144620092847
Energy: 0.8963540587314517
Energy: 0.8528527112317703
Energy: 0.9169704581362728
Energy: 0.9769702683845471
Energy: 0.9119752129721643
Energy: 0.9133139738317242
Energy: 0.9768785703933
Energy: 0.9125264873214546
Energy: 0.9177136996743546
Energy: 0.9203222725555901
Energy: 0.9278709819152267
Energy: 0.9195093549304039
Energy: 0.9223429619397906
Energy: 0.9276180668450998
Energy: 0.9197293746362936
Energy: 1.1077187855059725
Energy: 0.9271476859765506
Energy: 0.9272327964351516
Energy: 0.9471372318254861
Energy: 0.9098558082140153
Energy: 0.9630508106455907
Energy: 1.106222846700666
Energy: 1.0389418778047748
Energy: 0.9469747473878983
Energy: 0.9466233784828905
Energy: 1.0417786720906799
Energy: 0.956538806857629
Energy: 1.0070112593411167
Energy: 1.032996669700137
Energy: 0.9192977910035939
Energy: 0.9105961678920379
Energy: 1.033114536585773
Energy: 0.9426849038027099
Energy: 0.9377299345937462
Energy: 1.0299270730256644
Energy: 1.0294338909699905
Energy: 0.9472890203401647
Energy: 1.0383308536636668
Energy: 1.0300859658478132
Energy: 1.1128652053395174
Energy: 0.9471075575464423
Energy: 0.9421480169231199
Energy: 1.0347462101278728
Energy: 0.9464752765010842
Energy: 0.9634066417332677
Energy: 1.1774622046737993
Energy: 0.9435080585735186
Energy: 0.9469525389576472
Energy: 1.033765205242333
Energy: 0.9442813502488252
Energy: 1.0292816216249456
Energy: 1.13112643385826
Energy: 1.0379580202837297
Energy: 1.0314393916518954
Energy: 1.0367416762150752
Energy: 1.0389247072889332
Energy: 1.03181653691989
Energy: 0.96165208388764
Energy: 1.038850437087822
Energy: 0.9613888980562466
Energy: 0.9270468605789454
Energy: 1.0411585345894732
Energy: 0.9556655008285061

minimum gb energy = 0.8216377055470258 eV
minimum distance =  2.29469722414559 Angstroms
sigma value = 43


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

Energy: 0.9292368381416793
Energy: 0.935343263225648
Energy: 0.9170224622490545
Energy: 0.8253024713753001
Energy: 0.9344490837573536
Energy: 0.8652183878902735
Energy: 0.9699555169964053
Energy: 0.9135542337293331
Energy: 0.8368763730526141
Energy: 0.9105980798553003
Energy: 0.9138322458335838
Energy: 0.8351181251030597
Energy: 1.0141300274528056
Energy: 0.7910406244908075
Energy: 0.8184913474211536
Energy: 0.9108194150058654
Energy: 0.7911090062415888
Energy: 0.8194841095273308
Energy: 0.9131015064274556
Energy: 0.818106686242006
Energy: 0.8056936612128353
Energy: 0.9130895383425393
Energy: 0.9126113370165542
Energy: 0.8578434183207116
Energy: 0.8991685311587988
Energy: 0.838347893409385
Energy: 0.8378928888618197
Energy: 0.8992902172237028
Energy: 0.8274793001895828
Energy: 0.8357313323736677
Energy: 0.7456016243184328
Energy: 0.8244346146062906
Energy: 0.8142044636446973
Energy: 0.7703543670176092
Energy: 0.8242754838446382
Energy: 0.7879627757044823
Energy: 0.9432072543925032
Energy: 0.8242306155585055
Energy: 0.8240696916343758
Energy: 0.813365667506222
Energy: 0.8246612715610477
Energy: 0.8117023036341731
Energy: 0.9410260157322291
Energy: 0.7660438774967417
Energy: 0.782646884540436
Energy: 0.8007964154264405
Energy: 0.7660704111524034
Energy: 0.7825993877338188
Energy: 0.7698228437556126
Energy: 0.7824308145624791
Energy: 0.7670904261735086
Energy: 0.7717061547055193
Energy: 0.9145057088027124
Energy: 0.7671139683477365
Energy: 0.7435870304497274
Energy: 0.7868874075158645
Energy: 0.7875011185211631
Energy: 0.7668796003706025
Energy: 0.7864209863761382
Energy: 0.7853126264194699
Energy: 0.8874441978790898
Energy: 0.7289969996985542
Energy: 0.7725570754097397
Energy: 0.7586309023983829
Energy: 0.7289559114005097
Energy: 0.7639067180232186
Energy: 0.9057580650504397
Energy: 0.7293277754484283
Energy: 0.7290618348850675
Energy: 0.8451522189656647
Energy: 0.7293555436033199
Energy: 0.7772675356483908
Energy: 0.9064756689052219
Energy: 0.765927096864555
Energy: 0.7705429253775739
Energy: 0.9090066627324148
Energy: 0.7562500282437429
Energy: 0.783385646146682
Energy: 0.7063330810671922
Energy: 0.8391553999570341
Energy: 0.7057005864091672
Energy: 0.7082575440811912
Energy: 0.8931828785545396
Energy: 0.7063925143795344
Energy: 0.7061097692891998
Energy: 0.7540946841216211
Energy: 0.7605216029195411
Energy: 0.705961243682658
Energy: 0.7555535370185529
Energy: 0.7611662191047516
Energy: 0.7939744594664571
Energy: 0.6952933126663746
Energy: 0.6957029571396051
Energy: 0.7527473647240163
Energy: 0.6951460049540512
Energy: 0.757194416888078
Energy: 0.8864095891782958
Energy: 0.6953177877976093
Energy: 0.6948473623254874
Energy: 0.8294638031253772
Energy: 0.6955264527316635
Energy: 0.755579052100447
Energy: 0.6987333233813039
Energy: 0.7559829971841842
Energy: 0.7552515766281552
Energy: 0.6980052330690681
Energy: 0.7649410684562442
Energy: 0.7548010061529669
Energy: 0.6951807637252627
Energy: 0.8869044930361488
Energy: 0.6950293985154149
Energy: 0.6967312859468429
Energy: 0.8906511855730319
Energy: 0.6950674388992663
Energy: 0.8967539577522083
Energy: 0.7635425906177762
Energy: 0.763244931129813
Energy: 0.8991790006457808
Energy: 0.7687679281988082
Energy: 0.762285150240716
Energy: 0.8952031338800897
Energy: 0.706186447179528
Energy: 0.7057992709485481
Energy: 0.7633379922607124
Energy: 0.7064562457918528
Energy: 0.7628743491814801
Energy: 0.7969563164012369
Energy: 0.7061301223956499
Energy: 0.7062899663674301
Energy: 0.7589974177024336
Energy: 0.7063211443143125
Energy: 0.7583889866888496
Energy: 0.7291737595774481
Energy: 0.7603067911882913
Energy: 0.7602323145514006
Energy: 0.7289282200260438
Energy: 0.7618656400704323
Energy: 0.7613266800942312
Energy: 0.7293214918790012
Energy: 0.8481252899911402
Energy: 0.7290462120131168
Energy: 0.7315870327256134
Energy: 0.9064742843916067
Energy: 0.72975870903052
Energy: 0.9205047997629996
Energy: 0.7708422505322701
Energy: 0.7735283790893986
Energy: 0.8683324992111571
Energy: 0.7613932860988472
Energy: 0.7865785710985512
Energy: 0.9224492222917369
Energy: 0.7669715378429168
Energy: 0.7668125860280567
Energy: 0.7981141189340119
Energy: 0.7673943040359416
Energy: 0.7992390228310532
Energy: 0.8932874188308604
Energy: 0.7668709340557702
Energy: 0.7882243307842555
Energy: 0.7628614770761263
Energy: 0.7669560478882042
Energy: 0.7752221533811959
Energy: 0.8656463442756767
Energy: 0.789460558580083
Energy: 0.7984517269985073
Energy: 0.8654070216108655
Energy: 0.7899020385708271
Energy: 0.7983259303951294
Energy: 0.8273795071006584
Energy: 0.7998706710762173
Energy: 0.8243294354284435
Energy: 0.8291119570966343
Energy: 0.9223555732572574
Energy: 0.8246944929702583
Energy: 0.9679322614389707
Energy: 0.7785005990241084
Energy: 0.8004522945585804
Energy: 0.8374106413497995
Energy: 0.7784727786083027
Energy: 0.8008051199389743
Energy: 0.9662826838508909
Energy: 0.8374455244128555
Energy: 0.8393027056140057
Energy: 0.8399377512726603
Energy: 0.842004026014329
Energy: 0.8376355727417999
Energy: 0.7714498458863958
Energy: 0.9103856666267696
Energy: 0.8286579391935865
Energy: 0.7835020033429507
Energy: 0.9103710668742163
Energy: 0.8071928099814153
Energy: 0.9051258527904168
Energy: 0.9105281838478275
Energy: 0.9111705080003404
Energy: 0.839825288503436
Energy: 0.9144237259914841
Energy: 0.9108131944468238
Energy: 0.9721915545185721
Energy: 0.8339492329716837
Energy: 0.8186179908153393
Energy: 0.911952768254449
Energy: 0.9223973307028457
Energy: 0.9106240157987541
Energy: 1.0145174118441787
Energy: 0.8112389696036549
Energy: 0.8421944768335715
Energy: 0.9112262025965137
Energy: 0.8113663000536933
Energy: 0.8422242648684694
Energy: 0.9766933620049724
Energy: 0.9116612715162586
Energy: 0.912329587272765
Energy: 0.9106190341758871
Energy: 0.914158931093604
Energy: 0.899109351634361

