Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_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=3.520000994205475
cohesive_energy=4.414156524791696
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=[1.78964732194434e-19, 2.7050188982475597e-19, 3.3921283695047995e-19, 3.9445909164406796e-19, 4.404383566866e-19, 4.79493014316984e-19, 5.13098669215134e-19, 5.42258283953934e-19, 5.67694440195318e-19, 5.89947071464944e-19, 6.094327436876519e-19, 6.264863117799479e-19, 6.413753392397099e-19, 6.543209264424299e-19, 6.65508925877652e-19, 6.75094748678874e-19, 6.8321618203662e-19, 6.89986980491904e-19, 6.95508081172668e-19, 6.9987080814704995e-19, 7.03150463716848e-19, 7.054207480072259e-19, 7.06740941553642e-19, 7.0717032489155395e-19, 7.067121023742299e-19, 7.05233293341048e-19, 7.025656692454379e-19, 6.9850094712498e-19, 6.92798800484574e-19, 6.851740418833679e-19, 6.752806011684179e-19, 6.6270511676815195e-19, 6.4695091392603005e-19, 6.274107676977659e-19, 6.03341268125184e-19, 5.73829174526904e-19, 5.377433501993219e-19, 4.936626644680799e-19, 4.39794281679732e-19, 3.7385189577756e-19, 2.92884297401736e-19, 1.9303985392412399e-19, 6.92056992703032e-20, -8.54935871492106e-20, -2.8048505243121e-19, -5.2895060483193e-19, -8.497848736137959e-19, -1.27081446255612e-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: -0.0364522165523 eV

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

Energy: 0.017954769015571363
Energy: 0.5413996788580449
Energy: 0.018289033292438115
Energy: 0.018246784807356576
Energy: 0.5408917249486324
Energy: 0.018487851185902033
Energy: 0.541399678857714
Energy: 0.15278962212099859
Energy: 0.1528554331990618
Energy: 0.15284884342449961
Energy: 0.15284468798811726
Energy: 0.15431987599827968
Energy: 0.018289033289865503
Energy: 0.1528554331993926
Energy: 0.15443330665372423
Energy: 0.018331227283573892
Energy: 0.1527710475447084
Energy: 0.1539764770502744
Energy: 0.018246784807025813
Energy: 0.1528488434248304
Energy: 0.01833122728225084
Energy: 0.018489938018887517
Energy: 0.15287555145577816
Energy: 0.018522040420434243
Energy: 0.5408917249496247
Energy: 0.15284468798811726
Energy: 0.15277104754503917
Energy: 0.15287555145577816
Energy: 0.15284487527343368
Energy: 0.15274903268956322
Energy: 0.018487851186894323
Energy: 0.15431987599798566
Energy: 0.1539764770502744
Energy: 0.018522040420140228
Energy: 0.15274903268989395
Energy: 0.018824400351155835

minimum gb energy = 0.017954769015571363 eV
minimum distance =  2.48411569123437 Angstroms
sigma value = 1


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

Energy: 1.6422255344282068
Energy: 1.6399662682728395
Energy: 1.1352444991648325
Energy: 1.0531117864487847
Energy: 1.6408004005201349
Energy: 1.1354740939592114
Energy: 1.5104083351478281
Energy: 1.090506981038888
Energy: 1.0189238853576192
Energy: 1.0818155565314937
Energy: 1.0918316978746925
Energy: 1.0464309756643986
Energy: 1.5329817434459025
Energy: 1.0394998310251504
Energy: 1.038967566685377
Energy: 1.055658681073231
Energy: 1.0665075211679333
Energy: 1.071137332434259
Energy: 1.6334661352026576
Energy: 1.0421389906532028
Energy: 1.037697747261866
Energy: 1.050874639539933
Energy: 1.0632752547735904
Energy: 1.0375534992848907
Energy: 1.5123082363991742
Energy: 1.0769123586438751
Energy: 1.0935510663516075
Energy: 1.0813122655370917
Energy: 1.059503999006609
Energy: 1.093771393044352
Energy: 1.4941596658511878
Energy: 1.09441013646029
Energy: 1.0936551565085202
Energy: 1.0736883332096763
Energy: 1.0472033514861714
Energy: 1.0948875806629885
Energy: 1.495583762619507
Energy: 1.0780956291179817
Energy: 1.0944070895077278
Energy: 1.0741045896223753
Energy: 1.046278536258466
Energy: 1.0930874878790773
Energy: 1.4264454447321686
Energy: 1.0473964476663862
Energy: 1.0956340543273915
Energy: 1.0019524891884413
Energy: 1.0471108852431958
Energy: 1.0937395369170706
Energy: 1.2261911956340679
Energy: 1.0723841926590612
Energy: 1.0937773236542707
Energy: 1.1104418003177543
Energy: 1.0567109276770543
Energy: 1.0914759406331216
Energy: 1.220563004890641
Energy: 1.0817871992995312
Energy: 1.0898740935467879
Energy: 1.0556713385269842
Energy: 1.0823342929442525
Energy: 1.0677868531773542
Energy: 1.230983388961197
Energy: 1.0172212639434997
Energy: 1.0162046285019029
Energy: 1.096295437578135
Energy: 1.08081236110496
Energy: 1.0569212397925671
Energy: 1.1090841177352222
Energy: 1.0523424331551483
Energy: 1.0710793927110451
Energy: 1.0627466899689741
Energy: 1.064045385692811
Energy: 1.038915925877919
Energy: 1.1065385541653818
Energy: 1.0738649826990487
Energy: 1.0938785437482619
Energy: 1.0924794818673393
Energy: 1.0991662963950104
Energy: 1.0192950836196835
Energy: 1.2386949828071294
Energy: 1.037732793622802
Energy: 1.036685923204349
Energy: 1.0701096581679455
Energy: 1.0711023015476342
Energy: 1.0646809706695604
Energy: 1.1444453613165797
Energy: 1.0809918129003409
Energy: 1.0737364379818035
Energy: 1.0781309846562235
Energy: 1.080703437190888
Energy: 1.0191558609465667
Energy: 1.1443291191071716
Energy: 1.0714033525985485
Energy: 1.0710933980722097
Energy: 1.0876751466234287
Energy: 1.0366155617374286
Energy: 1.071316266656738
Energy: 1.3552775725332298
Energy: 1.0753803015205559
Energy: 1.0916558187178056
Energy: 1.0386684013100584
Energy: 1.0747968337140317
Energy: 1.0722088320051706
Energy: 1.3557304933659748
Energy: 1.0624212285960617
Energy: 1.100549131443142
Energy: 1.0600326511526714
Energy: 1.059623642469365
Energy: 1.1000098142607635
Energy: 1.355861962222342
Energy: 1.100897080559203
Energy: 1.1003005961910355
Energy: 1.0583275691160359
Energy: 1.078846221069316
Energy: 1.0996872799055615
Energy: 1.4599750526538153
Energy: 1.101618029748222
Energy: 1.1004393688234932
Energy: 1.0575898856747716
Energy: 1.0616949195623104
Energy: 1.0993441602698897
Energy: 1.555165462787046
Energy: 1.03920412179837
Energy: 1.0172721920561747
Energy: 1.0785169540593236
Energy: 1.0403435405453059
Energy: 1.01738714055409
Energy: 1.5574444434741395
Energy: 1.0729315240511341
Energy: 1.0729905745637591
Energy: 1.046011065835042
Energy: 1.0711881865368182
Energy: 1.0714175487838336
Energy: 1.5807371590940205
Energy: 1.0760586404382928
Energy: 1.0189939671051003
Energy: 1.09843888007863
Energy: 1.0762852500815947
Energy: 1.0449200079947931

minimum gb energy = 1.0019524891884413 eV
minimum distance =  2.33442745905699 Angstroms
sigma value = 33


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

Energy: 1.9488301190552053
Energy: 1.1231241299623234
Energy: 1.122477093017039
Energy: 1.1207644638783494
Energy: 1.106523237517847
Energy: 1.224692914492622
Energy: 1.3211755574509332
Energy: 1.074924164992762
Energy: 1.0748536888713407
Energy: 1.1339420854786018
Energy: 1.0748248934874383
Energy: 1.0462530797226675
Energy: 1.220531919334981
Energy: 1.0940310485207012
Energy: 1.1228173372988741
Energy: 1.188948428950681
Energy: 1.0919790555623345
Energy: 1.046843915665378
Energy: 1.579963954005543
Energy: 1.2218281070697379
Energy: 1.1203980851092186
Energy: 1.1585141261410048
Energy: 1.214588380274905
Energy: 1.1438122283880219
Energy: 1.3222945281359617
Energy: 1.108124671706729
Energy: 1.1189315206634627
Energy: 1.1232520586779198
Energy: 1.1077173507231588
Energy: 1.1514616097888164
Energy: 1.5359152031468601
Energy: 1.259114310611853
Energy: 1.103653703760038
Energy: 1.1278848634595406
Energy: 1.2413894250345718
Energy: 1.166455976452737
Energy: 1.5341313236260135
Energy: 1.2543857762684931
Energy: 1.2655312131074785
Energy: 1.193261414956584
Energy: 1.1497951031863098
Energy: 1.1846015858393517
Energy: 1.239861600382387
Energy: 1.1937826565044443
Energy: 1.1950802438858898
Energy: 1.1360534982735857
Energy: 1.1936364244642133
Energy: 1.1970494756859795
Energy: 1.2986023716004829
Energy: 1.194164263769444
Energy: 1.204085806155732
Energy: 1.2083077150179211
Energy: 1.1411693743178324
Energy: 1.2014469352923591
Energy: 1.2979397073663668
Energy: 1.1961959100516966
Energy: 1.2096200070342873
Energy: 1.1571660034727382
Energy: 1.1665240447721623
Energy: 1.1738669366947883
Energy: 1.2597174458359908
Energy: 1.0834533649628608
Energy: 1.0832728429522394
Energy: 1.1810712524598612
Energy: 1.0348700377183824
Energy: 1.0344190290729443
Energy: 1.1928578561548762
Energy: 1.1079651538575974
Energy: 1.1564370615320214
Energy: 1.1597049860567328
Energy: 1.067824807967376
Energy: 1.143937054572756
Energy: 1.1998722203092507
Energy: 1.2943398408480813
Energy: 1.1944313468166476
Energy: 1.1889653919527385
Energy: 1.2115821478317963
Energy: 1.1401704659643133
Energy: 1.198478975059292
Energy: 1.1431947318049693
Energy: 1.1432522150145121
Energy: 1.2244991798505453
Energy: 1.1429475792685777
Energy: 1.1590728520698987
Energy: 1.2214021635652406
Energy: 1.1949213950024702
Energy: 1.163956858126987
Energy: 1.1974425078308835
Energy: 1.196110833695261
Energy: 1.214926266129303
Energy: 1.2526966825735126
Energy: 1.2564112835203842
Energy: 1.2572142826538661
Energy: 1.186543021464194
Energy: 1.1852433067567043
Energy: 1.186567283280358
Energy: 1.2760192235550398
Energy: 1.2396287640937516
Energy: 1.2380834230872988
Energy: 1.240541540150501
Energy: 1.2414042310632472
Energy: 1.2381743261099651
Energy: 1.4090994340453313
Energy: 1.192690511817031
Energy: 1.2326473347449538
Energy: 1.1928342532884226
Energy: 1.1454566743168537
Energy: 1.196486277270718
Energy: 1.1880032139710381
Energy: 1.2925349096537573
Energy: 1.288966465925054
Energy: 1.1389592654293603
Energy: 1.294014368243129
Energy: 1.2818881308874366
Energy: 1.2527752470638123
Energy: 1.2901280273148137
Energy: 1.2842662249009502
Energy: 1.2335113722929134
Energy: 1.2910813194853101
Energy: 1.2740428171028009
Energy: 1.658908080110578
Energy: 1.1733320438213313
Energy: 1.033588212772169
Energy: 1.0356081033428022
Energy: 1.1670876031709958
Energy: 1.033693495452002
Energy: 1.1161413001516294
Energy: 1.23756466162088
Energy: 1.2371502931230902
Energy: 1.067947873613062
Energy: 1.2456676363864634
Energy: 1.21920251686354
Energy: 1.4090450733987767
Energy: 1.2764297767547963
Energy: 1.2757599280935796
Energy: 1.297259370792318
Energy: 1.276570543794534
Energy: 1.2213248884909824
Energy: 1.6492951857934919
Energy: 1.259962456460879
Energy: 1.308958967367254
Energy: 1.141217198036962
Energy: 1.261860245493642
Energy: 1.2067641140243912
Energy: 1.4215846300254757
Energy: 1.2881904012332626
Energy: 1.288716306837906
Energy: 1.2794622158289906
Energy: 1.2873143782853682
Energy: 1.2414595163978406
Energy: 1.1575294429168181
Energy: 1.2526862596517605
Energy: 1.2554791771586709
Energy: 1.2499318078640016
Energy: 1.2535241876945842
Energy: 1.255481203109569
Energy: 1.2163012374627262
Energy: 1.1540937096928914
Energy: 1.1539800260500732
Energy: 1.1825658511638655
Energy: 1.249624523866907
Energy: 1.1595773988526368
Energy: 1.1805866386093895
Energy: 1.1938488729640473
Energy: 1.1964008665485755
Energy: 1.1508253822765375
Energy: 1.1928797741565638
Energy: 1.2837592880283715
Energy: 1.294397229060081
Energy: 1.1940183403085867
Energy: 1.1948694246731382
Energy: 1.2261440902415313
Energy: 1.193589395933434
Energy: 1.1913242063692613
Energy: 1.2935234514925362
Energy: 1.212102021530573
Energy: 1.1877148792534733
Energy: 1.2156542336155252
Energy: 1.2605070992320437
Energy: 1.1934430690341558
Energy: 1.290520581599818
Energy: 1.033645920256996
Energy: 1.0334830814372358
Energy: 1.158532167883793
Energy: 1.084072214729874
Energy: 1.082262882041242
Energy: 1.2060078141672366
Energy: 1.0190942270243415
Energy: 1.025485676831977
Energy: 1.1734528435006812
Energy: 1.0702179478362797
Energy: 1.1374201735989424
Energy: 1.2035936878046174
Energy: 1.1870030904962354
Energy: 1.1316104135689031
Energy: 1.2038492073262315
Energy: 1.3029651199932217
Energy: 1.1870534806843038
Energy: 1.2118410582902246
Energy: 1.141206756432142
Energy: 1.126049986075552
Energy: 1.212142013863859
Energy: 1.1414915578616611
Energy: 1.1658053476002896
Energy: 1.2370113255345516
Energy: 1.2077199584843856
Energy: 1.2174530886375081
Energy: 1.1753256603987774
Energy: 1.205971152752774
Energy: 1.222606762822459
Energy: 1.328095471408038
Energy: 1.1911168612821184
Energy: 1.1924371666900062
Energy: 1.257864710727117
Energy: 1.2441767495814293
Energy: 1.2596108112229418
Energy: 1.182094854188143
Energy: 1.1770443204963001
Energy: 1.077983006649398
Energy: 1.09739084171907
Energy: 1.0930883552964168
Energy: 1.2634263486537658
Energy: 1.1902480532821245
Energy: 1.2239806256000874
Energy: 1.1157706808015324
Energy: 1.139190904913079
Energy: 1.063460500001615
Energy: 1.2789001568832095
Energy: 1.406160950900987
Energy: 1.119406817583992
Energy: 1.117956976676904
Energy: 1.1931209249217147
Energy: 1.1102767746041873
Energy: 1.1956054543246475
Energy: 1.298381661016042
Energy: 1.138601003935303
Energy: 1.1076630884144343
Energy: 1.1234089229852995
Energy: 1.1391242371584338
Energy: 1.1007440454860005
Energy: 1.1947066637563566
Energy: 1.054380987246163
Energy: 1.0333716014848353
Energy: 1.0353328656034617
Energy: 1.0747067284542524
Energy: 1.131629422976883

minimum gb energy = 1.0190942270243415 eV
minimum distance =  2.28778802722349 Angstroms
sigma value = 51


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

Energy: 1.7100635062051321
Energy: 1.1399405487769476
Energy: 1.0830308363850358
Energy: 1.0824897105652365
Energy: 1.1396485941898273
Energy: 1.1361725864948886
Energy: 1.318230279800746
Energy: 1.0860995603949404
Energy: 1.0858653611806985
Energy: 1.09073113794795
Energy: 1.1179259507743762
Energy: 1.0856328788419791
Energy: 1.5323935307438654
Energy: 1.085055536839455
Energy: 1.0712190668877837
Energy: 1.089216575141869
Energy: 1.0872223698534818
Energy: 1.0718624835404873
Energy: 1.5315508304673893
Energy: 1.071819467872182
Energy: 1.0711389965983267
Energy: 1.0890571818620765
Energy: 1.0840301718263843
Energy: 1.0875892111641303
Energy: 1.318133778066341
Energy: 1.1200271185038837
Energy: 1.118718299960666
Energy: 1.0868324848111461
Energy: 1.1407599644195043
Energy: 1.1181835493999832
Energy: 1.3182845190684789
Energy: 1.1202083997975216
Energy: 1.118110829941753
Energy: 1.1217649235345957
Energy: 1.1201969108751872
Energy: 1.1175245811109966
Energy: 1.3175634964150493
Energy: 1.1213783904695132
Energy: 1.118948087429173
Energy: 1.142976231006512
Energy: 1.0879222661789962
Energy: 1.118134577598316
Energy: 1.3306511767967235
Energy: 1.0633183275391656
Energy: 1.0629721914064956
Energy: 1.0838847115380659
Energy: 1.0633888126251805
Energy: 1.0625317501926028
Energy: 1.1364169163510807
Energy: 1.063401538364406
Energy: 1.0633129654541478
Energy: 1.0863614384127491
Energy: 1.063313629036615
Energy: 1.0707200822763001
Energy: 1.1370842088417008
Energy: 1.095718093511866
Energy: 1.062240755329929
Energy: 1.1186177049662465
Energy: 1.0663556991485776
Energy: 1.0861003498461668
Energy: 1.1660315478873482
Energy: 1.0442222103462995
Energy: 1.0619452408977392
Energy: 1.0680660589558935
Energy: 1.0426705167899462
Energy: 1.0687743530920941
Energy: 1.1796324262709856
Energy: 1.1198691292614749
Energy: 1.0820814475365519
Energy: 1.1040352705938232
Energy: 1.1089463140897435
Energy: 1.0607884306931459
Energy: 1.178420954988956
Energy: 1.0899373572730058
Energy: 1.0892809312215832
Energy: 1.1046482892274327
Energy: 1.090140819046747
Energy: 1.0903438268828147
Energy: 1.1800442008592302
Energy: 1.0969022702617641
Energy: 1.0468530678089927
Energy: 1.1068574653461598
Energy: 1.0971068692001766
Energy: 1.0431358822752963
Energy: 1.404470564180528
Energy: 1.091315681398332
Energy: 1.089131056661834
Energy: 1.1039554805223217
Energy: 1.0906487770293372
Energy: 1.0892469265542275
Energy: 1.4102077156815414
Energy: 1.1093317313136022
Energy: 1.0920671018129207
Energy: 1.1093550786303332
Energy: 1.108361543995925
Energy: 1.1084647974627742
Energy: 1.4375873778135133
Energy: 1.1075867420452028
Energy: 1.1071704909094122
Energy: 1.1150929265330296
Energy: 1.1071259785888259
Energy: 1.0920243739616464
Energy: 1.6561685141177716
Energy: 1.1050394734100408
Energy: 1.0658077162700146
Energy: 1.0610996708524523
Energy: 1.1050302080338883
Energy: 1.0415293810305133

minimum gb energy = 1.0415293810305133 eV
minimum distance =  2.33867713701946 Angstroms
sigma value = 19


