Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973
cohesive_energy=4.427798539389678
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0950862754501e-19, 2.94308632429362e-19, 3.5815216694099394e-19, 4.0977109373520595e-19, 4.5295135619814e-19, 4.898046231334079e-19, 5.216558946173279e-19, 5.49412002624744e-19, 5.73718624339158e-19, 5.950660258105739e-19, 6.13830718547982e-19, 6.30309105228672e-19, 6.44746318877646e-19, 6.573426315741539e-19, 6.68264669688132e-19, 6.776518225867379e-19, 6.856306622240579e-19, 6.92302125728034e-19, 6.977591393434381e-19, 7.020818119019699e-19, 7.053438435287939e-19, 7.076061169360019e-19, 7.089263104824179e-19, 7.0935569382033e-19, 7.08894266949738e-19, 7.074042426801179e-19, 7.04706177228462e-19, 7.00582174572546e-19, 6.947774886275639e-19, 6.869845014797879e-19, 6.76836314680032e-19, 6.63881114417508e-19, 6.475757628132899e-19, 6.272537543876339e-19, 6.020899681740299e-19, 5.71059011126718e-19, 5.3287593758523e-19, 4.859161404426899e-19, 4.28099994428166e-19, 3.5673904714980596e-19, 2.68314918719346e-19, 1.58158065336993e-19, 1.9964562818610598e-20, -1.5491862440070838e-19, -3.7862638214687997e-19, -6.685706854252259e-19, -1.05045909919893e-18, -1.563456831286122e-18, -2.2693390061639397e-18, -3.2702828364890998e-18, -4.74696097474788e-18, -6.990376762973698e-18, -8.06833722409524e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.0225496501540919 eV

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

Energy: 0.01801026841177691
Energy: 0.018625983750352407
Energy: 0.018439768700280926
Energy: 0.018307638365915042
Energy: 2.1844396053725403
Energy: 0.018440605833945824
Energy: 0.018625983750352407
Energy: 0.1570830545231843
Energy: 0.15685278696509958
Energy: 1.9599345740517813
Energy: 0.15497810065828144
Energy: 0.15664555903187877
Energy: 0.018439768700280926
Energy: 0.15685278696543034
Energy: 0.15612139921738474
Energy: 0.018438331443165652
Energy: 0.155044026147893
Energy: 0.1557260594292887
Energy: 0.018307638365915042
Energy: 1.9599345745095222
Energy: 0.018438331443496415
Energy: 0.018306529024630768
Energy: 0.15503097703956745
Energy: 0.018495221499363772
Energy: 2.1844396053298722
Energy: 0.15497810065828144
Energy: 0.155044026147893
Energy: 0.15503097703923668
Energy: 0.15481191063441338
Energy: 0.15499443134647947
Energy: 0.01844060583361506
Energy: 0.15664555903059244
Energy: 0.15572605942862713
Energy: 0.018495221499694535
Energy: 0.15499443134714097
Energy: 0.018236265234829966

minimum gb energy = 0.01801026841177691 eV
minimum distance =  2.48668317110903 Angstroms
sigma value = 1


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

Energy: 1.7766510948270184
Energy: 1.2000199298501242
Energy: 1.186105890759681
Energy: 1.195249696311212
Energy: 2.73073402438449
Energy: 1.1861213729183417
Energy: 1.8269053094990613
Energy: 1.2165802925576996
Energy: 1.1521186634052025
Energy: 1.1445145617762496
Energy: 1.2144418788619247
Energy: 1.1598519127179021
Energy: 1.8516154445204882
Energy: 1.150611390094427
Energy: 1.1033581837419204
Energy: 1.12017865868845
Energy: 1.2141788443804291
Energy: 1.121557476645772
Energy: 1.8754568033441323
Energy: 1.1351471231180579
Energy: 1.1205770357983535
Energy: 1.121257254092148
Energy: 1.152227330970122
Energy: 1.1208037070431114
Energy: 1.7063532917062005
Energy: 1.1812881771425165
Energy: 1.1815901942055131
Energy: 1.1863592975298936
Energy: 1.180948529849927
Energy: 1.1624330278267683
Energy: 1.65909095490044
Energy: 1.1653659852682914
Energy: 1.16081036701512
Energy: 1.162854139377711
Energy: 1.1812873339462546
Energy: 1.1629889462043008
Energy: 1.655477182034505
Energy: 1.1607932727210557
Energy: 1.162447745063791
Energy: 1.1624954448602312
Energy: 1.1607634908293847
Energy: 1.1639773695382205
Energy: 1.627192429545434
Energy: 1.182652702946415
Energy: 1.1817903082804853
Energy: 1.1475984365582694
Energy: 1.1799177538848786
Energy: 1.16352966347682
Energy: 1.3062907950015594
Energy: 1.163928846113559
Energy: 1.1630071240658464
Energy: 1.180585088587756
Energy: 1.1603322611885747
Energy: 1.1609785738381877
Energy: 1.3056239160329282
Energy: 1.1869256344518535
Energy: 1.1857877141541773
Energy: 1.180497813739588
Energy: 1.1884266598970814
Energy: 1.184957713049697
Energy: 1.4684724001857918
Energy: 1.1333669168512541
Energy: 1.13381911946056
Energy: 1.2435030795214634
Energy: 1.133705858951242
Energy: 1.1030924588196338
Energy: 1.2154597128027107
Energy: 1.1208234339786782
Energy: 1.1217265295316763
Energy: 1.2155993877604374
Energy: 1.109163503696397
Energy: 1.1216706341196723
Energy: 1.213814503459005
Energy: 1.1607137031192765
Energy: 1.1596736009649067
Energy: 1.2139923028896886
Energy: 1.1237539871257074
Energy: 1.142692283810943
Energy: 1.2324464487003606
Energy: 1.1211458674872836
Energy: 1.1206363619212154
Energy: 1.1862292769032037
Energy: 1.1212287440901918
Energy: 1.1218062455571893
Energy: 1.230214906717958
Energy: 1.1854255516178833
Energy: 1.1837622961037342
Energy: 1.192191740716995
Energy: 1.1665604159559906
Energy: 1.1734702297643242
Energy: 1.2314236873027085
Energy: 1.1215655019164263
Energy: 1.1210456967977978
Energy: 1.1929256123300638
Energy: 1.121093977310742
Energy: 1.1212287058006778
Energy: 1.4505809633182836
Energy: 1.1610120728305753
Energy: 1.1606351594483302
Energy: 1.1212776205111676
Energy: 1.1612224499148558
Energy: 1.1214732154444536
Energy: 1.452072258855054
Energy: 1.1635057913034759
Energy: 1.1834669693000015
Energy: 1.1830747154434713
Energy: 1.1603016476824597
Energy: 1.1826413251686656
Energy: 1.4513148734180321
Energy: 1.1833005038171545
Energy: 1.182254120517786
Energy: 1.1825921568942288
Energy: 1.185626806768436
Energy: 1.1834223002481625
Energy: 1.6983432260761588
Energy: 1.1839155065763036
Energy: 1.1833562330639584
Energy: 1.1859425944658957
Energy: 1.1860757468702583
Energy: 1.182981674803134
Energy: 1.76631882387542
Energy: 1.1217954922064282
Energy: 1.133500490846908
Energy: 1.133573348950975
Energy: 1.1602864266378012
Energy: 1.1339316635033667
Energy: 1.7637198652295025
Energy: 1.1430635012428294
Energy: 1.1214547756077178
Energy: 1.1337629150178692
Energy: 1.1948192498889267
Energy: 1.1213976422787142
Energy: 1.827549086658743
Energy: 1.19182470875619
Energy: 1.1626632483372872
Energy: 1.133988763441453
Energy: 1.191541784873824
Energy: 1.1835729605477494

minimum gb energy = 1.1030924588196338 eV
minimum distance =  2.28207608371333 Angstroms
sigma value = 33


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

Energy: 1.9395011843382572
Energy: 1.16740827116164
Energy: 1.1674540294526483
Energy: 1.1673727086307248
Energy: 2.2671345329220522
Energy: 1.167264110414676
Energy: 1.3911374820032965
Energy: 1.1998275720729794
Energy: 1.1509589998815288
Energy: 1.161791365139915
Energy: 1.2000743588506708
Energy: 1.166603762755279
Energy: 1.6564661680622985
Energy: 1.2001190535004476
Energy: 1.1999322417853824
Energy: 1.160060439493
Energy: 1.200053117438393
Energy: 1.151437709921884
Energy: 1.6524915802701203
Energy: 1.2000014417182707
Energy: 1.1518027032835838
Energy: 1.1646799860422203
Energy: 1.2012617741255227
Energy: 1.1643650873034062
Energy: 1.5287232149834025
Energy: 1.2141534430443859
Energy: 1.213119179995117
Energy: 1.2144444159930954
Energy: 1.2149569818297352
Energy: 1.181463053142703
Energy: 1.6555429899948906
Energy: 1.1639151197966258
Energy: 1.1618788852599227
Energy: 1.1683591742791994
Energy: 1.2142483278682157
Energy: 1.1613923084404478
Energy: 1.6543697579932601
Energy: 1.1619543907205367
Energy: 1.1693570292070279
Energy: 1.1683791168605844
Energy: 1.1622548506784465
Energy: 1.1686359146282292
Energy: 1.526943220233537
Energy: 1.2119703063076592
Energy: 1.2086004658082048
Energy: 1.221998224540271
Energy: 1.20731507754175
Energy: 1.208647882649071
Energy: 1.2915422461197248
Energy: 1.2067551211340095
Energy: 1.1616550319288077
Energy: 1.213933369025744
Energy: 1.2069003995885683
Energy: 1.2157264390021103
Energy: 1.291904231607621
Energy: 1.2131058333142195
Energy: 1.2132451731837088
Energy: 1.213051801766731
Energy: 1.2133252813384834
Energy: 1.2216471440037142
Energy: 1.3505038048070555
Energy: 1.084427582204177
Energy: 1.084250603805114
Energy: 1.302686696744289
Energy: 1.0845484323022159
Energy: 1.0844364482558622
Energy: 1.1997600448716619
Energy: 1.15894647428504
Energy: 1.161759858301367
Energy: 1.1997583359564612
Energy: 1.1003339705072903
Energy: 1.1520662105758224
Energy: 1.2002302907074245
Energy: 1.212165615540079
Energy: 1.1801176833581624
Energy: 1.2002769406371299
Energy: 1.2132682057086948
Energy: 1.1998718963289403
Energy: 1.3511454400070284
Energy: 1.1646367651854193
Energy: 1.1647574262524278
Energy: 1.1997532267725892
Energy: 1.1647340282664123
Energy: 1.1659223981761009
Energy: 1.2898685705592776
Energy: 1.2134532688158026
Energy: 1.2166933781686533
Energy: 1.2138043961379688
Energy: 1.2135111421500735
Energy: 1.2219038598283243
Energy: 1.2917052746589892
Energy: 1.1604171599260975
Energy: 1.161399822616058
Energy: 1.2139777892792787
Energy: 1.1677840011219913
Energy: 1.161990907496615
Energy: 1.525947156710353
Energy: 1.168794806154499
Energy: 1.1688059970107885
Energy: 1.1114338503282057
Energy: 1.1685470285537705
Energy: 1.1688016094508091
Energy: 1.3899671412402297
Energy: 1.2226629120586632
Energy: 1.1722061100979708
Energy: 1.2071090807667735
Energy: 1.2217870816771115
Energy: 1.2074407757625534
Energy: 1.3901865245740013
Energy: 1.2142123586507134
Energy: 1.2147501870144117
Energy: 1.2068276923321555
Energy: 1.2139476122871407
Energy: 1.1617987381380135
Energy: 1.5252866419903064
Energy: 1.2132264302199354
Energy: 1.2130067953084878
Energy: 1.2149983256201327
Energy: 1.2131667421993333
Energy: 1.1764751457707587
Energy: 1.901639459713229
Energy: 2.148106034690243
Energy: 1.0839343522133837
Energy: 1.0844105617234312
Energy: 1.1518936983440555
Energy: 1.0838978297196549
Energy: 1.8977359918637182
Energy: 1.199787838737253
Energy: 1.1518455034142863
Energy: 1.0847555786404592
Energy: 1.1996657682034064
Energy: 1.168721371365925
Energy: 1.157438654281267
Energy: 1.2000846864908914
Energy: 1.199966255527851
Energy: 1.212878990862533
Energy: 1.200087134343666
Energy: 1.1112426742280122
Energy: 1.664039316932684
Energy: 1.3014837673982855
Energy: 1.1511743313497684
Energy: 1.165723878918703
Energy: 1.301459454349684
Energy: 1.140572805822796
Energy: 1.1571627773125746
Energy: 1.2222169225737163
Energy: 1.2219244141006347
Energy: 1.2126804684653862
Energy: 1.2213107025465035
Energy: 1.169743415393837
Energy: 1.6579685328249705
Energy: 1.2135060613748319
Energy: 1.162258974731119
Energy: 1.1678626230901736
Energy: 1.213002059566742
Energy: 1.1617900502714054
Energy: 1.6532182330506138
Energy: 1.169824101002344
Energy: 1.1690288717802861
Energy: 1.1687712729493849
Energy: 1.113301441795105
Energy: 1.1688479658150597
Energy: 1.5302784694535032
Energy: 1.2066271324639535
Energy: 1.2089037827951095
Energy: 1.214311790258583
Energy: 1.2066823325596456
Energy: 1.1677039838042937
Energy: 1.291283780684956
Energy: 1.2119394674933448
Energy: 1.2083401408520482
Energy: 1.2146720737241274
Energy: 1.206858537095908
Energy: 1.1610823937301302
Energy: 1.2912441341308953
Energy: 1.2123268884704244
Energy: 1.2117266238652076
Energy: 1.2150383328605303
Energy: 1.2138547643653552
Energy: 1.2129444606024873
Energy: 1.5208446626762389
Energy: 1.0840268393116543
Energy: 1.0838925072498884
Energy: 1.1520745548764815
Energy: 1.0841524490691206
Energy: 1.0835796530219963
Energy: 1.1995733376806055
Energy: 1.0846339491548087
Energy: 1.0839507837163325
Energy: 1.1996643828506717
Energy: 1.08456247404024
Energy: 1.1519826742543777
Energy: 1.2008526284931869
Energy: 1.2124083637358276
Energy: 1.1800991689031037
Energy: 1.2005904353008552
Energy: 1.2120981836907898
Energy: 1.2001441253456397
Energy: 1.2003237694884028
Energy: 1.1650000001103553
Energy: 1.165290003946502
Energy: 1.200142523842936
Energy: 1.1650063205019399
Energy: 1.1069334815947005
Energy: 1.2898418234235918
Energy: 1.2120131158071756
Energy: 1.1767579015934915
Energy: 1.165289927803252
Energy: 1.213063344815447
Energy: 1.2215328387120694
Energy: 1.2899267542063493
Energy: 1.1611340933344214
Energy: 1.161229021691882
Energy: 1.2138045281122933
Energy: 1.1528036323169901
Energy: 1.1620814869099687
Energy: 1.2897545570477498
Energy: 1.168676554241559
Energy: 1.168773657236103
Energy: 1.141461023009094
Energy: 1.1686636803690986
Energy: 1.16885657255701
Energy: 1.3900947288372718
Energy: 1.214868700920919
Energy: 1.1625321056625526
Energy: 1.2068069262319456
Energy: 1.2144456149538803
Energy: 1.220736043064205
Energy: 1.3901551430061876
Energy: 1.2134056020341393
Energy: 1.2217113219277755
Energy: 1.2072281888612673
Energy: 1.2132664133185633
Energy: 1.207165988948379
Energy: 1.5258204930032835
Energy: 1.2137161941982304
Energy: 1.2147793768478508
Energy: 1.178102265883071
Energy: 1.2137585317218913
Energy: 1.2129268937659476
Energy: 1.9056103102880027
Energy: 1.151394861495456
Energy: 1.083548848901616
Energy: 1.0847987743673275
Energy: 1.1515177868945685
Energy: 1.0834778267671796

minimum gb energy = 1.0834778267671796 eV
minimum distance =  2.33508181783806 Angstroms
sigma value = 51


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

Energy: 1.8355159126643457
Energy: 1.3343674055971824
Energy: 1.3340307454728177
Energy: 1.222780424195725
Energy: 2.6139143883040026
Energy: 1.2039259858028093
Energy: 1.5112838317696566
Energy: 1.2384757409771738
Energy: 1.2383133971267957
Energy: 1.1963078174800077
Energy: 1.238573778151035
Energy: 1.194863620371103
Energy: 1.6739596070263725
Energy: 1.238746809186173
Energy: 1.2383099118332725
Energy: 1.1735230649604516
Energy: 1.2388154095402315
Energy: 1.1524261583487567
Energy: 1.6702112531217739
Energy: 1.1507997101558571
Energy: 1.1612241904646008
Energy: 1.170890959567263
Energy: 1.2004286109930409
Energy: 1.1575310963535441
Energy: 1.3332792266757327
Energy: 1.2319743852621285
Energy: 1.230909719058252
Energy: 1.2348897789739244
Energy: 1.2338825235151865
Energy: 1.2301271813749948
Energy: 1.4179236452018567
Energy: 1.2363078457639258
Energy: 1.2075063514412514
Energy: 1.234805559231292
Energy: 1.235068262857353
Energy: 1.202735230174211
Energy: 1.4176451158397179
Energy: 1.2388845862933175
Energy: 1.230430267115826
Energy: 1.2349898798548615
Energy: 1.2086277364166484
Energy: 1.2338210421016964
Energy: 1.4370621912019437
Energy: 1.1500503565925426
Energy: 1.1279401776195404
Energy: 1.197821798892217
Energy: 1.1506978864159527
Energy: 1.1277984925066877
Energy: 1.2386932711788865
Energy: 1.1284791815498258
Energy: 1.1289127887614592
Energy: 1.2388387971126544
Energy: 1.151089426025633
Energy: 1.1753086109572624
Energy: 1.2387326844662991
Energy: 1.1830292413742047
Energy: 1.2685886233491026
Energy: 1.238780408431097
Energy: 1.1836167596155671
Energy: 1.238301235144382
Energy: 1.2391360196514
Energy: 1.170889905907567
Energy: 1.1598288958370224
Energy: 1.239075194784179
Energy: 1.1980944049335633
Energy: 1.149122877484154
Energy: 1.267781246123485
Energy: 1.2333179263906324
Energy: 1.2682587744486926
Energy: 1.2014189352880071
Energy: 1.1583438969909983
Energy: 1.2325940818594137
Energy: 1.267525823649678
Energy: 1.1622202707190263
Energy: 1.1631790275949312
Energy: 1.232465579715622
Energy: 1.161995429511225
Energy: 1.193197399211058
Energy: 1.268189783406271
Energy: 1.1732228704066658
Energy: 1.1731289513040453
Energy: 1.1894035008970019
Energy: 1.1733697971327908
Energy: 1.186225752232456
Energy: 1.510225019146988
Energy: 1.1663598507512527
Energy: 1.166558617792241
Energy: 1.1863300095571108
Energy: 1.1662666726475377
Energy: 1.1720239770934782
Energy: 1.5106157703234426
Energy: 1.2329637207505657
Energy: 1.1668746122442026
Energy: 1.1855970991694467
Energy: 1.233174204816138
Energy: 1.1862031399651645
Energy: 1.7041614925841955
Energy: 1.2333181090251017
Energy: 1.232726338759435
Energy: 1.1725100276634774
Energy: 1.2333043809362179
Energy: 1.2325386406198704
Energy: 1.8262439185030643
Energy: 1.192073642362015
Energy: 1.1587404903446992
Energy: 1.1494324565345746
Energy: 1.2387616763649494
Energy: 1.1577711695820936

minimum gb energy = 1.1277984925066877 eV
minimum distance =  2.30010201254568 Angstroms
sigma value = 19