minimum gb energy = 0.6948473623254874 eV
minimum distance =  2.23187844581318 Angstroms
sigma value = 81


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

Energy: 0.117158336876732
Energy: 0.12494894182131229
Energy: 0.11767264225521679
Energy: 0.11970712745227206
Energy: 0.1275036542132225
Energy: 0.11766444909239834
Energy: 0.17420123258151204
Energy: 0.12454009124638596
Energy: 0.1250781926833374
Energy: 0.17691099616423472
Energy: 0.12972366535784147
Energy: 0.12531487961929944
Energy: 0.17331860478145836
Energy: 0.11759119465206572
Energy: 0.11769226164719007
Energy: 0.1729071048516401
Energy: 0.11772940487840554
Energy: 0.16734477985657825
Energy: 0.12859790330389648
Energy: 0.11766579078439518
Energy: 0.11744589863552989
Energy: 0.12597344017342268
Energy: 0.11751758981257468
Energy: 0.16810691601997133
Energy: 0.16728911205972
Energy: 0.1731051179694753
Energy: 0.17371987640097672
Energy: 0.1685544223325471
Energy: 0.17411836743131875
Energy: 0.17323440823785755
Energy: 0.11839410958249447
Energy: 0.1257514687885183
Energy: 0.11753826740843708
Energy: 0.1199384561718738
Energy: 0.12478963614899188
Energy: 0.11746630149670312
Energy: 0.17313877394454805
Energy: 0.12519350465883985
Energy: 0.12501665091793626
Energy: 0.17305432762434264
Energy: 0.12436601259411932
Energy: 0.12604152937478552
Energy: 0.17286279966693074
Energy: 0.11774391348767488
Energy: 0.11769581379833749
Energy: 0.17336184210453662
Energy: 0.11743922065655778
Energy: 0.16762602500673351
Energy: 0.12622577476808397
Energy: 0.1179404135777743
Energy: 0.1681905803432902
Energy: 0.1269897943763446
Energy: 0.11758988551311877
Energy: 0.16967290878771202
Energy: 0.11773877741998415
Energy: 0.17348684526550368
Energy: 0.17330107647489187
Energy: 0.1172453958135809
Energy: 0.17270971092797224
Energy: 0.17322979487468304

minimum gb energy = 0.117158336876732 eV
minimum distance =  2.44655435396757 Angstroms
sigma value = 3


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

Energy: 0.9417652910218972
Energy: 0.9032072708423367
Energy: 0.9176748955947719
Energy: 0.8853405533215606
Energy: 0.9032367488364657
Energy: 0.88475557549741
Energy: 0.9282935166004188
Energy: 0.90845644523455
Energy: 0.8995987193582218
Energy: 0.9031698893100583
Energy: 0.9121193856087766
Energy: 0.8980764429619427
Energy: 0.9326070963091733
Energy: 0.8549938633461271
Energy: 0.8547269552773678
Energy: 0.9048556352049985
Energy: 0.8563224515028586
Energy: 0.8852159454664359
Energy: 0.8596628722637586
Energy: 0.8571617756180019
Energy: 0.8547452108593329
Energy: 0.859132952183431
Energy: 0.8750741255150772
Energy: 0.8937915229980358
Energy: 0.8441178220669654
Energy: 0.8995585786038491
Energy: 0.8992329155297094
Energy: 0.8441123126447752
Energy: 0.9127480747488121
Energy: 0.8984846879881098
Energy: 0.8467331303898371
Energy: 0.8948845495932605
Energy: 0.8598913816670453
Energy: 0.8290132702544423
Energy: 0.8938831041446306
Energy: 0.8287699043726637
Energy: 0.8587013700655062
Energy: 0.8497019334021888
Energy: 0.8503018799049546
Energy: 0.8588031460633718
Energy: 0.7985172872062092
Energy: 0.8506591130660464
Energy: 0.8601683509957289
Energy: 0.8322860685397125
Energy: 0.8319707483420555
Energy: 0.8606093809706503
Energy: 0.801954972951482
Energy: 0.8319972437734968
Energy: 0.8587620692387269
Energy: 0.8315847471030285
Energy: 0.8658384704758905
Energy: 0.8666061491894413
Energy: 0.8511093763348733
Energy: 0.8666585125715969
Energy: 0.8565679293122583
Energy: 0.7979714344112759
Energy: 0.7975326103805646
Energy: 0.8564698482746453
Energy: 0.8007126052293934
Energy: 0.8131998244171946
Energy: 0.823458791254167
Energy: 0.8368158677998954
Energy: 0.8368941482271076
Energy: 0.8051105019474722
Energy: 0.8263767562554224
Energy: 0.8049072160232182
Energy: 0.7513116500185482
Energy: 0.8385070747154391
Energy: 0.8377310558965957
Energy: 0.751199953200946
Energy: 0.8321360897851765
Energy: 0.7506478266443081
Energy: 0.7525591869280697
Energy: 0.7896358224778603
Energy: 0.808973943963566
Energy: 0.7526519939146883
Energy: 0.7896285774132705
Energy: 0.8094478486471675
Energy: 0.8050188598121651
Energy: 0.8270636522584917
Energy: 0.8083226407801234
Energy: 0.8082475518575678
Energy: 0.7771984021162721
Energy: 0.8114196623802619
Energy: 0.806797695590887
Energy: 0.720137850503197
Energy: 0.7199190285549162
Energy: 0.805474503480221
Energy: 0.7226874678809116
Energy: 0.7200415558495223
Energy: 0.8060444314337724
Energy: 0.7920976545426461
Energy: 0.7947706298799013
Energy: 0.7925300663823036
Energy: 0.7979182626043826
Energy: 0.7950600504447645
Energy: 0.7054741220565102
Energy: 0.7943710473873169
Energy: 0.7930177710947722
Energy: 0.7053391382742448
Energy: 0.7933216568575336
Energy: 0.7054222352310552
Energy: 0.7065324792363832
Energy: 0.787408000903817
Energy: 0.7875593703136784
Energy: 0.7065258547932551
Energy: 0.7871411692872343
Energy: 0.7872395126659278
Energy: 0.7943106139719186
Energy: 0.7941746118064673
Energy: 0.7870964520045285
Energy: 0.7872479398160085
Energy: 0.7646082044868968
Energy: 0.787360172384103
Energy: 0.7957973814399798
Energy: 0.7054357917076667
Energy: 0.7052543177940179
Energy: 0.7972726183559645
Energy: 0.7059044557959675
Energy: 0.7059750117055664
Energy: 0.7964753603827014
Energy: 0.7921848853036463
Energy: 0.7948885120921171
Energy: 0.7945058353278355
Energy: 0.8056001985413412
Energy: 0.79275698057214
Energy: 0.7214474178974595
Energy: 0.7925110881668377
Energy: 0.795031639650309
Energy: 0.7205543105912665
Energy: 0.8131646148568281
Energy: 0.7200251045159844
Energy: 0.7211063503441035
Energy: 0.8081628209488598
Energy: 0.8083625338636911
Energy: 0.7211658692355516
Energy: 0.8083037378869042
Energy: 0.8086414585486076
Energy: 0.811869937700032
Energy: 0.753037277103398
Energy: 0.8096567867114068
Energy: 0.7969074954865693
Energy: 0.7526361751516482
Energy: 0.7965545731602143
Energy: 0.8277470936263472
Energy: 0.7513206280741683
Energy: 0.7511874720861507
Energy: 0.8289868023395949
Energy: 0.7516309630039534
Energy: 0.7512723334617606
Energy: 0.8288602840587722
Energy: 0.8172134410188924
Energy: 0.8168729359750813
Energy: 0.8291088571808449
Energy: 0.7923873061982433
Energy: 0.8367086692328648
Energy: 0.8009093801117655
Energy: 0.8168359696414025
Energy: 0.8165869377510947
Energy: 0.801385142047583
Energy: 0.8359245994104894
Energy: 0.8142275011278547
Energy: 0.7674937709394261
Energy: 0.8652411813213448
Energy: 0.8648860056237705
Energy: 0.7673965743175004
Energy: 0.864818394437576
Energy: 0.8645739993579807
Energy: 0.8326910914720024
Energy: 0.8509885267628177
Energy: 0.8512589423088701
Energy: 0.8136017652509421
Energy: 0.8604478377440153
Energy: 0.8130475648205104
Energy: 0.8500665808000132
Energy: 0.8507747419830156
Energy: 0.8497478122427294
Energy: 0.8501367869424556
Energy: 0.8618678459168732
Energy: 0.8659422457985579
Energy: 0.8985597566709329
Energy: 0.8461923022782656
Energy: 0.8460836227488177
Energy: 0.8984769096744852
Energy: 0.810465639693002
Energy: 0.8460894512943795
Energy: 0.9415347878127694
Energy: 0.8452779634351205
Energy: 0.8709885500794591
Energy: 0.9128118770590391
Energy: 0.8166115653033836
Energy: 0.8986156666109097
Energy: 0.8158403663689422
Energy: 0.8588838552195762
Energy: 0.8589391850096741
Energy: 0.815969309175234
Energy: 0.8634625498567602
Energy: 0.8696030283896313