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

Energy: 1.441155956893657
Energy: 1.0381751364407992
Energy: 1.0292365220038937
Energy: 1.1792286704279575
Energy: 1.0561824262421136
Energy: 1.0318137400308687
Energy: 1.2453429641265308
Energy: 1.0577079764760184
Energy: 1.0476177746035504
Energy: 1.0502500761275853
Energy: 1.056999434782626
Energy: 1.033334939043746
Energy: 1.5548991518020043
Energy: 1.0579750188322103
Energy: 1.057812855941763
Energy: 1.0746758810123382
Energy: 1.0565381547886372
Energy: 1.0570644521254606
Energy: 1.2341099358883736
Energy: 1.056647767205146
Energy: 1.0569286711723052
Energy: 1.0608404686287363
Energy: 1.0566446705405366
Energy: 1.051531806696274
Energy: 1.243861496051754
Energy: 1.056309770572597
Energy: 1.080452818861286
Energy: 1.0777811895719658
Energy: 1.0561376387293544
Energy: 1.082316424529352
Energy: 1.2441365841084762
Energy: 0.9659059263036227
Energy: 1.071582531338672
Energy: 1.0755734099689407
Energy: 0.9977171443990157
Energy: 1.0698806834573518
Energy: 1.2436907204734655
Energy: 1.0732119214407525
Energy: 1.0721804528973575
Energy: 1.0739697795420886
Energy: 1.0073128718977788
Energy: 1.0709565331667656
Energy: 1.1984349791076816
Energy: 0.9657825161307392
Energy: 0.9657113404755131
Energy: 1.1973185366251082
Energy: 0.9661057195827597
Energy: 0.9655142803437926
Energy: 1.0575313112893108
Energy: 0.9657077803304981
Energy: 0.9654508263450475
Energy: 1.0573558128468965
Energy: 0.9653874270343487
Energy: 0.9656079209838265
Energy: 1.0565157625437245
Energy: 1.0387212542604036
Energy: 1.033835936327907
Energy: 1.0566469889417873
Energy: 1.076128575746756
Energy: 1.0569974876311095
Energy: 1.056819978792888
Energy: 1.0257365206276674
Energy: 1.026660972748813
Energy: 1.0568701044900384
Energy: 1.02539224544849
Energy: 1.0500174326815324
Energy: 1.2429190018729563
Energy: 1.076389841274356
Energy: 1.0735945140459902
Energy: 1.0570041647751591
Energy: 1.0759599835933842
Energy: 1.0569067913461034
Energy: 1.0217654511307839
Energy: 1.0737897808369448
Energy: 1.060665793141734
Energy: 1.021836529575095
Energy: 1.0744910259256646
Energy: 1.0437831328667182
Energy: 1.244182982534922
Energy: 1.076616755579644
Energy: 1.0761155048984743
Energy: 1.057030501171006
Energy: 1.0755469735470178
Energy: 1.0755705008441143
Energy: 1.4506149935613795
Energy: 1.0340036408691575
Energy: 1.0339056432444642
Energy: 0.965573943734237
Energy: 1.0337578439597954
Energy: 0.9657468092630824
Energy: 1.4480903308230253
Energy: 1.0581082340660168
Energy: 0.9655042119901887
Energy: 0.9670613242901602
Energy: 1.0573506797371122
Energy: 0.9657631416395983
Energy: 1.2425190595082185
Energy: 1.0569208196615583
Energy: 1.0567211780256849
Energy: 1.0748648716015103
Energy: 1.0565017040429576
Energy: 1.0397227219871001
Energy: 1.2303142070437172
Energy: 1.0568703148540286
Energy: 1.0565317894810793
Energy: 1.0254756400914313
Energy: 1.0565436792834666
Energy: 1.0562183734357118
Energy: 1.230308195108235
Energy: 1.0568879098089534
Energy: 1.0569157678721315
Energy: 1.0268888404618295
Energy: 1.056710214594375
Energy: 1.0526720195741288
Energy: 1.2445097632897988
Energy: 0.9656521153031165
Energy: 1.079416422017708
Energy: 1.0619229263330745
Energy: 0.9984220820421517
Energy: 1.0764620182260913
Energy: 1.2385596730485362
Energy: 1.0674541949357872
Energy: 1.0743162304286062
Energy: 1.0768067640377048
Energy: 1.0565008046830977
Energy: 1.0759060562823908
Energy: 1.243253424093094
Energy: 1.061702346304545
Energy: 1.071333538991621
Energy: 1.0734522930514343
Energy: 1.076444193556301
Energy: 1.0725903423810796
Energy: 1.1996805688634833
Energy: 0.9682100283412655
Energy: 0.9665942791630359
Energy: 1.2000546342614555
Energy: 0.9666583635308792
Energy: 1.0287828562941148
Energy: 1.0570916229496916
Energy: 1.0242214311320017
Energy: 1.0340294763402298
Energy: 1.0572460814665472
Energy: 1.0176838999312339
Energy: 1.040812172507667
Energy: 1.0575084188543502
Energy: 1.0304513860389801
Energy: 1.03328521603396
Energy: 1.0569225290304145
Energy: 1.0766558687018684
Energy: 1.057414843476773
Energy: 1.2021524443337674
Energy: 1.0252355515703195
Energy: 1.0257347618389583
Energy: 1.2022444387073552
Energy: 1.02829334976984
Energy: 1.056498340271396
Energy: 1.2431293962016
Energy: 1.075225770694068
Energy: 1.0741451534843225
Energy: 1.0734970665674322
Energy: 1.0771889205021892
Energy: 1.085822127137865
Energy: 1.0225951613136124
Energy: 1.0736598710807486
Energy: 1.0702661640392175
Energy: 1.0215753283194988
Energy: 1.074808700985804
Energy: 1.0708280980719527
Energy: 1.2010507588042787
Energy: 1.07340115849699
Energy: 1.0715127088980807
Energy: 1.0116242428729898
Energy: 1.0740551647926337
Energy: 1.0706057002235745
Energy: 1.4488510731899535
Energy: 1.0335795959661733
Energy: 0.9653568934520377
Energy: 0.96644303266683
Energy: 1.0329034730913038
Energy: 0.9656254752082544

minimum gb energy = 0.9653568934520377 eV
minimum distance =  2.38473212815051 Angstroms
sigma value = 27


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

Energy: 1.236402617857907
Energy: 1.1159454384188499
Energy: 1.346747946712102
Energy: 1.0586240125504074
Energy: 1.0639415068896325
Energy: 1.2270343604853442
Energy: 1.2320291480572774
Energy: 1.0420260520782936
Energy: 1.0412145255197105
Energy: 0.9691722745390191
Energy: 1.0367934176280598
Energy: 0.9665584402694148
Energy: 1.1145595692261192
Energy: 1.0606807907508926
Energy: 1.0376227908040598
Energy: 0.9675030929837483
Energy: 1.0624344929985603
Energy: 0.9685140786623824
Energy: 1.1164919573930183
Energy: 1.0362505054515683
Energy: 1.0016718229537587
Energy: 0.9690226216141089
Energy: 1.020684755893513
Energy: 0.9700139440230238
Energy: 1.2327781991370148
Energy: 0.9218838047362731
Energy: 0.9660590577895768
Energy: 1.0350370525142725
Energy: 0.9215387534420785
Energy: 0.9662356856934856
Energy: 1.0617477461176825
Energy: 0.9219300079420524
Energy: 0.921274956444627
Energy: 1.034179485681879
Energy: 0.9216419379398161
Energy: 0.9214752140984428
Energy: 1.0669649290106344
Energy: 0.9668197561453629
Energy: 0.9678258401412428
Energy: 1.0671662609147294
Energy: 0.9666864297782577
Energy: 0.966712257778299
Energy: 1.0685755865918134
Energy: 0.9633872067175717
Energy: 0.9625305108214284
Energy: 1.0684694822905476
Energy: 0.9626135936630188
Energy: 0.9650888984912952
Energy: 1.1150154380210064
Energy: 0.9630102648178167
Energy: 0.9583417681812967
Energy: 1.0663397927953733
Energy: 0.961492477581409
Energy: 0.9664511186958
Energy: 0.981699121659076
Energy: 0.9741136971375116
Energy: 0.9709156978543243
Energy: 0.9780222799909125
Energy: 0.9683064446489137
Energy: 0.9720330956383154
Energy: 1.1147472768910753
Energy: 1.0346398461697122
Energy: 0.9683604426923992
Energy: 0.9759157011986999
Energy: 1.0447641466722506
Energy: 0.9754013109944579
Energy: 1.1115990182942082
Energy: 0.9672221019789734
Energy: 0.9663387743570762
Energy: 0.9675468169393862
Energy: 1.037050644256068
Energy: 0.9663089911720304

minimum gb energy = 0.921274956444627 eV
minimum distance =  2.33656887965312 Angstroms
sigma value = 9


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

Energy: 2.0088112429500997
Energy: 0.9858649668827668
Energy: 0.8681781590512019
Energy: 1.0131342949308797
Energy: 0.9858497832512317
Energy: 0.9105561948026488
Energy: 1.0185528018921644
Energy: 0.9069036082486155
Energy: 0.903812610366323
Energy: 0.8868494549287332
Energy: 0.905463529696852
Energy: 0.8828412240062586
Energy: 0.9491320237616715
Energy: 0.9054692354057995
Energy: 0.8849961324278516
Energy: 0.8999175423570586
Energy: 0.9242000507494668
Energy: 0.88457714054803
Energy: 0.9494815049734691
Energy: 0.8852196480051608
Energy: 0.868027052667067
Energy: 0.899715802261887
Energy: 0.9325551820002516
Energy: 0.8664974587940903
Energy: 1.0131311825378058
Energy: 0.9104582038749772
Energy: 0.8845454660089448
Energy: 0.9359177020260826
Energy: 0.9091661760338556
Energy: 0.9031183184135155
Energy: 0.9521692924423649
Energy: 0.8850618937089385
Energy: 0.9024660560348869
Energy: 0.9516118122372772
Energy: 0.875544654218183
Energy: 0.8430248369574185
Energy: 0.9542409314549192
Energy: 0.868869193409774
Energy: 0.8685922197149698
Energy: 0.9551986722276014
Energy: 0.9131972135166679
Energy: 0.9267284625989084
Energy: 0.9333448072306894
Energy: 0.9175823445050844
Energy: 0.9276028246986937
Energy: 0.9332243855940595
Energy: 0.8959835885309255
Energy: 0.8638535179037962
Energy: 0.9217945888232298
Energy: 0.9311205322911257
Energy: 0.8686124383105802
Energy: 0.9420584613649098
Energy: 0.9310019098911737
Energy: 0.8686080313018335
Energy: 0.8746436615446148
Energy: 0.9117823734261093
Energy: 0.8678846262080432
Energy: 0.8714533749939645
Energy: 0.939394187664451
Energy: 0.8846033917978546
Energy: 0.8749975036769947
Energy: 0.9567650895743935
Energy: 0.9527154255647765
Energy: 0.8734093061547419
Energy: 0.9601005576923047
Energy: 0.904822887652333
Energy: 0.9220337307040873
Energy: 0.9545480974058128
Energy: 0.9544190195893604
Energy: 0.8846468051041732
Energy: 0.9541417555700803
Energy: 0.8692796323777844
Energy: 1.7536559956061195
Energy: 1.0632227956495512
Energy: 0.8925186996917478
Energy: 0.86627647923703
Energy: 0.9486303208926786
Energy: 0.9493661771188957
Energy: 1.0279813438544914
Energy: 0.9545186500530877
Energy: 0.8928260368376554
Energy: 0.88454286165953
Energy: 0.9547886697683811
Energy: 0.9055319440299119
Energy: 0.925302322720095
Energy: 0.9116206900852896
Energy: 0.9141191581547077
Energy: 0.9072495464987846
Energy: 0.9155682271024369
Energy: 0.8704971023836541
Energy: 0.9247747786622579
Energy: 0.8731509549640948
Energy: 0.8826959703691313
Energy: 0.9234202595892422
Energy: 0.9231834134060853
Energy: 0.8995726166136399
Energy: 0.9229835096739781
Energy: 0.8821604213231824
Energy: 0.8667091393590424
Energy: 0.9044366699595515
Energy: 0.8818893256355538
Energy: 0.8872361737121104
Energy: 0.9490443659599249
Energy: 0.916015268366014
Energy: 0.8872449688783888
Energy: 0.9040026232029448
Energy: 0.8911764688313593
Energy: 0.9051415569109085
Energy: 0.9498151298949709
Energy: 0.887976757264996
Energy: 0.8858142351302083
Energy: 0.9051850255514527
Energy: 0.8881641962431838
Energy: 0.8756036484768412
Energy: 0.9481325237432275
Energy: 0.8810543663497011
Energy: 0.887372921543014
Energy: 0.8820665671804413
Energy: 0.8803644703337404
Energy: 0.8805650808961231
Energy: 0.9482980319505371
Energy: 0.8749192489014528
Energy: 0.8751810606452958
Energy: 0.89418213971614
Energy: 0.8729665700759812
Energy: 0.874347248439794
Energy: 0.9982274770215518
Energy: 0.905995935035376
Energy: 0.9598568784188518
Energy: 0.91041598041398
Energy: 0.9040217191634137
Energy: 0.8977603911926949
Energy: 0.993256351869769
Energy: 0.9046077971158556
Energy: 0.9068618922792615
Energy: 0.9099387514578393
Energy: 0.9236341750074413
Energy: 0.8415080516302951
Energy: 0.948523689468471
Energy: 0.9064867944355561
Energy: 0.8963930820999454
Energy: 0.936853398913781
Energy: 0.9070839009842379
Energy: 0.9005060465962789
Energy: 1.2589993078404353
Energy: 0.8633388291835585
Energy: 0.8830607246678117
Energy: 0.8667048881615329
Energy: 0.9036990712803377
Energy: 0.926943907901239
Energy: 0.9477025514920508
Energy: 0.8855875283131118
Energy: 0.8695116454237558
Energy: 0.9556304972514922
Energy: 0.885514357859574
Energy: 0.9075931487729825
Energy: 0.8870284141234839
Energy: 0.8742455526148988
Energy: 0.8845841506960016
Energy: 0.8868128167579381
Energy: 0.8740908783193819
Energy: 0.9086408433339127
Energy: 0.9559892073505908
Energy: 0.8682080600288697
Energy: 0.869552979094341
Energy: 0.9544127672047172
Energy: 0.885402685133331
Energy: 0.9217765362962632
Energy: 0.9547153046102625
Energy: 0.9032019743324933
Energy: 0.868994566296213
Energy: 0.9549699976517381
Energy: 0.9029853029004398
Energy: 0.9584160998237844
Energy: 0.921450031413494
Energy: 0.8891543980091235
Energy: 0.8685961349139969
Energy: 0.9709944502978084
Energy: 0.8949480028663359
Energy: 0.8674963758051601
Energy: 0.8752185934997585
Energy: 0.9322102350528815
Energy: 0.8706973996620625
Energy: 0.907389256895182
Energy: 0.9313998307191196
Energy: 0.9047793219422434
Energy: 0.8815683272182373
Energy: 0.9030295293902592
Energy: 0.8880721018178862
Energy: 0.8724785061030816
Energy: 0.9368745653131851
Energy: 0.883559361871377
Energy: 0.940782152773177
Energy: 0.9553042898497778
Energy: 0.9542072073163448
Energy: 0.9405746914633513
Energy: 0.9551111937158937
Energy: 0.8692257296225157
Energy: 0.9402435965350198
Energy: 0.9541986370276198
Energy: 0.9539691378217637
Energy: 0.9001365359320526
Energy: 0.954065835784514
Energy: 0.8658660763176608
Energy: 0.9354937536994417
Energy: 0.9196470948103136
Energy: 0.9081615001720598
Energy: 0.8992222836018434
Energy: 0.9542671984402916
Energy: 0.9018483603041422
Energy: 0.938836808593381
Energy: 0.9171913298255556
Energy: 0.8672202808175747
Energy: 0.95087604981789
Energy: 0.9154276455790596
Energy: 0.8660483285422875
Energy: 0.9234643853415608
Energy: 0.9192561966225652
Energy: 0.8842131061584483
Energy: 0.9052608324190303
Energy: 0.9177357259478744
Energy: 0.8975599462000997
Energy: 0.9230207568843195
Energy: 0.8857168467096033
Energy: 0.8834918251171257
Energy: 0.9071068426969064
Energy: 0.8844175887720006
Energy: 0.8974447528320112
Energy: 0.9694677258979034
Energy: 0.867496750139051
Energy: 0.9041311919951942
Energy: 1.0007344548960084
Energy: 0.8683810135323142
Energy: 0.890998368744363
Energy: 0.947292321650235
Energy: 0.8844415129031089
Energy: 0.8833565659869719
Energy: 0.906392240366379
Energy: 0.8845610788541322
Energy: 0.8738436184863154
Energy: 0.947095635495322
Energy: 0.8848060869350618
Energy: 0.876831755544713
Energy: 0.8778307855752179
Energy: 0.8850132150071857
Energy: 0.8810659117589609
Energy: 0.9501981770039116
Energy: 0.8814391592406354
Energy: 0.8754401439305143
Energy: 0.8971288241661673
Energy: 0.904794925460524
Energy: 0.870514505956414
Energy: 0.9937124762927828
Energy: 0.9046639609803484
Energy: 0.8947341986552851
Energy: 0.9100324312052764
Energy: 0.9040613900182174
Energy: 0.8416323202878458

minimum gb energy = 0.8415080516302951 eV
minimum distance =  2.32666659532148 Angstroms
sigma value = 57


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

Energy: 0.42785790956535985
Energy: 0.4906094825053475
Energy: 0.4440191959236327
Energy: 0.43049152040310024
Energy: 0.4903142845175049
Energy: 0.43037202404973823
Energy: 0.54866026759542
Energy: 0.45513982478018683
Energy: 0.4559666395397063
Energy: 0.4874675296986879
Energy: 0.49040391886655166
Energy: 0.4730881157394053
Energy: 0.5527957578989424
Energy: 0.49227327633480833
Energy: 0.504977638213382
Energy: 0.49005614463812397
Energy: 0.4914547245305903
Energy: 0.4563884373217002
Energy: 0.5531244785869501
Energy: 0.49306301042447404
Energy: 0.5029564668580353
Energy: 0.49076206608008266
Energy: 0.5532620481728894
Energy: 0.45593938477246926
Energy: 0.5476358681082878
Energy: 0.4313438031591357
Energy: 0.4664095900056297
Energy: 0.5506883378359099
Energy: 0.4296001548892712
Energy: 0.4564941696263464
Energy: 0.49129933447138086
Energy: 0.42995752140696547
Energy: 0.43130196298103657
Energy: 0.4538071558719068
Energy: 0.4291516423013784
Energy: 0.4635276736193018
Energy: 0.4846587251388024
Energy: 0.45487491395335145
Energy: 0.45563946842121356
Energy: 0.4860600662996125
Energy: 0.4536408911873352
Energy: 0.47567427924608
Energy: 0.49158923295063506
Energy: 0.5039431553673488
Energy: 0.4992571028553745
Energy: 0.49187066033981786
Energy: 0.45538394448198516
Energy: 0.5028721183016727
Energy: 0.5469647682548797
Energy: 0.4931465825483544
Energy: 0.45951066890627806
Energy: 0.49080009120444235
Energy: 0.489626468595944
Energy: 0.4574062733703365
Energy: 0.4286809050468792
Energy: 0.4935461985756861
Energy: 0.4757917841002111
Energy: 0.4289940464035969
Energy: 0.4894367621577711
Energy: 0.4638085505184526
Energy: 0.4287810038163441
Energy: 0.45479434600485763
Energy: 0.45557568441284974
Energy: 0.42911969803837097
Energy: 0.4534050529600972
Energy: 0.4658997079460739
Energy: 0.5502071794774381
Energy: 0.4919800320987152
Energy: 0.4570665116168248
Energy: 0.48849583113657774
Energy: 0.48979237502204526
Energy: 0.4587077496966475
Energy: 0.5530537375089334
Energy: 0.5536133812550051
Energy: 0.550075454817895
Energy: 0.49415887048421003
Energy: 0.5532700897112717
Energy: 0.5501976038281792
Energy: 0.5483235431521037
Energy: 0.4917211598509557
Energy: 0.49853887797275936
Energy: 0.4908356063216566
Energy: 0.4896900395161463
Energy: 0.45581039950614727
Energy: 0.5526941635044768
Energy: 0.4295303508746784
Energy: 0.4299845306032833
Energy: 0.49142748500764016
Energy: 0.43372214356643046
Energy: 0.4310789178099055
Energy: 0.48852462628486226
Energy: 0.4568053032857369
Energy: 0.47583411035093814
Energy: 0.48953445538313417
Energy: 0.4300397952234157
Energy: 0.45633754708094254
Energy: 0.49078823555589146
Energy: 0.5003050397907881
Energy: 0.47596117866512194
Energy: 0.4909623039422095
Energy: 0.4907412642119563
Energy: 0.45885142350936964
Energy: 0.5518025438677994
Energy: 0.5031769872056385
Energy: 0.49823379209451957
Energy: 0.5521839745948747
Energy: 0.4926748499103787
Energy: 0.45702921510437916
Energy: 0.4287414214622517
Energy: 0.4554194515472455
Energy: 0.455817745226262
Energy: 0.42916935595573646
Energy: 0.4938875488914788
Energy: 0.45757248123495914

minimum gb energy = 0.42785790956535985 eV
minimum distance =  2.37128436469448 Angstroms
sigma value = 11