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

Energy: 1.7597670825512435
Energy: 1.2767205781346231
Energy: 1.1324771389124497
Energy: 1.3362947256587459
Energy: 1.8028935224422111
Energy: 1.2764184643158576
Energy: 1.1926844623956225
Energy: 1.1978210969366496
Energy: 1.1619733889306467
Energy: 1.189800266484247
Energy: 1.198114949778332
Energy: 1.1617557027674978
Energy: 1.3093861733566599
Energy: 1.1977724553224707
Energy: 1.1949233252513625
Energy: 1.1992573608241714
Energy: 1.194930895284306
Energy: 1.1979413344801197
Energy: 1.4518688315845254
Energy: 1.3734206401395765
Energy: 1.3061881634579404
Energy: 1.266940865702164
Energy: 1.2767172162443134
Energy: 1.2695159276833798
Energy: 1.3201018233499566
Energy: 1.3734798926170697
Energy: 1.2167929577622694
Energy: 1.1919108692892246
Energy: 1.2692213225899471
Energy: 1.2408055661763946
Energy: 1.2857465190009285
Energy: 1.2276896818946303
Energy: 1.3651310498689275
Energy: 1.3095884140694214
Energy: 1.2278447477119492
Energy: 1.3085858987863386
Energy: 1.323570367064664
Energy: 1.33974425877406
Energy: 1.3236330516153412
Energy: 1.3262735658192606
Energy: 1.2523934524904365
Energy: 1.3009275067217607
Energy: 1.342369406910656
Energy: 1.1279849182986892
Energy: 1.128270815263546
Energy: 1.24415650506543
Energy: 1.07483493447763
Energy: 1.075441348919441
Energy: 1.2915544542993236
Energy: 1.128016097596033
Energy: 1.1283274283172762
Energy: 1.2918760873830843
Energy: 1.0739137678655442
Energy: 1.0823592609212815
Energy: 1.291940008428657
Energy: 1.396242291043511
Energy: 1.2921588188480544
Energy: 1.2538341335826442
Energy: 1.2926580788741093
Energy: 1.2939898529368092
Energy: 1.2919451786627378
Energy: 1.2680651974058657
Energy: 1.267642186239795
Energy: 1.2940106038160677
Energy: 1.2673178516370565
Energy: 1.3004797722492236
Energy: 1.3119966253245596
Energy: 1.4543734777355162
Energy: 1.3389593859541713
Energy: 1.3982559719855114
Energy: 1.3323886751778233
Energy: 1.3188795199405123
Energy: 1.2274969992372833
Energy: 1.4013857319683476
Energy: 1.3996468204261174
Energy: 1.2287856965234611
Energy: 1.4020653950931403
Energy: 1.4145766415550598
Energy: 1.387764030883189
Energy: 1.3925130890159807
Energy: 1.3915517915225628
Energy: 1.376757701618413
Energy: 1.3927037895455663
Energy: 1.3911951963096758
Energy: 1.0619622528771935
Energy: 1.3751426287049184
Energy: 1.3669182358560343
Energy: 1.0734035241815263
Energy: 1.3753608594096984
Energy: 1.0638503877666845
Energy: 1.559117487410201
Energy: 1.375139932792587
Energy: 1.075610796851512
Energy: 1.0737079460517347
Energy: 1.3756177753941348
Energy: 1.075738150110026
Energy: 1.4635742714806397
Energy: 1.3752963474417328
Energy: 1.3755694669620477
Energy: 1.4059571532923654
Energy: 1.3756073578366612
Energy: 1.3750017210346142
Energy: 1.4494093779228285
Energy: 1.3752076909151452
Energy: 1.3755157938042901
Energy: 1.2668383688974583
Energy: 1.3746765464810053
Energy: 1.3753653358378246
Energy: 1.4491325372944799
Energy: 1.2571460232496936
Energy: 1.265217644522543
Energy: 1.2670111724536075
Energy: 1.4044008643811983
Energy: 1.2718472674148429
Energy: 1.4207782028547074
Energy: 1.2279693158248257
Energy: 1.3150664652655413
Energy: 1.4233327676950072
Energy: 1.2276760319622253
Energy: 1.4367724621086118
Energy: 1.3047694322413759
Energy: 1.313700323139706
Energy: 1.2979661493318524
Energy: 1.3467988688595216
Energy: 1.2984323239401943
Energy: 1.3456825199966034
Energy: 1.3191139055047887
Energy: 1.295563167337667
Energy: 1.2953893562637468
Energy: 1.3205900361117053
Energy: 1.2441693817758284
Energy: 1.3198530481238606
Energy: 1.3041557800503767
Energy: 1.0756570536628207
Energy: 1.076606973059554
Energy: 1.3378767798690467
Energy: 1.128264208845625
Energy: 1.1293990197148656
Energy: 1.2992312570423155
Energy: 1.2849692254800076
Energy: 1.2971587740878026
Energy: 1.2997791740113331
Energy: 1.128201198503161
Energy: 1.2991150024432643
Energy: 1.299114669944862
Energy: 1.2963114633754043
Energy: 1.2960790395385062
Energy: 1.2987576728506658
Energy: 1.2964935290215194
Energy: 1.2989319990959067
Energy: 1.5961693714372907
Energy: 1.2669089532395736
Energy: 1.267070616394154
Energy: 1.153582005677587
Energy: 1.2670710844164033
Energy: 1.3739769014161822
Energy: 1.1880597272099385
Energy: 1.4052734686215613
Energy: 1.2017074395351277
Energy: 1.1811064845259946
Energy: 1.3215443882254347
Energy: 1.4213965625021392
Energy: 1.2265313817022505
Energy: 1.2620117854523296
Energy: 1.1868965810634295
Energy: 1.227572817823031
Energy: 1.186186370174731
Energy: 1.1820859650296318
Energy: 1.2767495359752612
Energy: 1.236130989563375
Energy: 1.2037111505271765
Energy: 1.1996974694241158
Energy: 1.235805623968481
Energy: 1.2347677804078652
Energy: 1.202161350532802
Energy: 1.7612308001498032
Energy: 1.0620117727769336
Energy: 1.0739318906021749
Energy: 1.1622381721433865
Energy: 1.2006668116651114

minimum gb energy = 1.0619622528771935 eV
minimum distance =  2.2801892277098 Angstroms
sigma value = 27


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

Energy: 1.3345319366468906
Energy: 1.3447579996157648
Energy: 1.342482106747301
Energy: 1.1858615598059326
Energy: 2.4749873113045084
Energy: 1.342351731675197
Energy: 1.0671339845638694
Energy: 1.1423021721734121
Energy: 1.1425711593347134
Energy: 1.061938668345852
Energy: 1.1423348054320779
Energy: 1.0943848526673576
Energy: 1.203431294350196
Energy: 1.14288572718806
Energy: 1.1432178508286515
Energy: 1.0586044931472292
Energy: 1.1438477394527233
Energy: 1.0937274084467854
Energy: 1.06768594760396
Energy: 1.1436450058035201
Energy: 1.0872489740873836
Energy: 1.0595986720199277
Energy: 1.1431304222945153
Energy: 1.0570527119789124
Energy: 1.3361547018650384
Energy: 0.9933749217385837
Energy: 1.056345912055791
Energy: 1.1437054764496937
Energy: 0.9928912639409261
Energy: 1.0567302779843268
Energy: 1.1421846640233972
Energy: 0.9939534162380759
Energy: 0.9944302821621358
Energy: 1.142198292855476
Energy: 0.9936278904497226
Energy: 0.9944176215943902
Energy: 1.1438780526552803
Energy: 1.0570890144337883
Energy: 1.0950517869761727
Energy: 1.1439587384604373
Energy: 1.0576133703219348
Energy: 1.1425530780570845
Energy: 1.142843083948051
Energy: 1.0523913723185148
Energy: 1.0524426768081476
Energy: 1.1428592919773728
Energy: 1.052826293348692
Energy: 1.0533773853377437
Energy: 1.2037321040950038
Energy: 1.0522807049413274
Energy: 1.0937825374573034
Energy: 1.1424211512012108
Energy: 1.0535163502581502
Energy: 1.093663320879139
Energy: 1.2053680967335694
Energy: 1.0852923998966215
Energy: 1.083546660388928
Energy: 1.0853236475190025
Energy: 1.0858210051995776
Energy: 1.0840909170942594
Energy: 1.2033461440423514
Energy: 1.0865653378861355
Energy: 1.0889277083603233
Energy: 1.0853313051388687
Energy: 1.1364715351525505
Energy: 1.0867794567248172
Energy: 1.3355011701803885
Energy: 1.0950233464748382
Energy: 1.0937278258004075
Energy: 1.0605812083708681
Energy: 1.0862849150770961
Energy: 1.0943802577117128

minimum gb energy = 0.9928912639409261 eV
minimum distance =  2.32003490868362 Angstroms
sigma value = 9


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

Energy: 2.1086010661637915
Energy: 1.1886335031931567
Energy: 1.2477353883653772
Energy: 1.143328612471731
Energy: 2.9207268636658212
Energy: 1.2451522310095917
Energy: 1.4185983780202047
Energy: 0.9901656317213664
Energy: 0.9882389939236115
Energy: 0.9806340015214556
Energy: 0.9907689548841
Energy: 0.9797940159105325
Energy: 1.0286494085786575
Energy: 0.9913026548151669
Energy: 0.9904305052872087
Energy: 1.002279008549228
Energy: 0.9921650694255694
Energy: 0.9938348689608854
Energy: 1.0303874350141138
Energy: 0.9668189660692419
Energy: 0.9768475335560004
Energy: 0.9856479868283069
Energy: 0.983138748125536
Energy: 0.9589831289661206
Energy: 1.4294409827548733
Energy: 0.9790124519472737
Energy: 0.9795328972050567
Energy: 1.0182174481310982
Energy: 1.0067617075800754
Energy: 1.0049502172612126
Energy: 1.017948633356305
Energy: 0.8976059118826508
Energy: 0.979281983784171
Energy: 1.0183840654490854
Energy: 0.8975772248906922
Energy: 0.9835098455055217
Energy: 1.019393798894724
Energy: 0.9665394785607406
Energy: 0.9663977935123594
Energy: 1.0195619894588168
Energy: 0.9657900204388729
Energy: 1.017978678807937
Energy: 1.0184729815683773
Energy: 0.9537911799196096
Energy: 0.9666440853620937
Energy: 1.018503812422532
Energy: 0.9523175261680915
Energy: 1.0387131526300781
Energy: 1.4522423197720407
Energy: 1.0018221500848803
Energy: 1.0289680856918024
Energy: 1.0142946050600854
Energy: 1.0081048771277272
Energy: 1.0488400980021837
Energy: 0.9523326009250428
Energy: 1.001582678027891
Energy: 0.9831016450272269
Energy: 0.9722309399949447
Energy: 1.0128812006148074
Energy: 0.9472414689102497
Energy: 0.9524636983756017
Energy: 1.0185940434986127
Energy: 1.0438418852192906
Energy: 1.0021757064668761
Energy: 1.0185020446888065
Energy: 0.9937061777072715
Energy: 1.4359964020217477
Energy: 1.0186077634295394
Energy: 1.0182885957648062
Energy: 0.983268024031444
Energy: 1.018620218150712
Energy: 1.0059131028885806
Energy: 1.0353357582756657
Energy: 1.0607554137343975
Energy: 1.2255645031681643
Energy: 0.9723837720251997
Energy: 1.1487572196485556
Energy: 1.0028210637608894
Energy: 1.4361377533805053
Energy: 1.0180709209746244
Energy: 1.0018948909668004
Energy: 0.9829240366850756
Energy: 1.0182739930816025
Energy: 1.0073138069830176
Energy: 0.9897348093287999
Energy: 0.9962876615089354
Energy: 0.9979685571923097
Energy: 0.9894439681609641
Energy: 0.996567800809578
Energy: 0.969852225492425
Energy: 0.9903976821867014
Energy: 0.9566589562248261
Energy: 0.9750489102750912
Energy: 0.9914490218392092
Energy: 1.0078784923428517
Energy: 1.0084218773168623
Energy: 0.989984432642464
Energy: 0.9642645491161623
Energy: 0.9646273422964222
Energy: 0.9903158715518661
Energy: 0.9813639314641731
Energy: 0.9666133313019741
Energy: 1.185613771785734
Energy: 0.9676751665935769
Energy: 0.96583334703716
Energy: 0.9898665529148042
Energy: 0.9707073845887118
Energy: 0.9903582763502196
Energy: 1.0296611101892295
Energy: 0.9815966783633815
Energy: 0.9611913938608583
Energy: 0.9898955918001466
Energy: 0.98040142449828
Energy: 0.9907218101604607
Energy: 1.0300341574540997
Energy: 0.9802509857287877
Energy: 0.9593614539146129
Energy: 0.9786237955574494
Energy: 0.9785675774666003
Energy: 0.9390370818094558
Energy: 1.0290616750608108
Energy: 0.9809111079792854
Energy: 0.967348690732447
Energy: 0.9772759114399867
Energy: 0.980554009085021
Energy: 0.9375247417343163
Energy: 1.4534779220544063
Energy: 2.5800407001920225
Energy: 1.0214543035108912
Energy: 1.0082530819688058
Energy: 0.9899692201683643
Energy: 0.9869034340004809
Energy: 1.4543175557073003
Energy: 0.9903273078589437
Energy: 1.01601713697958
Energy: 1.0082568690690579
Energy: 0.9903943679190389
Energy: 0.9446147479848866
Energy: 1.0288993562711168
Energy: 0.9911431603435662
Energy: 0.9908749828844995
Energy: 1.0139957759603617
Energy: 0.9919177366860171
Energy: 0.996025242294696
Energy: 1.347021256345966
Energy: 0.9661374965936778
Energy: 0.9685802141695198
Energy: 0.9556210356307586
Energy: 0.9899075361830184
Energy: 1.0203602389767967
Energy: 1.2772071845380828
Energy: 0.9837597141105182
Energy: 1.0076184808383737
Energy: 1.0204116557494782
Energy: 0.9834510332961985
Energy: 1.0054218987358807
Energy: 1.1767857042483076
Energy: 0.9799456935892753
Energy: 1.0025720661134827
Energy: 1.2088094105910407
Energy: 0.8981769957969331
Energy: 0.9448951787058633
Energy: 1.0184546963675865
Energy: 0.9663932220162591
Energy: 0.9658891915933329
Energy: 1.018831856655514
Energy: 0.9838683117784051
Energy: 1.018399568139443
Energy: 1.0189301237415005
Energy: 0.9661465348383673
Energy: 0.9677504737271433
Energy: 1.019041050294239
Energy: 1.0082796466843666
Energy: 1.0485759241797803
Energy: 1.2987611456856443
Energy: 0.9539364169393048
Energy: 0.966759819794457
Energy: 1.0021221357559413
Energy: 0.952336777623116
Energy: 0.9853675064352218
Energy: 0.9521428010733847
Energy: 1.0028838574187078
Energy: 1.039402555319702
Energy: 1.0022959695398423
Energy: 1.0130650130880428
Energy: 0.9890493695210022
Energy: 0.9617807867366932
Energy: 1.0178606845762361
Energy: 1.0374567451521268
Energy: 0.9708875200809557
Energy: 1.0175229680631193
Energy: 0.9466673037235992
Energy: 1.4374259858894394
Energy: 1.019042297706992
Energy: 1.0182391831902986
Energy: 0.9687250289651944
Energy: 1.0191558923024957
Energy: 0.9675558835590871
Energy: 1.2358736457310668
Energy: 1.01805850405509
Energy: 1.0197777120004337
Energy: 1.0035613592228927
Energy: 1.017891259961088
Energy: 0.9654170506348189
Energy: 1.2331853317769277
Energy: 1.018207367925699
Energy: 1.0015228387103061
Energy: 1.0082086108362878
Energy: 1.0182435180969052
Energy: 1.0021208947072824
Energy: 1.0363674010338406
Energy: 0.9907042302849172
Energy: 0.983369682894627
Energy: 1.0106522279019265
Energy: 0.9946611437248676
Energy: 0.9833667444921027
Energy: 0.9905546252613618
Energy: 0.9830979918041542
Energy: 0.9664113013008456
Energy: 0.9919665086974634
Energy: 1.002526884788084
Energy: 0.9840759442538891
Energy: 0.9905428982520188
Energy: 0.9786581184031199
Energy: 0.981090714028796
Energy: 0.9903234092797769
Energy: 0.9816440101961611
Energy: 0.9659608710811212
Energy: 0.9896161100348333
Energy: 0.9669799176800549
Energy: 0.9875550914895145
Energy: 0.9893882766408065
Energy: 0.9717738021881819
Energy: 0.9906462416382642
Energy: 1.0281615533609747
Energy: 0.9790706098975761
Energy: 0.9819407699913864
Energy: 0.990288573826834
Energy: 0.9797012007192508
Energy: 0.9604800228846402
Energy: 1.026856023647288
Energy: 0.9571175476116502
Energy: 0.9552442183077283
Energy: 0.9792532517589478
Energy: 0.9815275650255598
Energy: 0.9566651700349442
Energy: 1.0294539816515795
Energy: 0.9809848070981784
Energy: 0.9847389379169553
Energy: 1.0012323351015813
Energy: 0.9794923898792207
Energy: 0.9646138672209396
Energy: 1.4538565345460737
Energy: 0.9902755153529849
Energy: 0.9811159902408447
Energy: 1.0080879185060505
Energy: 0.9910419815128215
Energy: 0.9445952587106284

minimum gb energy = 0.8975772248906922 eV
minimum distance =  2.31132958866412 Angstroms
sigma value = 57


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

Energy: 0.493426966225843
Energy: 0.5189208690316282
Energy: 0.4953497744455753
Energy: 0.4963292169033608
Energy: 1.4822219896744242
Energy: 0.4953917438232734
Energy: 0.49414003167115617
Energy: 0.5261523513532549
Energy: 0.5269120999319059
Energy: 0.5555037756776431
Energy: 0.5191993332392182
Energy: 0.5378695677211428
Energy: 0.6180613087866407
Energy: 0.5256243589455445
Energy: 0.5250530323923194
Energy: 0.5571850365576371
Energy: 0.5576530115586179
Energy: 0.5269604060907765
Energy: 0.6185300256811623
Energy: 0.519418090764884
Energy: 0.5246134279180221
Energy: 0.5628643637733254
Energy: 0.558971761008242
Energy: 0.5276591302408077
Energy: 0.613148678465487
Energy: 0.5283098238872885
Energy: 0.49647183348864543
Energy: 0.5579453315241624
Energy: 0.49581969396809156
Energy: 0.5414438374468565
Energy: 0.555616385460734
Energy: 0.49700766473145364
Energy: 0.4987169138473416
Energy: 0.5601094441014602
Energy: 0.4947879266776024
Energy: 0.527380446524639
Energy: 0.5497829831956823
Energy: 0.5235522086130718
Energy: 0.5277306505022797
Energy: 0.5532357226790446
Energy: 0.5193297797370005
Energy: 0.541493843864301
Energy: 0.5563207379694668
Energy: 0.5305112836298947
Energy: 0.5234586299238656
Energy: 0.5571836412691394
Energy: 0.5231214737647323
Energy: 0.5264423732990038
Energy: 0.6126741462253772
Energy: 0.5425364582440788
Energy: 0.5431452395665184
Energy: 0.556086155045584
Energy: 0.5602493431944545
Energy: 0.5255918970043225
Energy: 0.49389923920885814
Energy: 1.4847837380705822
Energy: 0.4966716410133418
Energy: 0.49436431943183096
Energy: 0.5576171572867751
Energy: 0.5274020449616776
Energy: 0.493975460381425
Energy: 0.5227606875792669
Energy: 0.5420701831049709
Energy: 0.49462045980281016
Energy: 0.520482561293566
Energy: 0.4975598216084276
Energy: 0.6150958755716442
Energy: 0.5650914619105658
Energy: 0.5385057191041748
Energy: 0.5193628997468885
Energy: 0.5561385763548086
Energy: 0.5383497334371261
Energy: 0.618910426999883
Energy: 0.6142468038962575
Energy: 0.6154004114042501
Energy: 0.5275966936321791
Energy: 0.6196162452745865
Energy: 0.5859740749477644
Energy: 0.6135994020250853
Energy: 0.5654577107659698
Energy: 0.5399520973556013
Energy: 0.5232119296553095
Energy: 0.5569415123217829
Energy: 0.5396523439489708
Energy: 0.5184288784373993
Energy: 0.49536413682746644
Energy: 0.49592716894883376
Energy: 1.4986721137760293
Energy: 0.49985618881671917
Energy: 0.4954958936631285
Energy: 0.5527743921642417
Energy: 0.538329307155138
Energy: 0.5389023146562166
Energy: 0.5169197647995648
Energy: 0.4970068519862114
Energy: 0.5504902839036323
Energy: 0.5551629351004319
Energy: 0.5074817296271021
Energy: 0.5412055310205349
Energy: 0.5560469013073408
Energy: 0.5669700910940279
Energy: 0.5257780293621623
Energy: 0.6166418369841429
Energy: 0.5231433485274046
Energy: 0.54126453138259
Energy: 0.5630093402004925
Energy: 0.5239012749343415
Energy: 0.5258726932907372
Energy: 0.49410985060574864
Energy: 0.5227514958267081
Energy: 0.5257249592741131
Energy: 0.4948890712078043
Energy: 0.5205159880483551
Energy: 0.5429369032606167

minimum gb energy = 0.493426966225843 eV
minimum distance =  2.35487680413808 Angstroms
sigma value = 11


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

Energy: 1.5218370127954872
Energy: 0.8538731278676723
Energy: 0.8669187741016804
Energy: 1.128613602308411
Energy: 3.0600317909699277
Energy: 0.8689049971638205
Energy: 0.8679857162078561
Energy: 0.8555967216720082
Energy: 0.8466085267828917
Energy: 0.8429314001915679
Energy: 0.8543743500730541
Energy: 0.8493909060767499
Energy: 0.8378417268213556
Energy: 0.8457183234954562
Energy: 0.8483613624916604
Energy: 0.8410261863675581
Energy: 0.84460842279678
Energy: 0.8380934832202409
Energy: 0.8392986439272805
Energy: 0.8581544597044006
Energy: 0.8620461324897837
Energy: 0.8418352437972408
Energy: 0.8473201393288535
Energy: 0.8469391814984512
Energy: 0.8386857812810276
Energy: 0.9357650803746851
Energy: 0.896259942826707
Energy: 0.855360650358474
Energy: 0.8529210037280538
Energy: 0.8469612434602845
Energy: 1.12637678753581
Energy: 0.901560411441252
Energy: 0.8998137622485026
Energy: 0.8421102595627821
Energy: 0.8564468175067786
Energy: 0.8853152790625879
Energy: 1.0676348401205826
Energy: 0.8427079958862198
Energy: 0.845279280369145
Energy: 0.8409644716106789
Energy: 0.8408211033534485
Energy: 0.8383531542013408
Energy: 0.8603142057950824
Energy: 0.9299643858107541
Energy: 0.9314820743409822
Energy: 0.8746956595195765
Energy: 0.9278217473890387
Energy: 0.9284844474649899
Energy: 1.1238639949388833
Energy: 0.8848941718405081
Energy: 0.9010822039861456
Energy: 0.8539601738962507
Energy: 0.8485973617034136
Energy: 0.8991722188292379
Energy: 1.403964923354561
Energy: 0.8823661166673866
Energy: 0.8857467907401334
Energy: 0.924484497413543
Energy: 0.8812636006035949
Energy: 0.8994637862443247
Energy: 1.4964365591673994
Energy: 0.8809705329725954
Energy: 0.8842618709742579
Energy: 0.9119152037115801
Energy: 0.881189982459003
Energy: 0.8966430464189088
Energy: 1.240380115569586
Energy: 0.8235065303219125
Energy: 0.8375768187778617
Energy: 0.9377439314809326
Energy: 0.8162149532483536
Energy: 0.8588051331659863
Energy: 1.0522547039011472
Energy: 0.8134515395393188
Energy: 0.8130281456227317
Energy: 0.996184038220235
Energy: 0.8170389852869229
Energy: 0.861361453887611
Energy: 1.0498158804024336
Energy: 0.9372011521747544
Energy: 0.9369338287244552
Energy: 0.8955317022912047
Energy: 0.940154094364044
Energy: 0.9363707392270131
Energy: 1.1038189565041792
Energy: 1.0179822530337823
Energy: 1.0169721402524814
Energy: 1.105248374269536
Energy: 1.0486848734543288
Energy: 0.9023338532485984
Energy: 1.4411133311191926
Energy: 0.9396032458728251
Energy: 0.9373182056973752
Energy: 0.8949864969484324
Energy: 0.9437443981997594
Energy: 0.9379018499772667
Energy: 1.2987361822340153
Energy: 0.8973025519813174
Energy: 0.8557245935515858
Energy: 0.992025369635822
Energy: 0.9158152720209707
Energy: 0.8629893738286517
Energy: 1.484497133005445
Energy: 0.89470858448961
Energy: 0.9409958272337994
Energy: 0.937401694694564
Energy: 0.8942753552940976
Energy: 0.9382470458999699
Energy: 1.4019466459533245
Energy: 0.8561066711760077
Energy: 0.9064158014967316
Energy: 0.8833325386618228
Energy: 0.855031055308674
Energy: 0.901660597756387
Energy: 1.0925710175755723
Energy: 0.9435541082231705
Energy: 0.9499563088902424
Energy: 0.844352794638324
Energy: 1.2282514465628138
Energy: 0.8617200194217974
Energy: 1.4382415698243671
Energy: 0.9416333375633701
Energy: 0.8900572317671516
Energy: 0.8958435315243046
Energy: 0.9411893202675031
Energy: 0.8859604908535192
Energy: 0.9921698689194071
Energy: 0.8708011936372457
Energy: 0.8706375309714504
Energy: 1.3540336997957998
Energy: 1.097499107759751
Energy: 0.9401736683689691
Energy: 0.9236387865215889
Energy: 0.8827193140815673
Energy: 0.896553751918192
Energy: 0.8828546059924892
Energy: 0.900792307587831
Energy: 0.8851282890707881
Energy: 0.925323434301739
Energy: 0.845826477409994
Energy: 0.8386694881653894
Energy: 0.9273416999748497
Energy: 0.8412358107000129
Energy: 0.8463364019995268
Energy: 0.9554634072872396
Energy: 0.8429344857945645
Energy: 0.8374122191602857
Energy: 0.9550230130322606
Energy: 0.8414389343931508
Energy: 0.8476107674118454
Energy: 1.4983230109059207
Energy: 0.8436737914137776
Energy: 0.8476473338577737
Energy: 0.8559337069693538
Energy: 0.841000141154445
Energy: 0.8115548288774957

minimum gb energy = 0.8115548288774957 eV
minimum distance =  2.31162615299152 Angstroms
sigma value = 41