minimum gb energy = 0.7052543177940179 eV
minimum distance =  2.22615151350377 Angstroms
sigma value = 67


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

Energy: 1.0607128195172757
Energy: 1.1039667544109826
Energy: 1.0274496598463931
Energy: 0.9969763589888566
Energy: 1.1041668423315052
Energy: 1.0233320866729596
Energy: 1.078962893169754
Energy: 1.0469456127319618
Energy: 1.0398618240197643
Energy: 1.0415123038417216
Energy: 1.0417349992738956
Energy: 1.0249462895688626
Energy: 1.085393277218994
Energy: 0.9813023596607733
Energy: 1.021362350053609
Energy: 1.0425958669075015
Energy: 0.9811930357317921
Energy: 1.0211434398983148
Energy: 1.041988076040034
Energy: 1.0211511004691536
Energy: 1.0215955115598474
Energy: 1.0421220179180977
Energy: 1.0184145861844907
Energy: 1.0217261564496827
Energy: 0.9763604163557946
Energy: 1.0299489778463014
Energy: 1.024373721336916
Energy: 0.9764938310588839
Energy: 1.0454368353598655
Energy: 1.024781284874735
Energy: 0.9694018783454473
Energy: 1.0245682519158263
Energy: 0.9817111390151231
Energy: 0.9825641715731683
Energy: 1.0222609719029183
Energy: 0.9821663396364095
Energy: 0.9769751665006795
Energy: 0.9649924992772352
Energy: 1.0246643586836766
Energy: 0.977365438536855
Energy: 0.9648372953230494
Energy: 0.9601664773936598
Energy: 0.979845593856463
Energy: 0.9592406173018937
Energy: 0.9597890399691821
Energy: 0.9794951966055673
Energy: 0.959443557344566
Energy: 0.9848364706697393
Energy: 0.9724544348244692
Energy: 0.9840462181162395
Energy: 0.9836088214839181
Energy: 0.9839298813852089
Energy: 0.905241594574806
Energy: 0.988660727417791
Energy: 0.977006508925224
Energy: 0.9072190626090367
Energy: 0.906695707361705
Energy: 0.9783584538574288
Energy: 0.9095632057086402
Energy: 0.9299890794103474
Energy: 0.9742595017998338
Energy: 0.9610429442173973
Energy: 0.9606545033545099
Energy: 0.9604212666976005
Energy: 0.9538749232274513
Energy: 0.9606737655222564
Energy: 0.8733687466622037
Energy: 0.9627775120338548
Energy: 0.962548653996095
Energy: 0.8729724535408574
Energy: 0.9640595984893061
Energy: 0.8716702317446792
Energy: 0.8721252175927072
Energy: 0.9491031156821711
Energy: 0.9510079275009058
Energy: 0.8719264697818141
Energy: 0.9482900801339662
Energy: 0.9103788360729508
Energy: 0.9497010435517428
Energy: 0.9468354524052217
Energy: 0.9512901016663887
Energy: 0.947822920076636
Energy: 0.9507062164237533
Energy: 0.9505071995932128
Energy: 0.9498423605405071
Energy: 0.8746937201042349
Energy: 0.87336266188426
Energy: 0.951347985397174
Energy: 0.8739835709427642
Energy: 0.8730950472211073
Energy: 0.9516354078949049
Energy: 0.9611624063024412
Energy: 0.9656517530301616
Energy: 0.9650038960777356
Energy: 0.9734172451108096
Energy: 0.9616802703864693
Energy: 0.9067146241193723
Energy: 0.944923531842447
Energy: 0.9510055698208534
Energy: 0.9068646137463375
Energy: 0.9444275518009414
Energy: 0.931575110251142
Energy: 0.9083271224533164
Energy: 0.985735194777444
Energy: 0.9863311304960226
Energy: 0.9073066477992459
Energy: 0.9841420825334319
Energy: 0.9674926479089331
Energy: 0.9503912530271246
Energy: 0.9835043057844396
Energy: 0.9717031546088248
Energy: 0.9716669252659695
Energy: 0.9710901267963611
Energy: 0.9717567275869021
Energy: 0.9641716012602598
Energy: 0.9664151830723942
Energy: 0.9615168207936196
Energy: 0.9642371687620789
Energy: 0.9814038821717838
Energy: 0.9603927249930215
Energy: 1.025890702770181
Energy: 0.9892758468620284
Energy: 0.9877184715182602
Energy: 1.026244578183086
Energy: 0.9965853170529471
Energy: 0.9871765336733974
Energy: 1.0851071951544191
Energy: 0.9699427499523505
Energy: 0.9883141729757119
Energy: 1.0416323285272386
Energy: 0.9703579086003263
Energy: 0.9872841791683638
Energy: 1.0181361872812855
Energy: 1.041353467267761
Energy: 1.040710099368926
Energy: 1.0185308070977201
Energy: 1.044239041168695
Energy: 1.0243500645660883

minimum gb energy = 0.8716702317446792 eV
minimum distance =  2.26894830846849 Angstroms
sigma value = 33