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

Energy: 1.6473603949208317
Energy: 0.9237800768652867
Energy: 0.8809874688484716
Energy: 0.7957601180829362
Energy: 0.9234962963125417
Energy: 0.8833470254809755
Energy: 0.7323108120487044
Energy: 0.7811769276690296
Energy: 0.7636323149231733
Energy: 0.7502901184545203
Energy: 0.7394823576950394
Energy: 0.7369653225668358
Energy: 0.7372774964971394
Energy: 0.7552842868020707
Energy: 0.7446055241652799
Energy: 0.7390552364966565
Energy: 0.7498423770461349
Energy: 0.74506976061511
Energy: 0.7365873763000745
Energy: 0.7671152106911714
Energy: 0.7714694677457375
Energy: 0.7378397924557364
Energy: 0.7383420922399556
Energy: 0.7459130752114135
Energy: 0.7321475642243893
Energy: 0.8493687907029992
Energy: 0.7928392695976529
Energy: 0.7586814660185864
Energy: 0.7660130826418726
Energy: 0.7448629497505689
Energy: 0.7936769029037369
Energy: 0.8178628901229592
Energy: 0.8037697282560966
Energy: 0.7625561354778981
Energy: 0.7569158437203457
Energy: 0.8042782883958797
Energy: 0.7950155349280793
Energy: 0.7476499964680768
Energy: 0.7530435115924925
Energy: 0.7338664861848203
Energy: 0.7516223578596936
Energy: 0.7494541668210205
Energy: 0.7549866222298072
Energy: 0.7599090935782281
Energy: 0.7601016812494364
Energy: 0.7539187408543384
Energy: 0.7580297316620148
Energy: 0.7684540315523314
Energy: 0.7962189587564603
Energy: 0.7595755347697282
Energy: 0.7406361558182827
Energy: 0.78182862352039
Energy: 0.7379624121017814
Energy: 0.750010812969842
Energy: 1.0149351150781487
Energy: 0.7982791662653509
Energy: 0.7883448016141488
Energy: 0.7443299111456577
Energy: 0.7816656549112111
Energy: 0.803897758667419
Energy: 0.844711441160249
Energy: 0.7951238549273296
Energy: 0.788606810044913
Energy: 0.7615418048357432
Energy: 0.8109058719035599
Energy: 0.7934878636235858
Energy: 0.9209886491429835
Energy: 0.7200657975266006
Energy: 0.7380456428982282
Energy: 0.8334680924635491
Energy: 0.7165558326381077
Energy: 0.766898729817006
Energy: 0.8697358001764756
Energy: 0.7099297915587958
Energy: 0.78612268461475
Energy: 0.7629628055735642
Energy: 0.7188995647877253
Energy: 0.759820896469424
Energy: 0.869892078060732
Energy: 0.8515812398606795
Energy: 0.8529214897754663
Energy: 0.7639577069086311
Energy: 0.8023584164128024
Energy: 0.8520438360102784
Energy: 0.8742793902872392
Energy: 0.771135472842881
Energy: 0.7918236812036219
Energy: 0.8018692860442734
Energy: 0.7533275900355315
Energy: 0.8116159502949227
Energy: 1.0927641949776716
Energy: 0.8536671611225006
Energy: 0.8522654313449821
Energy: 0.802525982090047
Energy: 0.8053209799529195
Energy: 0.8535643265094162
Energy: 1.156882947746217
Energy: 0.812212971045373
Energy: 0.767918092765006
Energy: 1.0230836085999269
Energy: 0.8274572850472522
Energy: 0.7342090418166004
Energy: 1.370674372124092
Energy: 0.8060025120047338
Energy: 0.7911297514546631
Energy: 0.7605802975655811
Energy: 0.8025019698887164
Energy: 0.8533169799890623
Energy: 1.1022678601170117
Energy: 0.7686844030036943
Energy: 0.7603888874714699
Energy: 0.7370835275657102
Energy: 0.7611622460989185
Energy: 0.8064432181599773
Energy: 0.9552683531128642
Energy: 0.9056553140320013
Energy: 0.7632408470442787
Energy: 0.9388280884431952
Energy: 0.7645071613453592
Energy: 0.7613512307363548
Energy: 1.0932718496824787
Energy: 0.8192902612977004
Energy: 0.7943737067286823
Energy: 0.8050635362452125
Energy: 0.8498945958554688
Energy: 0.8042305757621342
Energy: 1.0492711484433146
Energy: 0.7360852165324261
Energy: 0.7685234261807837
Energy: 1.112888072142641
Energy: 0.7335970158586518
Energy: 0.8610772984868376
Energy: 0.7362110590547857
Energy: 0.8082680568397134
Energy: 0.7946476642656564
Energy: 0.7376562936435664
Energy: 0.7631901420051486
Energy: 0.802713783963517
Energy: 0.7351960989764854
Energy: 0.7344531065908173
Energy: 0.7450406459375347
Energy: 0.7352287161809758
Energy: 0.7418519980505696
Energy: 0.7461528456332261
Energy: 0.8596997898992165
Energy: 0.7436881799891442
Energy: 0.7461224658106875
Energy: 0.8036108595963408
Energy: 0.7378414654814389
Energy: 0.7609403131966705
Energy: 0.8382985077784803
Energy: 0.7577260864991413
Energy: 0.7420015640438461
Energy: 0.7613106981399611
Energy: 0.7617017102239287
Energy: 0.7139133630954317

minimum gb energy = 0.7099297915587958 eV
minimum distance =  2.33656131351434 Angstroms
sigma value = 41


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

Energy: 1.5773353834154165
Energy: 0.8973675820638108
Energy: 0.8607029096727807
Energy: 0.9364278336312347
Energy: 0.8968067707334445
Energy: 0.9355001334735973
Energy: 0.7995492724463934
Energy: 0.8251190621707859
Energy: 0.824182705338718
Energy: 0.8094065244449046
Energy: 0.8013985967822347
Energy: 0.8047190368123224
Energy: 0.8016029076964785
Energy: 0.8185314384521892
Energy: 0.8041025406640842
Energy: 0.802273419365385
Energy: 0.8025682532203353
Energy: 0.8043662612476313
Energy: 0.8012721095787967
Energy: 0.8253041260429287
Energy: 0.8231120150089042
Energy: 0.8016559503184989
Energy: 0.8042679916329942
Energy: 0.823923041429847
Energy: 0.7996810178407924
Energy: 0.841827351291039
Energy: 0.8396410779487206
Energy: 0.8340811204053268
Energy: 0.8179227922671705
Energy: 0.8221681956242614
Energy: 0.8949484580181564
Energy: 0.8248273028695043
Energy: 0.8402084979129192
Energy: 0.8338022511507136
Energy: 0.8263963243740168
Energy: 0.8365580772779617
Energy: 0.8962542348089448
Energy: 0.8034115765720103
Energy: 0.8240156767854115
Energy: 0.8018458589293891
Energy: 0.8299291646158452
Energy: 0.8231572716259147
Energy: 0.8330048755699831
Energy: 0.8552703276291426
Energy: 0.8568812618615309
Energy: 0.837065113353278
Energy: 0.8542590392033452
Energy: 0.7903218205057813
Energy: 0.8956062332790639
Energy: 0.8233629994731643
Energy: 0.821919972540994
Energy: 0.8421353214673375
Energy: 0.8062606388105857
Energy: 0.8227897938100118
Energy: 1.1483935630184894
Energy: 0.8316555974764637
Energy: 0.822699994994616
Energy: 1.0097896558053387
Energy: 0.8431697367679173
Energy: 0.8236195161338127
Energy: 0.8967999632390304
Energy: 0.835971878674123
Energy: 0.8224488954554086
Energy: 0.8030792238442226
Energy: 0.8375604901614715
Energy: 0.8235600007197601
Energy: 0.9365368335122063
Energy: 0.766900364501215
Energy: 0.7660597800896
Energy: 0.8411166745629104
Energy: 0.7674036538835991
Energy: 0.8230291038867912
Energy: 0.8076692563172718
Energy: 0.7670281202405911
Energy: 0.7652528036714267
Energy: 0.8428141843344469
Energy: 0.7669973400624898
Energy: 0.7684013131280711
Energy: 0.8080571387734339
Energy: 0.8385127301325258
Energy: 0.8234397143770893
Energy: 0.8091235485188718
Energy: 0.8493513959481847
Energy: 0.821444693837641
Energy: 0.8565662887657624
Energy: 0.8221022245835233
Energy: 0.8597686639031124
Energy: 0.856333277391894
Energy: 0.8225058392571514
Energy: 0.8591632888072416
Energy: 0.800048565164207
Energy: 0.8254201233105992
Energy: 0.823016841845531
Energy: 0.8335951723816919
Energy: 0.8024622114643475
Energy: 0.8231081140615949
Energy: 1.4619460336540167
Energy: 0.8300302766293426
Energy: 0.8131190374608341
Energy: 1.2371895777241986
Energy: 0.8358662967846764
Energy: 0.8513425722421394
Energy: 0.8317028040506612
Energy: 0.824941262206927
Energy: 0.8376719905922596
Energy: 0.8428914149751907
Energy: 0.8358294233909086
Energy: 0.8085109684536039
Energy: 0.8033778681893502
Energy: 0.8042445022014804
Energy: 0.8188707779071025
Energy: 0.8046112776014751
Energy: 0.8023509826248801
Energy: 0.8060688284656248
Energy: 0.8012409597477664
Energy: 0.8067124059329169
Energy: 0.8059123040956023
Energy: 0.8017370747404413
Energy: 0.8036373885401146
Energy: 0.8041730673312455
Energy: 0.7996725947799831
Energy: 0.8076857710641451
Energy: 0.8048352217710847
Energy: 0.8003327055100086
Energy: 0.8050402969369181
Energy: 0.8211157660373277
Energy: 0.9018503780258049
Energy: 0.8275440763622444
Energy: 0.8820704822821719
Energy: 0.9016949205513443
Energy: 0.8273698620755181
Energy: 0.8939167979448707
Energy: 0.8957023135808428
Energy: 0.8053365452330751
Energy: 0.8220744285008837
Energy: 0.8007719986650069
Energy: 0.8023845857039713
Energy: 0.821255979192146
Energy: 0.8326862706450056
Energy: 0.8568701513160643
Energy: 0.8132272241568096
Energy: 0.8358787123830235
Energy: 0.8566146866934855
Energy: 0.790956689769028
Energy: 0.8965464977871077
Energy: 0.8037873458488567
Energy: 0.8230223021117538
Energy: 0.8364658208326419
Energy: 0.811146939755504
Energy: 0.8236199380361152
Energy: 0.8971443544420594
Energy: 0.8365715853727196
Energy: 0.8375563905321509
Energy: 0.8024718246664597
Energy: 0.842172486878823
Energy: 0.8403125630262939
Energy: 1.1489443667003971
Energy: 0.8380970675699314
Energy: 0.8223368726673319
Energy: 0.8008625197653463
Energy: 0.8432061886144255
Energy: 0.8230618170873545
Energy: 0.8935318229890601
Energy: 0.824596706396624
Energy: 0.841853748469955
Energy: 0.8425363440584479
Energy: 0.79969297485847
Energy: 0.8407734765593529
Energy: 0.8082137067783988
Energy: 0.8500849341255012
Energy: 0.8564167112220391
Energy: 0.8426611475686894
Energy: 0.8569063632453433
Energy: 0.8509057000425879
Energy: 0.910539015082479
Energy: 0.8338475257816523
Energy: 0.825581882292077
Energy: 0.9106433806628923
Energy: 0.8454851593257927
Energy: 0.8423860743607646
Energy: 0.8076376546021483
Energy: 0.8052870169505959
Energy: 0.8037141981433104
Energy: 0.8077306191591075
Energy: 0.801939906870183
Energy: 0.8161802732869116
Energy: 0.8010820710979081
Energy: 0.8030540237367756
Energy: 0.8249917270901156
Energy: 0.8147141578111656
Energy: 0.8037200565225389
Energy: 0.8063147345589887
Energy: 1.4628014298134175
Energy: 0.833430603299291
Energy: 0.8117291887060754
Energy: 0.7687107358332126
Energy: 0.8235948542639993
Energy: 0.8101307028076712

minimum gb energy = 0.7652528036714267 eV
minimum distance =  2.34590226555138 Angstroms
sigma value = 33


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

Energy: 1.35514539813393
Energy: 1.0425122148494577
Energy: 0.9886544836709008
Energy: 0.8817350379460543
Energy: 1.0430353846342972
Energy: 0.999763370731202
Energy: 0.9969969895247054
Energy: 0.901097737337097
Energy: 0.9303350792147342
Energy: 0.9515544681280741
Energy: 0.8936186368513012
Energy: 0.9280935951849721
Energy: 0.9943559502563442
Energy: 0.9784379777126045
Energy: 0.9020626511143762
Energy: 1.0136928589769572
Energy: 0.8905349612549743
Energy: 0.9813876866281394
Energy: 1.0033460842300954
Energy: 0.9286825984527787
Energy: 0.9937901288410439
Energy: 1.0242961841048372
Energy: 0.9076786417382146
Energy: 0.9083567418307983
Energy: 0.9970774905638597
Energy: 0.9755506485814417
Energy: 0.8930892014960412
Energy: 1.014741135021426
Energy: 0.939282419851433
Energy: 0.8928106991409023
Energy: 1.1129198215524978
Energy: 0.9444830159261507
Energy: 0.937464114669248
Energy: 1.0815715481941883
Energy: 0.9387732067401205
Energy: 0.9367861101764553
Energy: 1.1318892998957668
Energy: 0.8908150214433339
Energy: 0.8886410094194269
Energy: 1.0449725601786573
Energy: 0.9249654402199716
Energy: 1.0288589645593174
Energy: 1.2061867128294248
Energy: 1.0796655635249832
Energy: 0.9711985614604663
Energy: 0.9890028011318004
Energy: 1.0788244149752022
Energy: 0.9677601303733698
Energy: 1.047349245026483
Energy: 0.9687557081506657
Energy: 0.9870431011666505
Energy: 1.0444344466573112
Energy: 0.9693363142109132
Energy: 0.9873795534821026
Energy: 1.142513053915516
Energy: 0.9951984481944508
Energy: 0.9944937940836761
Energy: 0.9819808585008152
Energy: 1.0314780297078394
Energy: 0.9941046970835317
Energy: 1.0499617919713413
Energy: 0.987544179624429
Energy: 0.9842960594574625
Energy: 0.9705121032838993
Energy: 1.0080178360955503
Energy: 0.9816863215057808
Energy: 1.0496106757958037
Energy: 0.939943606575637
Energy: 0.9389444065885524
Energy: 0.9686260771427694
Energy: 0.9590200280467316
Energy: 0.9373939352354935
Energy: 1.0764618321390862
Energy: 0.9384947928501113
Energy: 0.9348771743021679
Energy: 1.0168725321753138
Energy: 0.9037661111953874
Energy: 0.9329142651305451
Energy: 1.0112814798354532
Energy: 0.9883523814172934
Energy: 0.9865581904272431
Energy: 0.9915802641260952
Energy: 0.9964582202571224
Energy: 0.9801408662101603
Energy: 0.9173845053419711
Energy: 0.9904789374482514
Energy: 0.9900243327707763
Energy: 0.9842909498540299
Energy: 0.9897418734861779
Energy: 1.0143530659530862
Energy: 1.0460329370404824
Energy: 1.0360986726238772
Energy: 0.9948132750844976
Energy: 1.0562337786867741
Energy: 1.0296888842043137
Energy: 0.9958321373440832
Energy: 1.6423019088714823
Energy: 1.0350201239156507
Energy: 0.9403118091455964
Energy: 0.986934228473985
Energy: 1.083124149069023
Energy: 0.9431705007442402
Energy: 1.0463105389627239
Energy: 1.0220147103682247
Energy: 1.0009200888500973
Energy: 0.9350783923159659
Energy: 1.0829253555049239
Energy: 1.0031396852888097
Energy: 0.9996426302727003
Energy: 0.9343709178897313
Energy: 0.9342789919152723
Energy: 0.9641113352330275
Energy: 0.9776215178531972
Energy: 1.0355678287714751
Energy: 1.0049641253956134
Energy: 0.930764674230513
Energy: 0.9298023117745443
Energy: 0.9501170744803351
Energy: 0.978718334956534
Energy: 0.9980408881055471
Energy: 0.9902506096318631
Energy: 0.9893242362893598
Energy: 0.9562650806328931
Energy: 0.9910493873454156
Energy: 1.010859732027574
Energy: 1.0223386939966785
Energy: 1.0456339054502424
Energy: 0.9368122369982288
Energy: 0.9370039860859651
Energy: 1.0766300799646238
Energy: 0.9367236311849829
Energy: 0.9490237411129371
Energy: 1.0068604446526361
Energy: 0.9791476655853951
Energy: 0.9602732340989475
Energy: 0.9609029748181426
Energy: 0.9451539980756554
Energy: 0.9827487869498672
Energy: 1.0562891366445224
Energy: 1.1442375963420441
Energy: 1.0036596368952402
Energy: 0.9598147762164747
Energy: 1.1023066236474197
Energy: 0.9621046272351751
Energy: 1.0083357907937347
Energy: 0.9645636980778872
Energy: 0.9601310737887067
Energy: 0.962348911597252
Energy: 0.9444107343839836
Energy: 0.9320683316808182
Energy: 1.0996489214576544
Energy: 0.9380507877794666
Energy: 0.9373769969965532
Energy: 1.0908278771514783
Energy: 0.9378611651536083
Energy: 0.9450480530792862
Energy: 1.0374468561182606
Energy: 0.9677482429669747
Energy: 0.9775683365245236
Energy: 1.0190296002325083
Energy: 0.9512169822276855
Energy: 0.9312335283169209
Energy: 1.033291695848589
Energy: 0.9726997124002977
Energy: 0.9668160163075862
Energy: 1.0347326443746414
Energy: 0.9426990780238962
Energy: 0.9950829015225653
Energy: 1.094492536812197
Energy: 0.9426548439938913
Energy: 0.937274088779894
Energy: 1.0902899676346767
Energy: 1.0226600654924993
Energy: 1.0949144133148103
Energy: 1.1462984239797913
Energy: 0.9759971368254032
Energy: 0.9683193021480448
Energy: 1.0607638236017036
Energy: 0.9777338259306876
Energy: 0.9669235367845701
Energy: 1.2069321325736257
Energy: 1.0482022575745191
Energy: 0.9317038125444678
Energy: 0.9890547936830965
Energy: 1.0440966941895564
Energy: 0.9331811329096573
Energy: 1.1004448428057185
Energy: 0.9738547402924788
Energy: 0.9690794630206088
Energy: 1.057253072910425
Energy: 0.9835926441131021
Energy: 0.9690722485331315
Energy: 1.1326102461305887
Energy: 0.9899705553240763
Energy: 0.9933645605747643
Energy: 1.0013016858269623
Energy: 1.0271763619938121
Energy: 0.9941763829193802
Energy: 1.1320271685153551
Energy: 0.9930077858831977
Energy: 0.9895621621325048
Energy: 0.9997182964170533
Energy: 0.9744443226179833
Energy: 0.9944537552075404
Energy: 1.0542375397392458
Energy: 0.9685277761366049
Energy: 0.9677982925293624
Energy: 0.9858362271770829
Energy: 0.9622723523297335
Energy: 0.9764479248831791
Energy: 1.17694156855594
Energy: 0.9252304701117854
Energy: 0.9233601601515001
Energy: 1.1299768941506985
Energy: 0.9226557505362951
Energy: 0.9131604020983621
Energy: 0.9998625328595486
Energy: 1.0191353179344396
Energy: 0.9816496647876629
Energy: 0.9653060196260302
Energy: 0.9859814845676547
Energy: 0.9775588728693397
Energy: 0.9805786122913851
Energy: 1.0117774044232184
Energy: 1.033241750822943
Energy: 0.9819862510747616
Energy: 1.0669498829646273
Energy: 1.0282442298874406
Energy: 1.0003924782059113
Energy: 1.0286441404545115
Energy: 0.9911001922170292
Energy: 0.9791839082377027
Energy: 1.027570135770829
Energy: 0.9772174451166407
Energy: 1.640910613455781
Energy: 1.0642661931914463
Energy: 1.0430127960477487
Energy: 0.9447923273475073
Energy: 1.0571936354516553
Energy: 0.9624632331143622
Energy: 1.1140622328835919
Energy: 0.9248766951920031
Energy: 0.8672746368091029
Energy: 0.9378692044964302
Energy: 0.9403338846948658
Energy: 0.9901531772018649
Energy: 1.06241150547097
Energy: 0.9838624845678751
Energy: 0.9333907271419711
Energy: 0.9791202881384328
Energy: 0.9877337038589158
Energy: 0.9771256363315878
Energy: 0.9506396481094331
Energy: 0.9306001523686799
Energy: 0.9355580718350434
Energy: 0.8914757469549895
Energy: 0.9739709362903756
Energy: 0.9106841397687426
Energy: 0.9445215834520219
Energy: 0.949026113383453
Energy: 0.9940968325530924
Energy: 0.9640312485550843
Energy: 0.955108141505231
Energy: 0.9011795184602673
Energy: 1.0445443964065264
Energy: 1.0097919600049998
Energy: 0.9325645037312358
Energy: 1.0659678957841667
Energy: 0.9096751151470978
Energy: 1.0043264831561571
Energy: 0.9944625431816057
Energy: 0.9324979243176583
Energy: 0.9280714919280881
Energy: 0.8840125438469425
Energy: 0.8965540439665088
Energy: 0.9312710546999925
Energy: 1.0479270517393369
Energy: 0.979646800818922
Energy: 0.9098762135107986
Energy: 0.8727572906717243
Energy: 1.0857781357802307
Energy: 0.9457562159367894

minimum gb energy = 0.8672746368091029 eV
minimum distance =  2.33489113356643 Angstroms
sigma value = 67