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

Energy: 1.654322291370937
Energy: 0.9230310140631447
Energy: 0.9977229537089058
Energy: 1.2421212016938892
Energy: 2.651697297905846
Energy: 1.242678579023984
Energy: 0.9540782830944892
Energy: 0.9192044205456007
Energy: 0.9112295586257302
Energy: 0.917212153057231
Energy: 0.9126038187357063
Energy: 0.9105357485554395
Energy: 0.9157198432488144
Energy: 0.912165090195379
Energy: 0.9111245818369684
Energy: 0.9191529165193086
Energy: 0.9175907538457581
Energy: 0.9105367193488298
Energy: 0.9163110116569635
Energy: 0.917774252784229
Energy: 0.9104442451717009
Energy: 0.9195619783361132
Energy: 0.9110148112619803
Energy: 0.9144227668887037
Energy: 0.9164412736233419
Energy: 0.9112720606527531
Energy: 0.913882239095904
Energy: 0.9436689108578792
Energy: 0.9430494827862471
Energy: 0.918835260508037
Energy: 1.2958298718724834
Energy: 0.9118421404999821
Energy: 0.9106586398547222
Energy: 0.9445160769685567
Energy: 0.9203666029397812
Energy: 0.9184251962134458
Energy: 1.2844830023773157
Energy: 0.9178343188179277
Energy: 0.9146688081882801
Energy: 0.9455188692895055
Energy: 0.9171155175867232
Energy: 0.9125860329501817
Energy: 0.951662345080269
Energy: 1.0603806629646972
Energy: 0.9520093323068055
Energy: 0.8755081921930422
Energy: 1.0597295579488726
Energy: 0.8862842007916577
Energy: 1.2946621313856097
Energy: 0.9151054682847343
Energy: 0.9115420107866222
Energy: 0.9418514088939597
Energy: 0.919414286051747
Energy: 0.9112233934776315
Energy: 1.2841752033573826
Energy: 0.9181255499389268
Energy: 0.9096982832521132
Energy: 0.9204685400213348
Energy: 0.9187896139683753
Energy: 0.9109035696928651
Energy: 1.2869430201012209
Energy: 0.9179607020777758
Energy: 0.9093446030065769
Energy: 0.921016667210619
Energy: 0.9167028940991263
Energy: 0.9107634480279266
Energy: 1.484489948692938
Energy: 0.8750553023292993
Energy: 0.8752726103264944
Energy: 0.942613749135623
Energy: 0.881780884870265
Energy: 0.9119626200410507
Energy: 1.0199653205697976
Energy: 0.8751200640481532
Energy: 0.8752948142643006
Energy: 0.9600334297301922
Energy: 0.8749476154727082
Energy: 0.8768445241564462
Energy: 1.015404095625645
Energy: 0.9121687915448845
Energy: 0.9116122698487207
Energy: 1.0189869784900996
Energy: 0.9415828107139554
Energy: 0.9115714256197449
Energy: 1.0604782735364022
Energy: 1.0380688436584729
Energy: 1.0618911904943478
Energy: 1.0614474150060567
Energy: 1.0957952644921392
Energy: 1.0619420030507434
Energy: 0.9147021695518313
Energy: 0.9170323320633257
Energy: 0.9117583950333862
Energy: 0.9175399604574848
Energy: 0.9420399947259748
Energy: 0.9116288928981523
Energy: 1.6130995397842156
Energy: 2.788493652090516
Energy: 0.8742467437872766
Energy: 0.9760742316185779
Energy: 0.9202689845840533
Energy: 1.0650019252198977
Energy: 0.953812121971082
Energy: 0.9193312926314533
Energy: 0.9202029098995734
Energy: 0.8746789338376014
Energy: 0.9189305485270257
Energy: 0.8761344703026291
Energy: 0.9156243908828191
Energy: 0.9172375975166195
Energy: 0.916690618609439
Energy: 0.9180577017535002
Energy: 0.9183232146306862
Energy: 0.9110932975290138
Energy: 0.9156067782213906
Energy: 0.9108529189533923
Energy: 0.909840180091005
Energy: 0.9180839676400165
Energy: 0.9173828089259891
Energy: 0.9113390017548572
Energy: 0.9152448471459516
Energy: 0.9136191105658972
Energy: 0.9108167582830411
Energy: 0.9432253029394142
Energy: 0.9190432818267308
Energy: 0.9109441408897775
Energy: 1.446370622256111
Energy: 1.1017836007979611
Energy: 1.1349600109490356
Energy: 1.146423560641612
Energy: 1.101784532650762
Energy: 1.1338798655886098
Energy: 1.2949142166480248
Energy: 0.9145516101722353
Energy: 0.9122177769085972
Energy: 0.9431935961414177
Energy: 0.9193531282385945
Energy: 0.9110041720199967
Energy: 0.9514157214337066
Energy: 1.038077213922425
Energy: 0.9315766482572264
Energy: 0.8770337454660851
Energy: 1.066113757145786
Energy: 0.8803862982082669
Energy: 1.2845134299629741
Energy: 0.9172587876152648
Energy: 0.9224973319663555
Energy: 0.9423672698953162
Energy: 0.917666648491422
Energy: 0.9142508042709749
Energy: 1.2843779281156789
Energy: 0.9177182349339434
Energy: 0.9094592129155986
Energy: 0.9234233236656199
Energy: 0.9171527207268628
Energy: 0.9095234742480307
Energy: 1.2840653975564742
Energy: 0.9175072944647472
Energy: 0.9098373040093556
Energy: 0.920103682100988
Energy: 0.933682514025199
Energy: 0.9111900723157709
Energy: 1.2948388016506822
Energy: 0.93816020966213
Energy: 0.9100608895105131
Energy: 0.9420773397799551
Energy: 0.9095136421599065
Energy: 0.9116483813686306
Energy: 1.0189506382562576
Energy: 0.9758564913411227
Energy: 0.9673986759385125
Energy: 1.0196615180059734
Energy: 0.8745019345757288
Energy: 0.9668128498354615
Energy: 1.01557931508951
Energy: 0.9184685916042503
Energy: 0.9119535575796122
Energy: 1.0186862928692182
Energy: 0.9204361107816904
Energy: 0.9122146799879879
Energy: 1.019342775216865
Energy: 0.910680030673569
Energy: 0.9122963410377192
Energy: 1.0192889987804425
Energy: 0.9176674891913371
Energy: 0.9175856463136606
Energy: 0.914656160264999
Energy: 0.9354494507801907
Energy: 0.9174552757004578
Energy: 0.943038849382537
Energy: 0.9173679035265425
Energy: 0.915310884233088
Energy: 1.6159811020406414
Energy: 0.9194848256067746
Energy: 0.8745817820167909
Energy: 0.8811690123793281
Energy: 0.9190449759917798
Energy: 0.9346361909493024

minimum gb energy = 0.8742467437872766 eV
minimum distance =  2.31719936638124 Angstroms
sigma value = 33


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

Energy: 1.3054058653835523
Energy: 1.1243865697459476
Energy: 1.0162310814708344
Energy: 0.9617221428953993
Energy: 2.2601073962378253
Energy: 1.0933586060438956
Energy: 1.41811844130304
Energy: 0.990910439990743
Energy: 0.9914328408552133
Energy: 0.9709970437582351
Energy: 0.9907733559073014
Energy: 1.0136857749010253
Energy: 1.0784563108920546
Energy: 1.0599303097586603
Energy: 0.9907179208135553
Energy: 1.065070853696735
Energy: 0.9926975002272872
Energy: 1.0658963703569684
Energy: 1.0808694387536457
Energy: 0.9899220289570766
Energy: 0.9911731010220188
Energy: 1.0992332268995972
Energy: 0.9900545933656594
Energy: 1.0496394054481812
Energy: 1.0795602374556643
Energy: 1.0199696631821389
Energy: 1.0756696527262735
Energy: 1.129218395641916
Energy: 1.041310336687227
Energy: 0.9656554956472199
Energy: 1.1361702148842596
Energy: 1.001183285155432
Energy: 1.0004875130440227
Energy: 1.1574753243247213
Energy: 1.0244059637265657
Energy: 0.9955810279527175
Energy: 1.4362035704519434
Energy: 1.0930798720888621
Energy: 1.0685542282411664
Energy: 1.1107797369637489
Energy: 1.0839864291994454
Energy: 1.0685596311557481
Energy: 1.1111873200703253
Energy: 1.1092657442713936
Energy: 1.0179112702868172
Energy: 0.9903274975853907
Energy: 1.0810358789393593
Energy: 1.0171688861993367
Energy: 1.1476240663613893
Energy: 1.0695854062880723
Energy: 1.0594270496436533
Energy: 1.0604758497963513
Energy: 1.0468539209472123
Energy: 1.0556804196922558
Energy: 1.562709684747093
Energy: 1.0489643941064468
Energy: 1.045423568715411
Energy: 1.0672965462301034
Energy: 1.0491423765533945
Energy: 1.0484813902044763
Energy: 1.562125150651929
Energy: 1.04299339590907
Energy: 1.0611280189816619
Energy: 1.0600985144998343
Energy: 1.0418658967506158
Energy: 1.0568771225102296
Energy: 1.1473014962601469
Energy: 0.9419460641858385
Energy: 0.9424650926458443
Energy: 1.0555754795004477
Energy: 0.9493932833104858
Energy: 0.9424779141086852
Energy: 1.0985812634293521
Energy: 0.9423378948329745
Energy: 0.942495051943521
Energy: 1.0558526577970397
Energy: 0.952478425482605
Energy: 0.9431907402353479
Energy: 1.0946510862792456
Energy: 1.0610111529568362
Energy: 1.0596480861358417
Energy: 1.0607801102696328
Energy: 1.0612253492143893
Energy: 1.0572125610376006
Energy: 1.0075907759675369
Energy: 1.0692381855803217
Energy: 1.0689410399707895
Energy: 1.0703211725267388
Energy: 1.0690395157162322
Energy: 1.0801851895358165
Energy: 1.0971232773759356
Energy: 1.071101307170782
Energy: 1.0721792135759778
Energy: 1.0533861883399607
Energy: 1.101466573894785
Energy: 1.0545311862080124
Energy: 1.5266258585577324
Energy: 1.1051658208012038
Energy: 0.9952455298850337
Energy: 1.0246849571627226
Energy: 1.1068558160057298
Energy: 0.9943582213265743
Energy: 1.5327325561636544
Energy: 1.0569125719268244
Energy: 1.056370809986615
Energy: 1.053414365724355
Energy: 1.1409794419674304
Energy: 1.056168157566582
Energy: 1.165800852264033
Energy: 1.0117608277111305
Energy: 0.989652355676087
Energy: 1.0981307021052724
Energy: 0.9933807047746055
Energy: 1.0700368559873399
Energy: 1.0519059555073142
Energy: 0.9925312869685379
Energy: 0.9895639945699117
Energy: 1.0471847170893747
Energy: 0.9930970838085587
Energy: 1.0790668343964933
Energy: 1.0463942178546377
Energy: 1.0695889200387918
Energy: 1.0500967784928765
Energy: 1.048540000740239
Energy: 1.059362487402824
Energy: 1.050629133634212
Energy: 1.0763444420193977
Energy: 1.0524676961378543
Energy: 1.0521517350878375
Energy: 1.0764264534761607
Energy: 1.0497384527656841
Energy: 1.0570347836568708
Energy: 1.5194639045175793
Energy: 1.0521134754732209
Energy: 1.051196356817398
Energy: 1.0382781232377987
Energy: 1.0587910194818653
Energy: 1.0422264108619053
Energy: 1.052567193093357
Energy: 2.801151710926196
Energy: 0.9465645476891131
Energy: 0.9432234638524519
Energy: 2.49561495767173
Energy: 0.9447043731256374
Energy: 1.8796392898724037
Energy: 1.0556618563381734
Energy: 1.0516651444412333
Energy: 0.9478550421509915
Energy: 1.0552547056528665
Energy: 1.052644358410828
Energy: 1.1042890710902955
Energy: 1.0710586722053494
Energy: 1.0598126063196893
Energy: 1.071432024270998
Energy: 1.0703135729900235
Energy: 1.0619630962859605
Energy: 1.099651680048257
Energy: 1.0583683189655597
Energy: 1.0727747453678051
Energy: 1.0710752807040638
Energy: 1.0648293565357778
Energy: 1.070967019467754
Energy: 1.102054984940348
Energy: 1.081739478919542
Energy: 1.0860413186807096
Energy: 1.1086436513781164
Energy: 1.02381653641115
Energy: 1.0854043535825995
Energy: 1.3216677035154136
Energy: 1.0001395688708077
Energy: 1.000114153170867
Energy: 1.1960288948759341
Energy: 1.038262229533396
Energy: 0.9999374511959943
Energy: 1.2220971471285895
Energy: 1.0782258779898084
Energy: 1.0817850871670098
Energy: 1.1384549982847825
Energy: 1.0763053372467777
Energy: 1.0883057576991366
Energy: 1.1107920282548405
Energy: 1.1943172665108825
Energy: 1.0038041721358428
Energy: 0.9901647342348412
Energy: 1.2867106332077842
Energy: 1.0040617041950877
Energy: 1.241800748754382
Energy: 1.0514885351740482
Energy: 1.0500555197660284
Energy: 1.0943167817601893
Energy: 1.0511831386490702
Energy: 1.0492435807496094
Energy: 1.5629101890268071
Energy: 1.0507793278993414
Energy: 1.046773906950217
Energy: 1.0751351012901738
Energy: 1.049184667515898
Energy: 1.0723903316374708
Energy: 1.563173694264223
Energy: 1.0439798877647892
Energy: 1.060770764329887
Energy: 1.0702982703634814
Energy: 1.0566092986197235
Energy: 1.0583563581757363
Energy: 1.1513704243144078
Energy: 0.9423026506537171
Energy: 0.9428312136499354
Energy: 1.0620652436344078
Energy: 0.9490030003230497
Energy: 1.0368304328094475
Energy: 1.099525179132225
Energy: 0.9424274943902989
Energy: 0.9437424968905255
Energy: 1.0625754716792912
Energy: 0.9432171772592126
Energy: 0.944199851550033
Energy: 1.0941411410954776
Energy: 1.0514377854918198
Energy: 1.0501428815704474
Energy: 1.0787742855002556
Energy: 1.0806044126281735
Energy: 1.049068696034694
Energy: 1.018964753763974
Energy: 1.0719161976955585
Energy: 1.071179022446764
Energy: 1.0212452888577033
Energy: 1.0677527200642003
Energy: 1.0833810737670717
Energy: 1.094842487178146
Energy: 1.0890115307643495
Energy: 1.067513977757125
Energy: 1.059159813590577
Energy: 1.0933998178963207
Energy: 1.0568345903119922
Energy: 1.5275203474103123
Energy: 1.1404155850261657
Energy: 1.052782079548928
Energy: 1.0203852090689316
Energy: 1.1014159298884312
Energy: 0.9950126665038369
Energy: 1.527122433066409
Energy: 1.0546745426546589
Energy: 0.9715313146017435
Energy: 1.0220130302244184
Energy: 1.0724268791071596
Energy: 1.0556281677587374
Energy: 1.0824087287791777
Energy: 0.9916971196544125
Energy: 0.9897476318303439
Energy: 1.0832155066092752
Energy: 0.9944303361238773
Energy: 1.0669435193960646
Energy: 1.028671979084013
Energy: 0.9915278024250823
Energy: 0.9906553187220345
Energy: 1.0008700780298478
Energy: 0.9916790776350515
Energy: 0.9911431854933201
Energy: 1.0247960867439825
Energy: 1.0242383447509205
Energy: 0.9722008653806005
Energy: 1.0428141530074115
Energy: 0.9658850694798177
Energy: 0.9709429199097687
Energy: 1.052758941391435
Energy: 1.0463508756731623
Energy: 1.060050457047497
Energy: 1.06999994887909
Energy: 0.9658969665175663
Energy: 1.0527412798660702
Energy: 1.0787878114703873
Energy: 0.9880216730476724
Energy: 0.9897533205233408
Energy: 0.9683939877973738
Energy: 0.9934994578645959
Energy: 0.9913309359546354
Energy: 1.819824726460838
Energy: 2.2925042530811033
Energy: 0.9461049706236117
Energy: 0.9549761231461271
Energy: 0.9926980721092596
Energy: 0.9914653978619554

minimum gb energy = 0.9419460641858385 eV
minimum distance =  2.23286068668823 Angstroms
sigma value = 67


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

Energy: 1.4631341509960711
Energy: 1.0270617826021406
Energy: 1.0268247175588212
Energy: 1.0347614326612504
Energy: 1.684253597918972
Energy: 1.0260097837835636
Energy: 1.1498207403081817
Energy: 1.0365435954219044
Energy: 1.036244834126896
Energy: 1.0356044366579122
Energy: 1.0375103099044494
Energy: 1.0355464131273728
Energy: 1.0829718973246039
Energy: 0.9966018491243216
Energy: 1.0377681880496568
Energy: 1.0373556829828448
Energy: 0.9956426349113899
Energy: 1.0380965329796894
Energy: 1.082494244627364
Energy: 1.0343604522630645
Energy: 1.034123072732219
Energy: 1.0361521789565968
Energy: 1.034539060851579
Energy: 1.0336756432083132
Energy: 1.0739145506064098
Energy: 1.0375735373334478
Energy: 1.037795963505937
Energy: 1.0749939395128474
Energy: 1.0375493898404957
Energy: 1.038478894195245
Energy: 1.076704093299616
Energy: 1.0398476462692696
Energy: 1.0411233885354871
Energy: 1.0777801503699522
Energy: 1.0392021833274359
Energy: 1.0414826139647393
Energy: 1.149583120351264
Energy: 1.0370408413270422
Energy: 1.0369436384334403
Energy: 0.9969445253689221
Energy: 1.0375241354817923
Energy: 1.036080236371055

minimum gb energy = 0.9956426349113899 eV
minimum distance =  2.34767050090614 Angstroms
sigma value = 3