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

Energy: 1.2200086798808
Energy: 1.2187766026926383
Energy: 1.2123860388239707
Energy: 1.093009696907429
Energy: 1.2189598912160335
Energy: 1.0951218250649677
Energy: 1.1865887790784728
Energy: 1.1230752524148913
Energy: 1.1240616521725906
Energy: 1.1236749651719475
Energy: 1.1253331151136572
Energy: 1.1023746256733313
Energy: 1.1795022049377926
Energy: 1.098460989547473
Energy: 1.0989794777468562
Energy: 1.1216941172942057
Energy: 1.098325299019491
Energy: 1.098646908899653
Energy: 1.1229943230251662
Energy: 1.0980988583094198
Energy: 1.0987528892589717
Energy: 1.1232682518150958
Energy: 1.1352886664026467
Energy: 1.0988727764564283
Energy: 1.0525737119787306
Energy: 1.1219227387933923
Energy: 1.1016523022516787
Energy: 1.0527214550334247
Energy: 1.1256868242373015
Energy: 1.1016321768067328
Energy: 1.0981157240667991
Energy: 1.1035210382103287
Energy: 1.1054180700179184
Energy: 1.0599816416237657
Energy: 1.1030681380306715
Energy: 1.060398852449459
Energy: 1.0536462051368534
Energy: 1.1011038229836634
Energy: 1.102177481133106
Energy: 1.0537660620313654
Energy: 1.1026405949508356
Energy: 1.0348237268393836
Energy: 1.0534789915844422
Energy: 1.0630262795714311
Energy: 1.062783881185839
Energy: 1.0543168181696687
Energy: 1.0632422633550214
Energy: 1.0340844386038823
Energy: 1.0487609718256399
Energy: 1.0618264488999944
Energy: 1.0618205972991246
Energy: 1.063484842146752
Energy: 1.04125504200482
Energy: 1.0639581749472204
Energy: 1.0483412693647076
Energy: 0.9913181925955652
Energy: 0.9907257514378509
Energy: 1.0499579509709518
Energy: 0.9917288314841732
Energy: 0.9902197699490636
Energy: 1.0479671232469883
Energy: 1.0578020689879506
Energy: 1.0589614868035
Energy: 1.0609722263305026
Energy: 1.025448756802714
Energy: 1.0603263593339192
Energy: 0.9894901804905684
Energy: 1.0570640544190655
Energy: 1.0577982153123406
Energy: 0.9894931080278107
Energy: 1.0534543237277336
Energy: 0.9891618803412755
Energy: 0.9890989676222481
Energy: 1.0618526934298258
Energy: 1.0639448794566968
Energy: 0.9890293348289588
Energy: 1.0642645932174406
Energy: 0.9894818063717906
Energy: 1.0578016748931582
Energy: 1.0646731681094348
Energy: 1.0646596146854626
Energy: 0.9722265964046738
Energy: 1.0483433677236733
Energy: 1.0542797197756963
Energy: 1.0628972027190249
Energy: 1.0563060299130747
Energy: 1.0335241664898231
Energy: 1.0642707241790568
Energy: 1.054693607276698
Energy: 1.032368360443815
Energy: 1.1043626858701439
Energy: 1.0585382848288547
Energy: 1.0594677956450798
Energy: 1.1049004860264142
Energy: 1.0729814191937401
Energy: 1.102469831079354
Energy: 1.1802182325836799
Energy: 1.0615263742326133
Energy: 1.059587871142531
Energy: 1.121677435536367
Energy: 1.0578415536735377
Energy: 1.0586638251907798
Energy: 1.1883711406604736
Energy: 1.1240095285601996
Energy: 1.122220782999994
Energy: 1.1244775980326893
Energy: 1.1234727521679317
Energy: 1.110799966191373
Energy: 1.1340202852051373
Energy: 1.1220626826899007
Energy: 1.139203056595635
Energy: 1.05945890175881
Energy: 1.1219306547532268
Energy: 1.0565480098571294
Energy: 1.0963841865379877
Energy: 1.1226065821622178
Energy: 1.1225428587338306
Energy: 1.0967115196143233
Energy: 1.1260813985465354
Energy: 1.103324268399639
Energy: 1.179956581666449
Energy: 1.098189264689597
Energy: 1.0987394931472463
Energy: 1.1221938234376114
Energy: 1.0970735063003292
Energy: 1.0987117679771539
Energy: 1.1229096171768702
Energy: 1.0985238432490636
Energy: 1.0991847963774677
Energy: 1.1228812706425908
Energy: 1.0980974917305826
Energy: 1.0985710364434813
Energy: 1.0534093404789344
Energy: 1.1229809645983169
Energy: 1.1026413932378933
Energy: 1.0532635698934085
Energy: 1.1247294759580613
Energy: 1.1024439446386278
Energy: 1.097825170103481
Energy: 1.1036115423632322
Energy: 1.104540180625927
Energy: 1.059967553536976
Energy: 1.1034600903930187
Energy: 1.06198742967718
Energy: 1.0536510404006065
Energy: 1.1060505431815937
Energy: 1.10225806957036
Energy: 1.0535490572821908
Energy: 1.1427498163849255
Energy: 1.0877595839915346
Energy: 1.0534012052105806
Energy: 1.0630362659434187
Energy: 1.0626524740609307
Energy: 1.053521853916901
Energy: 1.0628659640537461
Energy: 1.034033092648994
Energy: 1.047403190283737
Energy: 1.0619531854067872
Energy: 1.0629604709291518
Energy: 1.0506641800297956
Energy: 1.041678213386153
Energy: 1.063972363979641
Energy: 1.0477445170885926
Energy: 0.9909532779678153
Energy: 0.9908431886851934
Energy: 1.0495711138838004
Energy: 0.9917828118456206
Energy: 0.9903934035154286
Energy: 1.049562839988985
Energy: 1.0468734231871324
Energy: 1.0575336067773538
Energy: 0.9901453070188538
Energy: 1.0253422146374371
Energy: 1.0576782921913845
Energy: 0.9889433216886242
Energy: 1.0573600239473508
Energy: 1.0574744404970124
Energy: 0.9890360442038674
Energy: 1.0552185713510234
Energy: 1.0577772094538858
Energy: 0.9921118392096854
Energy: 1.0652180833629536
Energy: 1.0406068741838466
Energy: 0.9927368160142832
Energy: 1.0634033488081738
Energy: 0.9898814035720582
Energy: 1.0578616587437182
Energy: 1.0643692959892783
Energy: 1.0644835062106592
Energy: 1.053199407337299
Energy: 1.048904116623257
Energy: 1.0538346634414435
Energy: 1.0577287734535494
Energy: 1.0556584744353419
Energy: 1.0341034512555476
Energy: 1.0575090444518114
Energy: 1.0553947817992144
Energy: 1.0328047389510178
Energy: 1.1031464157063007
Energy: 1.0665054628243602
Energy: 1.1031974744376136
Energy: 1.1046072351346417
Energy: 1.0028178296726187
Energy: 1.1030840138456086
Energy: 1.1777722243406603
Energy: 1.0618519324579383
Energy: 1.0584105879916925
Energy: 1.1227225866724464
Energy: 1.0508206886613964
Energy: 1.0582935002760325
Energy: 1.1881192295220409
Energy: 1.1237607739374245
Energy: 1.1026975000894885
Energy: 1.1236867942442703
Energy: 1.124916087370711
Energy: 1.101833709100099
Energy: 1.1341485701312795
Energy: 1.122377262326989
Energy: 1.137622735717134
Energy: 1.059971361412205
Energy: 1.1224266899423831
Energy: 1.0568673232715027

minimum gb energy = 0.9722265964046738 eV
minimum distance =  2.2772218957214 Angstroms
sigma value = 41


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

Energy: 1.306433097623275
Energy: 1.286889594786826
Energy: 1.3162734822394946
Energy: 1.2425435316614213
Energy: 1.5601743440940705
Energy: 1.3074024442652832
Energy: 1.3136577632980573
Energy: 1.2406314408460448
Energy: 1.2357596607187435
Energy: 1.2364353405299047
Energy: 1.2368948682933452
Energy: 1.2376974574981967
Energy: 1.3233265083780539
Energy: 1.228259542555512
Energy: 1.2282510865145015
Energy: 1.2411540542514878
Energy: 1.1809048514548932
Energy: 1.229078461057121
Energy: 1.237871117179368
Energy: 1.2278005859695225
Energy: 1.2280303256974632
Energy: 1.2391149396807135
Energy: 1.2162844444041971
Energy: 1.2386443895680492
Energy: 1.1816399559610125
Energy: 1.2431012775946046
Energy: 1.2360923749034154
Energy: 1.1817894281526085
Energy: 1.2399232349065277
Energy: 1.2345316472012293
Energy: 1.2112591338128105
Energy: 1.2346960481727796
Energy: 1.2343159369252747
Energy: 1.1765711212866938
Energy: 1.2175789361483542
Energy: 1.2346337732263315
Energy: 1.1801361837019528
Energy: 1.2402086015681613
Energy: 1.2398236014379251
Energy: 1.1806249554006423
Energy: 1.238851299241411
Energy: 1.179165684521859
Energy: 1.1814504787695703
Energy: 1.2171651649299742
Energy: 1.1791660580807906
Energy: 1.1795630556475776
Energy: 1.1815152085667524
Energy: 1.179888477865915
Energy: 1.176343643023314
Energy: 1.2197019050456224
Energy: 1.2161758168284809
Energy: 1.1775352818933582
Energy: 1.1840544563749968
Energy: 1.215155574102768
Energy: 1.2182349477637255
Energy: 1.1857845629186083
Energy: 1.1774485288018672
Energy: 1.2207036874318244
Energy: 1.180757869173663
Energy: 1.1794860119360242
Energy: 1.2168333142082965
Energy: 1.24424530302479
Energy: 1.2376701724187853
Energy: 1.218625251117241
Energy: 1.2007646813418114
Energy: 1.2358227970542122
Energy: 1.316310587073685
Energy: 1.208976084376229
Energy: 1.2085139348573666
Energy: 1.2395765920786805
Energy: 1.2202841622171874
Energy: 1.2081508937417564
Energy: 1.3158461171232412
Energy: 1.2460353118512169
Energy: 1.2285966619594093
Energy: 1.237872709520542
Energy: 1.2429421398181015
Energy: 1.2360704262532598
Energy: 1.2413076607832263
Energy: 1.237919546126379
Energy: 1.244960535065967
Energy: 1.1387522890466322
Energy: 1.2373122047464449
Energy: 1.2442000772989428

minimum gb energy = 1.1387522890466322 eV
minimum distance =  2.26037496368886 Angstroms
sigma value = 11