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

Energy: 1.2566861544730445
Energy: 0.9692214831660564
Energy: 0.9174858711915506
Energy: 0.9325170375264292
Energy: 0.9691024419490923
Energy: 0.9173512527809214
Energy: 0.9618302053864684
Energy: 0.9209221835463259
Energy: 0.9195471595346627
Energy: 0.9220586774612937
Energy: 0.9643168841813349
Energy: 0.9190999237078761
Energy: 0.9606216625963164
Energy: 0.8812645377654933
Energy: 0.9235070814300534
Energy: 0.9207751263357956
Energy: 0.8797379388018263
Energy: 0.9234642346642536
Energy: 0.9595611471561115
Energy: 0.9206177091327756
Energy: 0.9220618904207777
Energy: 0.9358629257384699
Energy: 0.9203504148524986
Energy: 0.922063056529193
Energy: 0.9554912214932175
Energy: 0.9219326020680368
Energy: 0.9214079078516499
Energy: 0.9560503046290744
Energy: 0.9217607083098107
Energy: 0.9230062826325092
Energy: 0.9577358542658841
Energy: 0.9222359367424718
Energy: 0.9267858929116831
Energy: 0.9580411420965254
Energy: 0.9212732305627593
Energy: 0.9274914659655296
Energy: 1.0225871277793495
Energy: 0.9205822507154648
Energy: 0.9188254706303198
Energy: 0.8801431969177121
Energy: 0.9640896794523098
Energy: 0.918341028074823

minimum gb energy = 0.8797379388018263 eV
minimum distance =  2.37242010294027 Angstroms
sigma value = 3


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

Energy: 1.6244107095986666
Energy: 1.183578074457674
Energy: 1.0537127656226248
Energy: 1.0236065306832542
Energy: 1.183894604266903
Energy: 1.0445376014857672
Energy: 0.9947700218205915
Energy: 1.0460497306239627
Energy: 1.0168851953112992
Energy: 1.0709650893035583
Energy: 1.076290643228753
Energy: 1.0169578611193413
Energy: 1.0091402017599236
Energy: 0.997107529195118
Energy: 0.9963630240572948
Energy: 1.0095651299862203
Energy: 0.9980223837979406
Energy: 1.0025552258488708
Energy: 1.0000088537808292
Energy: 0.9987697681087894
Energy: 0.9994576185579931
Energy: 1.0013908706041421
Energy: 0.9970998095876992
Energy: 0.999896975495916
Energy: 1.0089434778567323
Energy: 0.995542647540859
Energy: 0.9954359250716248
Energy: 1.0104214551449404
Energy: 1.0070721663701057
Energy: 0.9965268119754879
Energy: 0.9951959921265937
Energy: 0.9949629650027937
Energy: 0.996147829988517
Energy: 0.9959016063049394
Energy: 1.0070036274085157
Energy: 0.9964854714572403
Energy: 0.994826581744317
Energy: 1.0595944200203642
Energy: 1.0629521174029402
Energy: 1.0270773899863512
Energy: 1.0656574623876542
Energy: 1.0603228877461346
Energy: 1.298551240450643
Energy: 1.024274079136899
Energy: 1.0374231595707082
Energy: 1.0015192458668827
Energy: 1.0846464762452765
Energy: 1.044506162331891
Energy: 0.9974388238007758
Energy: 0.997580576068093
Energy: 1.044883492531218
Energy: 1.0318424568736606
Energy: 1.0221689666353748
Energy: 1.0236946201437214
Energy: 0.996002904507628
Energy: 1.0011665142781154
Energy: 1.0008475801428414
Energy: 1.0832313731426335
Energy: 1.0003748307707443
Energy: 1.0387298322583711
Energy: 1.0961257889054532
Energy: 1.0376454020923622
Energy: 1.0386752667684074
Energy: 1.0974990451839788
Energy: 1.0084516427645065
Energy: 1.0719033423185755
Energy: 1.0893860697241111
Energy: 0.9978873390531734
Energy: 0.9970592266018199
Energy: 1.0759919572406986
Energy: 1.0113303749908302
Energy: 0.9962473045267466
Energy: 1.040282695079052
Energy: 0.9963351588787456
Energy: 0.997243081012082
Energy: 1.0619804977266303
Energy: 0.9961836254737017
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Energy: 1.0332564865898115
Energy: 0.9990320203253052
Energy: 0.9977964511044428
Energy: 1.057750646371223
Energy: 0.9983798356005973
Energy: 0.9976978096372743
Energy: 1.0911300688497387
Energy: 1.008141203627932
Energy: 1.0093569452869648
Energy: 1.0029078182279074
Energy: 1.0121715189438207
Energy: 1.006378793559803
Energy: 1.0295874322824226
Energy: 1.0168565092788917
Energy: 0.9958847431995158
Energy: 1.0058740557772299
Energy: 1.0165921771487683
Energy: 0.9967345254473192
Energy: 1.1904243590851467
Energy: 1.0012044064306593
Energy: 1.0010908044400115
Energy: 1.190822434763842
Energy: 1.0002181706814413
Energy: 1.080156242156014
Energy: 1.076022080008187
Energy: 1.0438317743645622
Energy: 1.0383486046375356
Energy: 1.0845283467469735
Energy: 1.0194231630950874
Energy: 1.0265341387198024
Energy: 1.232267303730449
Energy: 1.0016800170666917
Energy: 1.0009840567438444
Energy: 1.0021793612227505
Energy: 1.0008236662762815
Energy: 0.9993732335363626
Energy: 1.1357918322541944
Energy: 1.023848379311169
Energy: 1.002632667845571
Energy: 0.9986576755686755
Energy: 1.0232177815789063
Energy: 1.000875741174818
Energy: 1.018846517006917
Energy: 1.0447613177151724
Energy: 1.032697570404701
Energy: 1.0292442579499477
Energy: 1.019082935526583
Energy: 1.0236294543671844
Energy: 1.019719406565646
Energy: 1.0226694165505397
Energy: 1.0212610088238074
Energy: 1.0321941212240655
Energy: 1.0232554574876789
Energy: 1.0217853673686454
Energy: 1.0214031863782338
Energy: 1.022655980856935
Energy: 1.0272778089080201
Energy: 1.0227666844568493
Energy: 1.0437077447507384
Energy: 1.0392758786332803
Energy: 1.0270897000349488
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Energy: 1.0048608631490001
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Energy: 1.0053980753357
Energy: 1.026880925331498
Energy: 1.0025156515678915
Energy: 0.997086860260227
Energy: 0.9953264398378316
Energy: 1.0269110634184793
Energy: 1.0020013396303586
Energy: 0.9976402270552692
Energy: 1.236854472362534
Energy: 1.0558521325549302
Energy: 1.03152476988749
Energy: 0.9959141936043965
Energy: 1.0846011892222107
Energy: 1.0349727810033382
Energy: 0.9953685384320445
Energy: 1.055139401564019
Energy: 1.1081705231670165
Energy: 1.0319739594696358
Energy: 1.082366358170648
Energy: 1.0358184529129737
Energy: 1.0055928325393366
Energy: 0.9982400073337141
Energy: 0.9959405011687731
Energy: 1.0442094610627695
Energy: 1.0455065727286228
Energy: 0.9981485675841951
Energy: 1.0054341308965742
Energy: 0.9984627998733296
Energy: 0.99774537535396
Energy: 1.0056450099277188
Energy: 1.000357035725146
Energy: 1.0049071514130974
Energy: 0.9969224402756797
Energy: 0.9950088289267636
Energy: 0.9947579640018598
Energy: 0.9987209430400404
Energy: 1.0378822965509058
Energy: 0.9955576704698808
Energy: 0.9963632688902616
Energy: 1.0006578212984707
Energy: 0.99932426770027
Energy: 0.9967673325217169
Energy: 1.000572635308948
Energy: 0.9982750526307687
Energy: 1.0045557902003792
Energy: 1.0608215953315663
Energy: 1.042930769734557
Energy: 1.016496514300788
Energy: 1.0789312579789365
Energy: 0.9973641258189944
Energy: 1.1880979976294672
Energy: 1.0681746774004968
Energy: 1.0502985131690339
Energy: 0.9978464776548891
Energy: 1.0919885385701409
Energy: 1.0002545782441752
Energy: 1.1455399231472765
Energy: 0.9981418563788432
Energy: 0.9978069804296419
Energy: 1.0254216603251667
Energy: 1.0030853427347948
Energy: 0.9966937401492917
Energy: 0.9952705707067292
Energy: 0.9963488640371683
Energy: 0.9961359817577649
Energy: 1.0155457005302921
Energy: 1.0277110329505994
Energy: 0.9963345423772219
Energy: 1.0880689786096591
Energy: 1.000777470382444
Energy: 1.0005534477036595
Energy: 1.0893336465461103
Energy: 1.0000104819781448
Energy: 1.058812336336819
Energy: 1.034672691307682
Energy: 0.9972743391944844
Energy: 0.9966925306696026
Energy: 1.0335407340029665
Energy: 1.0290781945995187
Energy: 1.0404448992999098
Energy: 1.040062292955289
Energy: 0.9993825499396387
Energy: 0.9999131063654217
Energy: 0.9947772072969208
Energy: 0.9990562933560019
Energy: 1.0000809938580475
Energy: 1.044014100648807
Energy: 0.9968732594767306
Energy: 0.9970819286755305
Energy: 1.0424801339119036
Energy: 0.9983820041297932
Energy: 0.9956764397594895
Energy: 1.0918260747070334
Energy: 1.0042064005411673
Energy: 1.004240896573325
Energy: 1.0042549328874617
Energy: 1.0040590850047546
Energy: 1.0032451084000094
Energy: 1.0891077716329456
Energy: 1.0021820633262413
Energy: 0.9991381164512386
Energy: 1.0307243134528281
Energy: 1.060745843427645
Energy: 0.9973584822998182
Energy: 1.1828300589030531
Energy: 1.041825480687155
Energy: 1.0434554571230594
Energy: 1.1838613271144092
Energy: 0.9960659225783122
Energy: 1.0286354392004766
Energy: 1.1458162913521375
Energy: 0.9970768350114325
Energy: 1.0327765933162014
Energy: 1.1699251922296279
Energy: 0.9969778577957468
Energy: 1.0492993750311255
Energy: 1.0262853095785243
Energy: 0.9999995696567372
Energy: 0.9977707359616329
Energy: 1.0043204860327624
Energy: 1.030321344906516
Energy: 0.9978628415328942
Energy: 1.4300877272396466
Energy: 1.0272295053173008
Energy: 1.0865233528376623
Energy: 1.0410863360861022
Energy: 1.028017236080776
Energy: 1.0863532646109435
Energy: 1.0238919687163675
Energy: 1.0336652712995533
Energy: 1.0365564992405456
Energy: 1.0404561567984916
Energy: 1.0240594226533357
Energy: 1.0402428035466706
Energy: 1.0202909902248967
Energy: 1.0213146495919974
Energy: 1.021395362997506
Energy: 1.0313488820044496
Energy: 1.0324638664140204
Energy: 1.021495399738624
Energy: 1.0200343012199804
Energy: 1.025453360221684
Energy: 1.0259188043577643
Energy: 1.0195617784747413
Energy: 1.0305733778894404
Energy: 1.0246267565551546
Energy: 1.0189059974869847
Energy: 0.9973549206793572
Energy: 1.0020732082934558
Energy: 1.020442120910584
Energy: 0.9973667008090203
Energy: 1.0360626977444767
Energy: 1.0061666000004952
Energy: 0.999009644954521
Energy: 0.9984613625037043
Energy: 1.0231720688017738
Energy: 0.9990858458556406
Energy: 1.0017768547756865
Energy: 0.994467365281214
Energy: 0.9949084882289703
Energy: 1.026136440563324
Energy: 1.0472099073934342
Energy: 1.0035671589467348
Energy: 1.0443341361874239

minimum gb energy = 0.994467365281214 eV
minimum distance =  2.32540157520893 Angstroms
sigma value = 81


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

Energy: 1.7465482930652407
Energy: 1.0809899720850666
Energy: 0.9571597125337
Energy: 0.9606916108190859
Energy: 1.0806697984052696
Energy: 1.0232312036248816
Energy: 1.053418624203062
Energy: 0.9735453579260487
Energy: 0.9739241113291878
Energy: 1.0011570091764048
Energy: 0.9945865547542369
Energy: 0.9740186342108975
Energy: 1.055623295772882
Energy: 1.0356104186563946
Energy: 1.0322805879884824
Energy: 0.9858862713299705
Energy: 1.0122926842490874
Energy: 0.9722616091061798
Energy: 1.0555513670118544
Energy: 1.0238746483734504
Energy: 1.0925828235438277
Energy: 1.0602962145990735
Energy: 1.0065418793561398
Energy: 0.9757650496166173
Energy: 1.0569982078981877
Energy: 1.07502448064607
Energy: 1.0857624042041936
Energy: 1.0613786287472053
Energy: 1.0789578296330726
Energy: 1.0781258892541141
Energy: 1.058972271033189
Energy: 1.0805519969942645
Energy: 1.077759203310123
Energy: 0.9750733769966242
Energy: 1.0789154415851367
Energy: 1.0799482238456355
Energy: 1.053132479842648
Energy: 1.0573316359137672
Energy: 1.0894912416976947
Energy: 1.1290165157938985
Energy: 1.0608870110508624
Energy: 1.0809854487792263
Energy: 1.268128225672452
Energy: 1.1748244897220999
Energy: 1.1705792748591863
Energy: 0.9900817426631773
Energy: 1.183408276844003
Energy: 1.0648250105758779
Energy: 1.053664197912831
Energy: 1.0780441421542497
Energy: 1.110102025749412
Energy: 1.0632419622525844
Energy: 1.0822877881866044
Energy: 1.0382412050777265
Energy: 1.1022042657216795
Energy: 0.9430250527830217
Energy: 0.9448633133890779
Energy: 1.0827534124032847
Energy: 0.9432850276759883
Energy: 0.944706218444061
Energy: 1.0670615206574598
Energy: 0.9404374073493019
Energy: 0.9402292492177926
Energy: 1.06621891438444
Energy: 0.9759782066341676
Energy: 1.0634034255901563
Energy: 1.0055807428896715
Energy: 1.0833954857829378
Energy: 1.0819613410336293
Energy: 1.0057125255889008
Energy: 1.0882136515496605
Energy: 1.1295419013622634
Energy: 1.0061802432967477
Energy: 1.0602772055650789
Energy: 1.0607281579329957
Energy: 1.0072717115454213
Energy: 1.0611218095279715
Energy: 1.0346870225041922
Energy: 1.0631352878419467
Energy: 1.0588569080182493
Energy: 1.0764935354447356
Energy: 1.0674970812391997
Energy: 1.0579157444149085
Energy: 1.0776358962950492
Energy: 1.2141073248610639
Energy: 1.1104521924148307
Energy: 1.100930120142971
Energy: 1.073645770035256
Energy: 1.0849589367135808
Energy: 1.0764469422086504
Energy: 1.064653915557713
Energy: 1.0517510150962945
Energy: 1.0785082259721366
Energy: 1.0640128480571034
Energy: 1.080122564434129
Energy: 1.0777017482252889
Energy: 1.2119463849713414
Energy: 1.0070703793724218
Energy: 1.0015407988802978
Energy: 1.2125508898307755
Energy: 1.0090212027176697
Energy: 1.0303260522406648
Energy: 1.0388352507782306
Energy: 1.037409540580657
Energy: 1.121343817566543
Energy: 1.0948888798244112
Energy: 1.0626792359337716
Energy: 1.124804465819358
Energy: 0.9412867479852909
Energy: 1.0625948663863478
Energy: 0.9411088863377055
Energy: 0.9413185287739619
Energy: 1.065758771732964
Energy: 0.9413296070814439
Energy: 1.1376390022156937
Energy: 1.0633045887224717
Energy: 0.9421319914165464
Energy: 0.9406502078576404
Energy: 1.0662492320079209
Energy: 0.9424880813595377
Energy: 1.038661690745244
Energy: 1.03883535701105
Energy: 1.079174484170284
Energy: 1.0938766017769401
Energy: 1.0644641656037723
Energy: 1.0860958487513934
Energy: 1.0605106705343768
Energy: 1.0011858501534818
Energy: 1.0018042991406502
Energy: 1.0605750092099284
Energy: 1.03526901646778
Energy: 1.0454364534287681
Energy: 1.0570735447075092
Energy: 1.0503542054094313
Energy: 1.0770396309038348
Energy: 1.057747661859831
Energy: 1.0512215528948095
Energy: 1.077804506959155
Energy: 1.0643047575290514
Energy: 1.0713865060329766
Energy: 1.0716543799506753
Energy: 1.0816704112840976
Energy: 1.0889211744305034
Energy: 1.0716283193061622
Energy: 1.0628859482855777
Energy: 1.0893673218856974
Energy: 1.077469704285992
Energy: 1.069080316184195
Energy: 1.0609799475508557
Energy: 1.0777208015853634
Energy: 1.1620082926635256
Energy: 1.1521818397682964
Energy: 1.1523003145386768
Energy: 1.0489628752910236
Energy: 1.1664815743221155
Energy: 1.151260694454944
Energy: 1.0193443333692145
Energy: 1.1721636819578547
Energy: 1.1715219072560876
Energy: 1.0474645177734625
Energy: 1.174681997568851
Energy: 1.1194460537068773
Energy: 1.0654813097682525
Energy: 0.9402225651222773
Energy: 1.06297281953345
Energy: 1.0648092301772425
Energy: 1.019474989642126
Energy: 1.0629023778891804
Energy: 1.0637790276903145
Energy: 0.9438631351857544
Energy: 0.9459025897298948
Energy: 1.0477269748104077
Energy: 0.9438020647338586
Energy: 0.94575525239465
Energy: 1.0588941433848122
Energy: 1.0775783252607882
Energy: 1.1113276628391315
Energy: 1.0627448430898192
Energy: 1.081242673963092
Energy: 1.0544518694599048
Energy: 1.0071775367946856
Energy: 1.0949105086059567
Energy: 1.0752577823010683
Energy: 1.0113007686402462
Energy: 1.1058637603067012
Energy: 1.0331617517396487
Energy: 1.0597975491345657
Energy: 1.0525172943188892
Energy: 0.9854199172492111
Energy: 1.0743940474255755
Energy: 1.0531992247224664
Energy: 1.0677920608341962
Energy: 1.2103330548356128
Energy: 1.0495692823316392
Energy: 1.0489428234345943
Energy: 0.9721504469298006
Energy: 1.0610478207902525
Energy: 1.0509345117213456
Energy: 1.062393813638935
Energy: 0.9748981641633292
Energy: 1.0859266886267605
Energy: 1.106844318388184
Energy: 1.0547784311612558
Energy: 1.0789039315896514
Energy: 1.0617286622659339
Energy: 1.0279428832116266
Energy: 1.0948247882390807
Energy: 1.0669934123250575
Energy: 1.0494137580660587
Energy: 1.0104203501870026
Energy: 1.2201403162328786
Energy: 1.0107316800964687
Energy: 1.0069438409457128
Energy: 1.1324273120631663
Energy: 0.9930650260190558
Energy: 1.067927319479198
Energy: 1.0547886279169105
Energy: 0.9738394880579377
Energy: 0.9747952889046945
Energy: 1.0007461172532743
Energy: 0.9928639088425364
Energy: 1.0072355929573484
Energy: 1.3529181895934568
Energy: 1.0048319454674843
Energy: 0.962624723137014
Energy: 0.9442508045646835
Energy: 1.0033269436888124
Energy: 1.0245747490249202

minimum gb energy = 0.9402225651222773 eV
minimum distance =  2.34541706501534 Angstroms
sigma value = 43