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

Energy: 1.5875891249360234
Energy: 1.298493261326631
Energy: 1.224079222692897
Energy: 1.2051103761847828
Energy: 2.6194990469406667
Energy: 1.2182512662501719
Energy: 1.1583232319388317
Energy: 1.1722673910387011
Energy: 1.1706940143747289
Energy: 1.182453758033579
Energy: 1.1995396019587805
Energy: 1.1710771559544373
Energy: 1.2253980684573624
Energy: 1.157736652433903
Energy: 1.1581835406508667
Energy: 1.2316767772689812
Energy: 1.1579815394543962
Energy: 1.1711857475458514
Energy: 1.174170429527146
Energy: 1.1633759257782144
Energy: 1.1633876571041286
Energy: 1.1755169205922538
Energy: 1.1539216307725806
Energy: 1.1669799959121518
Energy: 1.1517290068042079
Energy: 1.1593128372073183
Energy: 1.160617459590129
Energy: 1.1535506230256303
Energy: 1.1623319840333721
Energy: 1.1617354121891854
Energy: 1.1424583268305601
Energy: 1.1619608209234238
Energy: 1.1620470768160776
Energy: 1.1546449715995741
Energy: 1.1612211546408053
Energy: 1.1609086500028438
Energy: 1.144468765181117
Energy: 1.1824733985368572
Energy: 1.1876842664578071
Energy: 1.1591946445344314
Energy: 1.1959115982111184
Energy: 1.1802318395437226
Energy: 1.3799354784282112
Energy: 1.2952461436893725
Energy: 1.202148217638794
Energy: 1.1793664457092654
Energy: 1.1903940427779072
Energy: 1.177780868898941
Energy: 1.2676856060261321
Energy: 1.2036850656865792
Energy: 1.1876906041782171
Energy: 1.2287748133447265
Energy: 1.196730572503881
Energy: 1.1817831573721103
Energy: 1.2966028916799228
Energy: 1.1767087398921214
Energy: 1.180199602865656
Energy: 1.3324385927532827
Energy: 1.1791100154832528
Energy: 1.1554762074686014
Energy: 1.2298631252420245
Energy: 1.1808242588003959
Energy: 1.1774073377704994
Energy: 1.220069558076949
Energy: 1.1849933606655147
Energy: 1.182363671447319
Energy: 1.2252092241913553
Energy: 1.1743279132603877
Energy: 1.1781646506847345
Energy: 1.1669166004579605
Energy: 1.1481922235569193
Energy: 1.163215710528332
Energy: 1.1989517038380577
Energy: 1.1625955778875305
Energy: 1.1628901274643149
Energy: 1.1601866560964473
Energy: 1.143460536790927
Energy: 1.1625184522221927
Energy: 1.2235107043786642
Energy: 1.172822653817652
Energy: 1.1735684353315021
Energy: 1.1774756636907366
Energy: 1.1765781242202389
Energy: 1.1611304096425379
Energy: 1.2473355488127866
Energy: 1.1741066682385166
Energy: 1.269731724330383
Energy: 1.1454288622772908
Energy: 1.1754059660377323
Energy: 1.1741326320515948
Energy: 1.3257126426163748
Energy: 1.1823696754879622
Energy: 1.1623993195327416
Energy: 1.1953921149639266
Energy: 1.1821596377131791
Energy: 1.1650117724162607
Energy: 1.3258734813471333
Energy: 1.1715144725055116
Energy: 1.179142678107643
Energy: 1.32740512951317
Energy: 1.1594902317749658
Energy: 1.1401900791141706
Energy: 1.369460329376549
Energy: 1.1786468969772317
Energy: 1.2189663997192641
Energy: 1.2099179696428708
Energy: 1.1755115607060913
Energy: 1.204306822010602
Energy: 1.436678009175281
Energy: 1.195237176098105
Energy: 1.1942910190069815
Energy: 1.166754873563901
Energy: 1.2025916456423178
Energy: 1.1668662468111908
Energy: 1.3042622258324277
Energy: 1.1965827561225193
Energy: 1.1967190214946757
Energy: 1.1674854471975606
Energy: 1.1984107464826
Energy: 1.1823197595134631
Energy: 1.1681274206093983
Energy: 1.1686023629957616
Energy: 1.1779419110903078
Energy: 1.169451651409158
Energy: 1.1697609370602897
Energy: 1.1774592693038242
Energy: 1.168417585486193
Energy: 1.172293245356468
Energy: 1.168209536927216
Energy: 1.1734247803924682
Energy: 1.1808961986577216
Energy: 1.1688140785585137
Energy: 1.17062518493859
Energy: 1.1765163244180938
Energy: 1.1728059005143563
Energy: 1.1721344477946782
Energy: 1.1726478770200404
Energy: 1.1688673550627389
Energy: 1.1912053865594991
Energy: 1.1788079650180683
Energy: 1.1781667639955449
Energy: 1.171693032880142
Energy: 1.1789434842819904
Energy: 1.1735910480622027
Energy: 1.1531572980286966
Energy: 1.1564757716322656
Energy: 1.1461852302742264
Energy: 1.154337095328584
Energy: 1.156266155265556
Energy: 1.1461923263008063
Energy: 1.4122340919175755
Energy: 1.1598254982451346
Energy: 1.1596964844178599
Energy: 1.1462179254246587
Energy: 1.1598933610057895
Energy: 1.1654930695695007
Energy: 1.583673498542476
Energy: 1.1814058255690902
Energy: 1.1802760865661241
Energy: 1.1459408442432812
Energy: 1.1609916565033072
Energy: 1.1702089887448102
Energy: 1.1550438575160402
Energy: 1.1513249450731575
Energy: 1.1465021580742065
Energy: 1.1635089269846282
Energy: 1.1564041247505374
Energy: 1.1466484934351053
Energy: 1.1567048299746563
Energy: 1.1582348646699712
Energy: 1.1574099344033368
Energy: 1.156160363231996
Energy: 1.1588522590737849
Energy: 1.1586287610538848
Energy: 1.1545815818133605
Energy: 1.1641941480361648
Energy: 1.1637358812244916
Energy: 1.1567353420517834
Energy: 1.1657604303617128
Energy: 1.1608176748324528
Energy: 1.1556235830591974
Energy: 1.1637520465239912
Energy: 1.1640190206589986
Energy: 1.165846606460419
Energy: 1.1634872849739817
Energy: 1.1636990607655708
Energy: 1.1620626091520718
Energy: 1.175487253881671
Energy: 1.172508297662662
Energy: 1.1738068076481971
Energy: 1.1728074353053721
Energy: 1.1813731682011253
Energy: 1.3778398687213078
Energy: 1.1843849810125067
Energy: 1.2014208423292716
Energy: 1.178703844015476
Energy: 1.2542996888211586
Energy: 1.182557724133728
Energy: 1.5423942824577392
Energy: 1.209771488885614
Energy: 1.208436624665333
Energy: 1.153443064964343
Energy: 1.2167304243463857
Energy: 1.2024230222183419
Energy: 1.2525721037783757
Energy: 1.1635366699027938
Energy: 1.1458861483245206
Energy: 1.165341394363524
Energy: 1.2032712231974458
Energy: 1.1884656617590899
Energy: 1.2286996590363382
Energy: 1.1748856671541728
Energy: 1.180495626688523
Energy: 1.230227095103611
Energy: 1.179049798312571
Energy: 1.155556846803339
Energy: 1.2274470758437994
Energy: 1.1707844510161554
Energy: 1.173995720221205
Energy: 1.198914882649267
Energy: 1.1779097796654057
Energy: 1.1784717900285284
Energy: 1.2001710965861652
Energy: 1.1626463331625687
Energy: 1.1500720848054922
Energy: 1.136603729022258
Energy: 1.1660150696751517
Energy: 1.2206667586102844
Energy: 1.2129628688882126
Energy: 1.1516084674609623
Energy: 1.1713872649250126
Energy: 1.1559740813583324
Energy: 1.1474950046215038
Energy: 1.1793749131336566
Energy: 1.2451411105580885
Energy: 1.1718995226650257
Energy: 1.1723288537416452
Energy: 1.1447698625272877
Energy: 1.17240364906178
Energy: 1.1719657852729528
Energy: 1.322344811343614
Energy: 1.1723206039305252
Energy: 1.1644097177079595
Energy: 1.1852923141403415
Energy: 1.17823022655135
Energy: 1.1644834377480926
Energy: 1.334508932927821
Energy: 1.1373611017006595
Energy: 1.1608103015461715
Energy: 1.2005527632114816
Energy: 1.1538108649944292
Energy: 1.1996623747702262
Energy: 1.3886874151945436
Energy: 1.1599926556715878
Energy: 1.171144395145947
Energy: 1.3347634941895008
Energy: 1.1551138208930811
Energy: 1.1545778679340226
Energy: 1.3895154984505753
Energy: 1.1897719765668697
Energy: 1.164334995439734
Energy: 1.1909958365530995
Energy: 1.1913029148454086
Energy: 1.164800620989154
Energy: 1.6854281491848708
Energy: 1.1905188190076075
Energy: 1.2307747897417525
Energy: 1.1886029839741663
Energy: 1.1908667712324332
Energy: 1.181471844007993
Energy: 1.1597176674131975
Energy: 1.1598633706440185
Energy: 1.1616803110891103
Energy: 1.1656518870920118
Energy: 1.1598753551445025
Energy: 1.1632687632145724
Energy: 1.1559137172576566
Energy: 1.1700319700314896
Energy: 1.1683135645903013
Energy: 1.1732744486008233
Energy: 1.1718591169394408
Energy: 1.167181606188494
Energy: 1.1697923516365831
Energy: 1.1734041118927752
Energy: 1.172109778679719
Energy: 1.1630377365035776
Energy: 1.1669936276550983
Energy: 1.1740621401505162
Energy: 1.185648182564731
Energy: 1.1658100613187559
Energy: 1.1638380858039323
Energy: 1.187139904339843
Energy: 1.1660478436453698
Energy: 1.1837452998351556
Energy: 1.1755346120658448
Energy: 1.168033234381636
Energy: 1.177483802029604
Energy: 1.2817131601946214
Energy: 1.166692284085407
Energy: 1.168013973147741
Energy: 1.3455995428229917
Energy: 1.1695813224416811
Energy: 1.170752220106553
Energy: 1.1892788413905557
Energy: 1.29640917367397
Energy: 1.1683284275301675

minimum gb energy = 1.136603729022258 eV
minimum distance =  2.27706301572415 Angstroms
sigma value = 81


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

Energy: 2.044144005056454
Energy: 1.1833755233877243
Energy: 1.1829583493959706
Energy: 1.183288898898945
Energy: 1.9443841053782405
Energy: 1.183005458308291
Energy: 1.2158503482753278
Energy: 1.1547446425028045
Energy: 1.1564137038621944
Energy: 1.1636393563927359
Energy: 1.1213999525040867
Energy: 1.158363099885627
Energy: 1.2354360184813435
Energy: 1.1271126904515045
Energy: 1.1261336499506325
Energy: 1.221382140715915
Energy: 1.1284761567494064
Energy: 1.1816747663857858
Energy: 1.1391115212263456
Energy: 1.1270580653688165
Energy: 1.183663506449793
Energy: 1.1388950905225972
Energy: 1.1254409829418976
Energy: 1.170201771368832
Energy: 1.1719047537531295
Energy: 1.1521856550503327
Energy: 1.1523470649654033
Energy: 1.1800226501644058
Energy: 1.1520544561782082
Energy: 1.1517226053564427
Energy: 1.1430266664734343
Energy: 1.1511112706806061
Energy: 1.1522156096323124
Energy: 1.1563553688213086
Energy: 1.1537764274932527
Energy: 1.1848137184050147
Energy: 1.1229261554461878
Energy: 1.201587204809965
Energy: 1.2013469951328706
Energy: 1.1121748948654024
Energy: 1.20270561381476
Energy: 1.1540188735359505
Energy: 1.3055667870550212
Energy: 1.217571653505442
Energy: 1.2086045376495105
Energy: 1.1201562186179095
Energy: 1.2745343590987426
Energy: 1.1889285292909135
Energy: 1.1576475160786786
Energy: 1.2120714123593102
Energy: 1.1547508064923673
Energy: 1.1097265703801977
Energy: 1.2108890721362153
Energy: 1.1564264753138103
Energy: 1.2254305779793813
Energy: 1.0849219343914012
Energy: 1.0841447031705473
Energy: 1.2257661025123334
Energy: 1.0857724188895426
Energy: 1.145484406121923
Energy: 1.159517228237608
Energy: 1.0803691074338606
Energy: 1.0841402903233588
Energy: 1.1560408769665553
Energy: 1.079838555871089
Energy: 1.1573175588146567
Energy: 1.133386198609811
Energy: 1.1515338728687978
Energy: 1.1515311744200498
Energy: 1.1265529898331808
Energy: 1.155482747081126
Energy: 1.1574603828252055
Energy: 1.1333477466358923
Energy: 1.1722942260123408
Energy: 1.1536768065235046
Energy: 1.1286016934884715
Energy: 1.175569373884199
Energy: 1.1270862832552875
Energy: 1.1613905941630938
Energy: 1.186760011521844
Energy: 1.1522451847122215
Energy: 1.1564516531450677
Energy: 1.1885219921074508
Energy: 1.1503041380745138
Energy: 1.2970609273700926
Energy: 1.1543170866096026
Energy: 1.1828610949741776
Energy: 1.150548779649566
Energy: 1.1848971689104066
Energy: 1.1836946077580432
Energy: 1.2957739082063853
Energy: 1.1484798815711927
Energy: 1.1545521165663788
Energy: 1.2031312477539031
Energy: 1.155012831213737
Energy: 1.1550579493634943
Energy: 1.2959834823571628
Energy: 1.1551535860121547
Energy: 1.1535718231036682
Energy: 1.296741709733566
Energy: 1.1559130890963232
Energy: 1.1882829877799326
Energy: 1.3074243378736639
Energy: 1.1649332163664587
Energy: 1.1590060917231553
Energy: 1.2109250584681275
Energy: 1.1124704632545435
Energy: 1.154847183094578
Energy: 1.342016148303652
Energy: 1.1459980375566317
Energy: 1.0831611378286539
Energy: 1.0782437638491191
Energy: 1.1443945683055812
Energy: 1.0852094927725944
Energy: 1.34320247313156
Energy: 1.1461891098273385
Energy: 1.1145371243289308
Energy: 1.0793177158310203
Energy: 1.1459372708781617
Energy: 1.0846892980696687
Energy: 1.131549804732715
Energy: 1.161254233588208
Energy: 1.1412924299399498
Energy: 1.120148703315936
Energy: 1.112506527264252
Energy: 1.1429569944567992
Energy: 1.1559920419321648
Energy: 1.1292167263461486
Energy: 1.1292590887103016
Energy: 1.1740652197770973
Energy: 1.125997331903413
Energy: 1.1429309465948707
Energy: 1.1538071236244252
Energy: 1.1533271623705525
Energy: 1.156158881180055
Energy: 1.1574909306237533
Energy: 1.1338798757045636
Energy: 1.1595724919548274
Energy: 1.1876538314853224
Energy: 1.1850618828084627
Energy: 1.1842615419689866
Energy: 1.1828458471635503
Energy: 1.1534344337202809
Energy: 1.1834211750186636
Energy: 1.1868659759466018
Energy: 1.1541671677096088
Energy: 1.1542727215852457
Energy: 1.1540370625464493
Energy: 1.2028743064891054
Energy: 1.1484362501027527
Energy: 1.3048694461490233
Energy: 1.2083960231963258
Energy: 1.212140984458695
Energy: 1.1506806484623375
Energy: 1.2360619673873388
Energy: 1.2082382281967847
Energy: 1.3052882714733298
Energy: 1.211884996299651
Energy: 1.2125465376344449
Energy: 1.1308919751661692
Energy: 1.2210568483636028
Energy: 1.2137710837311968
Energy: 1.1545315864590184
Energy: 1.0810576255310256
Energy: 1.1243020187738373
Energy: 1.1553962191987335
Energy: 1.1333806760785838
Energy: 1.128603800939476
Energy: 1.161811009682798
Energy: 1.084636272786631
Energy: 1.0823099304654609
Energy: 1.1708332308590939
Energy: 1.0833261231191798
Energy: 1.1140205229415403
Energy: 1.1277155081180783
Energy: 1.1532751728650463
Energy: 1.1537863243573188
Energy: 1.1099603314865063
Energy: 1.146365866754023
Energy: 1.1407181746926125
Energy: 1.1342249529173305
Energy: 1.1682974068086265
Energy: 1.1804397206958377
Energy: 1.1268532903181985
Energy: 1.1734912840018241
Energy: 1.1288067723357669
Energy: 1.1268766004165185
Energy: 1.1452216983693897
Energy: 1.155202272077242
Energy: 1.110626276364865
Energy: 1.1441259858980972
Energy: 1.151905056479323
Energy: 1.2788367185491882
Energy: 1.1799832719482675
Energy: 1.186575140249394
Energy: 1.1591389369147058
Energy: 1.1802323925425802
Energy: 1.1869045812352
Energy: 1.2780433733208278
Energy: 1.1468779245147858
Energy: 1.1550649535273563
Energy: 1.1558287303290988
Energy: 1.188353439811417
Energy: 1.1560932267168005
Energy: 1.2788165611407627
Energy: 1.1581618881259452
Energy: 1.1848003745540698
Energy: 1.2177414192741292
Energy: 1.099257310556191
Energy: 1.2321229696907383
Energy: 1.265854032906569
Energy: 1.1533802615012272
Energy: 1.1530122215699352
Energy: 1.2659709366281897
Energy: 1.1532446438069992
Energy: 1.2372520196181698
Energy: 1.345108861565025
Energy: 1.1556903162511851
Energy: 1.156154193785878
Energy: 1.2490511700257616
Energy: 1.1620831511247527
Energy: 1.158580837511835
Energy: 1.3952578323173626
Energy: 2.1284641382074487
Energy: 1.1832567556794371
Energy: 1.1610189791055032
Energy: 1.9539566188764244
Energy: 1.1346140170923091

minimum gb energy = 1.0782437638491191 eV
minimum distance =  2.25507323807759 Angstroms
sigma value = 43


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

Energy: 1.995304285794739
Energy: 1.3002489552982404
Energy: 1.223163543731573
Energy: 1.1711938999047142
Energy: 2.196797928996116
Energy: 1.169221562679872
Energy: 1.139288584413129
Energy: 1.1501096542251743
Energy: 1.13824939127688
Energy: 1.1782490306363749
Energy: 1.137823045721833
Energy: 1.1536896658389892
Energy: 1.1438473565385425
Energy: 1.139174875494795
Energy: 1.1389009399514851
Energy: 1.2578273841376797
Energy: 1.1393081086559276
Energy: 1.1681096932638853
Energy: 1.1426491621979769
Energy: 1.1385323164426595
Energy: 1.1436377835372717
Energy: 1.142792586394292
Energy: 1.138882958980181
Energy: 1.1445189584716746
Energy: 1.125261478516184
Energy: 1.140667587500923
Energy: 1.139920422459928
Energy: 1.1330900473946324
Energy: 1.1408153416465856
Energy: 1.1394237731930879
Energy: 1.1245898221328252
Energy: 1.1406415679522914
Energy: 1.140762043558145
Energy: 1.14056619517626
Energy: 1.1406132266535325
Energy: 1.1409556806163643
Energy: 1.1174148408478892
Energy: 1.1250945436378317
Energy: 1.1323182537786847
Energy: 1.1265857142726983
Energy: 1.1261132818310833
Energy: 1.1354615220984516
Energy: 1.1639767887714998
Energy: 1.1452454361745552
Energy: 1.1946426190711403
Energy: 1.121867289514057
Energy: 1.1453971357389345
Energy: 1.1443483271657768
Energy: 1.1175223075099099
Energy: 1.1441455249690549
Energy: 1.1433962196319223
Energy: 1.1387774389216803
Energy: 1.1433867454264983
Energy: 1.1449699577043189
Energy: 1.3473174392545264
Energy: 1.1414328144082104
Energy: 1.1915675152020826
Energy: 1.1863880455724012
Energy: 1.1409404286307765
Energy: 1.1785677173768354
Energy: 1.1100777179339176
Energy: 1.162247428922742
Energy: 1.162059554663777
Energy: 1.1368338325261975
Energy: 1.1978114693321904
Energy: 1.152309982307154
Energy: 1.2518218807050967
Energy: 1.143935549788009
Energy: 1.1673338387780066
Energy: 1.138243789450447
Energy: 1.1439853394161217
Energy: 1.1673542842823745
Energy: 1.3356840237670111
Energy: 1.142953692467035
Energy: 1.1428300931858417
Energy: 1.1389054310826032
Energy: 1.188716245074542
Energy: 1.1446291900097143
Energy: 1.1104153953591136
Energy: 1.1512917176505733
Energy: 1.1511943851301114
Energy: 1.1436805743128453
Energy: 1.1269527107909478
Energy: 1.1516805442415037
Energy: 1.1094376735718627
Energy: 1.1339831383215895
Energy: 1.1537632880190278
Energy: 1.1539134359403072
Energy: 1.130214886924943
Energy: 1.1333063561645071
Energy: 1.1053596941129757
Energy: 1.139941394287832
Energy: 1.1210299696437094
Energy: 1.1050139799846357
Energy: 1.1390207118072373
Energy: 1.1258006743445412
Energy: 1.1279804875113664
Energy: 1.130796444751288
Energy: 1.1302095419998246
Energy: 1.1278227915548464
Energy: 1.1304047422942811
Energy: 1.129755954916267
Energy: 1.1282423622409103
Energy: 1.1271463611831822
Energy: 1.1547771944038745
Energy: 1.1434780953296713
Energy: 1.1431134763373705
Energy: 1.1538474840851067
Energy: 1.118049668438085
Energy: 1.1293787883630169
Energy: 1.128116741967828
Energy: 1.1416123600084875
Energy: 1.2002227364212958
Energy: 1.1670903351892765
Energy: 1.3989194177136912
Energy: 1.1279593291901526
Energy: 1.128909015308476
Energy: 1.141313347008147
Energy: 1.1870999771463062
Energy: 1.1415156089580571
Energy: 1.12867289688799
Energy: 1.1576308590268445
Energy: 1.1275271528318103
Energy: 1.1429472343208142
Energy: 1.1121655569369229
Energy: 1.127371659277578
Energy: 1.2600607562824166
Energy: 1.1450761444102546
Energy: 1.1459318463040762
Energy: 1.2599770780156603
Energy: 1.1042967281386349
Energy: 1.2270491476321874
Energy: 1.1463492006505887
Energy: 1.1285828390494184
Energy: 1.1282751528678345
Energy: 1.1092177956955118
Energy: 1.1298110609399798
Energy: 1.1576628929903254
Energy: 1.2231791132853311
Energy: 1.1305686210168515
Energy: 1.1310921786908248
Energy: 1.1169039073097948
Energy: 1.25090774854782
Energy: 1.15707416710748
Energy: 1.228736916530835
Energy: 1.1256629260505127
Energy: 1.128601121248298
Energy: 1.1548111211050076
Energy: 1.1250540222040408
Energy: 1.1553363661910323
Energy: 1.1914595879980974
Energy: 1.130375562502216
Energy: 1.1519905806100443
Energy: 1.1500632659226793
Energy: 1.1096336763067736
Energy: 1.1530928809309406
Energy: 1.1905838839528133
Energy: 1.1349580610464418
Energy: 1.1509562880474962
Energy: 1.1516727752195388
Energy: 1.136663294353723
Energy: 1.151487888477619
Energy: 1.175389213523093
Energy: 1.151067089200362
Energy: 1.1512298653636452
Energy: 1.1428248454627659
Energy: 1.1382703656098911
Energy: 1.1350418329825156
Energy: 1.173482296714924
Energy: 1.14292141295253
Energy: 1.1429952409686743
Energy: 1.1627019670464847
Energy: 1.1055506128251538
Energy: 1.1428973278718333
Energy: 1.1442327117500566
Energy: 1.1359135998081153
Energy: 1.1530803253150872
Energy: 1.168211130121859
Energy: 1.137796804206717
Energy: 1.1247582011102046
Energy: 1.4152512017047094
Energy: 2.414766632100723
Energy: 1.1335302213510305
Energy: 1.1493686250955932
Energy: 2.377428165284713
Energy: 1.133560206212214

minimum gb energy = 1.1042967281386349 eV
minimum distance =  2.27037483826062 Angstroms
sigma value = 57