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

Energy: 1.834245586430175
Energy: 1.4205751098114328
Energy: 1.396183286984589
Energy: 1.4901186031139835
Energy: 1.3532448627438856
Energy: 1.4542404599200207
Energy: 1.481360531153597
Energy: 1.3333561356787917
Energy: 1.3316377078181731
Energy: 1.334120955330346
Energy: 1.3349065425487863
Energy: 1.3267888744167238
Energy: 1.4809575750180421
Energy: 1.335275466352126
Energy: 1.3371320428120845
Energy: 1.462242006240021
Energy: 1.3363124783508449
Energy: 1.3441516505856073
Energy: 1.3366495791887518
Energy: 1.3360717935961164
Energy: 1.3425703025094498
Energy: 1.3361788544090523
Energy: 1.3351202245978997
Energy: 1.343127754224884
Energy: 1.3339572039276761
Energy: 1.324102919088066
Energy: 1.3328414722494752
Energy: 1.3338839109368086
Energy: 1.3254812492013832
Energy: 1.3488152290944038
Energy: 1.3347493305181881
Energy: 1.3395979304245118
Energy: 1.3551733011449496
Energy: 1.3433195564506828
Energy: 1.3250944269458478
Energy: 1.349695491320865
Energy: 1.3594150636351732
Energy: 1.3506629252716578
Energy: 1.3502158604040708
Energy: 1.3448422936818767
Energy: 1.3407920288357824
Energy: 1.3525050817274507
Energy: 1.343072210095766
Energy: 1.342428938195114
Energy: 1.3484242420195682
Energy: 1.3244721627534264
Energy: 1.344150918215357
Energy: 1.3335614963701756
Energy: 1.3408026577619816
Energy: 1.3361071482103775
Energy: 1.3434033478260146
Energy: 1.3342884912198674
Energy: 1.3381933003813793
Energy: 1.3436721818141253
Energy: 1.3407681183846982
Energy: 1.3365399119757457
Energy: 1.3439077155589028
Energy: 1.3317781906499215
Energy: 1.3382998922264626
Energy: 1.3434441072245096
Energy: 1.3603184396996284
Energy: 1.3364079755152452
Energy: 1.3552735209561297
Energy: 1.3367467138626452
Energy: 1.3274060933658285
Energy: 1.3326637342257883
Energy: 1.335261509701949
Energy: 1.3291419396688033
Energy: 1.3287212495679903
Energy: 1.3353400437642282
Energy: 1.3376612106663957
Energy: 1.3284820712952197
Energy: 1.3363210884164471
Energy: 1.3332820214578263
Energy: 1.3342469900906482
Energy: 1.3364514562434624
Energy: 1.333362293431292
Energy: 1.330733416260155
Energy: 1.3317589136193864
Energy: 1.3374618683439063
Energy: 1.335592176443547
Energy: 1.3403548237359812
Energy: 1.4630699975305008
Energy: 1.3342977322351226
Energy: 1.3269321812616006
Energy: 1.3347308370618303
Energy: 1.3345054483329002
Energy: 1.3273477723056673
Energy: 1.335438022683381
Energy: 1.3409842830439729
Energy: 1.321341989498363
Energy: 1.3420497530738067
Energy: 1.3419165282974403
Energy: 1.3223462149656557
Energy: 1.3441113820731279
Energy: 1.3376247303554833
Energy: 1.3204148314422053
Energy: 1.3472283525797564
Energy: 1.350446188130085
Energy: 1.3207173683550115
Energy: 1.3295719852423968
Energy: 1.3501505936364886
Energy: 1.3219060950031196
Energy: 1.3821192328726593
Energy: 1.367613277490362
Energy: 1.3584076948218646
Energy: 1.3978401601415484
Energy: 1.3422514617741352
Energy: 1.326825143603477
Energy: 1.321936588204975
Energy: 1.323570047221075
Energy: 1.3276414220264299
Energy: 1.3219540000795647
Energy: 1.3419428650077008
Energy: 1.325251819280973
Energy: 1.339060445190279
Energy: 1.3379509852388398
Energy: 1.325803197496748
Energy: 1.3394989261925934
Energy: 1.3208738802353293
Energy: 1.3973345336272607
Energy: 1.3420917843028688
Energy: 1.3358344758622218
Energy: 1.324778189929814
Energy: 1.3420551764685864
Energy: 1.32105358282824
Energy: 1.3548062040600208
Energy: 1.3215631732141584
Energy: 1.3208864166444934
Energy: 1.3314978118629575
Energy: 1.3242587064757094
Energy: 1.3262496888929325
Energy: 1.3692345417074532
Energy: 1.326319003529144
Energy: 1.3297015371904992
Energy: 1.335443076460405
Energy: 1.3263327047350204
Energy: 1.3297118441935503
Energy: 1.3959602476611581
Energy: 1.3282426172795847
Energy: 1.3395644740353985
Energy: 1.3213464716176222
Energy: 1.3195442643660107
Energy: 1.3234735732302192
Energy: 1.396869710169827
Energy: 1.3413012004253648
Energy: 1.3329031992824458
Energy: 1.3987426902470614
Energy: 1.3492252232756456
Energy: 1.3308182668664943
Energy: 1.3422844149261528
Energy: 1.3430908698197577
Energy: 1.3429086173336755
Energy: 1.3297148488820547
Energy: 1.3423961371406365
Energy: 1.3502264266428277
Energy: 1.3399538492315524
Energy: 1.321035943927797
Energy: 1.3392586315305262
Energy: 1.3423051460247537
Energy: 1.3230531131801575
Energy: 1.3415086486620162
Energy: 1.3396889022217826
Energy: 1.3573911310315356
Energy: 1.342012920993616
Energy: 1.3456725885339356
Energy: 1.3443733990260935
Energy: 1.34295290583862
Energy: 1.3542129869391142
Energy: 1.3375179271270632
Energy: 1.323566161347533
Energy: 1.4819501717161128
Energy: 1.3440047381373117
Energy: 1.3218704568016628
Energy: 1.4810413801168665
Energy: 1.3360068478719886
Energy: 1.326598728739536
Energy: 1.334013867801757
Energy: 1.336359842205215
Energy: 1.3258441480118823
Energy: 1.3914371334357265
Energy: 1.3368982362645174
Energy: 1.3188975246745458
Energy: 1.340068974821003
Energy: 1.3365268084912076
Energy: 1.3187902634294573

minimum gb energy = 1.3187902634294573 eV
minimum distance =  2.20425197741717 Angstroms
sigma value = 57