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

Energy: 1.7752097309137453
Energy: 1.2019594966537885
Energy: 1.0863686882646832
Energy: 1.0223327853500197
Energy: 1.2014715203995638
Energy: 1.016096275321198
Energy: 0.9905625001752361
Energy: 0.9968063130062708
Energy: 0.9808591033532343
Energy: 1.044014543138781
Energy: 0.9926623503833639
Energy: 0.9895678786694294
Energy: 0.9978935127799202
Energy: 0.9725543307603112
Energy: 0.9725981825618768
Energy: 1.0406763034953384
Energy: 0.9725249585810946
Energy: 0.9916684429710851
Energy: 0.9896652608893783
Energy: 0.9728494314885069
Energy: 0.9899348317125641
Energy: 0.9900460809184753
Energy: 1.0400376493046937
Energy: 0.9900793491590374
Energy: 0.9907546715071348
Energy: 0.9910680783835893
Energy: 1.0235202130133212
Energy: 0.9913359726536057
Energy: 1.0175694476492727
Energy: 1.0305547950213887
Energy: 0.9915675390652985
Energy: 1.0188640681604082
Energy: 1.0349398278417377
Energy: 1.0166959449464414
Energy: 0.9922943731511475
Energy: 1.0309653244601305
Energy: 0.9916398875735699
Energy: 0.9906868956834746
Energy: 0.9905468049100092
Energy: 0.9915520989137757
Energy: 0.9909086671279843
Energy: 0.9914971750597249
Energy: 1.12357995793406
Energy: 0.9952989750685748
Energy: 0.9948470880381478
Energy: 0.9770940787277183
Energy: 0.996046349265724
Energy: 0.9911028889307606
Energy: 0.9889455852103842
Energy: 0.9908254738514691
Energy: 0.9910321269342012
Energy: 0.9894448298460887
Energy: 0.9908728267081078
Energy: 0.9904178276970124
Energy: 1.2043518959852766
Energy: 0.9910928742671566
Energy: 0.9910333596252506
Energy: 1.2041531683986304
Energy: 0.9916084728812531
Energy: 0.9914567023438178
Energy: 0.9775223709986224
Energy: 0.9784368860782223
Energy: 1.021686002900624
Energy: 0.9896287957895377
Energy: 1.004346401297558
Energy: 0.9824858206244601
Energy: 1.0084778048262708
Energy: 0.9909123122272389
Energy: 0.9901265128926221
Energy: 0.9888185418124892
Energy: 0.9911555771904351
Energy: 0.990093494825717
Energy: 1.1580213252973492
Energy: 0.9920629320318729
Energy: 1.0061480404657168
Energy: 0.9731778837520405
Energy: 1.0548969228740817
Energy: 1.0060497191763258
Energy: 0.9778529981956579
Energy: 0.9909131869622041
Energy: 1.0369615005223956
Energy: 0.9898703934286337
Energy: 0.9909693452218008
Energy: 0.9805336999429688
Energy: 0.9782213883714808
Energy: 0.9898436253025511
Energy: 0.9876742955924124
Energy: 0.9780194241239182
Energy: 0.9959874842536941
Energy: 0.9876441273585268
Energy: 0.97859828877277
Energy: 1.0459155882801026
Energy: 0.9783937237147792
Energy: 0.9769125116818733
Energy: 0.9904561524304283
Energy: 0.9774095436241543
Energy: 0.9832756624098851
Energy: 0.9798310365825184
Energy: 0.9800119094763537
Energy: 0.9832512438863468
Energy: 0.9889205200077584
Energy: 0.9803218137626961
Energy: 0.9810542216184212
Energy: 0.9781910085998327
Energy: 0.9782535007741956
Energy: 1.025783099562589
Energy: 0.9795834697936551
Energy: 0.9779008430250082
Energy: 0.9911123460254677
Energy: 0.9793126440158886
Energy: 0.9789899316882669
Energy: 1.004959607206843
Energy: 0.9792323007159422
Energy: 0.9898891398075417
Energy: 0.9904518626947664
Energy: 0.9793947888308434
Energy: 0.9790255911598844
Energy: 0.9932896637773505
Energy: 0.9791049660095859
Energy: 0.9899933006362084
Energy: 0.9810847016815227
Energy: 0.9996107214381265
Energy: 1.0350837061248803
Energy: 1.0262524388562666
Energy: 1.0102270464249326
Energy: 0.9784718654590298
Energy: 1.1290224551362578
Energy: 1.00866430591658
Energy: 1.0094430186015284
Energy: 1.1293527426334748
Energy: 0.9746756578842244
Energy: 1.1304885060737675
Energy: 1.028491746852273
Energy: 0.9785502093715084
Energy: 0.9795124367310472
Energy: 1.0031683488788232
Energy: 1.0066758883041453
Energy: 0.9954567813338148
Energy: 1.0834936330667944
Energy: 0.9809262921978679
Energy: 0.9803723016795605
Energy: 0.9814082913356258
Energy: 0.9794372251926068
Energy: 0.9794056217528654
Energy: 1.029922395806808
Energy: 0.9774186486014051
Energy: 0.9775649009478947
Energy: 1.002598040461447
Energy: 0.9774562431962603
Energy: 0.9772472290390427
Energy: 1.0437674374921238
Energy: 0.9777574405296847
Energy: 0.9896814226037862
Energy: 1.0367053022248682
Energy: 0.977628383074669
Energy: 0.9905139341269626
Energy: 1.0439535793581414
Energy: 0.9772916444136844
Energy: 0.9776970393151004
Energy: 0.990581997859776
Energy: 0.9967008844800656
Energy: 0.9898416803586163
Energy: 1.0502953762832485
Energy: 0.9940654312798561
Energy: 1.005489212103298
Energy: 0.9909916128467284
Energy: 1.0041832148219225
Energy: 0.9903477477378668
Energy: 1.0034879335840745
Energy: 0.9903400256110269
Energy: 0.9909188441806491
Energy: 1.0035621669593793
Energy: 0.976406715708778
Energy: 0.9924215637481154
Energy: 0.9899089192663109
Energy: 0.9970981086638746
Energy: 0.9817460870782634
Energy: 1.0453777101978858
Energy: 0.9898638672213828
Energy: 0.9905760757526134
Energy: 1.132654031939343
Energy: 1.0633025281307358
Energy: 1.0421163488490097
Energy: 1.00685200504139
Energy: 1.1432152916220488
Energy: 1.0416073184490866

minimum gb energy = 0.9725249585810946 eV
minimum distance =  2.30731396656987 Angstroms
sigma value = 57


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

Energy: 1.1892115729551422
Energy: 1.186103702502881
Energy: 1.0222341906495909
Energy: 0.9784302372739604
Energy: 1.1859237171315193
Energy: 1.0225879824008475
Energy: 0.9809234773958965
Energy: 0.9851040870468344
Energy: 0.9830483066606494
Energy: 0.9974473255666514
Energy: 0.9983271375684164
Energy: 0.9748529681321187
Energy: 0.9893098849945908
Energy: 0.9377990148129658
Energy: 0.9381822093284128
Energy: 0.9986870678826288
Energy: 0.9248071408757056
Energy: 0.923149166321365
Energy: 0.9813113758395423
Energy: 0.9221094758459633
Energy: 0.9241263996736098
Energy: 0.9815312216542852
Energy: 0.9237600905249322
Energy: 0.982463714161182
Energy: 0.9834608672782924
Energy: 0.9773392034399818
Energy: 0.9805801113998593
Energy: 0.9841009032733954
Energy: 0.9636824106404386
Energy: 0.978875538030266
Energy: 0.9509196071086278
Energy: 0.9662182986232445
Energy: 0.963923845035888
Energy: 0.9816991470749115
Energy: 0.9774175578757726
Energy: 0.964587018626934
Energy: 0.9980794736340952
Energy: 0.9814376956999691
Energy: 0.9818936950742435
Energy: 0.9980165336274676
Energy: 0.9826174788963209
Energy: 0.9787499061360584
Energy: 0.9799537616248155
Energy: 0.9790608437095598
Energy: 0.9753275565994113
Energy: 0.9717103958394562
Energy: 0.9791861638453191
Energy: 0.9784654654282188
Energy: 0.9973933485889557
Energy: 0.9838586718541085
Energy: 0.9846160273633148
Energy: 0.9968008392674005
Energy: 0.9847290796641637
Energy: 0.9745813804080349
Energy: 1.091573800277182
Energy: 0.9747488868015471
Energy: 0.9741661270814278
Energy: 1.0912799325007165
Energy: 0.9787766649604692
Energy: 0.9786269753074254
Energy: 0.9908339631805428
Energy: 0.9733659295510724
Energy: 0.9782267957082225
Energy: 0.9994903304751012
Energy: 0.9823790181563337
Energy: 0.9824032353706948
Energy: 0.9227698276203233
Energy: 0.9830314537141582
Energy: 0.9820079610689408
Energy: 0.9259151870197123
Energy: 1.0006666185086144
Energy: 1.026586339545374
Energy: 0.9220962156540179
Energy: 0.9861097404868309
Energy: 1.0260823917524058
Energy: 0.9542330916791539
Energy: 0.9993856399108377
Energy: 1.0258093261738597
Energy: 0.9853227523673737
Energy: 0.9869101796012356
Energy: 0.975231190505256
Energy: 0.9966015342521347
Energy: 0.9973416551218846
Energy: 0.9833500772702523
Energy: 0.9932797079264206
Energy: 0.925030473030462
Energy: 0.9295030898715796
Energy: 0.9939067699101577
Energy: 0.9242586629755102
Energy: 0.9288195476142748
Energy: 0.9828727713059043
Energy: 0.9760053967303516
Energy: 0.97591314326387
Energy: 0.9835477181786786
Energy: 1.016068640341684
Energy: 0.9789161585344612
Energy: 0.9833072655713067
Energy: 0.9683691544690143
Energy: 0.9774000735844559
Energy: 0.9649415849156332
Energy: 0.964831991841692
Energy: 0.9780580285151629
Energy: 0.9842304064355286
Energy: 0.976366681672154
Energy: 0.9638474781069298
Energy: 0.9669031420393671
Energy: 0.9843356867964916
Energy: 0.9746071901408958
Energy: 0.998694802382758
Energy: 0.9829603624636575
Energy: 0.9834663060547143
Energy: 0.9773761629870557
Energy: 0.9818737430725404
Energy: 0.9934208015058082
Energy: 0.9981530756179114
Energy: 0.9835833652366874
Energy: 0.9998329237778051
Energy: 0.9779038755771251
Energy: 0.9837153515164834
Energy: 0.9912456614547408
Energy: 0.9969331183905237
Energy: 1.0066479481297772
Energy: 0.9668206900938446
Energy: 0.9978247130245971
Energy: 0.9866899205254572
Energy: 0.978217155767319
Energy: 1.0851761955333297
Energy: 0.9741949460601921
Energy: 0.9896885009379126
Energy: 1.085741565086783
Energy: 0.973798328033779
Energy: 0.9773929131958959
Energy: 0.9854527109690003
Energy: 0.9855398251816782
Energy: 0.9838608554906901
Energy: 0.9976239998267208
Energy: 0.9974638927081808
Energy: 0.9778640410848416
Energy: 0.9222360845683838
Energy: 0.985516033216635
Energy: 1.0261384367489657
Energy: 0.9532980674602588
Energy: 0.9980546133325693
Energy: 1.0258148806118896

minimum gb energy = 0.9220962156540179 eV
minimum distance =  2.32055453677719 Angstroms
sigma value = 17


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

Energy: 1.5552161862441158
Energy: 1.0124823918338026
Energy: 1.084003254992089
Energy: 0.9524525274771847
Energy: 1.0100582729670773
Energy: 0.934861017008537
Energy: 1.1393727685516546
Energy: 1.0375754058328073
Energy: 1.0360541849327254
Energy: 1.062456642458148
Energy: 1.0373733773304066
Energy: 0.9822571686021927
Energy: 1.027310921149528
Energy: 0.9499505554210009
Energy: 0.9299029582946716
Energy: 1.0194777324907158
Energy: 0.9301378348528259
Energy: 0.92968017363178
Energy: 1.0245107994940363
Energy: 0.9297553509604012
Energy: 0.9294622414755179
Energy: 1.0248099510867583
Energy: 0.9494628999427596
Energy: 1.020122185809889
Energy: 0.9144447780461613
Energy: 0.939102439481873
Energy: 0.9481015736101142
Energy: 0.9153563579658271
Energy: 0.9418992737804741
Energy: 0.9475024474664285
Energy: 0.9791250723359406
Energy: 0.9021017333207064
Energy: 0.9469849749728289
Energy: 0.9370936677036621
Energy: 0.9102214779599891
Energy: 0.9418471061019917
Energy: 0.9013258746547892
Energy: 0.9000072131930995
Energy: 0.9001786072237771
Energy: 0.9016562995444131
Energy: 0.9012147248705977
Energy: 0.9195244743977226
Energy: 0.9456548615677016
Energy: 0.938281618248575
Energy: 0.9379523133368917
Energy: 0.9371899447573032
Energy: 0.9364677464521441
Energy: 0.9375572105795164
Energy: 0.9033637118947192
Energy: 0.9339198193074303
Energy: 0.9353406709758494
Energy: 0.9053342820653578
Energy: 0.9385846350743734
Energy: 0.9013888371547302
Energy: 0.907114861164129
Energy: 0.9448654259037425
Energy: 0.9539459234061098
Energy: 0.9069836966536948
Energy: 0.9462196361975639
Energy: 0.9469597431228745
Energy: 0.9149520018878614
Energy: 0.9407570920384312
Energy: 0.9410835532827453
Energy: 0.9413132334607004
Energy: 1.0368820307850377
Energy: 0.9406319236424796
Energy: 0.9163968991497178
Energy: 1.0343723025952567
Energy: 1.0329377267722424
Energy: 1.0318408714730947
Energy: 1.0349299403370464
Energy: 1.0211199291549276
Energy: 1.0311874096681648
Energy: 1.0187350491008011
Energy: 1.0338064301635772
Energy: 0.9419691188449519
Energy: 1.0186632743817936
Energy: 1.0345169797030507
Energy: 1.0469098448358307
Energy: 1.0374492947905043
Energy: 1.0376868955120118
Energy: 1.0491693365619559
Energy: 1.0384966742379647
Energy: 0.9728695120552157
Energy: 1.0071552293338237
Energy: 1.0370354580057535
Energy: 1.0497308365833096
Energy: 1.0204850916001562
Energy: 1.0378834970613515
Energy: 1.0358130771577518
Energy: 1.0140499453197331
Energy: 1.0628415357356402
Energy: 0.9827225995800524
Energy: 1.041480753804446
Energy: 1.0491954299034636
Energy: 1.0349716317372202
Energy: 1.0188497998193515
Energy: 1.0201715646833152
Energy: 1.087501467640152
Energy: 0.9293633649756965
Energy: 1.0097130296969712
Energy: 1.0874396055987015

minimum gb energy = 0.9000072131930995 eV
minimum distance =  2.31148965482582 Angstroms
sigma value = 17


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

Energy: 1.641605760399822
Energy: 1.0388396402060316
Energy: 0.9768165905946411
Energy: 0.926791331089462
Energy: 1.038653388330922
Energy: 0.9765790581994976
Energy: 1.1019201230944558
Energy: 1.0230280669033898
Energy: 0.9040265020752561
Energy: 1.0218354268076395
Energy: 1.0251787549666813
Energy: 0.9499154318391629
Energy: 1.2181304779891962
Energy: 0.8399379756582152
Energy: 0.925324056031181
Energy: 1.023220050188215
Energy: 0.8397734102607762
Energy: 0.9278187374456403
Energy: 1.027503531574137
Energy: 0.9273062086187901
Energy: 0.9272780032920143
Energy: 1.0290610057684086
Energy: 0.8443302234712495
Energy: 0.9259531696379194
Energy: 0.8946553611520962
Energy: 0.9235951468369566
Energy: 0.9070264645656635
Energy: 0.8954187189856909
Energy: 0.8825077254823304
Energy: 0.9050570409870091
Energy: 0.9291961267412401
Energy: 0.8809456164201328
Energy: 0.8451336302344342
Energy: 0.843232718130858
Energy: 0.881149730187942
Energy: 0.8448965157383901
Energy: 0.819793975342703
Energy: 0.8816115138279009
Energy: 0.8807942842154418
Energy: 0.8264121636097488
Energy: 0.8849739076094377
Energy: 0.8726170070934025
Energy: 0.8203591104555051
Energy: 0.8536582637609336
Energy: 0.8623537329669401
Energy: 0.8600694770774612
Energy: 0.8532645633876338
Energy: 0.8621689346409109
Energy: 0.8211618207829413
Energy: 0.850961372148599
Energy: 0.8208008154703583
Energy: 0.822751470023023
Energy: 0.8458700627099881
Energy: 0.820908367229622
Energy: 0.8199221837418088
Energy: 0.8589190084038717
Energy: 0.8593316010947641
Energy: 0.8200068949283797
Energy: 0.8582627611677338
Energy: 0.8592495080419211
Energy: 0.8205510516183466
Energy: 0.8204565287302185
Energy: 0.8576496792659256
Energy: 0.8574906038200006
Energy: 0.8204891625237171
Energy: 0.8577220428808543
Energy: 0.8241268945926136
Energy: 0.821298515545396
Energy: 0.8207023945211633
Energy: 0.8255448270716197
Energy: 0.8264580108186007
Energy: 0.8521094482118827
Energy: 0.8381854743636659
Energy: 0.8545231904491942
Energy: 0.8687474361710239
Energy: 0.8641806419453121
Energy: 0.8547730931357453
Energy: 0.8627193133192883
Energy: 0.8825367063424772
Energy: 0.8618127486810057
Energy: 0.8688204176443172
Energy: 0.8834012541202365
Energy: 0.8660159149764801
Energy: 0.8809947109280757
Energy: 0.880665711888694
Energy: 0.8759086054242904
Energy: 0.8744113225782376
Energy: 0.8806616576345545
Energy: 0.8742171308172162
Energy: 0.9034489454146503
Energy: 1.015979248849733
Energy: 0.9333770082495564
Energy: 0.9068603382384097
Energy: 0.8917289588724601
Energy: 0.8962276793996706
Energy: 0.9056256740634043
Energy: 0.8203055532073332
Energy: 1.024778045959861
Energy: 1.0248498336435778
Energy: 0.8236272028742609
Energy: 1.0250170876590112
Energy: 0.8803502221095338
Energy: 0.8983146771134771
Energy: 1.0240372192806149
Energy: 1.0223706524656404
Energy: 0.8978442681471569
Energy: 1.0231111913231945
Energy: 0.9047111805609123
Energy: 1.1319270440259548
Energy: 1.023843877914532
Energy: 0.9618609479285365
Energy: 1.0225211638353653
Energy: 0.909601010638441
Energy: 0.9058717958018088
Energy: 1.2346862727642567
Energy: 0.8993142100927785
Energy: 0.8986610552904564
Energy: 1.0109436360362671
Energy: 0.8989823726149484
Energy: 1.0105198596632095
Energy: 1.200768467595568
Energy: 1.0231727429325397
Energy: 0.9938907703030869
Energy: 1.025578731433462
Energy: 1.0257634448462891
Energy: 1.02205970293881
Energy: 0.8337127456768337
Energy: 1.0322336642599663
Energy: 1.1181020758595561
Energy: 0.9262319367078302
Energy: 1.029343028290149
Energy: 0.9269975256954451
Energy: 0.837855903840548
Energy: 1.0249652354360708
Energy: 1.02301265967786
Energy: 0.8402946847446444
Energy: 1.028263496455313
Energy: 1.1151939034054237
Energy: 1.1965295318341846
Energy: 0.9252114621451876
Energy: 1.0221882719009283
Energy: 1.025494206809598
Energy: 0.8329241995000506
Energy: 0.9919319243680316
Energy: 1.0243524170831848
Energy: 0.8419549242221646
Energy: 0.9261497851821571
Energy: 1.023976937189478
Energy: 0.8407381546979404
Energy: 0.9291744898431219
Energy: 0.8973118404418846
Energy: 0.914590265159745
Energy: 0.9082574914192602
Energy: 0.8981379083455423
Energy: 0.8832744356077705
Energy: 0.9074138338686746
Energy: 0.9289597034738092
Energy: 0.9133043724695457
Energy: 0.9126990275172366
Energy: 0.8755696919705102
Energy: 0.9122663192136053
Energy: 0.8433653391723487
Energy: 0.8115765135614142
Energy: 0.8815259979393629
Energy: 0.8814150737140699
Energy: 0.8069392962120598
Energy: 0.8835575358706336
Energy: 0.8812605953922443
Energy: 0.8216669423097941
Energy: 0.8659708622368761
Energy: 0.8667831452225958
Energy: 0.8511037421565534
Energy: 0.8813907889013285
Energy: 0.8668209511328427
Energy: 0.8206654544354676
Energy: 0.8535213437606645
Energy: 0.863672056896528
Energy: 0.820767424255645
Energy: 0.8533902335856092
Energy: 0.8622152696723121
Energy: 0.8266708759224346
Energy: 0.8574330383761015
Energy: 0.8557399290715513
Energy: 0.827883391184926
Energy: 0.8560130693076561
Energy: 0.8428019276898345
Energy: 0.8202894914416636
Energy: 0.8559908365010762
Energy: 0.8575848262198629
Energy: 0.8570384589521841
Energy: 0.8611836477480451
Energy: 0.8580647607860006
Energy: 0.8334869519225538
Energy: 0.8208412107764068
Energy: 0.8212293622971075
Energy: 0.8339333274557826
Energy: 0.8215027549246382
Energy: 0.8208236008906499
Energy: 0.900065417954951
Energy: 0.8743328476695191
Energy: 0.866147473354806
Energy: 0.8647347822360156
Energy: 0.8518549638533923
Energy: 0.8661351196631673
Energy: 0.8902458264147499
Energy: 0.8735511968767073
Energy: 0.8645581920428944
Energy: 0.8810231722832343
Energy: 0.8515227887232912
Energy: 0.8647089507694656
Energy: 0.8814991035673063
Energy: 0.865483441682798
Energy: 0.9063473100242878
Energy: 0.8816076679639351
Energy: 0.8650424081539397
Energy: 0.8811416077856481
Energy: 1.1274508603825306
Energy: 0.9028564187716126
Energy: 0.9033408809096817
Energy: 0.8842460686093387
Energy: 0.8976911522001235
Energy: 0.9065649530306197
Energy: 0.8297373441857054
Energy: 1.0225222467622048
Energy: 1.0238277997163532
Energy: 0.8816797150637958
Energy: 1.0251560862932072
Energy: 0.90627086256016
Energy: 0.8806458633311421
Energy: 1.0139345572712972
Energy: 0.9122585551356519
Energy: 0.8825190731553033
Energy: 1.0258727216965118
Energy: 0.9116342025332225
Energy: 0.881813970073128
Energy: 1.022076825847313
Energy: 1.024261556331321
Energy: 0.8962380829672199
Energy: 1.027677117071797
Energy: 0.9583628301941397
Energy: 1.1410646864998073
Energy: 0.8852250808968106
Energy: 1.0113218514551414
Energy: 1.0264285601896472
Energy: 0.8855238852043847
Energy: 1.009465508958983
Energy: 1.195133541571809
Energy: 0.9603053057639559
Energy: 0.9047019266904832
Energy: 1.0268846941414478
Energy: 0.9169997810213735
Energy: 0.9992418918961571
Energy: 0.8399089967630111
Energy: 1.0250987900314403
Energy: 1.0223143934561614
Energy: 0.8419604305529141
Energy: 1.0277452519574883
Energy: 1.001518468582136

minimum gb energy = 0.8069392962120598 eV
minimum distance =  2.30979082318417 Angstroms
sigma value = 57