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

Energy: 1.404075316753293
Energy: 1.266257380263048
Energy: 1.1541109644257772
Energy: 1.0414259578938367
Energy: 1.8373765916340175
Energy: 1.2670941938888585
Energy: 1.15296714578836
Energy: 1.1734740982175835
Energy: 1.1542918578739185
Energy: 1.098480326637605
Energy: 1.1550452727874119
Energy: 1.1529325365695964
Energy: 1.236492896533516
Energy: 1.1436549780455367
Energy: 1.143717220069476
Energy: 1.1191964491231037
Energy: 1.1609433866505867
Energy: 1.144534710759522
Energy: 1.2372147044468849
Energy: 1.1591717326965796
Energy: 1.1598512220217492
Energy: 1.2452793904971324
Energy: 1.1592915865109295
Energy: 1.0831118888033584
Energy: 1.2332550392519126
Energy: 1.2330291198397714
Energy: 1.2416625480170653
Energy: 1.2270944437597935
Energy: 1.2421393418575377
Energy: 1.23205724064729
Energy: 1.1089951011155854
Energy: 1.2290067977186085
Energy: 1.236364380090956
Energy: 1.2459921158543552
Energy: 1.2315041727820895
Energy: 1.227782097833816
Energy: 1.2492313339347312
Energy: 1.2384691683008389
Energy: 1.2389388349573165
Energy: 1.1857874634485366
Energy: 1.2556087562995393
Energy: 1.2410085891139353
Energy: 1.1778689514521554
Energy: 1.25137088337106
Energy: 1.2518528085469236
Energy: 1.149485466165802
Energy: 1.2822097047117567
Energy: 1.2502218289578024
Energy: 1.2447251184745798
Energy: 1.2668373336733274
Energy: 1.267575685433169
Energy: 1.211008503112916
Energy: 1.2719058587797192
Energy: 1.2665736194221848
Energy: 1.4466922475990616
Energy: 1.2026081687000922
Energy: 1.2021122234605652
Energy: 1.3017363601511858
Energy: 1.2029134159928057
Energy: 1.2014087728880187
Energy: 1.168686418537592
Energy: 1.1998648581732374
Energy: 1.213983886413918
Energy: 1.2994222974015446
Energy: 1.168701339019385
Energy: 1.3190390911699958
Energy: 1.036472261910537
Energy: 1.2361923847545098
Energy: 1.2356995659398065
Energy: 1.0795596866521384
Energy: 1.2359577820435883
Energy: 1.1904031705403695
Energy: 1.0357368120310526
Energy: 1.2356572496504528
Energy: 1.1946243156437122
Energy: 1.191057176365533
Energy: 1.2355751982725323
Energy: 1.192240499771735
Energy: 1.3190088246469511
Energy: 1.2101395662319419
Energy: 1.213593438984119
Energy: 1.3194066974263483
Energy: 1.3159521139945118
Energy: 1.2137885870511496
Energy: 1.236738440078922
Energy: 1.1083086986454949
Energy: 1.1072834562649942
Energy: 1.2390784894917135
Energy: 1.1282499756736786
Energy: 1.1059525053461288
Energy: 1.2347951631758047
Energy: 1.236602474007232
Energy: 1.2118975830534846
Energy: 1.2219151274342193
Energy: 1.2358468129118194
Energy: 1.2136836870928904
Energy: 1.2487314477360367
Energy: 1.2303112940823577
Energy: 1.2321777317067408
Energy: 1.2105061611254475
Energy: 1.230993320412478
Energy: 1.230375861537239
Energy: 1.2496741905317004
Energy: 1.2407617226117147
Energy: 1.2418733829470918
Energy: 1.2317740244815194
Energy: 1.2290360677387984
Energy: 1.2408052251932005
Energy: 1.2431447600757994
Energy: 1.2650002311653679
Energy: 1.2690153632322703
Energy: 1.2390145393217031
Energy: 1.2571029525117539
Energy: 1.264849951572595
Energy: 1.2426968735801933
Energy: 1.2664055639896106
Energy: 1.2731277931438851
Energy: 1.258199570186064
Energy: 1.273686398355584
Energy: 1.2671413872968589
Energy: 1.2452293415741023
Energy: 1.1858365976306486
Energy: 1.2543920158431383
Energy: 1.2476879613697316
Energy: 1.269222508575304
Energy: 1.1225855669777796
Energy: 1.457495701193549
Energy: 1.1643226960747433
Energy: 1.1669354497789846
Energy: 1.2098703729570768
Energy: 1.18824366008366
Energy: 1.24283313024851
Energy: 1.234263176828524
Energy: 1.1860063301281367
Energy: 1.1762490951464357
Energy: 1.0975864583048909
Energy: 1.1689904862135816
Energy: 1.1281226884057975
Energy: 1.1506160796940856
Energy: 2.0541316858476106
Energy: 1.195102759966799
Energy: 1.1909419479699574
Energy: 1.15313612752967
Energy: 1.2683686840132395

minimum gb energy = 1.0357368120310526 eV
minimum distance =  2.2422658189803 Angstroms
sigma value = 17


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

Energy: 1.2756309351514497
Energy: 1.2482904357451525
Energy: 1.2459422132817306
Energy: 1.051003766108104
Energy: 2.1372020221637626
Energy: 1.0502381069771625
Energy: 0.9995262221115933
Energy: 1.1482382858589768
Energy: 1.0903353133556464
Energy: 1.1066035940425907
Energy: 1.1332462064198916
Energy: 1.0900610799199904
Energy: 1.1178028971877985
Energy: 1.0818012989234724
Energy: 1.0835856165192963
Energy: 1.103923407636845
Energy: 1.0805157253525977
Energy: 1.0278327251752402
Energy: 1.1204532523003015
Energy: 1.0808987901639622
Energy: 1.0456344375161972
Energy: 1.1224331233368388
Energy: 1.0556537820236853
Energy: 1.104335272143774
Energy: 0.9844823199835709
Energy: 1.0505038502753354
Energy: 1.0491854472597253
Energy: 0.9853640793459705
Energy: 1.0428277658467704
Energy: 1.0486912722850652
Energy: 1.0004060780180215
Energy: 1.0502579315181195
Energy: 1.0479647588362837
Energy: 1.0167139281337785
Energy: 0.9717541939143838
Energy: 1.015469046226642
Energy: 0.9848268498954809
Energy: 0.9705241247897801
Energy: 1.0009029375276075
Energy: 1.0179833916639125
Energy: 0.9710453066897786
Energy: 0.9978408797232129
Energy: 0.972429498590457
Energy: 1.0226606316595148
Energy: 1.0202940448725248
Energy: 1.0228138400722124
Energy: 1.0218071007191392
Energy: 1.0396206235563683
Energy: 0.9742261346875696
Energy: 1.0211070758665668
Energy: 1.0200480378130894
Energy: 0.9709430135083417
Energy: 1.0205134918985361
Energy: 0.9975766104736465
Energy: 0.971990523491194
Energy: 1.04881167357665
Energy: 1.0483536161582365
Energy: 0.9712128191958058
Energy: 1.0487312800513167
Energy: 1.0176645749274484
Energy: 0.9715339382466182
Energy: 1.0483081843882915
Energy: 1.048843420364199
Energy: 1.0166789104665983
Energy: 1.0675437020679057
Energy: 1.0501025455686712
Energy: 1.1030289479983164
Energy: 1.104012665171892
Energy: 1.1039802365181879
Energy: 1.0506279509411627
Energy: 1.1036962118882916
Energy: 1.1040039980311251
Energy: 1.1021231551012645
Energy: 1.1359832716898615
Energy: 1.1355693466952792
Energy: 1.0167231233812042
Energy: 1.1339100829745132
Energy: 1.1355640512612781
Energy: 1.1202023511345456
Energy: 1.1472379645906159
Energy: 1.1451401678935655
Energy: 1.1070785981852649
Energy: 1.1058894504163006
Energy: 1.0908141769910262
Energy: 1.1993782572317402
Energy: 1.130883863874483
Energy: 1.1304041361591266
Energy: 1.1448148424061475
Energy: 1.130570996291025
Energy: 1.1775730649535106
Energy: 1.192524174210421
Energy: 1.1641436251605142
Energy: 1.0958815149598684
Energy: 1.1059316738157727
Energy: 1.6925063520477197
Energy: 1.14687355726408
Energy: 1.0891021726056587
Energy: 1.1460475937472379
Energy: 1.2056219196578264
Energy: 1.0008290251307776
Energy: 1.133578474279963
Energy: 1.2055273342949722

minimum gb energy = 0.9705241247897801 eV
minimum distance =  2.29193409006973 Angstroms
sigma value = 17


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

Energy: 0.8975576521179043
Energy: 1.2074210962249319
Energy: 1.021775651292957
Energy: 1.0206483687790548
Energy: 1.9846502971840962
Energy: 1.0215441864120933
Energy: 0.9831832865126657
Energy: 1.102569111303309
Energy: 0.9917963967524973
Energy: 1.0792659200694308
Energy: 1.080313753246259
Energy: 1.031913053068562
Energy: 1.3003560391704998
Energy: 0.9572049726198175
Energy: 1.0066555408340838
Energy: 1.0799741877420137
Energy: 0.9572325088110425
Energy: 0.9843455827026125
Energy: 1.0836356981863917
Energy: 1.0063563522223355
Energy: 1.0071379540819418
Energy: 1.0831613598641967
Energy: 0.9588714234182577
Energy: 0.9845984372688472
Energy: 0.9522678912007777
Energy: 0.9764562267311495
Energy: 0.9932542211843115
Energy: 0.9532890041688077
Energy: 0.9733207436600866
Energy: 0.9946716564228391
Energy: 0.8651772618513766
Energy: 0.937837067077892
Energy: 0.9540256012731058
Energy: 0.9567877267914993
Energy: 0.9389594309560361
Energy: 0.9548317970330772
Energy: 0.8771391520242185
Energy: 0.938854630043875
Energy: 0.9396961315420433
Energy: 0.9127971384226116
Energy: 0.9420467225898812
Energy: 0.9429067531519018
Energy: 0.8770151919752425
Energy: 0.9326086725608901
Energy: 0.9444800282370506
Energy: 0.9577687539101264
Energy: 0.9325369518759896
Energy: 0.9446454687400702
Energy: 0.8788345094426695
Energy: 0.9429060038442652
Energy: 0.9177766357792821
Energy: 0.8803874417739505
Energy: 0.9127898422052968
Energy: 0.8781774745858252
Energy: 0.8778604915873497
Energy: 0.9370184156457613
Energy: 0.9381456637453988
Energy: 0.8774696727184231
Energy: 0.9358014091266109
Energy: 0.9380228849931386
Energy: 0.8912781705683208
Energy: 0.9197133068348536
Energy: 0.9363262902199614
Energy: 0.9359118921160393
Energy: 0.877205222463343
Energy: 0.9361483922532514
Energy: 0.8801961749244411
Energy: 0.8784176255602706
Energy: 0.8778893673348391
Energy: 0.881304684118068
Energy: 0.8839478574782409
Energy: 0.9190640554336471
Energy: 0.8773614267833194
Energy: 0.9462044841540332
Energy: 0.9447994711792184
Energy: 0.9437722258138938
Energy: 0.9224859148297846
Energy: 0.943380157119816
Energy: 0.9400759664607521
Energy: 0.9521060920053815
Energy: 0.9506404431978186
Energy: 0.9393051715010678
Energy: 0.945482540889202
Energy: 0.937946787961749
Energy: 0.9390027700695326
Energy: 0.9471890100835906
Energy: 0.9459325080056848
Energy: 0.9384293615941942
Energy: 0.9477405187943446
Energy: 1.002181634191726
Energy: 0.9425795385209392
Energy: 0.9933180067022029
Energy: 0.9914227905103739
Energy: 0.9734722135791052
Energy: 0.9889115973727809
Energy: 0.97471849636523
Energy: 0.8788911073829869
Energy: 1.0804037619382565
Energy: 1.0803966832691296
Energy: 0.9150453774074875
Energy: 1.0800191440819416
Energy: 0.9379078918332763
Energy: 0.8788598586500256
Energy: 1.0920671042996908
Energy: 1.0897391914323244
Energy: 0.9774855158467712
Energy: 1.0805318676184978
Energy: 0.9739846968923247
Energy: 1.0966302053899544
Energy: 1.0797751043225952
Energy: 1.0300661109560474
Energy: 1.0807723733054844
Energy: 0.9874346609633504
Energy: 1.0398600474897655
Energy: 1.2377233699822268
Energy: 0.976374103475171
Energy: 0.9782880137500771
Energy: 1.1453928495856716
Energy: 0.9760305343265903
Energy: 1.1172704323116909
Energy: 1.2120979562765006
Energy: 1.058359142680273
Energy: 1.0857071302121077
Energy: 1.082807203845715
Energy: 1.0803040077255923
Energy: 1.0285363053512973
Energy: 0.8915036262679344
Energy: 2.1726658647632613
Energy: 1.1730421963721596
Energy: 0.9861413516713431
Energy: 1.1072944338536452
Energy: 0.9857438478078516
Energy: 0.8963250825218395
Energy: 1.103170148385712
Energy: 1.7044052890417292
Energy: 0.9290622895819656
Energy: 1.1031643331622238
Energy: 1.153385885127065
Energy: 1.325009215848845
Energy: 1.0086202700353535
Energy: 1.9281303968393764
Energy: 1.0817859193607133
Energy: 0.9546988452035563
Energy: 1.0586686018080986
Energy: 1.080531598621664
Energy: 0.9587849091487108
Energy: 1.0068164857144664
Energy: 1.0808189304702842
Energy: 0.9596470992293523
Energy: 0.9861833148925149
Energy: 0.9558335598688804
Energy: 0.9778757192093023
Energy: 0.9917048912033837
Energy: 0.9559103203252514
Energy: 0.9756858371049204
Energy: 0.9952746249132987
Energy: 0.8637506956932715
Energy: 0.9830417130078054
Energy: 0.9830246170199342
Energy: 0.9563479255294133
Energy: 0.9993581863597474
Energy: 0.9548127283548686
Energy: 0.8615114657323675
Energy: 0.9390636517186416
Energy: 0.9386603574494911
Energy: 0.8619669950054253
Energy: 0.9409926070809254
Energy: 0.9387472327640515
Energy: 0.877256191730014
Energy: 0.9453235140841378
Energy: 0.9461568484065447
Energy: 0.9543085604802682
Energy: 0.9402617877740818
Energy: 0.9451882602005547
Energy: 0.8786182217279779
Energy: 0.9321303321430815
Energy: 0.9435060675029614
Energy: 0.8782558823257224
Energy: 0.9322030613318001
Energy: 0.9431620307888625
Energy: 0.8836759905919802
Energy: 0.9392336369280956
Energy: 0.9382516995511316
Energy: 0.8850949753582998
Energy: 0.9362075573671895
Energy: 0.9152694432515129
Energy: 0.8904674213212167
Energy: 0.9401191655120342
Energy: 0.9397188364702003
Energy: 0.9469074586796484
Energy: 0.9367910416291106
Energy: 0.940220384890362
Energy: 0.9734756743762749
Energy: 0.8776779718486599
Energy: 0.8781563792555673
Energy: 0.9735457279472425
Energy: 0.8792168951267805
Energy: 0.8779280685262515
Energy: 0.9751395737003953
Energy: 0.9427705894433386
Energy: 0.9586645892562049
Energy: 0.9514997880265119
Energy: 0.9196936218021505
Energy: 0.948538097883884
Energy: 0.9470068099660761
Energy: 0.9476671544448072
Energy: 0.9475169691493377
Energy: 0.9383718866654662
Energy: 0.9492662716421054
Energy: 0.9489761296053696
Energy: 0.9391794063868466
Energy: 0.945124963134565
Energy: 0.9832338368338834
Energy: 0.9393447578275589
Energy: 0.9452071966262828
Energy: 0.9746530354339642
Energy: 0.9390876008503415
Energy: 0.9904773345412237
Energy: 0.9914026330852919
Energy: 0.9783545711835859
Energy: 1.0078719420325202
Energy: 0.976435792950848
Energy: 0.8761205661158167
Energy: 1.0794241554247572
Energy: 1.0799532212719167
Energy: 0.9685340139266106
Energy: 1.0827887581896556
Energy: 0.9778097922527504
Energy: 0.8786236420465017
Energy: 1.0917349663255473
Energy: 0.9754189588661902
Energy: 0.9741043372445989
Energy: 1.1078908855638778
Energy: 0.9762472949169424
Energy: 0.9382086419519762
Energy: 1.071194061162066
Energy: 1.0771144359499298
Energy: 0.955151036998843
Energy: 1.084184472249765
Energy: 1.029005797258739
Energy: 1.1135431034359708
Energy: 0.9797345716541899
Energy: 1.0784574341058895
Energy: 1.1070801376231145
Energy: 0.9756799280750963
Energy: 1.0796968807782052
Energy: 1.3166948960519895
Energy: 1.0297219322645983
Energy: 1.0916345619012808
Energy: 1.082254687039616
Energy: 1.0084623811590576
Energy: 1.6270263857885097
Energy: 0.8978181115740945
Energy: 1.1058171340930394
Energy: 1.0905603510929138
Energy: 0.929547502579245
Energy: 1.1110845178931401
Energy: 1.1524966559549643

minimum gb energy = 0.8615114657323675 eV
minimum distance =  2.27135717458759 Angstroms
sigma value = 57


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

Energy: 1.0015553011186729
Energy: 1.1528507790323814
Energy: 0.9928820036735068
Energy: 0.9698471383745845
Energy: 2.5594023080784867
Energy: 1.0343580697385881
Energy: 0.9591487221525355
Energy: 0.9506657657098115
Energy: 0.9421609589060961
Energy: 1.0412597596653723
Energy: 1.0494422779125783
Energy: 0.9890297650311375
Energy: 1.2294071794815713
Energy: 0.9058655589098852
Energy: 0.9109098706608026
Energy: 1.0500832699624727
Energy: 0.9061054971894004
Energy: 0.962416130479863
Energy: 1.0457807851756076
Energy: 0.905505943548966
Energy: 0.9750562837541052
Energy: 1.0469114999959568
Energy: 0.9034709344248487
Energy: 0.9603438331815203
Energy: 0.900369701209475
Energy: 0.9353921386358557
Energy: 0.943639716572094
Energy: 0.9010602080834318
Energy: 0.9144467340367924
Energy: 0.9431296374102134
Energy: 0.8002869680567662
Energy: 0.9116030582322636
Energy: 0.904583330349145
Energy: 0.8747635153655423
Energy: 0.9117037926698843
Energy: 0.9048195645793207
Energy: 0.8393186639411099
Energy: 0.9130215310088317
Energy: 0.9167976607823244
Energy: 0.9035995562830473
Energy: 0.9177421574515893
Energy: 0.8998557110513731
Energy: 0.8415824410441022
Energy: 0.8703306553804239
Energy: 0.8704182906443936
Energy: 0.8793023642236225
Energy: 0.8702987455089981
Energy: 0.8875975253006515
Energy: 0.8437045424486501
Energy: 0.8868771394149514
Energy: 0.8402307170843738
Energy: 0.8445391226248204
Energy: 0.8475481554215955
Energy: 0.839816091176375
Energy: 0.8396516873112672
Energy: 0.8928885118179343
Energy: 0.8751654272654543
Energy: 0.8399708220255268
Energy: 0.8907555349967057
Energy: 0.8764037016627262
Energy: 0.8153971700246543
Energy: 0.8074091510709114
Energy: 0.8749983218708939
Energy: 0.8658630650634405
Energy: 0.8081737260671047
Energy: 0.866009466222445
Energy: 0.9036921961436757
Energy: 0.8170535557802616
Energy: 0.8076954075670015
Energy: 0.9057531312201992
Energy: 0.8150175607523066
Energy: 0.8463574868423107
Energy: 0.8068964758604978
Energy: 0.9094602010857546
Energy: 0.9060221476879816
Energy: 0.8677421637040941
Energy: 0.9074491012167583
Energy: 0.8874458069601247
Energy: 0.8086585897813572
Energy: 0.8678024737757974
Energy: 0.8067974292477047
Energy: 0.810794739723341
Energy: 0.8915752649329326
Energy: 0.8075945237517004
Energy: 0.8080126095346939
Energy: 0.8703320256000261
Energy: 0.8687996602207343
Energy: 0.807451359463832
Energy: 0.895265999588156
Energy: 0.8664956805689318
Energy: 0.9129349594522882
Energy: 0.839402036050547
Energy: 0.8740610406888017
Energy: 0.8733785411079925
Energy: 0.8525617459051542
Energy: 0.8721528221228745
Energy: 0.8101422898296388
Energy: 0.8402441597154966
Energy: 0.839956385823664
Energy: 0.871481007717827
Energy: 0.8490223299568044
Energy: 0.8967646553537496
Energy: 0.8109046583142399
Energy: 0.8799535670461299
Energy: 0.8965260979838621
Energy: 0.8567292861553862
Energy: 0.8771172527468226
Energy: 0.8995795923167788
Energy: 0.9121753367221658
Energy: 0.9013962650875526
Energy: 0.9037350861291004
Energy: 0.9137302937533457
Energy: 0.8891682892497209
Energy: 0.9120737712132236
Energy: 0.9104659627400129
Energy: 0.8913057353413331
Energy: 0.8917710033806691
Energy: 0.9108724254926581
Energy: 0.8920603460491003
Energy: 0.9446457254112021
Energy: 1.0506525466872287
Energy: 0.939899007744023
Energy: 0.9415066655190097
Energy: 0.9349090113589392
Energy: 0.9378969445916195
Energy: 0.9577332879829269
Energy: 0.8084507370789479
Energy: 1.0422933881080596
Energy: 0.9115584906170071
Energy: 0.8906692292587804
Energy: 1.0420693739456732
Energy: 0.9502547008387262
Energy: 0.8455370328475659
Energy: 1.0674918398779192
Energy: 1.0227253980597324
Energy: 0.8463770168015659
Energy: 1.047273734694814
Energy: 1.0097292729108807
Energy: 1.1535692389110683
Energy: 0.9354226611238443
Energy: 0.9444575190847638
Energy: 1.0336454449713453
Energy: 0.949588169572933
Energy: 0.9571403406452004
Energy: 1.2332145645637258
Energy: 0.9344284603593033
Energy: 0.9342945431343611
Energy: 1.0418251390754782
Energy: 0.9340427542912487
Energy: 1.0618683127388742
Energy: 1.2447822106679762
Energy: 1.0395735653002622
Energy: 1.0522413075814934
Energy: 1.047956870238922
Energy: 1.0205624136474218
Energy: 0.9985628461440009
Energy: 0.814747815541012
Energy: 3.2558184415259266
Energy: 0.9605729204925486
Energy: 0.8648447751092638
Energy: 2.256889323944782
Energy: 0.9604201721478822

minimum gb energy = 0.8002869680567662 eV
minimum distance =  2.27473238666821 Angstroms
sigma value = 43