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

Energy: 1.6669932683032973
Energy: 1.3642473585544732
Energy: 1.4339042988181094
Energy: 1.4684987047956806
Energy: 1.3635285827631116
Energy: 1.434041750693639
Energy: 1.4358734153755908
Energy: 1.364892798485125
Energy: 1.3634394362352629
Energy: 1.3613029424623555
Energy: 1.3644416986268393
Energy: 1.3929884089280997
Energy: 1.4338515242339867
Energy: 1.3761592172332067
Energy: 1.3749764136279647
Energy: 1.4348139609410402
Energy: 1.3422009911095445
Energy: 1.3648748704223335
Energy: 1.362793911359816
Energy: 1.3668595797074226
Energy: 1.391748742520102
Energy: 1.3636158249488657
Energy: 1.3449700331498273
Energy: 1.401386676423472
Energy: 1.36094869124127
Energy: 1.3664149290927838
Energy: 1.3626177799412695
Energy: 1.3617832719290124
Energy: 1.3651562512091489
Energy: 1.3933473808248056
Energy: 1.3656618026787797
Energy: 1.424614727517172
Energy: 1.4231636222654351
Energy: 1.3657760214067414
Energy: 1.4196923137421216
Energy: 1.3866032220291016
Energy: 1.4153455102947006
Energy: 1.3235509367791878
Energy: 1.3251292090203866
Energy: 1.4164993734315199
Energy: 1.3308012945048713
Energy: 1.4240758239231182
Energy: 1.4159538840614208
Energy: 1.3639932303638942
Energy: 1.3854249780692756
Energy: 1.3660569963912172
Energy: 1.3631358435321221
Energy: 1.3994267320340177
Energy: 1.3791865398157905
Energy: 1.3997069574573306
Energy: 1.3300834732022093
Energy: 1.3265610929262202
Energy: 1.3953376936881803
Energy: 1.3319860392494927
Energy: 1.3788727790389324
Energy: 1.3636375840598318
Energy: 1.3239067383574024
Energy: 1.3268716542170393
Energy: 1.3639406408551569
Energy: 1.3235129374971402
Energy: 1.4333870212657223
Energy: 1.3634421813798012
Energy: 1.373394083750167
Energy: 1.3660409021330744
Energy: 1.365418452276759
Energy: 1.3996098689292105
Energy: 1.3639683848231876
Energy: 1.3437304012662734
Energy: 1.3739929868678107
Energy: 1.3626340035670113
Energy: 1.3425110187071614
Energy: 1.3643546887983162
Energy: 1.363051531042488
Energy: 1.3641582320476702
Energy: 1.3653972925065925
Energy: 1.3634334868033313
Energy: 1.3631871629188688
Energy: 1.3894744645915407
Energy: 1.36421157107975
Energy: 1.365354576169145
Energy: 1.3634136543532174
Energy: 1.3754330651595998
Energy: 1.4175241914582661
Energy: 1.36495390051479
Energy: 1.3634711560361046
Energy: 1.3238547995170782
Energy: 1.3841903510952538
Energy: 1.3631124083048267
Energy: 1.3266913050909006
Energy: 1.3879599633152242
Energy: 1.4323710158284049
Energy: 1.3231905875919077
Energy: 1.3240107511442876
Energy: 1.433618835077777
Energy: 1.3276017712109944
Energy: 1.3797127411194692
Energy: 1.378667254888067
Energy: 1.361799612227937
Energy: 1.3637716003856328
Energy: 1.3788051837107254
Energy: 1.3615789159115113
Energy: 1.3960075704597477

minimum gb energy = 1.3231905875919077 eV
minimum distance =  2.23634758680118 Angstroms
sigma value = 9


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

Energy: 2.0669724661401174
Energy: 1.4332668132747304
Energy: 1.4403394853351668
Energy: 1.4408884342019959
Energy: 1.4338233652659813
Energy: 1.4343721803396294
Energy: 1.467595474977344
Energy: 1.4260301432792466
Energy: 1.4103817394470854
Energy: 1.4108459161550984
Energy: 1.4231130757846235
Energy: 1.4108214655881024
Energy: 1.5002650090392706
Energy: 1.4034206567617045
Energy: 1.406677994010546
Energy: 1.470682272008551
Energy: 1.4176451119231968
Energy: 1.4093912696117654
Energy: 1.4283993690031869
Energy: 1.407570194406426
Energy: 1.4043937054322153
Energy: 1.4296905983032968
Energy: 1.4126211673089115
Energy: 1.4043248847273955
Energy: 1.4118269174632616
Energy: 1.3955669889931916
Energy: 1.3949699811024638
Energy: 1.4151268117900915
Energy: 1.4093627395007295
Energy: 1.3947294795506067
Energy: 1.414885059166
Energy: 1.4006426512246268
Energy: 1.3972083397923512
Energy: 1.4156606830278768
Energy: 1.407037830988184
Energy: 1.3993552594318848
Energy: 1.4193674012495947
Energy: 1.3964996282230462
Energy: 1.4114269429432147
Energy: 1.420097196267666
Energy: 1.3968487022726401
Energy: 1.4138294566618546
Energy: 1.4798183509334584
Energy: 1.4056329908383254
Energy: 1.400198561462864
Energy: 1.4195501643040411
Energy: 1.3976528832495199
Energy: 1.4006405734293088
Energy: 1.5166113549526825
Energy: 1.3979235414080438
Energy: 1.400359048221726
Energy: 1.4243134561001258
Energy: 1.3947146023709165
Energy: 1.4026019262901026
Energy: 1.524529261097079
Energy: 1.3986963506923151
Energy: 1.3990597791207895
Energy: 1.4241922411273593
Energy: 1.3956843045492757
Energy: 1.4016506731094216
Energy: 1.4975824874167374
Energy: 1.4050435185611587
Energy: 1.4009057840121348
Energy: 1.3947975636025896
Energy: 1.4147685509648609
Energy: 1.4033719448924786
Energy: 1.487545577526932
Energy: 1.406590940419655
Energy: 1.4081551183716317
Energy: 1.4059436262934766
Energy: 1.413791568893456
Energy: 1.411398860755334
Energy: 1.5429031309607797
Energy: 1.4515024852840595
Energy: 1.450275624224714
Energy: 1.401722264822595
Energy: 1.4587793076786624
Energy: 1.3986238174569627
Energy: 1.5327264528255922
Energy: 1.4106221973902402
Energy: 1.404924886129592
Energy: 1.5385212956564798
Energy: 1.492009793498488
Energy: 1.404029956677156
Energy: 1.4810441531135572
Energy: 1.403129423795553
Energy: 1.399971593663082
Energy: 1.4042615869110615
Energy: 1.3977345087482047
Energy: 1.3964078230782777
Energy: 1.45658343662716
Energy: 1.4056931989228343
Energy: 1.4013319254908658
Energy: 1.4269267416609066
Energy: 1.41502297817176
Energy: 1.3970305844455886
Energy: 1.4839476574669928
Energy: 1.4088283756558284
Energy: 1.405906673874357
Energy: 1.4835120661621242
Energy: 1.4158867801951558
Energy: 1.404710721242074
Energy: 1.5038333387375993
Energy: 1.47162009353959
Energy: 1.4707824403763734
Energy: 1.4170218124745273
Energy: 1.4714824120865893
Energy: 1.4715187886992458
Energy: 1.4977060074113642
Energy: 1.4089707913429088
Energy: 1.406361186495066
Energy: 1.494609357815846
Energy: 1.4311854356665714
Energy: 1.4058813347761767
Energy: 1.4978138868473438
Energy: 1.408245004839057
Energy: 1.4055243085042781
Energy: 1.4650954111676024
Energy: 1.420335088768888
Energy: 1.4055606660702997
Energy: 1.481869694098197
Energy: 1.4227280368421904
Energy: 1.4233434438785413
Energy: 1.4192130950827113
Energy: 1.4050405023381427
Energy: 1.4238517198134324

minimum gb energy = 1.3947146023709165 eV
minimum distance =  2.18442296084148 Angstroms
sigma value = 27