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

Energy: 0.7674289250266219
Energy: 1.2739053188850047
Energy: 0.9390196773150798
Energy: 0.8346152239049291
Energy: 1.3112452058976563
Energy: 0.9217751328575547
Energy: 1.0571636604243473
Energy: 0.8717256004576928
Energy: 0.8694470601396197
Energy: 0.9642173722176418
Energy: 0.870602679239359
Energy: 0.9256395981800686
Energy: 1.150315423437008
Energy: 0.8251107957120973
Energy: 0.8270645330125503
Energy: 1.0004872041828894
Energy: 0.8249084273194036
Energy: 0.9007635651933568
Energy: 0.9791175719441771
Energy: 0.8252306162719835
Energy: 0.9010377225944948
Energy: 0.8647721175029608
Energy: 0.8303088728231416
Energy: 0.9054455447186847
Energy: 0.8493510332054385
Energy: 0.8665954369305914
Energy: 0.8539846367539857
Energy: 0.8501105025849308
Energy: 0.8627850367056856
Energy: 0.8531703359896063
Energy: 0.8241649450073487
Energy: 0.8599852905801764
Energy: 0.8232615904551116
Energy: 0.8057316815919886
Energy: 0.8600159522165383
Energy: 0.8249360389255559
Energy: 0.7880384658788878
Energy: 0.8682435543448285
Energy: 0.859629726657135
Energy: 0.8012278754805067
Energy: 0.8666716623605921
Energy: 0.8133647751565513
Energy: 1.0309584274547026
Energy: 0.7927550868198712
Energy: 0.7931109861330002
Energy: 0.7921654341998076
Energy: 0.7926540668731469
Energy: 0.809057244216952
Energy: 0.7914031359964673
Energy: 0.809050057300749
Energy: 0.7882596806574804
Energy: 0.7936121423472223
Energy: 0.7966285704197289
Energy: 0.7883719520626343
Energy: 0.7877848051966432
Energy: 0.7954659858878138
Energy: 0.7927763052895157
Energy: 0.7877198534470474
Energy: 0.795551050732979
Energy: 0.793154099439568
Energy: 0.7814363518403182
Energy: 0.7555699716403219
Energy: 0.7879367648684164
Energy: 0.7945078336776095
Energy: 0.7566732319438086
Energy: 0.7880609505580375
Energy: 0.793311227700759
Energy: 0.7660238300751052
Energy: 0.7557671096823096
Energy: 0.7941350349898935
Energy: 0.7624675235803842
Energy: 0.7859708827642812
Energy: 0.7548188482826751
Energy: 0.8249577192933211
Energy: 0.7955612858734578
Energy: 0.793321459072307
Energy: 0.7983502773416762
Energy: 0.7954966837797582
Energy: 0.7563178817671964
Energy: 0.7901905981257166
Energy: 0.7565401741320911
Energy: 0.7584532721558831
Energy: 0.7925970258541316
Energy: 0.7562709408093987
Energy: 0.7556183930199785
Energy: 0.7904789678609597
Energy: 0.7888730014180673
Energy: 0.7556701521450708
Energy: 0.7957046589151989
Energy: 0.7883165486317817
Energy: 0.8075597281809179
Energy: 0.7880256596385726
Energy: 0.7948247081562142
Energy: 0.7938478028627581
Energy: 0.8011532848244141
Energy: 0.7941478096116179
Energy: 0.8297644793871513
Energy: 0.7883381558188527
Energy: 0.7878786494978778
Energy: 0.7940687185001241
Energy: 0.7970825704858518
Energy: 0.8124825833711516
Energy: 0.7603504510993411
Energy: 0.8135920535709977
Energy: 0.8218759043314995
Energy: 0.7608475229349113
Energy: 0.8128655566889791
Energy: 0.8170516118792498
Energy: 0.8595307134444312
Energy: 0.8154585194546551
Energy: 0.8405691065712735
Energy: 0.8615345653111403
Energy: 0.8043982835973166
Energy: 0.8600534447263344
Energy: 0.9744037095814582
Energy: 0.828581947329864
Energy: 0.828327323903349
Energy: 0.8580637449222861
Energy: 0.8242785869307018
Energy: 0.8544236301675265
Energy: 1.0790260611852212
Energy: 0.8737668722323589
Energy: 0.8724655075771605
Energy: 0.8614018864927295
Energy: 0.863769030869053
Energy: 0.8720646766964949
Energy: 0.7562008341272829
Energy: 0.9916624127772151
Energy: 0.8594793424132073
Energy: 0.8115137153918281
Energy: 1.003433170751059
Energy: 0.872080759601647
Energy: 0.7932271007720578
Energy: 0.9994519364882634
Energy: 0.9428725139079653
Energy: 0.7948848920139452
Energy: 0.9973874021676568
Energy: 0.9417314866648444
Energy: 1.070863514110198
Energy: 0.8602515849510222
Energy: 0.8535757796030257
Energy: 0.8663115614774357
Energy: 0.8517928081659237
Energy: 0.8728842265148339
Energy: 1.1618397543405834
Energy: 0.8476652802592928
Energy: 0.8557191232199868
Energy: 0.9925661760832308
Energy: 0.8519417308152099
Energy: 0.9527390633290277
Energy: 1.1412621384444739
Energy: 0.9677946440947977
Energy: 0.9509630041044302
Energy: 0.9951159085156351
Energy: 0.9964102079506011
Energy: 0.9336379978241338
Energy: 0.7632259197604837
Energy: 0.9753106813676266
Energy: 0.9066979429481844
Energy: 0.8299462291369646
Energy: 1.0002677875293624
Energy: 0.9069016817800705

minimum gb energy = 0.7548188482826751 eV
minimum distance =  2.29976177695644 Angstroms
sigma value = 43


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

Energy: 0.6623641158392294
Energy: 0.9887294671850404
Energy: 0.827511496300485
Energy: 0.7104194340152601
Energy: 1.026438233491153
Energy: 0.789636319643894
Energy: 0.924327383921478
Energy: 0.7672648952572624
Energy: 0.7286540590851457
Energy: 0.855019806972136
Energy: 0.8181710012393677
Energy: 0.721960112229495
Energy: 1.0015483413580522
Energy: 0.6936894446459527
Energy: 0.7144408008207133
Energy: 0.8444732175605205
Energy: 0.6928723537895324
Energy: 0.7321284155876634
Energy: 0.8696442096666107
Energy: 0.6900823712057402
Energy: 0.7290639940833765
Energy: 0.7791007325257222
Energy: 0.7407222201122869
Energy: 0.7929705838359455
Energy: 0.7773067763331474
Energy: 0.7453476299075518
Energy: 0.7295832886809276
Energy: 0.7779072759172475
Energy: 0.779537769578818
Energy: 0.7206076875693302
Energy: 0.6407381598809817
Energy: 0.7758071876097213
Energy: 0.709549549878925
Energy: 0.6775239723502477
Energy: 0.7758802316812409
Energy: 0.6855205281721766
Energy: 0.9095835260796766
Energy: 0.7755796352345686
Energy: 0.7756857281756364
Energy: 0.7113251286409029
Energy: 0.7804316666640669
Energy: 0.6907137455068378
Energy: 0.9054663426526987
Energy: 0.6690422763514041
Energy: 0.6793761383174793
Energy: 0.7117348470756888
Energy: 0.6698497955884577
Energy: 0.678291033034926
Energy: 0.7151089176000743
Energy: 0.679093290514549
Energy: 0.7122380588279016
Energy: 0.7171322889181891
Energy: 0.656305148970848
Energy: 0.7119285524504237
Energy: 0.699617025652651
Energy: 0.671382309694098
Energy: 0.6715480270596075
Energy: 0.713550375209892
Energy: 0.6703954906299273
Energy: 0.6708187763308964
Energy: 0.6354030532594503
Energy: 0.6722548909114022
Energy: 0.667595161789145
Energy: 0.6550100736196331
Energy: 0.6726345839523346
Energy: 0.6624041992212603
Energy: 0.7171180921717409
Energy: 0.6723917926516647
Energy: 0.6721696268091835
Energy: 0.7123310059228775
Energy: 0.6724822029043876
Energy: 0.6651862573196277
Energy: 0.865725565807204
Energy: 0.7057148367710409
Energy: 0.7143453329733801
Energy: 0.7127241276364455
Energy: 0.6815897300594727
Energy: 0.7147809353377909
Energy: 0.649051657616569
Energy: 0.662940545595661
Energy: 0.6488577385961722
Energy: 0.6509434087632193
Energy: 0.6381984487160728
Energy: 0.6489413680147383
Energy: 0.6484528602197726
Energy: 0.6561824505213946
Energy: 0.6558689736508069
Energy: 0.6483788009139576
Energy: 0.6551186297030562
Energy: 0.6549474787952835
Energy: 0.6422664600280746
Energy: 0.6380213358327032
Energy: 0.6388690224659817
Energy: 0.6795634920605206
Energy: 0.6385360707445189
Energy: 0.6527914064391191
Energy: 0.653139393288995
Energy: 0.6384336219105204
Energy: 0.6377026206393499
Energy: 0.6803917447568918
Energy: 0.6385429715729491
Energy: 0.659110932362755
Energy: 0.6374362044744291
Energy: 0.6592594491274695
Energy: 0.6594032435915014
Energy: 0.6383439732031415
Energy: 0.7012963390407174
Energy: 0.6597503159599063
Energy: 0.6382787012585073
Energy: 0.6581465084071177
Energy: 0.6380135231820521
Energy: 0.6403809490760308
Energy: 0.7651894238907693
Energy: 0.6382172120795391
Energy: 0.6381482844206889
Energy: 0.6663931821064029
Energy: 0.666256074245057
Energy: 0.6381992262665822
Energy: 0.7024279637100218
Energy: 0.6668058748712525
Energy: 0.6766564717308068
Energy: 0.64926499350048
Energy: 0.6487818752194934
Energy: 0.7015187977290078
Energy: 0.6493677303439266
Energy: 0.6660928758362181
Energy: 0.6432161310815707
Energy: 0.6490232424973534
Energy: 0.6495497755015562
Energy: 0.659734226375799
Energy: 0.6493439215634693
Energy: 0.6557040049703766
Energy: 0.6719998798853202
Energy: 0.6599323855788488
Energy: 0.6597094144522724
Energy: 0.6721112859482328
Energy: 0.6588621770327764
Energy: 0.6591294910421306
Energy: 0.6725245022830282
Energy: 0.6853399343179551
Energy: 0.6723704924103718
Energy: 0.6746656384267994
Energy: 0.6488551400589004
Energy: 0.672379250641491
Energy: 0.881582357079981
Energy: 0.6883393207097501
Energy: 0.7012416389824547
Energy: 0.7010860495876604
Energy: 0.6878598926427766
Energy: 0.7013980130388038
Energy: 0.8169839926416933
Energy: 0.7120680566642119
Energy: 0.7121452553085941
Energy: 0.7020006578059371
Energy: 0.7122877898277207
Energy: 0.6681961204863126
Energy: 0.6386077442014678
Energy: 0.7121603469822005
Energy: 0.7126581003066325
Energy: 0.6693099327263695
Energy: 0.7119644902434779
Energy: 0.673614902761373
Energy: 0.6762115308083124
Energy: 0.7117588011971018
Energy: 0.6929649865001127
Energy: 0.7367457666665862
Energy: 0.7121061833571977
Energy: 0.6914519000584877
Energy: 0.7793036515273299
Energy: 0.6992898114191354
Energy: 0.7756910949640224
Energy: 0.781472871570364
Energy: 0.6764043336436237
Energy: 0.7755141846226056
Energy: 0.9428449293886808
Energy: 0.6812293143741243
Energy: 0.6965432480166843
Energy: 0.7777251101031654
Energy: 0.6817795806236068
Energy: 0.6977739639258215
Energy: 0.939409909601715
Energy: 0.7669043170712644
Energy: 0.7635643335073383
Energy: 0.7771596412206471
Energy: 0.7669508348188067
Energy: 0.7632431683407391
Energy: 0.6503143515127774
Energy: 0.8357775008411625
Energy: 0.7587701470656555
Energy: 0.6906484616822485
Energy: 0.8788904801841968
Energy: 0.7555965528570677
Energy: 0.8661700280543257
Energy: 0.8052188920322619
Energy: 0.7887270170472309
Energy: 0.7762322386246928
Energy: 0.8831712691754172
Energy: 0.7820561080901198
Energy: 0.9411875355946611
Energy: 0.7407111230966402
Energy: 0.7569385053840182
Energy: 0.7792623257767158
Energy: 0.8333397393610096
Energy: 0.8394307833821449
Energy: 0.987842982555797
Energy: 0.7010727965197806
Energy: 0.758846767055407
Energy: 0.8441890796331528
Energy: 0.7011301804329853
Energy: 0.7584414579919191
Energy: 0.9251433869673724
Energy: 0.8429743123849599
Energy: 0.7885923401036355
Energy: 0.8564513209488733
Energy: 0.8825636151186567
Energy: 0.7269302540984174

minimum gb energy = 0.6354030532594503 eV
minimum distance =  2.34665874067495 Angstroms
sigma value = 81


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

Energy: 0.04868430449101881
Energy: 0.051265855960594964
Energy: 0.04889069580737926
Energy: 0.051532537940714454
Energy: 0.05057471051692699
Energy: 0.04920238819223433
Energy: 0.10167037381215477
Energy: 0.05057561674453207
Energy: 0.051007130030182785
Energy: 0.09988617106652722
Energy: 0.05584206337690989
Energy: 0.050551140519688106
Energy: 0.09968097830100951
Energy: 0.04940500477285813
Energy: 0.049178425729927436
Energy: 0.09917724108820195
Energy: 0.0490709859667343
Energy: 0.09986643355269836
Energy: 0.05434619542283843
Energy: 0.049319151678868314
Energy: 0.0496906337224595
Energy: 0.051972309337724454
Energy: 0.04915737771166374
Energy: 0.1001873177847723
Energy: 0.09966590857381498
Energy: 0.10023565593517353
Energy: 0.09935499786107546
Energy: 0.10081609985401059
Energy: 0.09953206481935539
Energy: 0.10091005905965318
Energy: 0.04998396739285861
Energy: 0.05083601666553624
Energy: 0.04909930981593749
Energy: 0.05191675009234134
Energy: 0.05077381480019456
Energy: 0.049381775528285335
Energy: 0.10006415249254363
Energy: 0.05065660928807402
Energy: 0.05071819178799267
Energy: 0.10003308422287223
Energy: 0.0523582736541867
Energy: 0.05070209747228377
Energy: 0.09995728687931589
Energy: 0.04936788400141076
Energy: 0.049772066098510453
Energy: 0.0999579398119448
Energy: 0.049068804262626345
Energy: 0.10149258750465708
Energy: 0.051638957128156804
Energy: 0.04910227548155557
Energy: 0.10110727166387141
Energy: 0.05339856428885049
Energy: 0.0495506823992997
Energy: 0.10224371680618094
Energy: 0.0488760904920272
Energy: 0.09933092446914028
Energy: 0.09930302623976518
Energy: 0.04886401185334809
Energy: 0.09937682265701873
Energy: 0.0994667326251307

minimum gb energy = 0.04868430449101881 eV
minimum distance =  2.46719484604562 Angstroms
sigma value = 3