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

Energy: 0.7098953236809745
Energy: 2.0077574043339514
Energy: 0.9266839218420074
Energy: 0.8344699634436784
Energy: 2.0014836655225383
Energy: 0.8696501969393285
Energy: 1.7193399183930067
Energy: 0.8306203111644633
Energy: 0.8157254971053707
Energy: 1.896988158918044
Energy: 0.8257009727344953
Energy: 0.8130622987152001
Energy: 1.0664469149297169
Energy: 0.7681251612440467
Energy: 0.7966160541820579
Energy: 0.9235690831692361
Energy: 0.767739233652247
Energy: 0.7966230724916222
Energy: 0.9237880760532076
Energy: 0.7969503974611033
Energy: 0.7967126851819372
Energy: 0.827352189295406
Energy: 0.7863819653374559
Energy: 0.8521258978741866
Energy: 0.7333304878269596
Energy: 0.8126281570606034
Energy: 0.8147191038052362
Energy: 0.7335842840926217
Energy: 0.8249423923599992
Energy: 0.8130991959938614
Energy: 0.8514544131852698
Energy: 1.6925092964640605
Energy: 0.7896751748709406
Energy: 0.7475206793953172
Energy: 0.820931617230521
Energy: 0.7636763888664295
Energy: 1.003136326801465
Energy: 0.8217575390069871
Energy: 0.8648620011236755
Energy: 0.7726998024763114
Energy: 0.8217013135274617
Energy: 0.7718149793299213
Energy: 0.9738398381866127
Energy: 0.7446922804022602
Energy: 0.7569118325313149
Energy: 0.7721481446457477
Energy: 0.7422283754460257
Energy: 0.7565084487911611
Energy: 0.7611984665994229
Energy: 0.7560460102277592
Energy: 0.7585291173121235
Energy: 0.7635179813206376
Energy: 0.7028753781842874
Energy: 0.7576687640213816
Energy: 0.8007428959230828
Energy: 0.7476898445723669
Energy: 0.7482920069356295
Energy: 0.8039945091921403
Energy: 0.7471693477450576
Energy: 0.7480879992141889
Energy: 0.6824108319296548
Energy: 0.7182655789888078
Energy: 0.7478220310351943
Energy: 0.7631424768111374
Energy: 0.7182224397212229
Energy: 0.7404014526131195
Energy: 0.757734998837615
Energy: 0.7184689136254877
Energy: 0.7195766818292425
Energy: 0.7507884856433188
Energy: 0.7193110777934516
Energy: 0.7521835122648943
Energy: 0.6961361358598468
Energy: 0.7600225505367512
Energy: 0.7688668324440081
Energy: 0.7643091521557528
Energy: 0.7592015111266275
Energy: 0.770254380141118
Energy: 0.6958175131540484
Energy: 0.735655284485549
Energy: 0.6951490127752626
Energy: 0.6978718831855
Energy: 0.8167078577681026
Energy: 0.6954605946928281
Energy: 0.6951457069882707
Energy: 0.7313927251776939
Energy: 0.7303923872844096
Energy: 0.6951595015975325
Energy: 0.7315821884533176
Energy: 0.7369473564458027
Energy: 0.6889481582126894
Energy: 0.6846106213051034
Energy: 0.6847693910316767
Energy: 0.7313876882770947
Energy: 0.6848422421557402
Energy: 0.7438154175213677
Energy: 0.6994783992163207
Energy: 0.6848117018893523
Energy: 0.6844771929377775
Energy: 0.7401027872275153
Energy: 0.6847572574716728
Energy: 0.7342172658611312
Energy: 0.6838445823356032
Energy: 0.7559903354785925
Energy: 0.755548306607068
Energy: 0.6845937608745674
Energy: 0.7533672593466908
Energy: 0.743957299600362
Energy: 0.6848232513498711
Energy: 0.7773940842462073
Energy: 0.6846300022429552
Energy: 0.6861596722550449
Energy: 0.8103941256853824
Energy: 0.684807435765852
Energy: 0.6840957033356706
Energy: 0.7566317637512563
Energy: 0.7604334705055167
Energy: 0.6845692082735522
Energy: 0.7568935451908625
Energy: 0.7581984826859223
Energy: 0.7225963022913141
Energy: 0.6955700367375264
Energy: 0.6952522064326172
Energy: 0.7417062303732745
Energy: 0.6957334825375672
Energy: 0.7422587112597633
Energy: 0.6864912242932021
Energy: 0.6954190166689448
Energy: 0.6957421830329582
Energy: 0.7343369824102538
Energy: 0.6954338565219481
Energy: 0.7346820288887812
Energy: 0.7184159115239204
Energy: 0.7364692253374626
Energy: 0.7361378023786667
Energy: 0.7194444971382177
Energy: 0.7256654515154296
Energy: 0.7365981562698272
Energy: 0.7190721138770926
Energy: 0.7561909571450381
Energy: 0.7183525300413609
Energy: 0.7214579592400898
Energy: 0.7648570145777454
Energy: 0.7184903690975306
Energy: 0.9455615583057597
Energy: 0.7530923386549944
Energy: 0.7680302572222137
Energy: 0.7469950016280941
Energy: 0.7527825822613979
Energy: 0.768372834893647
Energy: 0.826362713202215
Energy: 0.7577738204740384
Energy: 0.7593927575487639
Energy: 0.7575375740163016
Energy: 0.7580910437466053
Energy: 0.7587859135122208
Energy: 0.6855340492115813
Energy: 0.7577357927980195
Energy: 0.7714631303063709
Energy: 0.7569859067411906
Energy: 0.7576083592940636
Energy: 0.7508066019608147
Energy: 0.758250487181265
Energy: 0.7730638391059667
Energy: 0.7741799782155478
Energy: 0.718232986907274
Energy: 0.7724955139462645
Energy: 0.7713659390196436
Energy: 0.824318844318914
Energy: 0.7754559114357956
Energy: 0.821691200226444
Energy: 0.8263540275263304
Energy: 0.7180384240622485
Energy: 0.821183555554015
Energy: 1.009216603125323
Energy: 0.7570986847392162
Energy: 0.7762834559097155
Energy: 0.8216685205395159
Energy: 0.7565678363610728
Energy: 0.7761306934246907
Energy: 1.03524482301478
Energy: 0.8261916308072351
Energy: 0.8668530736938762
Energy: 0.8441728689573018
Energy: 0.825982752368739
Energy: 0.815172610745152
Energy: 0.8616808656295721
Energy: 1.8591435935636516
Energy: 0.8153008905706665
Energy: 0.7645022135758696
Energy: 0.9232422965499025
Energy: 0.7952854619694151
Energy: 0.7577780308122982
Energy: 0.8608525600089618
Energy: 0.8642711427244238
Energy: 0.7845345955220278
Energy: 0.8824735718219121
Energy: 0.8628611593435362
Energy: 1.0077643382372559
Energy: 0.828140682642169
Energy: 0.8214009731576775
Energy: 0.8277490870059253
Energy: 0.8264164679079272
Energy: 0.8720114426373159
Energy: 1.0662722295356772
Energy: 0.8020141911580982
Energy: 0.8396921540563889
Energy: 0.9233869035303744
Energy: 0.8010019554330499
Energy: 0.8323165959388541
Energy: 1.8986187318174268
Energy: 0.8601562278552438
Energy: 0.8629033101828723
Energy: 2.277668973048044
Energy: 0.8713196751092448
Energy: 0.8140784774757676

minimum gb energy = 0.6824108319296548 eV
minimum distance =  2.32861387999702 Angstroms
sigma value = 81


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

Energy: 0.08668193321178544
Energy: 0.13700815683681644
Energy: 0.0876415884574921
Energy: 0.0895394654247021
Energy: 2.05318950169675
Energy: 0.08741942557191565
Energy: 0.13823999453238114
Energy: 0.0886169346061593
Energy: 1.8266445318611657
Energy: 2.2261245766812707
Energy: 0.0885759668447752
Energy: 2.0038464570632364
Energy: 0.1378364452308776
Energy: 0.0873269590959092
Energy: 0.08725443809844323
Energy: 2.433910992366549
Energy: 0.08716982973024692
Energy: 0.13705929172609418
Energy: 0.09158775807327489
Energy: 0.08732005038235613
Energy: 0.08740593888442093
Energy: 1.7567927761391073
Energy: 0.08719132097660832
Energy: 0.13774341738057105
Energy: 0.13711715330434607
Energy: 2.0515221476246666
Energy: 2.0174074631282184
Energy: 0.13835797912872175
Energy: 0.13719399960927472
Energy: 1.7430453366574918
Energy: 0.08808458049716357
Energy: 1.9809397178661454
Energy: 0.08718187614091578
Energy: 0.09009089445530462
Energy: 1.999928772234813
Energy: 0.0875920112790615
Energy: 2.063703173017737
Energy: 0.08839941000196579
Energy: 0.08877087644527765
Energy: 2.331705737021484
Energy: 1.9022502025866876
Energy: 1.8561498212341478
Energy: 0.13796056073233426
Energy: 0.0874480409147156
Energy: 0.08748412337078372
Energy: 2.337955755192551
Energy: 0.08723960185060438
Energy: 0.13972729575048312
Energy: 0.08971949483805117
Energy: 0.08746863505223577
Energy: 0.13884396238656246
Energy: 1.7575323574704784
Energy: 0.08739298649017078
Energy: 0.13976160696422132
Energy: 0.08779441847865734
Energy: 2.0372754712516574
Energy: 1.90922480604173
Energy: 0.08761719011159749
Energy: 2.0578010930107022
Energy: 1.8619245443674814

minimum gb energy = 0.08668193321178544 eV
minimum distance =  0.00037975308934787 Angstroms
sigma value = 3


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

Energy: 0.9089399916951026
Energy: 1.8504338761207837
Energy: 0.8833583404761286
Energy: 0.7328261096687855
Energy: 2.2777050734619873
Energy: 0.8100015300548404
Energy: 0.8641096167080112
Energy: 0.9054002596436104
Energy: 0.9075350602193115
Energy: 0.8348380961053333
Energy: 0.9100676621994722
Energy: 0.9064569824806641
Energy: 0.9098425568182745
Energy: 0.8095793529294877
Energy: 0.8096036097624077
Energy: 0.8888902078792256
Energy: 0.83370882176882
Energy: 0.8731232107247822
Energy: 0.837678956383511
Energy: 0.8334203663178562
Energy: 0.8100253155095055
Energy: 0.8373598111921644
Energy: 0.7506994180502929
Energy: 0.8914483792207181
Energy: 0.7601160625937518
Energy: 0.9248679983708906
Energy: 0.9234669702407776
Energy: 0.7602076817863958
Energy: 0.9094701723035162
Energy: 0.9110780251450075
Energy: 0.7924276201712452
Energy: 1.62045664664316
Energy: 0.8237088103526117
Energy: 0.7086352649159027
Energy: 0.9041272511030806
Energy: 0.7532862131469301
Energy: 0.8358111814326048
Energy: 0.7701907418311819
Energy: 0.7730146801149891
Energy: 0.8375133990962917
Energy: 0.7707578939024138
Energy: 0.8388854421996366
Energy: 0.8377572382997172
Energy: 0.7645436272326095
Energy: 0.763906386189427
Energy: 0.8378080946760039
Energy: 0.6750505195093488
Energy: 0.7627161457679164
Energy: 0.891279981352189
Energy: 0.7992033259501713
Energy: 0.8517558736006189
Energy: 0.8577831762466057
Energy: 0.7107326007586163
Energy: 0.8506109870079835
Energy: 0.7170546112025763
Energy: 0.7704839902191929
Energy: 0.7701952048160584
Energy: 0.7171739328435245
Energy: 0.7758799126958343
Energy: 0.7734350859877293
Energy: 0.8505376411043091
Energy: 0.77277120408368
Energy: 0.7725113316412756
Energy: 0.6821385534636322
Energy: 0.8574069045210315
Energy: 0.7131304900338916
Energy: 0.7168210706777666
Energy: 0.7738345259719167
Energy: 0.7737176535729577
Energy: 0.7168453864497445
Energy: 0.7733936276984043
Energy: 0.7164201809526984
Energy: 0.7182065698756247
Energy: 0.6795917691741576
Energy: 0.7211113917785396
Energy: 0.7183342332645629
Energy: 0.6621918025923301
Energy: 0.7188403449965481
Energy: 0.8393717801508404
Energy: 0.6830597505624563
Energy: 0.7203005198753983
Energy: 0.7222425251161619
Energy: 0.6823741146469232
Energy: 0.7204904310311682
Energy: 0.8385904188393031
Energy: 0.6820897845589798
Energy: 0.6819563467047094
Energy: 0.8382417808019073
Energy: 0.6852841869220446
Energy: 0.6819773717088418
Energy: 0.8364614000763593
Energy: 0.6838433956967389
Energy: 0.7535591069559557
Energy: 0.6651005818327964
Energy: 0.8267262660389848
Energy: 0.7515194535217482
Energy: 0.6647260476136252
Energy: 0.6840856948238654
Energy: 0.7415168829685418
Energy: 0.6645743756706386
Energy: 0.6839554032349985
Energy: 0.6641679147150931
Energy: 0.6650148661015839
Energy: 0.7928135315177387
Energy: 0.817593181108155
Energy: 0.6650667793815094
Energy: 0.6647832820690671
Energy: 0.6658792210432952
Energy: 0.8245565604684336
Energy: 0.6656677368770632
Energy: 0.8053090388141606
Energy: 0.6695063590607562
Energy: 0.6653974650156881
Energy: 0.7925944781698661
Energy: 0.8324262910181985
Energy: 0.664653946341492
Energy: 0.6644798273134307
Energy: 0.8338430071074832
Energy: 0.6714372353300371
Energy: 0.6647173059525329
Energy: 0.8340432435366816
Energy: 0.8009037774477172
Energy: 0.7998620713720556
Energy: 0.6836421171882857
Energy: 0.8013055461578558
Energy: 0.7981447819538815
Energy: 0.6849281634335408
Energy: 0.8012672724896258
Energy: 0.6848095878786776
Energy: 0.6825637573849854
Energy: 0.8006782693942404
Energy: 0.6821071219399806
Energy: 0.6819864186017258
Energy: 0.8300295777450409
Energy: 0.8309720639589265
Energy: 0.6819839952602975
Energy: 0.7198650902646642
Energy: 0.7223483559395988
Energy: 0.8400634825108944
Energy: 0.7184971412312001
Energy: 0.7186815779836492
Energy: 0.6677696115291598
Energy: 0.7185841885860731
Energy: 0.6944013105995718
Energy: 0.7680350082256009
Energy: 0.71698527587073
Energy: 0.716866783351356
Energy: 0.7702657705973981
Energy: 0.7175805729815351
Energy: 0.7172960511286974
Energy: 0.8611195488625784
Energy: 0.7398291537301446
Energy: 0.7386294043369217
Energy: 0.857539470882227
Energy: 0.7137339974848668
Energy: 0.7732104125539625
Energy: 0.7749498136270205
Energy: 0.7398703058800761
Energy: 0.7396159138612779
Energy: 0.774755474266418
Energy: 0.8665823611248608
Energy: 0.771890900378999
Energy: 0.7354112919442256
Energy: 0.894015748988746
Energy: 0.8881254550284048
Energy: 0.7354475139233061
Energy: 0.8906675168266279
Energy: 0.8552274552027795
Energy: 0.8584044906545861
Energy: 1.5742251065324246
Energy: 0.7970743245752684
Energy: 0.6911095465341227
Energy: 0.8386691758630749
Energy: 0.7315590433742631
Energy: 0.7702131123317154
Energy: 0.8517140191000713
Energy: 0.8536612004134301
Energy: 0.7701667783110924
Energy: 0.8383393490144274
Energy: 0.8399424265744635
Energy: 0.9044286263840068
Energy: 0.7873972430913594
Energy: 0.7859582881294165
Energy: 0.9051573951360319
Energy: 0.6851468331646082
Energy: 0.7856582112577418
Energy: 0.9113137483942363
Energy: 0.8235960077779604
Energy: 0.8976566717862003
Energy: 0.9061887777556528
Energy: 0.7284000791913974
Energy: 1.7702428669936605
Energy: 0.7836103237381987
Energy: 0.8371492767623464
Energy: 0.8553859398036207
Energy: 0.7836145767702801
Energy: 0.8382754579159495
Energy: 1.8588779013244252

minimum gb energy = 0.6621918025923301 eV
minimum distance =  0.000325995566093374 Angstroms
sigma value = 67


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

Energy: 1.121994596297897
Energy: 1.102988140996932
Energy: 1.050964218392938
Energy: 0.8515888722768833
Energy: 2.19018614668788
Energy: 1.0469833874151107
Energy: 1.0138861072002014
Energy: 1.0638700415516484
Energy: 1.0798988091170916
Energy: 1.0549664558155738
Energy: 1.0633309504856765
Energy: 1.0675787649157937
Energy: 1.1351933504771925
Energy: 0.9596682504517775
Energy: 1.0639048360047467
Energy: 1.0496937567286446
Energy: 0.8823566297597827
Energy: 1.063783922063583
Energy: 1.06139892266752
Energy: 1.0771233424339
Energy: 1.0753009071427704
Energy: 1.0630028098183801
Energy: 0.9796571124760274
Energy: 1.0761186431394718
Energy: 0.9671805248159137
Energy: 1.0630656362644628
Energy: 1.0783136006900875
Energy: 0.96755212667843
Energy: 1.0613927830692282
Energy: 1.080086294858663
Energy: 0.9451829662472007
Energy: 1.0512561491548327
Energy: 0.9643845687696191
Energy: 0.8841461369910079
Energy: 1.068725684688574
Energy: 0.9644112023572406
Energy: 0.9670960997120235
Energy: 0.9921148305701087
Energy: 0.9853727313319544
Energy: 0.9676370433261647
Energy: 0.989554905405051
Energy: 0.9858144742265579
Energy: 0.969644359855668
Energy: 0.8417442874430339
Energy: 0.8775939806405356
Energy: 0.9693814429470836
Energy: 0.8361403556568092
Energy: 0.9682256460383226
Energy: 1.0347746779013534
Energy: 0.9827184462608449
Energy: 0.9886001664512126
Energy: 0.9870457821207692
Energy: 0.8808680805321849
Energy: 0.9923001363818681
Energy: 0.9419895343996724
Energy: 0.8870206719926512
Energy: 0.8822777617380005
Energy: 0.9386220801168932
Energy: 0.8849571649270784
Energy: 0.8814973971090951
Energy: 0.9385198221402692
Energy: 0.8813941500267417
Energy: 0.8808234962059206
Energy: 0.8367513684635131
Energy: 1.021249521129444
Energy: 0.8809485617760981
Energy: 0.8359191277620704
Energy: 0.8806321899607372
Energy: 0.8691409464372761
Energy: 0.8358476575424354
Energy: 0.8810966791009863
Energy: 0.8353373403080095
Energy: 0.8362223513875872
Energy: 0.8437120505029944
Energy: 0.9871074811653326
Energy: 0.8358879958684833
Energy: 0.8381885811535106
Energy: 0.834791090290603
Energy: 1.010006234494014
Energy: 0.8602662117193417
Energy: 0.8725031859230412
Energy: 0.8359416278004945
Energy: 0.8331998049279429
Energy: 0.9858503222099183
Energy: 1.01115678113932
Energy: 0.840471223829432
Energy: 0.8362979584161673
Energy: 1.0130137301353488
Energy: 0.8370573387892043
Energy: 0.8357665704151674
Energy: 1.013408486833304
Energy: 0.892718325328446
Energy: 0.991461255438703
Energy: 0.8834444473310499
Energy: 0.8361153241600722
Energy: 0.8847267249558307
Energy: 0.8881990149313331
Energy: 0.8317907005032799
Energy: 0.8466787750685285
Energy: 0.8891426070990854
Energy: 0.8247596127386889
Energy: 0.881041390392775
Energy: 0.8823975140041872
Energy: 1.034863829283357
Energy: 1.0371179511576525
Energy: 0.8826246036100193
Energy: 1.0314700752736334
Energy: 0.8809869331876135
Energy: 1.02792183078034
Energy: 0.967952255614525
Energy: 0.9140508126099999
Energy: 0.8507220857686562
Energy: 1.0711708821531059
Energy: 0.9147875510763173
Energy: 0.8813491932855166
Energy: 0.9731873580823821
Energy: 0.9969996923850696
Energy: 0.8817777810704416
Energy: 0.9708400136768506
Energy: 0.9895592844635726
Energy: 1.0776924126659233
Energy: 1.0600516533898503
Energy: 1.0591176165494074
Energy: 1.0799627077399232
Energy: 0.9007012156941773
Energy: 1.0502234847638336
Energy: 1.1345985310182942
Energy: 0.9013445094547513
Energy: 1.0504119677979247
Energy: 1.0580968595151699
Energy: 0.8477301929437682
Energy: 1.0381632074734293
Energy: 1.013893261892307
Energy: 0.9738345744603597
Energy: 0.9903378969997078
Energy: 1.0157492043927248
Energy: 0.9727045608195163
Energy: 1.070726563436467

minimum gb energy = 0.8247596127386889 eV
minimum distance =  2.26200614311384 Angstroms
sigma value = 33