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

Energy: 1.9135423975126726
Energy: 2.039390514121317
Energy: 1.365251834589038
Energy: 1.3643615478916833
Energy: 2.0401629004875272
Energy: 1.3647438005885273
Energy: 1.5813709552167077
Energy: 1.382928931532889
Energy: 1.3830469769369858
Energy: 1.3614421874255604
Energy: 1.3822153919639992
Energy: 1.367414220653305
Energy: 1.4421197228165448
Energy: 1.3779678535366056
Energy: 1.3714390397651792
Energy: 1.3761178916991357
Energy: 1.3479514453844947
Energy: 1.3689806763493324
Energy: 1.4318116308994944
Energy: 1.379282632813705
Energy: 1.3756825450612535
Energy: 1.3846737815919195
Energy: 1.3786771842257302
Energy: 1.3753921208191529
Energy: 1.3462960082071078
Energy: 1.3710630598303828
Energy: 1.3684991819496544
Energy: 1.347458826482462
Energy: 1.3679098747195346
Energy: 1.3668615674599338
Energy: 1.404587518033455
Energy: 1.3720967259010362
Energy: 1.369431211155224
Energy: 1.3798651602978966
Energy: 1.3704675322883249
Energy: 1.36888193268936
Energy: 1.4167630628622114
Energy: 1.3684386430433861
Energy: 1.3704897215171625
Energy: 1.3987917616854901
Energy: 1.3643710752784715
Energy: 1.370870500274998
Energy: 1.4619188495591402
Energy: 1.3686153781556902
Energy: 1.3728628957877234
Energy: 1.4158996801281154
Energy: 1.3682495166146829
Energy: 1.3727534086071425
Energy: 1.5855361443042046
Energy: 1.378115969377347
Energy: 1.3779807504953343
Energy: 1.3714920545688403
Energy: 1.3742948633883436
Energy: 1.3751013085661394
Energy: 1.5848776683492674
Energy: 1.3889279590466586
Energy: 1.391322962952222
Energy: 1.3731645794694238
Energy: 1.42567353556448
Energy: 1.38982214636943
Energy: 1.463310563348462
Energy: 1.3701236232084661
Energy: 1.3683621672054251
Energy: 1.4149086149611323
Energy: 1.3507894837026002
Energy: 1.3939050712287266
Energy: 1.4649638957922235
Energy: 1.3775740718261495
Energy: 1.3798461644464617
Energy: 1.4301448727489054
Energy: 1.3778105206780145
Energy: 1.3800537132280646
Energy: 1.4620022521982605
Energy: 1.3834529879457689
Energy: 1.3812259366266302
Energy: 1.3764190710748585
Energy: 1.3841780290273475
Energy: 1.3809663541821091
Energy: 1.4591158230648793
Energy: 1.3791817436840605
Energy: 1.3771122968020868
Energy: 1.3809974257626074
Energy: 1.3826344747162989
Energy: 1.377294317272647
Energy: 1.459563998471922
Energy: 1.3879589335691365
Energy: 1.3893102575563834
Energy: 1.428844689351224
Energy: 1.384274779557449
Energy: 1.3939988788134152
Energy: 1.4322453638478312
Energy: 1.3899394009113475
Energy: 1.3720441704509878
Energy: 1.4095586397659448
Energy: 1.3811811001406538
Energy: 1.3877395757570397
Energy: 1.35228902596307
Energy: 1.4006473899809257
Energy: 1.4031239095098886
Energy: 1.3531169566407977
Energy: 1.3998089531375617
Energy: 1.3787698905579295
Energy: 1.3984541315380177
Energy: 1.3805098561922093
Energy: 1.3775881354280308
Energy: 1.3684219383909015
Energy: 1.3699564774218942
Energy: 1.3767367744442314
Energy: 1.436092604913007
Energy: 1.367705646077106
Energy: 1.3662410315060152
Energy: 1.3969455016882653
Energy: 1.364162760687119
Energy: 1.3666651811385913
Energy: 1.4251989575267037
Energy: 1.3680955311407819
Energy: 1.3661555527568328
Energy: 1.3783249002977842
Energy: 1.3643762450359034
Energy: 1.366672054836996
Energy: 1.5904257588072068
Energy: 1.3779785704263954
Energy: 1.3781281598780168
Energy: 1.3715899795523694
Energy: 1.4039903840367962
Energy: 1.3768860364832103
Energy: 1.3468789694268066
Energy: 1.3703353475386528
Energy: 1.373161626885106
Energy: 1.3463463566783933
Energy: 1.36979165387358
Energy: 1.3719060890557304
Energy: 1.4399853318549052
Energy: 1.3889580786385833
Energy: 1.3699679553387647
Energy: 1.3684638382821925
Energy: 1.385593081073102
Energy: 1.3683781567609983
Energy: 1.542667609547216
Energy: 1.3773258930017263
Energy: 1.3727472151027307
Energy: 1.370812833280328
Energy: 1.369355927421158
Energy: 1.3712979690481812
Energy: 1.4959178726818827
Energy: 1.3646356484964697
Energy: 1.4894529626017758
Energy: 1.3567597748487152
Energy: 1.3753693409773797
Energy: 1.36158245762277

minimum gb energy = 1.3462960082071078 eV
minimum distance =  2.19108257591466 Angstroms
sigma value = 19


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

Energy: 2.048373917220183
Energy: 1.5181134395142641
Energy: 1.3749450626606514
Energy: 1.2828709163196605
Energy: 1.4828647945887292
Energy: 1.3751681447622424
Energy: 1.4210707324288172
Energy: 1.3349854278784388
Energy: 1.3369963488843308
Energy: 1.3303413991648336
Energy: 1.3356347518604683
Energy: 1.337112304982299
Energy: 1.4208773885500925
Energy: 1.3296388433077548
Energy: 1.3336241692310227
Energy: 1.3370341237463164
Energy: 1.3233500397508742
Energy: 1.3356794349303285
Energy: 1.4038585762796472
Energy: 1.335260593754055
Energy: 1.3359872917776012
Energy: 1.3337493047628302
Energy: 1.3258222055124733
Energy: 1.3357950000145622
Energy: 1.336342233021826
Energy: 1.3350691328310544
Energy: 1.3425679063974711
Energy: 1.343500778291801
Energy: 1.3370074621949977
Energy: 1.3394674767489112
Energy: 1.3612162807259847
Energy: 1.3379243549585729
Energy: 1.336452488615074
Energy: 1.3266645873117207
Energy: 1.3510814467440977
Energy: 1.3529638720447026
Energy: 1.4060179738172838
Energy: 1.317268717536314
Energy: 1.3317536410354756
Energy: 1.3720329728065548
Energy: 1.3168838218434533
Energy: 1.2778430889176766
Energy: 1.3917555975886058
Energy: 1.330145218714995
Energy: 1.3350391174141647
Energy: 1.3365680029532356
Energy: 1.3315962282130567
Energy: 1.336548537000497
Energy: 1.317157554915667
Energy: 1.3354142533054394
Energy: 1.336397642326176
Energy: 1.3188414826555164
Energy: 1.3448996207810724
Energy: 1.3334613276785017
Energy: 1.3275069879988493
Energy: 1.3308914616295067
Energy: 1.331693152576748
Energy: 1.3235197175407138
Energy: 1.332893217572118
Energy: 1.3310579356797858
Energy: 1.3937415405617202
Energy: 1.310008631506356
Energy: 1.316999422913388
Energy: 1.3616710489798856
Energy: 1.3002171750845997
Energy: 1.3204344916232482
Energy: 1.438663104869548
Energy: 1.320334488967675
Energy: 1.324476639154505
Energy: 1.3248857317672307
Energy: 1.2874537493554838
Energy: 1.3382373627686581
Energy: 1.3945224110474894
Energy: 1.3391846398975766
Energy: 1.3201235646409903
Energy: 1.2798720403083406
Energy: 1.3335367911927618
Energy: 1.3160605564743755
Energy: 1.4759942457463768
Energy: 1.3346863586156332
Energy: 1.3363736374371968
Energy: 1.2796972513427924
Energy: 1.3323087219001797
Energy: 1.3342956573561902
Energy: 1.4378737368233516
Energy: 1.3118658763961808
Energy: 1.3175964135104996
Energy: 1.3474454062523014
Energy: 1.2850915813006163
Energy: 1.323202365755222
Energy: 1.4374864346937217
Energy: 1.3208313392360551
Energy: 1.3210265180840128
Energy: 1.3171205108671928
Energy: 1.2890708260609398
Energy: 1.3229061803083109
Energy: 1.3573189287144196
Energy: 1.3234691482360752
Energy: 1.3196593686830385
Energy: 1.2865388824790682
Energy: 1.3231105729585058
Energy: 1.3106491697739473
Energy: 1.4326725651727295
Energy: 1.3225652557577574
Energy: 1.3237425128835005
Energy: 1.2757756697687082
Energy: 1.3232082214564915
Energy: 1.3218397400408117
Energy: 1.437572415687726
Energy: 1.2802767665948684
Energy: 1.3180758381665951
Energy: 1.3388983003850539
Energy: 1.2794875283352622
Energy: 1.3230374199860473
Energy: 1.3916469219255785
Energy: 1.2803812057121968
Energy: 1.319210506966675
Energy: 1.3229836768088346
Energy: 1.2793746859893467
Energy: 1.322592907978305
Energy: 1.2897516148504722
Energy: 1.32220779835848
Energy: 1.3230151412818083
Energy: 1.285492038790819
Energy: 1.3229432382607398
Energy: 1.3199555493589104
Energy: 1.3007544473601134
Energy: 1.3130034828574075
Energy: 1.313366705726842
Energy: 1.2903036506827246
Energy: 1.3214213404718116
Energy: 1.3233667572753318
Energy: 1.3897576667007514
Energy: 1.2727521405351
Energy: 1.3059408601251936
Energy: 1.3323932863365266
Energy: 1.2707881787820317
Energy: 1.3219202744083542
Energy: 1.421140998839993
Energy: 1.2734174817436625
Energy: 1.3186849434081416
Energy: 1.3905552817575337
Energy: 1.2711459703819559
Energy: 1.3205517791867856
Energy: 1.4034836590710762
Energy: 1.3230634509291737
Energy: 1.3228176638574594
Energy: 1.2852229537615703
Energy: 1.33515131649629
Energy: 1.3267821482664794
Energy: 1.3476525545542037
Energy: 1.32274838817645
Energy: 1.3253324572804346
Energy: 1.3140604772624163
Energy: 1.324205850567843
Energy: 1.32240874458314
Energy: 1.4219175728606845
Energy: 1.3344656619492976
Energy: 1.3327232270560143
Energy: 1.331668376870186
Energy: 1.3310103681537957
Energy: 1.3338632199259792
Energy: 1.422593813199204
Energy: 1.3309694151889981
Energy: 1.3360949699283138
Energy: 1.344449720605178
Energy: 1.322875110624975
Energy: 1.3375223897818018
Energy: 1.4270919836465816
Energy: 1.3363470046282184
Energy: 1.3359871578037004
Energy: 1.2700201825200372
Energy: 1.3800885524586375
Energy: 1.3163972551166665

minimum gb energy = 1.2700201825200372 eV
minimum distance =  2.20740142617474 Angstroms
sigma value = 101