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

Energy: 0.8162648016857871
Energy: 0.7838720996853402
Energy: 0.8033840269560847
Energy: 0.710660160758288
Energy: 0.7816286910695158
Energy: 0.7118618692230573
Energy: 0.8089784315018143
Energy: 0.783073617658383
Energy: 0.7833613926755016
Energy: 0.7833808117696941
Energy: 0.7849609315802708
Energy: 0.7283921983337714
Energy: 0.8250338600254294
Energy: 0.7368909422603335
Energy: 0.7376121992792766
Energy: 0.7822352441496637
Energy: 0.7365287540608427
Energy: 0.7821808676600723
Energy: 0.7497018998840085
Energy: 0.7372789322889735
Energy: 0.7358687069757994
Energy: 0.7493058978919576
Energy: 0.6700970423407133
Energy: 0.7875166048110273
Energy: 0.682406240617703
Energy: 0.7832566286037953
Energy: 0.7270410853371326
Energy: 0.6826389802949985
Energy: 0.7830149738283403
Energy: 0.7275723712196972
Energy: 0.7650432473922403
Energy: 0.7273909297020335
Energy: 0.7337662279292542
Energy: 0.6322721994092536
Energy: 0.7269754036073207
Energy: 0.6734247069407189
Energy: 0.7504915405030591
Energy: 0.695633601654261
Energy: 0.6966030731368295
Energy: 0.7499504834154291
Energy: 0.6994754031584167
Energy: 0.7601668034874485
Energy: 0.7492827032803425
Energy: 0.6427074371960425
Energy: 0.6837842574770995
Energy: 0.7492683074258715
Energy: 0.6057548734021486
Energy: 0.6849531623881323
Energy: 0.7161673147670811
Energy: 0.6844881329842301
Energy: 0.7635255446561376
Energy: 0.6454157363425977
Energy: 0.6386761268843115
Energy: 0.7620389206047452
Energy: 0.6474142070827026
Energy: 0.6945702818318483
Energy: 0.6937238689662796
Energy: 0.6484025410258122
Energy: 0.6996347913145102
Energy: 0.6968061176526947
Energy: 0.6118782996739899
Energy: 0.6992194597744434
Energy: 0.7000082608318361
Energy: 0.6151483517531284
Energy: 0.6159947516702271
Energy: 0.6413191514146548
Energy: 0.6469106068360436
Energy: 0.7730626425202706
Energy: 0.6949038644406725
Energy: 0.6468728674083246
Energy: 0.6462640155052316
Energy: 0.6461961772196902
Energy: 0.6479052413258697
Energy: 0.719499085775594
Energy: 0.6504982364083624
Energy: 0.6487066521879311
Energy: 0.5950623159471763
Energy: 0.6499920034073842
Energy: 0.5995276441159142
Energy: 0.6184069563584083
Energy: 0.645878009330514
Energy: 0.65223828592844
Energy: 0.6151884272712251
Energy: 0.7431487084840775
Energy: 0.7473794121986809
Energy: 0.6155012651513613
Energy: 0.6151208254392876
Energy: 0.7468660473337341
Energy: 0.6194063558552203
Energy: 0.6148243692587108
Energy: 0.7474464075161256
Energy: 0.6171358753563414
Energy: 0.6185033151203809
Energy: 0.6767686136910973
Energy: 0.7411364672431109
Energy: 0.7222229640444895
Energy: 0.5993017390086534
Energy: 0.6173794944741938
Energy: 0.7211528561560092
Energy: 0.5993562685524404
Energy: 0.619290681353147
Energy: 0.5987108566161267
Energy: 0.5984908665162977
Energy: 0.7133722505973993
Energy: 0.713621201729935
Energy: 0.5988536401515476
Energy: 0.6010178380483246
Energy: 0.670193795206554
Energy: 0.7479018616079229
Energy: 0.6025553865909641
Energy: 0.7212696458159716
Energy: 0.6012461465864605
Energy: 0.5985622308508964
Energy: 0.7159134786925091
Energy: 0.7405792407377239
Energy: 0.5985726072126336
Energy: 0.5981362778679672
Energy: 0.7414062750061449
Energy: 0.6054117044773847
Energy: 0.5983706927471533
Energy: 0.7392719355211969
Energy: 0.7221975809149161
Energy: 0.7230637298638205
Energy: 0.7411566888151112
Energy: 0.7253017569410751
Energy: 0.7213679281635688
Energy: 0.6184988558945982
Energy: 0.7229225286385305
Energy: 0.6186425143966142
Energy: 0.6168225290199474
Energy: 0.7239984568284961
Energy: 0.6155255412680402
Energy: 0.6145711814618074
Energy: 0.7492773331423374
Energy: 0.7492034161286303
Energy: 0.6147075746244913
Energy: 0.6520018850578179
Energy: 0.6524858814688276
Energy: 0.7497659994510025
Energy: 0.6526103506240526
Energy: 0.6505941205372268
Energy: 0.6755379679961749
Energy: 0.6501707257170106
Energy: 0.6289934684292346
Energy: 0.6167448649222872
Energy: 0.6474264207523092
Energy: 0.6471460632460584
Energy: 0.6902061667552949
Energy: 0.6521668501058691
Energy: 0.6470068045755513
Energy: 0.6166846782140335
Energy: 0.6668392718161279
Energy: 0.6631806223784023
Energy: 0.6175000998246869
Energy: 0.7217289815920502
Energy: 0.6972906294887378
Energy: 0.698388430024925
Energy: 0.6645169499023874
Energy: 0.6655725508864118
Energy: 0.6978955038935543
Energy: 0.6241926372751887
Energy: 0.6947501068867074
Energy: 0.6619422716151627
Energy: 0.6911331603263826
Energy: 0.794391785492954
Energy: 0.661960979074181
Energy: 0.724343348418939
Energy: 0.7941033126412615
Energy: 0.7673628418117822
Energy: 0.7494103284868269
Energy: 0.7184819448832858
Energy: 0.6180896036948594
Energy: 0.7486591371317222
Energy: 0.6576012561881559
Energy: 0.6946090590342663
Energy: 0.7644579663474826
Energy: 0.766785925614205
Energy: 0.6947433756540015
Energy: 0.7506829636827865
Energy: 0.7915075974062005
Energy: 0.7657450473384421
Energy: 0.6584054409268242
Energy: 0.7043171337900276
Energy: 0.765519679394657
Energy: 0.6120413923951442
Energy: 0.7050044576862585
Energy: 0.8300243294142491
Energy: 0.6965239150298095
Energy: 0.800173730860401
Energy: 0.7780476014906159
Energy: 0.6535730085589346
Energy: 0.7529931898808631
Energy: 0.7009143713385542
Energy: 0.7488069625175947
Energy: 0.7479103709816456
Energy: 0.7007728695212935
Energy: 0.7556271097001982
Energy: 0.7471727029934938

minimum gb energy = 0.5950623159471763 eV
minimum distance =  2.30411862218083 Angstroms
sigma value = 67


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

Energy: 0.9794117385669998
Energy: 0.96871426468208
Energy: 0.9298248984599612
Energy: 0.7804433812493896
Energy: 1.0868651826033668
Energy: 0.9629040459637178
Energy: 0.9753300189112325
Energy: 0.9560530068034113
Energy: 0.9431955492205789
Energy: 0.9378101601438975
Energy: 0.9533018125686618
Energy: 0.8651712738225626
Energy: 0.9571566934637494
Energy: 0.8750141649510604
Energy: 0.9516536089297738
Energy: 0.930682013689748
Energy: 0.875773219003976
Energy: 0.955750033367339
Energy: 0.884712701679796
Energy: 0.9513125414830301
Energy: 0.9491506872798333
Energy: 0.8854611533884554
Energy: 0.8850969498829666
Energy: 0.9513144431547308
Energy: 0.8743889693710812
Energy: 0.9566420962403661
Energy: 0.8705562791215565
Energy: 0.8744518204948739
Energy: 0.9512747321685643
Energy: 0.8639322439318996
Energy: 0.9179222575749901
Energy: 0.8669062415037102
Energy: 0.871349890704091
Energy: 0.8080714403809179
Energy: 0.8653382149289748
Energy: 0.881792075335396
Energy: 0.887734360169108
Energy: 0.8962856991185367
Energy: 0.8096497345924148
Energy: 0.8886686736471082
Energy: 0.809343872122895
Energy: 0.8181870595577986
Energy: 0.8790633286847759
Energy: 0.7726374613739397
Energy: 0.8019052690574964
Energy: 0.8784809660689283
Energy: 0.7651116990778908
Energy: 0.8131928323671682
Energy: 0.7756895978133598
Energy: 0.8140850447677588
Energy: 0.8104885471652256
Energy: 0.9281250050581461
Energy: 0.8054467595338626
Energy: 0.8103333566333801
Energy: 0.7629144592280271
Energy: 0.8121926020469804
Energy: 0.8072324068606508
Energy: 0.7640981076789994
Energy: 0.8094586461806117
Energy: 0.8078759663749816
Energy: 0.7637023046718933
Energy: 0.806118953729369
Energy: 0.8060332800691618
Energy: 0.7667905465903877
Energy: 0.9106599481470558
Energy: 0.807794339353161
Energy: 0.7722102941887489
Energy: 0.8127177781859379
Energy: 0.901754927797251
Energy: 0.7730496930676478
Energy: 0.8100866882549184
Energy: 0.7641970981666926
Energy: 0.7646727968655492
Energy: 0.7765861892525459
Energy: 0.890551166003003
Energy: 0.7645476745987585
Energy: 0.7691873221978498
Energy: 0.7637862353183787
Energy: 0.9095015140357666
Energy: 0.8418306110412546
Energy: 0.8435841034894171
Energy: 0.7663395474055293
Energy: 0.8397870816325337
Energy: 0.891626216220125
Energy: 0.9043226365981313
Energy: 0.7698508663677391
Energy: 0.7656041184047372
Energy: 0.9057051424130803
Energy: 0.7670563609163702
Energy: 0.7658482030137841
Energy: 0.9030629103808098
Energy: 0.8497876825583208
Energy: 0.9036964391475104
Energy: 0.8473960773078387
Energy: 0.7635702219790749
Energy: 0.9009156938578347
Energy: 0.8137388505043278
Energy: 0.7631837902909293
Energy: 0.7743007359128228
Energy: 0.8142382075666601
Energy: 0.7562667193378767
Energy: 0.8049129983444587
Energy: 0.8064879213663743
Energy: 0.9283299260177481
Energy: 0.9327749264835065
Energy: 0.8066428939504444
Energy: 0.8105583445810113
Energy: 0.8074130036290572
Energy: 0.9020277249776394
Energy: 0.7687039303400389
Energy: 0.8348830591515134
Energy: 0.7800091418801887
Energy: 0.7694390215799485
Energy: 0.8327253135577051
Energy: 0.806962123669284
Energy: 0.8840414608708065
Energy: 0.820763807189343
Energy: 0.8083280752898845
Energy: 0.8823327769360627
Energy: 0.814780032762004
Energy: 0.8947619372432039
Energy: 0.9088419054546735
Energy: 0.7726571772902402
Energy: 0.895804808100093
Energy: 0.9141431600714903
Energy: 0.7811638730715726
Energy: 0.9560955276161064
Energy: 0.7703882067968467
Energy: 0.7805275326874958
Energy: 0.9322819567074151
Energy: 0.8483707698795787
Energy: 0.7788625276441914
Energy: 0.9107514373755677
Energy: 0.8883488407113976
Energy: 0.8787995148319347
Energy: 0.9110836654385038
Energy: 0.8840101643087818
Energy: 0.8113923449669651

minimum gb energy = 0.7562667193378767 eV
minimum distance =  2.3019950846801 Angstroms
sigma value = 33


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

Energy: 1.119689163058354
Energy: 0.9986092941539689
Energy: 1.122582208854888
Energy: 0.9119742865076746
Energy: 0.9986277162013178
Energy: 1.0390813500452643
Energy: 1.1067105311776875
Energy: 0.9643067861089002
Energy: 0.9636638814801735
Energy: 0.9633020701816556
Energy: 0.9624397587211013
Energy: 0.8933716957392169
Energy: 1.0834454144958805
Energy: 0.9595835096585362
Energy: 1.017406861420839
Energy: 0.9692751268631126
Energy: 0.9560853796060255
Energy: 1.0429378918964765
Energy: 0.9643895595120279
Energy: 1.0172666337126977
Energy: 1.0430668141898007
Energy: 0.9640122248500341
Energy: 1.0403651108449035
Energy: 1.0463293814057826
Energy: 0.9618561328895515
Energy: 0.965151096066687
Energy: 0.8924535658207058
Energy: 0.9619150196715133
Energy: 1.05827614712551
Energy: 0.8924549370102832
Energy: 0.9652191462634813
Energy: 0.8851884471768787
Energy: 0.8878745807865785
Energy: 0.8853239087525261
Energy: 0.8829497059162664
Energy: 0.9579641226650486
Energy: 0.9624075906810311
Energy: 0.8846199008123264
Energy: 0.8858215251662661
Energy: 0.9627942547814242
Energy: 0.8836414054414801
Energy: 0.8906484218184597
Energy: 0.963841324029358
Energy: 0.8808564436576408
Energy: 0.9315759862454684
Energy: 0.963757382024151
Energy: 0.8882784325969778
Energy: 0.9634409901610275
Energy: 0.951716049021809
Energy: 0.9740973001832435
Energy: 0.9039790346576203
Energy: 0.8938771354516121
Energy: 0.8821568419538253
Energy: 0.8935272490246062
Energy: 0.9503985638650282
Energy: 0.8827308549616761
Energy: 0.8824169864639816
Energy: 0.9505625377474387
Energy: 0.8835774118166749
Energy: 0.883176714423511
Energy: 0.9445097570549368
Energy: 0.8837171131810587
Energy: 0.8830773498956974
Energy: 0.8857691617363497
Energy: 0.882896562144895
Energy: 0.8875763472377728
Energy: 0.882567192472405
Energy: 0.8834838185449578
Energy: 0.8833506886425311
Energy: 0.8826398691847925
Energy: 0.8997481801804497
Energy: 0.8840985410839853
Energy: 0.8818055971466296
Energy: 0.8937258385800081
Energy: 0.8821983377550827
Energy: 0.8815193629422012
Energy: 0.8938911666693912
Energy: 0.8824345855038432
Energy: 0.8580622027381781
Energy: 0.892272971769835
Energy: 0.8917442995497353
Energy: 0.8619713996219214
Energy: 0.9454696275541422
Energy: 0.901050867953508
Energy: 0.8599933067265666
Energy: 0.9633686822846065
Energy: 0.8952375723148092
Energy: 0.8592358060391637
Energy: 0.9636361479383038
Energy: 0.8905877859602896
Energy: 0.8955771839752006
Energy: 0.987112877066332
Energy: 0.8573192306099082
Energy: 0.8954302895944444
Energy: 0.9012384970091586
Energy: 0.8908446773791211
Energy: 1.0842952236156973
Energy: 0.9001751404365131
Energy: 0.9008891746765217
Energy: 0.9708117240595241
Energy: 0.9069854587396043
Energy: 0.9468689747637644
Energy: 1.0822361805578171
Energy: 0.9616176085217937
Energy: 0.9620617411320074
Energy: 1.0540814934212763
Energy: 0.9675627616507447
Energy: 1.0541304113246752
Energy: 1.0586983955765272
Energy: 0.9716524397555016
Energy: 0.9040491966772999
Energy: 0.9072752340758193
Energy: 0.9725400702526412
Energy: 1.0078632279549924
Energy: 1.0087950218210875
Energy: 0.9649477608728567
Energy: 0.9647738660209083
Energy: 1.009738471706647
Energy: 0.964040732287248
Energy: 0.8933510639117044
Energy: 1.087406253146816
Energy: 1.0179477729619666
Energy: 1.0195617065955909
Energy: 0.9672004632272787
Energy: 0.9707162261493596
Energy: 1.0441417911998239
Energy: 1.0506929743253017
Energy: 0.9585908329401635
Energy: 1.0210331189699338
Energy: 0.9655943719803489
Energy: 0.9772645543952805
Energy: 0.8796135557030421
Energy: 0.9621645970183509
Energy: 0.9646956342591032
Energy: 0.8933056703016203
Energy: 0.9624281466765797
Energy: 0.9628822275229327
Energy: 0.8936701973952036
Energy: 0.9713388117124082
Energy: 0.8841204262634588
Energy: 0.8848405335568201
Energy: 0.8775273127912984
Energy: 0.882807911481475
Energy: 0.9840481966992853
Energy: 0.9621143680515944
Energy: 0.8844331209221886
Energy: 0.8847275621927292
Energy: 0.9620854759933255
Energy: 0.8840943724654841
Energy: 0.8898407504421753
Energy: 0.9687323992968336
Energy: 0.8807143847375593
Energy: 0.9319352082959004
Energy: 0.9701149673038304
Energy: 0.8874699048433111
Energy: 0.9605383617827751
Energy: 0.949692724471916
Energy: 0.8825348709700199
Energy: 0.9684815818233857
Energy: 0.9508264137068794
Energy: 0.9053101293950482
Energy: 0.8921111602361472
Energy: 0.9502720324291563
Energy: 0.8832695740212919
Energy: 0.8828153261287996
Energy: 0.9500796729638346
Energy: 0.8838293925325346
Energy: 0.8832362320983143
Energy: 0.9468961738889706
Energy: 0.8854724714295054
Energy: 0.8849557246150251
Energy: 0.8879306260316513
Energy: 0.8838992023861573
Energy: 0.886111552741464
Energy: 0.8826805204643583
Energy: 0.8820824929236154
Energy: 0.9363265490926845
Energy: 0.8833597818977167
Energy: 0.9040039693166487
Energy: 0.8838242467040944
Energy: 0.8843831769250072
Energy: 0.8932044861575289
Energy: 0.8820485389840661
Energy: 0.8841492995024407
Energy: 0.8935275710678379
Energy: 0.8828071025824151
Energy: 0.8590878662813923
Energy: 0.8927162817547294
Energy: 0.8923049448690195
Energy: 0.8615188452979379
Energy: 0.9501450887618476
Energy: 0.9089352691067616
Energy: 0.8605230919894811
Energy: 0.9637051404414658
Energy: 0.959012854157476
Energy: 0.8600638705905114
Energy: 0.9646829969911114
Energy: 0.8947612995330069
Energy: 0.8931824247701787
Energy: 0.9875118793713163
Energy: 0.8822089354277562
Energy: 0.8932830192757863
Energy: 0.9001676521947628
Energy: 0.8909080131352303
Energy: 1.1443184584265902
Energy: 0.9013401047911254
Energy: 0.9015426177407937
Energy: 1.1431974547583412
Energy: 0.8625654294825988
Energy: 0.945951315255706
Energy: 1.0871329543952493
Energy: 0.9613560702304575
Energy: 0.959879981628839
Energy: 1.0590056637230016
Energy: 0.9604859865607631
Energy: 0.890551591739257
Energy: 1.0600049806853742
Energy: 0.971655530663532
Energy: 0.904610270213583
Energy: 0.9027364363917215
Energy: 0.9707430595211025
Energy: 1.0090584728434757

minimum gb energy = 0.8573192306099082 eV
minimum distance =  2.30695229813408 Angstroms
sigma value = 41


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

Energy: 1.397464528012716
Energy: 1.0747533045058835
Energy: 1.1766068497184947
Energy: 1.017000507371162
Energy: 1.0742366679687838
Energy: 1.1769245715435201
Energy: 1.2417247975308543
Energy: 1.0837900827662863
Energy: 1.0774859795190077
Energy: 1.079168773243952
Energy: 1.15669711117883
Energy: 1.1238353948880226
Energy: 1.2280074035163486
Energy: 1.0235771154422952
Energy: 1.0196661376305869
Energy: 1.0788212463642899
Energy: 1.0564598388254551
Energy: 1.0761251437909656
Energy: 1.0838258121529138
Energy: 1.0233782567977756
Energy: 1.0205933882974894
Energy: 1.0842820790181724
Energy: 1.0238062119749851
Energy: 1.0576163597741528
Energy: 1.055577075733846
Energy: 1.0815644606538284
Energy: 1.0809370248119714
Energy: 1.0557273611680273
Energy: 1.0827011152998554
Energy: 1.0480732559218198
Energy: 1.091162603134693
Energy: 1.1273378591813454
Energy: 1.0251051016997836
Energy: 1.0287179810391778
Energy: 1.1274041177513394
Energy: 1.0230190355480995
Energy: 1.0537962682711979
Energy: 1.047901320002526
Energy: 1.0433899863528378
Energy: 1.053779442601782
Energy: 1.022642879908655
Energy: 1.0278323559581384
Energy: 1.0573897547780395
Energy: 1.0246644738171338
Energy: 1.027230054179563
Energy: 1.0588713131974026
Energy: 1.0242560684337605
Energy: 1.0555490481785668
Energy: 1.1435853345811122
Energy: 1.023867772628345
Energy: 1.0223144107236815
Energy: 1.1462807617894828
Energy: 1.0953226197538333
Energy: 1.0224301140997045
Energy: 1.0929262196906682
Energy: 1.0623909674471759
Energy: 1.055461535569298
Energy: 1.07696777501063
Energy: 1.0563435262412242
Energy: 1.0231284425982627
Energy: 1.1716576517134207
Energy: 1.0577566664066904
Energy: 1.0249313039694339
Energy: 1.0222767541637052
Energy: 0.9975981426171969
Energy: 1.0272833488206305
Energy: 1.2291077813739755
Energy: 0.9977063350701991
Energy: 1.077162434558859
Energy: 1.2296053755128373
Energy: 0.997658310327131
Energy: 1.086019972517836
Energy: 1.2409067224125176
Energy: 1.0600143695625799
Energy: 1.0764405168442204
Energy: 1.0774140462739492
Energy: 1.0581071147107681
Energy: 1.1251112381048842
Energy: 0.9972623440748388
Energy: 1.0776666996466548
Energy: 0.9988366866207783
Energy: 1.0043062985402798
Energy: 1.0784892903687375
Energy: 0.9988689223061337

minimum gb energy = 0.9972623440748388 eV
minimum distance =  2.31869927916441 Angstroms
sigma value = 11