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

Energy: 1.3001958974583172
Energy: 1.3043999183940442
Energy: 1.2899905097547244
Energy: 0.985105268102385
Energy: 2.2422173979549425
Energy: 1.2076038354694558
Energy: 1.1756253112274382
Energy: 1.2262701337000812
Energy: 1.1811784323836931
Energy: 1.1345404367958483
Energy: 1.1820649604023947
Energy: 1.2374170761727314
Energy: 1.2718870728516452
Energy: 1.11975953687955
Energy: 1.2166724672072051
Energy: 1.1420619632402569
Energy: 1.119962208505188
Energy: 1.2296752953441499
Energy: 1.2044084376358952
Energy: 1.189914956328953
Energy: 1.2228513188362298
Energy: 1.1437230435949248
Energy: 1.1719829756143347
Energy: 1.2222990289779978
Energy: 1.117701874168872
Energy: 1.1292036823717646
Energy: 1.2363803533517033
Energy: 1.1186130936547904
Energy: 1.2326232184374695
Energy: 1.136473354849992
Energy: 1.2231308396508476
Energy: 1.2549500861444256
Energy: 1.1285835676259726
Energy: 1.0282822035654389
Energy: 1.0857586155920074
Energy: 1.0926707295214397
Energy: 1.117628829982305
Energy: 1.0846683515285875
Energy: 1.1379178818728835
Energy: 1.1188134012803947
Energy: 1.0848012366303028
Energy: 1.1356319024841286
Energy: 1.1176711791314096
Energy: 1.0998407840936713
Energy: 1.0772991687303697
Energy: 1.1186048929444572
Energy: 1.099753720277823
Energy: 1.1382129250165134
Energy: 1.1982394486771455
Energy: 1.167495458625303
Energy: 1.1759846915735632
Energy: 1.1483238884301354
Energy: 1.026937411466651
Energy: 1.1775619393287204
Energy: 1.2070659786241824
Energy: 1.027099781957235
Energy: 1.0265137078476643
Energy: 1.0349148249130107
Energy: 1.0294078872211379
Energy: 1.026311948368649
Energy: 1.206373410838594
Energy: 1.0530092372713098
Energy: 1.0646543068772247
Energy: 1.0723398285106807
Energy: 1.0272835788212629
Energy: 1.1096524235096408
Energy: 1.0267624344125277
Energy: 1.0940433520150046
Energy: 1.0275502837821697
Energy: 1.0269931305396218
Energy: 1.0392006373551406
Energy: 1.026720987025577
Energy: 1.0270531977159383
Energy: 1.081738620491457
Energy: 1.028115418310751
Energy: 1.026846363739895
Energy: 1.1149478500651124
Energy: 1.0269633563561746
Energy: 1.0262494802933366
Energy: 1.0954685556282484
Energy: 1.1445937935999668
Energy: 1.0028947237033439
Energy: 1.167826773892179
Energy: 1.0259137909761558
Energy: 0.9657823091301366
Energy: 1.129113722521011
Energy: 1.1243153841672826
Energy: 0.9684687014637328
Energy: 1.1260444629013058
Energy: 1.1242313915830815
Energy: 1.185447812200417
Energy: 1.20129842491412
Energy: 1.205522088316824
Energy: 1.1486801853365487
Energy: 1.0243342995108025
Energy: 1.1413571689246826
Energy: 1.2399912359857836
Energy: 1.0628457290292892
Energy: 1.064783987468387
Energy: 1.239067506477346
Energy: 1.064669875978886
Energy: 1.2021151226195743
Energy: 1.238840780864623
Energy: 1.1240497324063992
Energy: 1.1232143827826204
Energy: 1.2387478513527235
Energy: 1.2353822080235877
Energy: 1.2221442634637227
Energy: 1.1994474146272684
Energy: 2.034248565823877
Energy: 1.0285670655606622
Energy: 0.973462420492986
Energy: 1.288354534243512
Energy: 1.1058212517083292
Energy: 1.109465519212208
Energy: 1.23717698374156
Energy: 1.2352640742676348
Energy: 1.1125886275135122
Energy: 1.2397473525071339
Energy: 1.2832803135306492
Energy: 1.2416818671040333
Energy: 1.1905837233347392
Energy: 1.2294651144965723
Energy: 1.239660598333732
Energy: 1.1385441940955403
Energy: 1.2223955903245975
Energy: 1.1837280507149033
Energy: 1.1201019704462878
Energy: 1.2168029846582038
Energy: 1.1325717673130984
Energy: 1.124117184508324
Energy: 1.2296031029659524
Energy: 1.1195993981565904
Energy: 1.2351056654502728
Energy: 1.2350143580060187
Energy: 1.1193833401641358
Energy: 1.2382574167461782
Energy: 1.2366954336836349
Energy: 1.1012144315185952
Energy: 1.29549134769624
Energy: 1.0923521219406833
Energy: 1.0238366788572149
Energy: 1.2943388167713705
Energy: 1.0960103352231596
Energy: 1.1202486499852946
Energy: 1.2238014619433997
Energy: 1.1151300950940968
Energy: 1.1205610068705143
Energy: 1.223249892671442
Energy: 1.1386172816310873
Energy: 1.1300187751334747
Energy: 1.0937650891432298
Energy: 1.0786836357853289
Energy: 1.1193267939050005
Energy: 1.0868545637783233
Energy: 1.1417645574466015
Energy: 1.2020205840628932
Energy: 1.0645843531348818
Energy: 1.1630360441988237
Energy: 1.1791345089996217
Energy: 1.081702881882347
Energy: 1.1878820797333047
Energy: 1.2034540834371596
Energy: 1.0268254167697006
Energy: 1.0263897414859393
Energy: 1.2076745457173945
Energy: 1.0302679605511553
Energy: 1.0264321700449999
Energy: 1.204297465001956
Energy: 1.0289089013411117
Energy: 1.1106041439809222
Energy: 1.0604584158995853
Energy: 1.0269956079703992
Energy: 1.0648960308538769
Energy: 1.0238991795486663
Energy: 1.100453012352677
Energy: 1.0295510234129766
Energy: 1.0250177241722302
Energy: 1.0346626904532321
Energy: 1.0241157157221497
Energy: 1.0249398876695017
Energy: 1.1052206758361824
Energy: 1.025201762242471
Energy: 1.025283726092421
Energy: 1.0914704841539205
Energy: 1.0242644630199635
Energy: 1.0248070013722896
Energy: 1.1338537360194936
Energy: 1.1291699813047655
Energy: 1.0023860110385692
Energy: 1.0913993361683922
Energy: 1.0257018535869897
Energy: 1.018743216171165
Energy: 1.1152549727109182
Energy: 1.1241574287578142
Energy: 1.024416414806198
Energy: 1.1180837022947467
Energy: 1.0296638572931673
Energy: 1.1860918242463228
Energy: 1.028440122127372
Energy: 1.1136627539251656
Energy: 1.1906226163344895
Energy: 1.024559892100063
Energy: 1.1635060439677944
Energy: 1.2828626167821982
Energy: 1.062948045464407
Energy: 1.0977720693481303
Energy: 1.1857099383171397
Energy: 1.0045123303985624
Energy: 1.1948450760535492
Energy: 1.2948430216146583
Energy: 1.1147473648653632
Energy: 1.1729214253107683
Energy: 1.134935741084525
Energy: 1.0651119293134192
Energy: 1.2272188051653252
Energy: 1.2387707101279115
Energy: 2.4043135113675875
Energy: 1.2194953534815778
Energy: 0.9795787812198048
Energy: 2.0934450713697306
Energy: 1.1711366116992084

minimum gb energy = 0.9657823091301366 eV
minimum distance =  2.25457110710079 Angstroms
sigma value = 41


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

Energy: 1.3990413621402942
Energy: 1.1101283233436918
Energy: 1.1107229251027448
Energy: 1.1142028904361503
Energy: 2.23349126625675
Energy: 1.1075367899303838
Energy: 1.1979484543209205
Energy: 1.2870380522977305
Energy: 1.2334528336215436
Energy: 1.264971876645039
Energy: 1.1744501867943555
Energy: 1.2278719051874674
Energy: 1.3684501827947475
Energy: 1.1408670008445487
Energy: 1.1073999027989394
Energy: 1.1470929581411644
Energy: 1.1455371420098746
Energy: 1.1413944084444532
Energy: 1.1689557239445862
Energy: 1.1424412448739099
Energy: 1.1081769285269931
Energy: 1.1490788928207591
Energy: 1.1468675249091174
Energy: 1.1468044716699846
Energy: 1.1453112834698014
Energy: 1.1468533665607665
Energy: 1.1111530721414307
Energy: 1.1480846682289867
Energy: 1.1712577030212736
Energy: 1.1116022351782362
Energy: 1.2119484572533383
Energy: 1.1502732163879208
Energy: 1.111812819528273
Energy: 1.1138713236655897
Energy: 1.1638232043105035
Energy: 1.1110372261968602
Energy: 1.1454736087752375
Energy: 1.2312373299601027
Energy: 1.1144403089865298
Energy: 1.1458191838104372
Energy: 1.2294550274732845
Energy: 1.1144765539820878
Energy: 1.1483776348642658
Energy: 1.1115945049552578
Energy: 1.1125572436063818
Energy: 1.1498293183572934
Energy: 1.174382594828726
Energy: 1.14569258463475
Energy: 1.2844947996959482
Energy: 1.1141349181159417
Energy: 1.1103375620373885
Energy: 1.090300996899014
Energy: 1.1628572126879007
Energy: 1.1096385494782115
Energy: 1.2128217398993444
Energy: 1.1540491079222914
Energy: 1.1168481241376687
Energy: 1.117155036960136
Energy: 1.1466475086230257
Energy: 1.1105228284663984
Energy: 1.3003597227368278
Energy: 1.1111043956145534
Energy: 1.1333569092323919
Energy: 1.2312056815632288
Energy: 1.0865447089169615
Energy: 1.2263173149859083
Energy: 1.3589689779657017
Energy: 1.0863351220152206
Energy: 1.0863028277261582
Energy: 1.3580847159046285
Energy: 1.0863289997581058
Energy: 1.165535420612761
Energy: 1.3700365639159806
Energy: 1.1101830225925686
Energy: 1.1334603222713027
Energy: 1.1726573178371966
Energy: 1.2690739852171438
Energy: 1.2298884824292466
Energy: 1.0882956595100894
Energy: 2.3890042218805494
Energy: 1.0870395234559078
Energy: 1.092276152022458
Energy: 2.034640957936651
Energy: 1.0872082158758296

minimum gb energy = 1.0863028277261582 eV
minimum distance =  2.3068326563176 Angstroms
sigma value = 11


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

Energy: 1.9309580514553921
Energy: 1.3409093322140773
Energy: 1.3711178563525643
Energy: 1.360973216678478
Energy: 2.28906920405883
Energy: 1.3612139821943692
Energy: 1.4327499697689077
Energy: 1.3115624281735156
Energy: 1.3325039941716286
Energy: 1.3634853124764532
Energy: 1.3106904453738564
Energy: 1.2887804281323387
Energy: 1.4917284887118534
Energy: 1.318213202266182
Energy: 1.3230926562611747
Energy: 1.4260892751429444
Energy: 1.3175130573231457
Energy: 1.3295471534080006
Energy: 1.3968322222177783
Energy: 1.2832539651280215
Energy: 1.2887204698117003
Energy: 1.3445503043018658
Energy: 1.283029433907087
Energy: 1.324472531240771
Energy: 1.3615762537456575
Energy: 1.3121246267894429
Energy: 1.3065545955160496
Energy: 1.3415562906880292
Energy: 1.3102634695584408
Energy: 1.3518286026617123
Energy: 1.4064616271549244
Energy: 1.318910372561064
Energy: 1.3285016186249894
Energy: 1.3463069292679972
Energy: 1.3077753712833382
Energy: 1.3296237652153684
Energy: 1.3140902567121957
Energy: 1.3287379082930815
Energy: 1.330206584802103
Energy: 1.3144218099227911
Energy: 1.3298596080202993
Energy: 1.322431839710711
Energy: 1.3141119472439866
Energy: 1.3512465821026842
Energy: 1.3432959091503185
Energy: 1.3090125768178784
Energy: 1.3650723349417775
Energy: 1.3336588798894675
Energy: 1.3002357550840937
Energy: 1.3431444042153042
Energy: 1.328311837904381
Energy: 1.2748559397695085
Energy: 1.3431729891080728
Energy: 1.2884434638491984
Energy: 1.3256217776753325
Energy: 1.3434170687698386
Energy: 1.326661522568865
Energy: 1.2761415182392883
Energy: 1.3427987094927094
Energy: 1.2887009964277492
Energy: 1.3140521716017626
Energy: 1.3210176099966608
Energy: 1.3441921144987856
Energy: 1.3084614613830905
Energy: 1.332811423547616
Energy: 1.334728843237813
Energy: 1.3055740422348598
Energy: 1.2988869389682984
Energy: 1.3388864634058089
Energy: 1.307307946829248
Energy: 1.3386160755976795
Energy: 1.3461593479390712
Energy: 1.3022738834262044
Energy: 1.3380871544991062
Energy: 1.3373344077162608
Energy: 1.3028815434539265
Energy: 1.3533460215326056
Energy: 1.3311883241970186
Energy: 1.3555495942401867
Energy: 1.3402740810753169
Energy: 1.342189003613246
Energy: 1.3243935395767934
Energy: 1.372290895448779
Energy: 1.342134840841343
Energy: 1.2882381320055263
Energy: 1.3374718919889457
Energy: 1.3356272172980441
Energy: 1.3058478302005503
Energy: 1.3368767631791825
Energy: 1.2890584917890808
Energy: 1.2898247190293552
Energy: 1.3376414449462009
Energy: 1.3346999691949788
Energy: 1.291212480599189
Energy: 1.3389629192335235
Energy: 1.2899737626666894
Energy: 1.2868396423837398
Energy: 1.3360011139965167
Energy: 1.3326838242211336
Energy: 1.3079353748742275
Energy: 1.3283084208752882
Energy: 1.308423151842812
Energy: 1.3752230599851036
Energy: 1.3519350262381866
Energy: 1.3547231932470836
Energy: 1.3219801479366067
Energy: 1.3570241526788436
Energy: 1.3213124036775026
Energy: 1.333222824596582
Energy: 1.3415475352609791
Energy: 1.3381717314771198
Energy: 1.3366625391416294
Energy: 1.339661499907334
Energy: 1.3360997668482868
Energy: 1.3629403098381523
Energy: 1.2842908783618707
Energy: 1.2862455802721504
Energy: 1.3256338666817316
Energy: 1.2843475920406333
Energy: 1.3330896675913513
Energy: 1.3871622675904876
Energy: 1.2841790257161378
Energy: 1.2831087720168461
Energy: 1.326825536410105
Energy: 1.2852030498632594
Energy: 1.3500360997826695
Energy: 1.3097006226939947
Energy: 1.3421505589688925
Energy: 1.3412683259315472
Energy: 1.3375543862233192
Energy: 1.3267662493819496
Energy: 1.3431183376076574
Energy: 1.3047532268006228
Energy: 1.3311137467712066
Energy: 1.2874751610693276
Energy: 1.315399772665887
Energy: 1.3264343302380706
Energy: 1.2872912041434814
Energy: 1.387490163284408
Energy: 1.3439238180463258
Energy: 1.3287627941847961
Energy: 1.3409154711244706
Energy: 1.3370648954579794
Energy: 1.336709314970403
Energy: 1.3890541996738708
Energy: 1.3303388297027747
Energy: 1.330909854701822
Energy: 1.390037696315471
Energy: 1.3265315170805951
Energy: 1.3316126685716492
Energy: 1.4097962130880284
Energy: 1.3177942188530933
Energy: 1.3053327712042608
Energy: 1.3388693130991216
Energy: 1.3176428507049287
Energy: 1.3274397275033
Energy: 1.3961932475977614
Energy: 1.288769398442264
Energy: 1.2896749677876744
Energy: 1.3396946888978711
Energy: 1.290589008590489
Energy: 1.2892290344013992
Energy: 1.3850551151614283
Energy: 1.3015303847252306
Energy: 1.289903130759525
Energy: 1.3369027459581508
Energy: 1.3052110618419133
Energy: 1.3348398628989244
Energy: 1.492045126402557
Energy: 1.3316472135562332
Energy: 1.3339919360922443
Energy: 1.4918898209541627
Energy: 1.3136799368306786
Energy: 1.332875037476187
Energy: 1.490993163125492
Energy: 1.3186563785884957
Energy: 1.2892451647449568
Energy: 1.3383456884813851
Energy: 1.3044698928103522
Energy: 1.3341723171918876
Energy: 1.3783705836365774
Energy: 2.158039889654828
Energy: 1.3340227919842642
Energy: 1.2816975117220946
Energy: 2.659470302289553
Energy: 1.2762833575495083

minimum gb energy = 1.2748559397695085 eV
minimum distance =  2.28230425247204 Angstroms
sigma value = 57


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

Energy: 1.7219489197464433
Energy: 1.4658125094465833
Energy: 1.4662972441210336
Energy: 1.4652792174511364
Energy: 1.989815301095672
Energy: 1.4703152040184464
Energy: 1.3049905316423023
Energy: 1.3551050644759204
Energy: 1.3570143064916096
Energy: 1.3569280053036956
Energy: 1.354073302199563
Energy: 1.359736119875988
Energy: 1.407473778770025
Energy: 1.3834173260700366
Energy: 1.4009775233969461
Energy: 1.3981553530034263
Energy: 1.3858103757024685
Energy: 1.3581346876841636
Energy: 1.3358594683917726
Energy: 1.3603066597757518
Energy: 1.3587571458700018
Energy: 1.3501093528978678
Energy: 1.3309169411262154
Energy: 1.3566069948288229
Energy: 1.347972924202635
Energy: 1.3602986066901592
Energy: 1.3587905015757458
Energy: 1.3554824639700005
Energy: 1.3546064606541277
Energy: 1.3584450373489743
Energy: 1.4010023948828374
Energy: 1.4106493721054136
Energy: 1.4118453126049413
Energy: 1.357888178114832
Energy: 1.4182843700622294
Energy: 1.4139159648137343
Energy: 1.4099491978223375
Energy: 1.358012913527805
Energy: 1.3604023469343245
Energy: 1.410883128591595
Energy: 1.3493238298194676
Energy: 1.4240224064855709
Energy: 1.405697389754887
Energy: 1.3582484697476285
Energy: 1.3595923886304055
Energy: 1.3502880121158587
Energy: 1.353681496044581
Energy: 1.3575319699834794
Energy: 1.3053404976317728
Energy: 1.944436869422785
Energy: 1.4612093679190934
Energy: 1.3125828205731738
Energy: 1.3534517853578547
Energy: 1.3313211013224113
Energy: 1.3057866923459978
Energy: 1.359054817803845
Energy: 1.3352556341679422
Energy: 1.3103428358441773
Energy: 1.4041927275901713
Energy: 1.3316583780100435
Energy: 1.4046769160862618
Energy: 1.3570970942062137
Energy: 1.3617620669512414
Energy: 1.3498189598654529
Energy: 1.3551296366406673
Energy: 1.357615426360339
Energy: 1.3993790266447224
Energy: 1.4086199537008333
Energy: 1.411130069983765
Energy: 1.3965352931008825
Energy: 1.4098530314966429
Energy: 1.41127622710424
Energy: 1.3516326972002564
Energy: 1.357501300298338
Energy: 1.3574530411102816
Energy: 1.3567160195519055
Energy: 1.353274212012769
Energy: 1.3573575989628188
Energy: 1.5144541168365768
Energy: 1.4112368786101945
Energy: 1.4116926963405005
Energy: 1.3539252899860315
Energy: 1.4149380085670087
Energy: 1.3555514416235337
Energy: 1.3521866066542287
Energy: 1.3047981821661805
Energy: 1.358192403585138
Energy: 1.3854076967363014
Energy: 1.3283367681517106
Energy: 1.3587740339806238
Energy: 1.4071793938790071
Energy: 1.3296698269745373
Energy: 1.3063496978960654
Energy: 1.3987592657788375
Energy: 1.3537046638774508
Energy: 1.3586608003734804
Energy: 1.3050327204679213
Energy: 1.354089633308775
Energy: 1.3553278258688601
Energy: 1.3270566234721872
Energy: 1.3543949514342233
Energy: 1.3573875176196026

minimum gb energy = 1.3047981821661805 eV
minimum distance =  2.28388240424615 Angstroms
sigma value = 9