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

Energy: 1.8901952865306342
Energy: 1.2523160556787727
Energy: 1.280413970949783
Energy: 1.2069244592522557
Energy: 1.252658265935211
Energy: 1.2071946322523683
Energy: 1.398787639861245
Energy: 1.2530073217488928
Energy: 1.2864444342866879
Energy: 1.253914573194102
Energy: 1.2857236155475156
Energy: 1.28391446305127
Energy: 1.3980652934050979
Energy: 1.2534824600263181
Energy: 1.268679799215871
Energy: 1.3175518789357505
Energy: 1.2493752949745622
Energy: 1.277319458117427
Energy: 1.3572620747080142
Energy: 1.2705889267386692
Energy: 1.2859635178519624
Energy: 1.288394374287604
Energy: 1.2539847766596448
Energy: 1.2856140451133538
Energy: 1.2646049589584716
Energy: 1.318180885092164
Energy: 1.3096151370564868
Energy: 1.268498949478159
Energy: 1.2762932895534875
Energy: 1.2852405607747683
Energy: 1.3134150560918245
Energy: 1.286735338721432
Energy: 1.28641724157228
Energy: 1.2579570662981787
Energy: 1.286580771937927
Energy: 1.2863061592943832
Energy: 1.3009839050189578
Energy: 1.2485945028295464
Energy: 1.2335781724120338
Energy: 1.3263938304798832
Energy: 1.248599916439748
Energy: 1.2340140913064928
Energy: 1.254620455413051
Energy: 1.2542091651684701
Energy: 1.2671349290736202
Energy: 1.277345250558107
Energy: 1.2628711443472438
Energy: 1.2718884532559895
Energy: 1.239995986026475
Energy: 1.2707104217091059
Energy: 1.26965955659329
Energy: 1.242007786262324
Energy: 1.3117392918191877
Energy: 1.2693326053787315
Energy: 1.246013773944963
Energy: 1.285153029780893
Energy: 1.2850281942071853
Energy: 1.240021827550679
Energy: 1.2851952992399347
Energy: 1.284435239622357
Energy: 1.3431803405250455
Energy: 1.204254708419177
Energy: 1.2042012025426405
Energy: 1.2674193359837131
Energy: 1.2092722054769651
Energy: 1.2054041344881905
Energy: 1.402615277118523
Energy: 1.288913152924507
Energy: 1.284744314207407
Energy: 1.2867736652065427
Energy: 1.2614362628839646
Energy: 1.2844258290012822
Energy: 1.298028877136023
Energy: 1.3141540052610583
Energy: 1.2850518783587805
Energy: 1.236628332489156
Energy: 1.3165547882358015
Energy: 1.2801244836255459
Energy: 1.3006056354703752
Energy: 1.2866114512644278
Energy: 1.2886085230710063
Energy: 1.2341319628141458
Energy: 1.286498619424525
Energy: 1.2866976699784605
Energy: 1.4002662083298318
Energy: 1.253138414884036
Energy: 1.2493179478503347
Energy: 1.3201471450289897
Energy: 1.2483862865040523
Energy: 1.2794465037273335
Energy: 1.3979524427230494
Energy: 1.2525218024957414
Energy: 1.2869286784178402
Energy: 1.285989991778086
Energy: 1.2525875725985858
Energy: 1.286089563836479
Energy: 1.3280325197761402
Energy: 1.281712531618891
Energy: 1.2792775720879221
Energy: 1.2057475458766465
Energy: 1.348423040649876
Energy: 1.2029064381014618
Energy: 1.4665057590199175
Energy: 1.268605557831719
Energy: 1.2680198900700814
Energy: 1.2890427577578114
Energy: 1.268034151070084
Energy: 1.2822957021058232
Energy: 1.3977665248633115
Energy: 1.2518018356233134
Energy: 1.2668258183354597
Energy: 1.3095942175329225
Energy: 1.2520741652947198
Energy: 1.270155665211159
Energy: 1.3637210866049163
Energy: 1.2525095291415833
Energy: 1.270591175744078
Energy: 1.2693751877522168
Energy: 1.2525995992885604
Energy: 1.268271044001658
Energy: 1.2665034117272866
Energy: 1.268838991035562
Energy: 1.270716700692764
Energy: 1.2689986257163215
Energy: 1.2710557774200597
Energy: 1.2911795539431505
Energy: 1.3127304825609758
Energy: 1.2526167996526243
Energy: 1.2872270082147341
Energy: 1.2534288210358664
Energy: 1.2528310883602465
Energy: 1.285951744134468
Energy: 1.3665432114449496
Energy: 1.233590242160569
Energy: 1.233404881588811
Energy: 1.2519111700141001
Energy: 1.2386125114785227
Energy: 1.2565009471507111
Energy: 1.344960541743271
Energy: 1.2342168142179832
Energy: 1.257674742056999
Energy: 1.252343082574883
Energy: 1.2335295509532929
Energy: 1.2695653808646181
Energy: 1.2461789428506778
Energy: 1.2527490847907563
Energy: 1.2667058601395014
Energy: 1.2427769210404536
Energy: 1.2713007814771546
Energy: 1.2705057445658197
Energy: 1.2405020064400258
Energy: 1.2907981859843944
Energy: 1.2867341309301523
Energy: 1.2425658915899511
Energy: 1.2868315404539883
Energy: 1.285532294454349
Energy: 1.3512327820884695
Energy: 1.2051373435961856
Energy: 1.2048818959714376
Energy: 1.2604612062346106
Energy: 1.2093627460822671
Energy: 1.2064651149652965
Energy: 1.4012785388920768
Energy: 1.2062924459525948
Energy: 1.208544154030551
Energy: 1.315457661037386
Energy: 1.205737832677834
Energy: 1.2876456489413135
Energy: 1.299759160359176
Energy: 1.276667664241617
Energy: 1.2820754452752026
Energy: 1.2341601908839286
Energy: 1.3311879923351715
Energy: 1.2817892816356855
Energy: 1.2990673489991515
Energy: 1.2765781935776024
Energy: 1.2842340580901055
Energy: 1.2375388330895913
Energy: 1.278843462681857
Energy: 1.2804618876274225
Energy: 1.399523545379313
Energy: 1.2620655251884492
Energy: 1.2787569531353147
Energy: 1.2813795881914711
Energy: 1.2579815956921994
Energy: 1.285007172909578
Energy: 1.3975158688653746
Energy: 1.2518470553803267
Energy: 1.254099669284809
Energy: 1.2522642898313732
Energy: 1.2399966417924524
Energy: 1.2723418850069792
Energy: 1.3259142546956593
Energy: 1.2715147091929764
Energy: 1.2796986929611531
Energy: 1.203279969339187
Energy: 1.2522984102141774
Energy: 1.288815104747172

minimum gb energy = 1.2029064381014618 eV
minimum distance =  2.19486657794207 Angstroms
sigma value = 33


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

Energy: 0.020204830674287303
Energy: 1.3109748800283734
Energy: 0.02081296814124557
Energy: 0.022612181384861256
Energy: 1.3120125459972565
Energy: 0.02075379365364843
Energy: 0.581536224429322
Energy: 0.16535767666792872
Energy: 0.16289055050482812
Energy: 0.16291063588138524
Energy: 0.1629531222888364
Energy: 0.16242345732554989
Energy: 1.7364222125900262
Energy: 1.3143304885704175
Energy: 1.3125290953976938
Energy: 1.3093322929943796
Energy: 1.3116993680102895
Energy: 1.3119421680869245
Energy: 0.02216202632656812
Energy: 0.165357676668397
Energy: 0.16289055050435983
Energy: 0.16291063588414284
Energy: 0.16295312229024123
Energy: 0.16242345732601815

minimum gb energy = 0.020204830674287303 eV
minimum distance =  2.45530403492808 Angstroms
sigma value = 1