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

Energy: 2.0801877679051946
Energy: 1.5508608774175758
Energy: 1.4378081635662978
Energy: 1.4305839845323116
Energy: 2.4622346734399256
Energy: 1.4355717939081278
Energy: 1.5953382061057715
Energy: 1.403080040236907
Energy: 1.3998173273893444
Energy: 1.3921345367643063
Energy: 1.3924454351017561
Energy: 1.3991552069952984
Energy: 1.514582206624836
Energy: 1.4321481707814663
Energy: 1.400566721771146
Energy: 1.4050397474354517
Energy: 1.435417380173782
Energy: 1.4008270438704002
Energy: 1.4533183597856376
Energy: 1.403783303529688
Energy: 1.4044032973065723
Energy: 1.4169021379587048
Energy: 1.4035372449997965
Energy: 1.4050785585075307
Energy: 1.4204727419783842
Energy: 1.3889303197694614
Energy: 1.3853418256626944
Energy: 1.3840426561308163
Energy: 1.3955942432230584
Energy: 1.384696118413892
Energy: 1.4300193526036182
Energy: 1.4032629192745414
Energy: 1.4035111072752953
Energy: 1.396102608588331
Energy: 1.4004857201560612
Energy: 1.4033548973588235
Energy: 1.4314723317199562
Energy: 1.4593557059966875
Energy: 1.4013250785754434
Energy: 1.3942099014156633
Energy: 1.4618295195832056
Energy: 1.4018026789808262
Energy: 1.4739516536086164
Energy: 1.4081283106271225
Energy: 1.396089652199219
Energy: 1.3878542782448364
Energy: 1.4213547076057262
Energy: 1.3949972594614928
Energy: 1.5806870907808965
Energy: 1.389311012705472
Energy: 1.38658657947299
Energy: 1.4007938079563702
Energy: 1.3955575010614043
Energy: 1.3985035708316809
Energy: 1.5810626320021581
Energy: 1.3908470757436098
Energy: 1.3882862421843678
Energy: 1.402512366645041
Energy: 1.3894296985935293
Energy: 1.387559304275052
Energy: 1.4739421021413144
Energy: 1.3846007363430353
Energy: 1.3835061706796334
Energy: 1.3904350275719544
Energy: 1.3843592374458829
Energy: 1.3837691752866965
Energy: 1.472463065298203
Energy: 1.3998995280684778
Energy: 1.3980876108825684
Energy: 1.3898622762439923
Energy: 1.4032001816710247
Energy: 1.3850168252206665
Energy: 1.5731461487414498
Energy: 1.3997128562761336
Energy: 1.3996921670588152
Energy: 1.3628882120114323
Energy: 1.397868599495671
Energy: 1.3626744553463208
Energy: 1.6195250329827962
Energy: 1.4095260450418636
Energy: 1.410014220145277
Energy: 1.4012455568346602
Energy: 1.4074333187236117
Energy: 1.4092903358009288
Energy: 1.471502319516543
Energy: 1.3819751796393076
Energy: 1.381426669806309
Energy: 1.3911751513082293
Energy: 1.380995565665466
Energy: 1.3886439190201685
Energy: 1.4532631261875542
Energy: 1.3965200794153454
Energy: 1.3820341373309852
Energy: 1.4321657471797884
Energy: 1.4359109265855148
Energy: 1.4669278005700987
Energy: 1.5018094788588847
Energy: 1.414302481799843
Energy: 1.4114884236711893
Energy: 1.4060878941063952
Energy: 1.4149635009415304
Energy: 1.4111142254058202
Energy: 1.5009969300362094
Energy: 1.4438586372606277
Energy: 1.4399352479003047
Energy: 1.4375658357417445
Energy: 1.4498847289520422
Energy: 1.4385223630362582
Energy: 1.5121693206744407
Energy: 1.4047072830643135
Energy: 1.4028413705038625
Energy: 1.3848104958846166
Energy: 1.4066537094828881
Energy: 1.4023828741240378
Energy: 1.5157259146039732
Energy: 1.406297887664416
Energy: 1.4044062154735133
Energy: 1.4056291092415067
Energy: 1.3922690436055696
Energy: 1.403816214777551
Energy: 1.5560444135638
Energy: 1.3859240952267171
Energy: 1.3864217835890191
Energy: 1.4158803375719367
Energy: 1.3945558392717363
Energy: 1.3936431163294283

minimum gb energy = 1.3626744553463208 eV
minimum distance =  2.21400763360302 Angstroms
sigma value = 27


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

Energy: 1.4868559134111499
Energy: 1.3537466250773642
Energy: 1.3241130115117223
Energy: 1.3189462933721259
Energy: 2.082189335547403
Energy: 1.3214373564926922
Energy: 1.3866750809366544
Energy: 1.3598037020326552
Energy: 1.3598499523723244
Energy: 1.3593156086949463
Energy: 1.3638058545350387
Energy: 1.3596155913819208
Energy: 1.488347289824087
Energy: 1.3668831089091569
Energy: 1.3328106158553068
Energy: 1.3568500505785162
Energy: 1.3195482536320975
Energy: 1.354956310883629
Energy: 1.4714870466949395
Energy: 1.3420769070906093
Energy: 1.3405011566475102
Energy: 1.3404088542282797
Energy: 1.3367848451345745
Energy: 1.3394672910621392
Energy: 1.319209727864732
Energy: 1.331766564124394
Energy: 1.3326647731569519
Energy: 1.3189955407369798
Energy: 1.332977138766392
Energy: 1.3333278425494455
Energy: 1.4054622407349775
Energy: 1.3320732594130646
Energy: 1.3321390689371417
Energy: 1.3322837269424292
Energy: 1.334000094869842
Energy: 1.332871896631646
Energy: 1.4727413279480353
Energy: 1.2704390732369941
Energy: 1.2715550261382638
Energy: 1.773106052473141
Energy: 1.2683994074723097
Energy: 1.272548390178448
Energy: 1.4611708757945843
Energy: 1.2672301363235283
Energy: 1.333849074278137
Energy: 1.3491385533211273
Energy: 1.2668253329156456
Energy: 1.3347886180971298
Energy: 1.6095173134446237
Energy: 1.3342061197202146
Energy: 1.3380816084124942
Energy: 1.333004576774471
Energy: 1.3342103864229689
Energy: 1.3341499156050565
Energy: 1.6107191192022032
Energy: 1.3623152350439593
Energy: 1.363294895031798
Energy: 1.3590045228997358
Energy: 1.3589518354765866
Energy: 1.359700843188222
Energy: 1.4650395769646132
Energy: 1.3764126536948376
Energy: 1.3481903714143644
Energy: 1.3726047605396503
Energy: 1.3370825778636772
Energy: 1.333214661290308
Energy: 1.4997026333355896
Energy: 1.3431301752645184
Energy: 1.341818901252367
Energy: 1.3447031650179384
Energy: 1.3421929435464448
Energy: 1.342583987933646
Energy: 1.2647526038748267
Energy: 1.7752391989068526
Energy: 1.2677435453775836
Energy: 1.2683597933476303
Energy: 1.7418705912194767
Energy: 1.2675780337145677
Energy: 1.2657256263787509
Energy: 1.341583092184535
Energy: 1.3425772101824025
Energy: 1.266593957849654
Energy: 1.3446509118069427
Energy: 1.2674261766754926
Energy: 1.5002488381416046
Energy: 1.34024291775924
Energy: 1.3425273708896677
Energy: 1.3437069002529132
Energy: 1.339909782973692
Energy: 1.3468426353433665
Energy: 1.4750928235166363
Energy: 1.357454322598812
Energy: 1.3588811232666278
Energy: 1.377625633318426
Energy: 1.3588358424707914
Energy: 1.360429230981912
Energy: 1.3195568098381518
Energy: 1.3659680143267185
Energy: 1.3621923298243699
Energy: 1.3380600828032794
Energy: 1.3611868847420372
Energy: 1.3607206878873814
Energy: 1.3947690751194224
Energy: 1.3334616769769096
Energy: 1.338464949582124
Energy: 1.3349405997387132
Energy: 1.3333465088052179
Energy: 1.3343430501682845
Energy: 1.4621391969237862
Energy: 1.2665577838307553
Energy: 1.266871983261844
Energy: 1.3597974529353933
Energy: 1.2671902375622492
Energy: 1.2678206085533072
Energy: 1.4727132118594872
Energy: 1.2665563846573322
Energy: 1.2668755229734459
Energy: 1.3300234225001635
Energy: 1.2672550904054276
Energy: 1.2679313016648348
Energy: 1.5974863653837843
Energy: 1.3339670787363611
Energy: 1.336087723592941
Energy: 1.3338858301869043
Energy: 1.333967788743415
Energy: 1.3362884180286487
Energy: 1.323020332709305
Energy: 1.3746652871722538
Energy: 1.3784142768171161
Energy: 1.3201653933493385
Energy: 1.3732920461720584
Energy: 1.340827043978789
Energy: 1.4886211518460204
Energy: 1.3780352944944467
Energy: 1.3788407419478008
Energy: 1.3870860338566524
Energy: 1.3774927942339488
Energy: 1.3873608548667185
Energy: 1.5589315335853584
Energy: 1.3586926205618548
Energy: 1.355432170347093
Energy: 1.3623660312697252
Energy: 1.3605036466545608
Energy: 1.3546097919774296
Energy: 1.3815607848875877
Energy: 1.412723138540379
Energy: 1.4114197993408046
Energy: 1.3209680619776931
Energy: 1.4186595268192266
Energy: 1.321118311845619

minimum gb energy = 1.2647526038748267 eV
minimum distance =  2.21657589164565 Angstroms
sigma value = 19


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

Energy: 2.009908876997457
Energy: 1.275406757563905
Energy: 1.279007038822851
Energy: 1.2999878962959555
Energy: 2.5145525199610512
Energy: 1.2788020175742763
Energy: 1.5574583694139383
Energy: 1.2967489257262512
Energy: 1.297369860888517
Energy: 1.2940493565156175
Energy: 1.3490514809819394
Energy: 1.2969731019767325
Energy: 1.463287466819507
Energy: 1.297670958642711
Energy: 1.3004716966190306
Energy: 1.295399784999984
Energy: 1.2961528993228388
Energy: 1.297431439429749
Energy: 1.4174503364608215
Energy: 1.2964539042157464
Energy: 1.2978557759393785
Energy: 1.3337097869210086
Energy: 1.295479320340426
Energy: 1.2990835780320296
Energy: 1.3051359229345405
Energy: 1.2971618209828406
Energy: 1.2960589362299182
Energy: 1.3030583453236182
Energy: 1.2959026120157076
Energy: 1.298343004904384
Energy: 1.3420062509116784
Energy: 1.2992987461459895
Energy: 1.2995688693330425
Energy: 1.3146437851123618
Energy: 1.3014608167327488
Energy: 1.2976646249325705
Energy: 1.3134829819713554
Energy: 1.2837757480544514
Energy: 1.3214914987786586
Energy: 1.2956906950298772
Energy: 1.283467808074925
Energy: 1.3198761450665744
Energy: 1.3396828468122377
Energy: 1.2890697581726118
Energy: 1.2965042232785133
Energy: 1.368419821215712
Energy: 1.287936078901911
Energy: 1.2974204898074349
Energy: 1.2888251674307976
Energy: 1.2979027139225428
Energy: 1.2972149185534967
Energy: 1.2943337747445374
Energy: 1.2990880435495167
Energy: 1.296381055801607
Energy: 1.2902426546062273
Energy: 1.2943943512974079
Energy: 1.2974963124015377
Energy: 1.2951661335590536
Energy: 1.2971863723439134
Energy: 1.2992293046321017
Energy: 1.4817872581434361
Energy: 1.2772136597053303
Energy: 1.2802364305723006
Energy: 1.2872964467095167
Energy: 1.2752562199327062
Energy: 1.275894612546233
Energy: 1.4916238515192428
Energy: 1.2753111388342298
Energy: 1.2765075195025957
Energy: 1.2768103234990245
Energy: 1.2738050928023237
Energy: 1.2774364166509233
Energy: 1.3642316568269877
Energy: 1.2782272430618713
Energy: 1.3016209242114034
Energy: 1.2639771702757547
Energy: 1.3204776272733798
Energy: 1.2722840151826367
Energy: 1.446632736019571
Energy: 1.2947799503893391
Energy: 1.294383725528539
Energy: 1.267480870733703
Energy: 1.3452560730735
Energy: 1.2971661332357327
Energy: 1.461050530165255
Energy: 1.2742616050098359
Energy: 1.2751131505435214
Energy: 1.2766817410390678
Energy: 1.273465336965566
Energy: 1.2759128360604741
Energy: 1.4740891041570063
Energy: 1.2763836778009559
Energy: 1.2771408921172178
Energy: 1.2768585107621475
Energy: 1.2873326849443958
Energy: 1.2776529959440543
Energy: 1.328479647231263
Energy: 1.2955370363014096
Energy: 1.3116042615633656
Energy: 1.2691909591296315
Energy: 1.3609579260648936
Energy: 1.3109335654168675
Energy: 1.4064536611912244
Energy: 1.2756132803011895
Energy: 1.2762574422636899
Energy: 1.2657361257570023
Energy: 1.2753322781736796
Energy: 1.2767145299828684
Energy: 1.4224975923268115
Energy: 1.2679066779417514
Energy: 1.2688841875213892
Energy: 1.3595557089243016
Energy: 1.267001017351139
Energy: 1.2760671684093479
Energy: 1.3807498183218065
Energy: 1.2677879449583622
Energy: 1.2686480705072725
Energy: 1.2804963732549335
Energy: 1.267045664899673
Energy: 1.2758069770888516
Energy: 1.2820140767274795
Energy: 1.2757485651136555
Energy: 1.2760197753850704
Energy: 1.275077943400452
Energy: 1.275948703469993
Energy: 1.2761991392987122
Energy: 1.2668724141931265
Energy: 1.2779206650982835
Energy: 1.277467634885617
Energy: 1.2735909364591838
Energy: 1.2776003687862805
Energy: 1.276456095126628
Energy: 1.4358994403913714
Energy: 1.2638192308931735
Energy: 1.262176146367993
Energy: 1.3597570044797065
Energy: 1.2620567698304834
Energy: 1.2759096394614857
Energy: 1.422993483208568
Energy: 1.2613553979671805
Energy: 1.278529919623961
Energy: 1.3803777481197381
Energy: 1.260388130984094
Energy: 1.2762391789333685
Energy: 1.3696086110281986
Energy: 1.2762776389317294
Energy: 1.2761672194015439
Energy: 1.2728322447080205
Energy: 1.2761068981411283
Energy: 1.275661080959359
Energy: 1.3180561978507124
Energy: 1.2967589274456839
Energy: 1.29742738855221
Energy: 1.2868993913769333
Energy: 1.2967354549779875
Energy: 1.2766358157165487
Energy: 1.4633272368430221
Energy: 1.2969513390180578
Energy: 1.2977972541018963
Energy: 1.2968771089942424
Energy: 1.2954758491619074
Energy: 1.2972323464039082
Energy: 1.4631535268677176
Energy: 1.2957908760221921
Energy: 1.2965503922923112
Energy: 1.2989255677294285
Energy: 1.2948705328258234
Energy: 1.2973098068277538
Energy: 1.3981393637022732
Energy: 1.2945410007863067
Energy: 2.5275871936824643
Energy: 1.2572007520160906
Energy: 1.3968921434569626
Energy: 1.2702594938795893

minimum gb energy = 1.2572007520160906 eV
minimum distance =  2.20944783188176 Angstroms
sigma value = 101


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

Energy: 1.827331060745249
Energy: 1.2377217438105175
Energy: 1.2373752494047687
Energy: 1.2771533106605701
Energy: 2.700123193137325
Energy: 1.1962970837279479
Energy: 1.4448820684535448
Energy: 1.2575363313569685
Energy: 1.2306833461982214
Energy: 1.2294040156734483
Energy: 1.2417590204379576
Energy: 1.2329946914824348
Energy: 1.4574483187786622
Energy: 1.2334547655939787
Energy: 1.2381112977308717
Energy: 1.2790539714962257
Energy: 1.2295476871528335
Energy: 1.228546212208805
Energy: 1.3116270690673943
Energy: 1.2306186894581994
Energy: 1.2321837172404895
Energy: 1.2307737128872458
Energy: 1.2292826260176035
Energy: 1.232805755195248
Energy: 1.2377782413872775
Energy: 1.2746182593356394
Energy: 1.2312808604884706
Energy: 1.2369214384906508
Energy: 1.2739928619110084
Energy: 1.2457807131375924
Energy: 1.2640633226600297
Energy: 1.231372397389655
Energy: 1.2584408249779266
Energy: 1.239879423979716
Energy: 1.236207350608461
Energy: 1.2318095893742618
Energy: 1.2647702661437277
Energy: 1.2232308497150168
Energy: 1.2169234496402854
Energy: 1.288017310790844
Energy: 1.2189712332024414
Energy: 1.2167854570794603
Energy: 1.2206100078504192
Energy: 1.2331475574024995
Energy: 1.2339441451000503
Energy: 1.2315413916051532
Energy: 1.2170841660671328
Energy: 1.2325787304476514
Energy: 1.2209074331412701
Energy: 1.2302592443606613
Energy: 1.2298734814474437
Energy: 1.230772269890637
Energy: 1.2304683446958415
Energy: 1.2429739837391645
Energy: 1.219543511019677
Energy: 1.2321582861282487
Energy: 1.2321753665008792
Energy: 1.2284576069644684
Energy: 1.229956393150334
Energy: 1.2314155144829921
Energy: 1.4260879719353583
Energy: 1.2081544847480574
Energy: 1.2130725545921237
Energy: 1.274060397712952
Energy: 1.2056123485906238
Energy: 1.2029181712627737
Energy: 1.4538146242238466
Energy: 1.2275477276330435
Energy: 1.228594533108046
Energy: 1.2291685865783404
Energy: 1.2236485454613977
Energy: 1.229331908831295
Energy: 1.2688801710408864
Energy: 1.2590725841348653
Energy: 1.2573850602927017
Energy: 1.2159224816251522
Energy: 1.2804105645855854
Energy: 1.2573117143797121
Energy: 1.3066177160805497
Energy: 1.2300814185580595
Energy: 1.2277067576381258
Energy: 1.2160823312723716
Energy: 1.2591487136204746
Energy: 1.2274639078587808
Energy: 1.4584320470561214
Energy: 1.2302914877080222
Energy: 1.235929112452956
Energy: 1.2298664365384113
Energy: 1.2263332286853672
Energy: 1.2302438549286223
Energy: 1.4540876281482082
Energy: 1.2314853903456653
Energy: 1.2321405762779485
Energy: 1.2570983961938926
Energy: 1.242644351912717
Energy: 1.2336873029396385
Energy: 1.292956188150504
Energy: 2.911801113566715
Energy: 1.2392870671160243
Energy: 1.1920153089237435
Energy: 2.587593584344832
Energy: 1.1903691957926954
Energy: 1.449999744828781
Energy: 1.231702211791444
Energy: 1.2312798316066877
Energy: 1.2365378143859858
Energy: 1.2775887928434986
Energy: 1.2385707277250724
Energy: 1.493415501268656
Energy: 1.229942400394468
Energy: 1.2313457901829652
Energy: 1.2299412284406686
Energy: 1.229156015805731
Energy: 1.2314027381240413
Energy: 1.4232557908137735
Energy: 1.2305349614339003
Energy: 1.2320308097676058
Energy: 1.2311182635289208
Energy: 1.229153263324115
Energy: 1.2331540257495908
Energy: 1.237307769809444
Energy: 1.231091743176881
Energy: 1.2305124046413503
Energy: 1.240747367819384
Energy: 1.2281772501870356
Energy: 1.2369596143008874
Energy: 1.3094117755831605
Energy: 1.2360969749984905
Energy: 1.235523778011374
Energy: 1.2406032314203044
Energy: 1.2314615622636038
Energy: 1.2345346362616187
Energy: 1.2637837710819544
Energy: 1.2217389703459292
Energy: 1.2195960571754034
Energy: 1.2270545865371159
Energy: 1.2189280042743658
Energy: 1.248648464659255
Energy: 1.2213624854161158
Energy: 1.2180852159617597
Energy: 1.2182105215112615
Energy: 1.2660138039045237
Energy: 1.2173993322980592
Energy: 1.2307673318860917
Energy: 1.232066458435382
Energy: 1.2321393196906028
Energy: 1.2327620551229919
Energy: 1.2281163721988486
Energy: 1.232147453411202
Energy: 1.2320143852647158
Energy: 1.2217545142858273
Energy: 1.2307305160270148
Energy: 1.2304241064423642
Energy: 1.2285090740405509
Energy: 1.2300115649945602
Energy: 1.229116330233514
Energy: 1.3158483171326063
Energy: 1.2104330969630321
Energy: 1.2042393262144302
Energy: 1.281811621617708
Energy: 1.206818732638048
Energy: 1.204720791532159
Energy: 1.4543576740597337
Energy: 1.2025218129524327
Energy: 1.2048017810003866
Energy: 1.2275512606406571
Energy: 1.2004397053953817
Energy: 1.2272301151019671
Energy: 1.2683192881250118
Energy: 1.2292993177816887
Energy: 1.226396064155582
Energy: 1.2152402519764711
Energy: 1.2583116346893377
Energy: 1.2267800490889986
Energy: 1.2704316771715698
Energy: 1.2572498694044694
Energy: 1.2291242967765386
Energy: 1.2150947936878889
Energy: 1.2584938491785231
Energy: 1.2280754693586153
Energy: 1.4581135491592232
Energy: 1.2278143447870211
Energy: 1.2282587776947638
Energy: 1.2290727115219295
Energy: 1.227467649000887
Energy: 1.2287200851423077
Energy: 1.4554899450535
Energy: 1.2298547313321837
Energy: 1.2306753264715864
Energy: 1.2327032576298191
Energy: 1.2293212481499796
Energy: 1.2316166861983096
Energy: 1.2949491555813326
Energy: 2.353995974945257
Energy: 1.2371556522777718
Energy: 1.1925379839120447
Energy: 1.2578688551608241
Energy: 1.2368850099665816

minimum gb energy = 1.1903691957926954 eV
minimum distance =  2.20897489844366 Angstroms
sigma value = 33


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

Energy: 0.02037629268756159
Energy: 0.021408621753615693
Energy: 0.021423219303418957
Energy: 0.02297410759586889
Energy: 1.1633223300302729
Energy: 0.021049595862607174
Energy: 0.021591563628503525
Energy: 0.16886439911476955
Energy: 0.1664112328368444
Energy: 0.16904537865823532
Energy: 0.16882713239062314
Energy: 0.16630988246670858
Energy: 1.619823369980609
Energy: 1.0623992109916414
Energy: 1.0600583447833793
Energy: 1.0622331125771722
Energy: 1.060625475762332
Energy: 1.0601587292174017
Energy: 0.7246673865745221
Energy: 0.16886439911523735
Energy: 0.1664112328364286
Energy: 0.16904537865823532
Energy: 0.16882713239062314
Energy: 0.16630988246717637

minimum gb energy = 0.02037629268756159 eV
minimum distance =  2.45591641448942 Angstroms
sigma value = 1