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

Energy: 1.7732705275269764
Energy: 1.2917449685976
Energy: 1.2483575394570658
Energy: 1.2425653428298147
Energy: 1.358417264658329
Energy: 1.21236605268338
Energy: 1.3767672439887177
Energy: 1.1733967966734233
Energy: 1.1727330492636052
Energy: 1.2346677554283518
Energy: 1.1735592647443418
Energy: 1.1610767160120592
Energy: 1.397766557880838
Energy: 1.2002208519900937
Energy: 1.2191881713703587
Energy: 1.400735371968998
Energy: 1.1592356991051864
Energy: 1.204564795920579
Energy: 1.233328898302401
Energy: 1.1577588855507155
Energy: 1.2029974878787317
Energy: 1.1978280216194377
Energy: 1.1583403436200268
Energy: 1.2026226753077465
Energy: 1.2315027374181104
Energy: 1.1734981471957255
Energy: 1.1736235941684128
Energy: 1.1976066105097787
Energy: 1.173551340928662
Energy: 1.1730931718128783
Energy: 1.2325679577351343
Energy: 1.1927810090454134
Energy: 1.2033009571673918
Energy: 1.208518465174841
Energy: 1.1926288274935999
Energy: 1.218039522731193
Energy: 1.1927055953266288
Energy: 1.2065756116713096
Energy: 1.2029994496615304
Energy: 1.1924800464849463
Energy: 1.2261082651750734
Energy: 1.2071451406670435
Energy: 1.1907555038930442
Energy: 1.193941684411061
Energy: 1.1736070501695424
Energy: 1.1746100915971522
Energy: 1.232169461487221
Energy: 1.1738787862414268
Energy: 1.1939709257735092
Energy: 1.2170746789685123
Energy: 1.206124238253197
Energy: 1.1701150706105274
Energy: 1.183682350939348
Energy: 1.1634429387675456
Energy: 1.1937679804374661
Energy: 1.2171191472104805
Energy: 1.2046400718861023
Energy: 1.1849779040993897
Energy: 1.2170417843865098
Energy: 1.1633213924467813
Energy: 1.1914232351827567
Energy: 1.1971436512230114
Energy: 1.1737394798284393
Energy: 1.174166039661007
Energy: 1.1885310182089854
Energy: 1.1725891820600045
Energy: 1.1770004561024934
Energy: 1.1568694191830526
Energy: 1.2193266456538154
Energy: 1.1778466185014387
Energy: 1.220188887434391
Energy: 1.2774427791641618
Energy: 1.1727583970928344
Energy: 1.2016395744032258
Energy: 1.1940414058594222
Energy: 1.1725876030788094
Energy: 1.2370978411020024
Energy: 1.1926954943512615
Energy: 1.1908252468950644
Energy: 1.283985885897736
Energy: 1.2281648775425422
Energy: 1.1977354510112588
Energy: 1.1850386647883548
Energy: 1.2238246186271442
Energy: 1.1597494561833614
Energy: 1.1801042994307633
Energy: 1.2245279485600933
Energy: 1.160254841212132
Energy: 1.1805812342062825
Energy: 1.1603615471663349
Energy: 1.160632922980279
Energy: 1.1810900065362886
Energy: 1.1599797957036684
Energy: 1.1623535376521337
Energy: 1.1798340167618238
Energy: 1.1599923524873597
Energy: 1.1594111812784071
Energy: 1.2163396649329858
Energy: 1.2291722876553657
Energy: 1.1595713702862087
Energy: 1.1826038206235714
Energy: 1.188815229894635
Energy: 1.2035877063445775
Energy: 1.2420215674153228
Energy: 1.2442562352973525
Energy: 1.1900250188315598
Energy: 1.2724411324094813
Energy: 1.203621246130163
Energy: 1.1900045599283242
Energy: 1.1809284533131936
Energy: 1.1806113364307933
Energy: 1.1903261391858286
Energy: 1.1924697511134756
Energy: 1.208256585346655
Energy: 1.2140756691767172
Energy: 1.2187399344389331
Energy: 1.1608121078646991
Energy: 1.1894102321700777
Energy: 1.1601364732816863
Energy: 1.215283468150204
Energy: 1.2800899695622607
Energy: 1.1603440150940265
Energy: 1.224748732222229
Energy: 1.1840595481167504
Energy: 1.1920786472623657
Energy: 1.2015923672572406
Energy: 1.1905483066565463
Energy: 1.1831379420023842
Energy: 1.1832353197885503
Energy: 1.170364546358096
Energy: 1.1839204355142963
Energy: 1.2034331174503115
Energy: 1.2041655444130517
Energy: 1.1835051840191897
Energy: 1.2006368622167642
Energy: 1.1571422626804166
Energy: 1.1850747436967843
Energy: 1.2208526084471285
Energy: 1.274416870987439
Energy: 1.191244017093525
Energy: 1.1966603074309194
Energy: 1.1924138064698713
Energy: 1.1910095222338613
Energy: 1.1802232687593588
Energy: 1.2685816118600555
Energy: 1.2064168374832367
Energy: 1.2053270653014145
Energy: 1.2703720259792237
Energy: 1.173229292829689
Energy: 1.251039846752472
Energy: 1.272071530034505
Energy: 1.1911019173674364
Energy: 1.1736122804035032
Energy: 1.1931144977200105
Energy: 1.1600123954854882
Energy: 1.205550872763148
Energy: 1.2678248745128333
Energy: 1.1594983840255373
Energy: 1.159080145964526
Energy: 1.1803542681626904
Energy: 1.162850296792309
Energy: 1.160833589176928
Energy: 1.2675907339047552
Energy: 1.184137171790093
Energy: 1.160040667193865
Energy: 1.1818403369568988
Energy: 1.1605195452159782
Energy: 1.2259480884490437
Energy: 1.2853887503976245
Energy: 1.212234603031731
Energy: 1.2133386758544316
Energy: 1.2851086400447256
Energy: 1.1705580064298902
Energy: 1.2059086701899004
Energy: 1.3901346976309714
Energy: 1.1732688174344457
Energy: 1.1743906351654945
Energy: 1.2009635563833903
Energy: 1.1727872350004998
Energy: 1.1803873088483516
Energy: 1.2382821850480499
Energy: 1.1737080237893949
Energy: 1.2177797122237608
Energy: 1.1602804295344558
Energy: 1.1787222620363351
Energy: 1.2128422747082863

minimum gb energy = 1.1568694191830526 eV
minimum distance =  2.3054455174001 Angstroms
sigma value = 57


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

Energy: 1.6064256416510305
Energy: 1.1730611792628785
Energy: 1.3284766719509604
Energy: 1.3294760553689797
Energy: 1.7470712777092507
Energy: 1.3262352401932027
Energy: 1.2461403882666033
Energy: 1.1820820235563385
Energy: 1.182312627863005
Energy: 1.1724704749343218
Energy: 1.1805199948303988
Energy: 1.1731986868756958
Energy: 1.251750849219992
Energy: 1.209726781782682
Energy: 1.1691969702003229
Energy: 1.2471321040924723
Energy: 1.1693312972228582
Energy: 1.1853694528952756
Energy: 1.1729989074328626
Energy: 1.18422519265821
Energy: 1.1702723891399163
Energy: 1.174382735687392
Energy: 1.1693690419666243
Energy: 1.171491072457309
Energy: 1.172325251838968
Energy: 1.181683577111476
Energy: 1.186192472921043
Energy: 1.1766436704418999
Energy: 1.176405859257075
Energy: 1.1737249395478522
Energy: 1.1748790325108103
Energy: 1.2463886448510297
Energy: 1.2470376721265655
Energy: 1.1773695710171304
Energy: 1.2482698311314737
Energy: 1.1794623828743107
Energy: 1.2463062283543966
Energy: 1.203840834012329
Energy: 1.2148492749326574
Energy: 1.2476786066513905
Energy: 1.2010549121413112
Energy: 1.247531649040864
Energy: 1.2999355107570747
Energy: 1.182003868610766
Energy: 1.1828627985489648
Energy: 1.1777919632016236
Energy: 1.1727792800036194
Energy: 1.1711950394896486
Energy: 1.207970956772696
Energy: 1.177661009617319
Energy: 1.2052477718259835
Energy: 1.1383701819896066
Energy: 1.1735488778744974
Energy: 1.210618508892804
Energy: 1.1378970076981283
Energy: 1.1754334109362758
Energy: 1.206228833042551
Energy: 1.1384399722688925
Energy: 1.2469516748688276
Energy: 1.1432987674691137
Energy: 1.2994470581445055
Energy: 1.1842768202731515
Energy: 1.1884039356406584
Energy: 1.1784698965747502
Energy: 1.172849190455354
Energy: 1.1705730239630592
Energy: 1.233399161951928
Energy: 1.2696301514281738
Energy: 1.2770443468282164
Energy: 1.2338651512807495
Energy: 1.206891863796359
Energy: 1.1753605421737987
Energy: 1.1722986138443041
Energy: 1.179434675824908
Energy: 1.1779482047782104
Energy: 1.1730730928255293
Energy: 1.1750820813775242
Energy: 1.1716206157158864
Energy: 1.1750463887070202
Energy: 1.2483444252325497
Energy: 1.2490905776912795
Energy: 1.1792122031400611
Energy: 1.2493520572930226
Energy: 1.1735698671083286
Energy: 1.174248843270433
Energy: 1.199011543303314
Energy: 1.1825838734353291
Energy: 1.1733405147691744
Energy: 1.1924898592200206
Energy: 1.1709226625253029
Energy: 1.2541199631199735
Energy: 1.2006765947771159
Energy: 1.2080214318504758
Energy: 1.2492509078897913
Energy: 1.1944482585970666
Energy: 1.1844660093576937
Energy: 1.1380257298933962
Energy: 1.1792010816121716
Energy: 1.1718688859864514
Energy: 1.137677929335863
Energy: 1.1813512832396533
Energy: 1.1748968425390613

minimum gb energy = 1.137677929335863 eV
minimum distance =  2.32198252920497 Angstroms
sigma value = 9


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

Energy: 1.9636304430615774
Energy: 1.3289997124874866
Energy: 1.2738673276819312
Energy: 1.243314320985506
Energy: 1.3262727235129292
Energy: 1.2857408370426129
Energy: 1.2649492767499253
Energy: 1.2588054727619433
Energy: 1.2536549737715268
Energy: 1.2695012885385064
Energy: 1.2587010970851311
Energy: 1.2576441971522507
Energy: 1.2976207586408672
Energy: 1.2493511592290703
Energy: 1.254555531714563
Energy: 1.2566404927202737
Energy: 1.288032842632859
Energy: 1.2561880950820177
Energy: 1.2409244458799604
Energy: 1.2521242514080269
Energy: 1.2779151410056504
Energy: 1.2410665684907032
Energy: 1.2508638313049871
Energy: 1.2537879012770088
Energy: 1.2992267170608638
Energy: 1.2434483621483352
Energy: 1.2154047997895
Energy: 1.3000047788662867
Energy: 1.259169670153241
Energy: 1.2133210810644275
Energy: 1.251839582390826
Energy: 1.2602499879384492
Energy: 1.2582807816830244
Energy: 1.2534318084942795
Energy: 1.258478544019221
Energy: 1.2579551196467929
Energy: 1.233000585278105
Energy: 1.2586312400402928
Energy: 1.2411942981394861
Energy: 1.234141014585546
Energy: 1.264312503292321
Energy: 1.2432254420029087
Energy: 1.277493884919022
Energy: 1.2530313861069386
Energy: 1.2642592746464965
Energy: 1.2339387314196206
Energy: 1.2535972749000377
Energy: 1.2659613666947125
Energy: 1.2759933436804314
Energy: 1.2434200674588616
Energy: 1.2221549929444513
Energy: 1.2715253781657403
Energy: 1.2585555696758424
Energy: 1.277886451420517
Energy: 1.2771479758067361
Energy: 1.2399621918422794
Energy: 1.2202991373851266
Energy: 1.2710083942575712
Energy: 1.2349346542076305
Energy: 1.2136602947335209
Energy: 1.277193644237824
Energy: 1.2444914066394819
Energy: 1.2443477752959264
Energy: 1.234529206894806
Energy: 1.2619304569835401
Energy: 1.2146680692564273
Energy: 1.2776257360024246
Energy: 1.2527005591950482
Energy: 1.2540666055699468
Energy: 1.259169917860629
Energy: 1.2911692631341307
Energy: 1.2562872351674579
Energy: 1.4968430574127034
Energy: 1.2493727571963902
Energy: 1.2556075196901202
Energy: 1.2606195716155115
Energy: 1.2435134586432217
Energy: 1.2558105647754882
Energy: 1.2734983477701263
Energy: 1.249735730823938
Energy: 1.2521005998666306
Energy: 1.2615672651401684
Energy: 1.2145991951367558
Energy: 1.253792683398656
Energy: 1.2771577502517621
Energy: 1.2114388191848704
Energy: 1.2106655814470255
Energy: 1.2592427942283977
Energy: 1.2412348636064985
Energy: 1.2165101016822892
Energy: 1.2576704086933033
Energy: 1.247597698762006
Energy: 1.2102769187620364
Energy: 1.2586545622057983
Energy: 1.2829052168238688
Energy: 1.210512025589049
Energy: 1.259057997443765
Energy: 1.2518535231144896
Energy: 1.2837585811916044
Energy: 1.2600276402829886
Energy: 1.2506203204236297
Energy: 1.2528941615894382
Energy: 1.4041048974269328
Energy: 1.259187335424205
Energy: 1.2571494920911785
Energy: 1.291657257541231
Energy: 1.2666498618056459
Energy: 1.2164368410953013
Energy: 1.257886257925674
Energy: 1.253361440827688
Energy: 1.2543043462856454
Energy: 1.258033034199334
Energy: 1.2364614323167125
Energy: 1.255749768651544
Energy: 1.25875152132418
Energy: 1.253057694338986
Energy: 1.2533592985942736
Energy: 1.2359021659072245
Energy: 1.2716864454249588
Energy: 1.2530856545663316
Energy: 1.2601237978645816
Energy: 1.264728746882546
Energy: 1.277965259834545
Energy: 1.2251166760819003
Energy: 1.2626306909946825
Energy: 1.2626482791802136

minimum gb energy = 1.2102769187620364 eV
minimum distance =  2.28589979187352 Angstroms
sigma value = 27


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

Energy: 1.80870605781785
Energy: 1.3660756914409942
Energy: 1.222547700436196
Energy: 1.2209191172888354
Energy: 1.80730945534098
Energy: 1.2258842498719134
Energy: 1.3189139608150353
Energy: 1.2235983700182997
Energy: 1.2249329289938269
Energy: 1.2424759039220667
Energy: 1.2505473764173596
Energy: 1.2243497521787883
Energy: 1.245222941688746
Energy: 1.2082588698894452
Energy: 1.2106935093457143
Energy: 1.234542923638153
Energy: 1.2378168517070454
Energy: 1.2704700624670349
Energy: 1.23610831104461
Energy: 1.229441276458033
Energy: 1.2287092424061692
Energy: 1.2368743856150974
Energy: 1.2291464705421755
Energy: 1.2441973167076577
Energy: 1.2442431354513783
Energy: 1.214998241824148
Energy: 1.2139218741577231
Energy: 1.2455685127248204
Energy: 1.2488018514600225
Energy: 1.2104921911285245
Energy: 1.2530685641547865
Energy: 1.2400994773433687
Energy: 1.2427534625510852
Energy: 1.2528679200781427
Energy: 1.237403257212151
Energy: 1.2481838845010045
Energy: 1.2243749176041379
Energy: 1.2100099662195178
Energy: 1.2096369117407244
Energy: 1.2250395624464994
Energy: 1.2662999385559248
Energy: 1.208594761339592
Energy: 1.2600605423049507
Energy: 1.2070055909714825
Energy: 1.2061534272921377
Energy: 1.2488246247620292
Energy: 1.219894377927361
Energy: 1.2080392525609673
Energy: 1.2613309526571044
Energy: 1.2590107399915087
Energy: 1.2286576855496527
Energy: 1.2705555480691733
Energy: 1.2659003126620472
Energy: 1.2275439464617395
Energy: 1.2613821189259828
Energy: 1.2573368164244252
Energy: 1.260362248813862
Energy: 1.2525021163884271
Energy: 1.2486995552904214
Energy: 1.2444152367167507
Energy: 1.2827353208710988
Energy: 1.2715102647166112
Energy: 1.2679562347834505
Energy: 1.2840185368317871
Energy: 1.237910742298019
Energy: 1.2605036366557247
Energy: 1.266524528839504
Energy: 1.2569587266844542
Energy: 1.2579559500979456
Energy: 1.2598147548166563
Energy: 1.2623661066076077
Energy: 1.253038312729475
Energy: 1.361872133558642
Energy: 1.2151021347329356
Energy: 1.2589778158386729
Energy: 1.2675145676323796
Energy: 1.213247320692977
Energy: 1.265028824609314
Energy: 1.3538630526161746
Energy: 1.2768581704427855
Energy: 1.2521908417882195
Energy: 1.2683568702064563
Energy: 1.2526459883234942
Energy: 1.252333219525203
Energy: 1.2664835137662986
Energy: 1.2609471705848576
Energy: 1.2636839722359587
Energy: 1.267630080507271
Energy: 1.2634825977102768
Energy: 1.2614730278998623
Energy: 1.2651864167730678
Energy: 1.2499093030338246
Energy: 1.2451645383376315
Energy: 1.2499844638567073
Energy: 1.2479092535453904
Energy: 1.251927443501741
Energy: 1.2496720578516094
Energy: 1.2701851049284887
Energy: 1.2540545484158085
Energy: 1.248587725147342
Energy: 1.2711893634056728
Energy: 1.2552744235388418
Energy: 1.263714852510283
Energy: 1.235774255594785
Energy: 1.246866552081453
Energy: 1.266335382786729
Energy: 1.2406420559547613
Energy: 1.251650622199616
Energy: 1.2344255217584732
Energy: 1.2050940997070514
Energy: 1.2152319249377446
Energy: 1.2345913874200427
Energy: 1.2556324065865823
Energy: 1.2128351819182406
Energy: 1.2265087454812853
Energy: 1.2052203730119129
Energy: 1.2118691934738501
Energy: 1.2271744260153747
Energy: 1.2555444138872403
Energy: 1.2132609035646231
Energy: 1.274039085964976
Energy: 1.2360781500799751
Energy: 1.2135012342321023
Energy: 1.255104493493577
Energy: 1.2416482719146544
Energy: 1.2094869512916517
Energy: 1.2361387494046086
Energy: 1.2275986971317938
Energy: 1.227614322438734
Energy: 1.2363953243212937
Energy: 1.3107760766275087
Energy: 1.2248120726447902
Energy: 1.2710365463820303
Energy: 1.2086752060590085
Energy: 1.2081563934830524
Energy: 1.2550647889737971
Energy: 1.208619165267482
Energy: 1.2435848478109195
Energy: 1.2262685821402861
Energy: 1.2304940718977182
Energy: 1.2463386067674556
Energy: 1.2168942289940867
Energy: 1.241497025433502
Energy: 1.2493151554165538
Energy: 1.3645153337050295
Energy: 1.2858015315222613
Energy: 1.2774032910184472
Energy: 1.2359301541307197
Energy: 1.2878572924579004
Energy: 1.2200288781767308

minimum gb energy = 1.2050940997070514 eV
minimum distance =  2.28115599909308 Angstroms
sigma value = 19


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

Energy: 1.280265951456294
Energy: 1.210733789120001
Energy: 1.210570751484179
Energy: 1.2378812810535404
Energy: 1.2095905127087754
Energy: 1.2097652740998708
Energy: 1.2461347643850178
Energy: 1.2124729243435222
Energy: 1.2131504516548661
Energy: 1.2655075705030998
Energy: 1.2122824283299218
Energy: 1.2037428946569078
Energy: 1.2458015417820048
Energy: 1.2176932456449718
Energy: 1.215467556865026
Energy: 1.2405117277323394
Energy: 1.2242805618858021
Energy: 1.2043296149227523
Energy: 1.2429498074571967
Energy: 1.2154525144998503
Energy: 1.218605939929927
Energy: 1.2165123341988306
Energy: 1.2042030376807162
Energy: 1.2041386481220082
Energy: 1.2353953105751005
Energy: 1.2257317706491064
Energy: 1.213977463966745
Energy: 1.2411216625389465
Energy: 1.2417421283567167
Energy: 1.2064111736361565
Energy: 1.2629430375705037
Energy: 1.2733899738944245
Energy: 1.2219733693040786
Energy: 1.2154863603125061
Energy: 1.212814843297115
Energy: 1.204534172220406
Energy: 1.2326978604594219
Energy: 1.2268813624617396
Energy: 1.2214325746713397
Energy: 1.238140965469791
Energy: 1.2287064820972684
Energy: 1.2164335177122219
Energy: 1.2420889140054931
Energy: 1.2123283620891476
Energy: 1.204808184608899
Energy: 1.2119878100913577
Energy: 1.2345515292805633
Energy: 1.2135065666234537
Energy: 1.2150622347146016
Energy: 1.2079476095141164
Energy: 1.2173423091685052
Energy: 1.2236707704611385
Energy: 1.219641265778237
Energy: 1.2213656149121992
Energy: 1.2155582730370578
Energy: 1.2305287163040737
Energy: 1.2325201520773663
Energy: 1.216484637998977
Energy: 1.2316216721828703
Energy: 1.213839199815093
Energy: 1.2425419304285812
Energy: 1.2006607190040324
Energy: 1.1774203022607017
Energy: 1.2414720506654333
Energy: 1.2067889201620157
Energy: 1.1775429990407873
Energy: 1.2307979087298304
Energy: 1.2381969740053929
Energy: 1.1836450162451029
Energy: 1.2213738885729495
Energy: 1.248053162043489
Energy: 1.1693563187216993
Energy: 1.2554193586521558
Energy: 1.2178659350487429
Energy: 1.2171719690818417
Energy: 1.2161887229444581
Energy: 1.2200588383035442
Energy: 1.215695744845436
Energy: 1.301412626856117
Energy: 1.2369380366673879
Energy: 1.2344303360309172
Energy: 1.2020981961491437
Energy: 1.2330442293616732
Energy: 1.2298850773075702
Energy: 1.2304634913254202
Energy: 1.2080171604852081
Energy: 1.1836757409596457
Energy: 1.1978707154577335
Energy: 1.1885265873101414
Energy: 1.1825807789836935
Energy: 1.23063993731559
Energy: 1.208902664931721
Energy: 1.17027845128859
Energy: 1.1995441747505184
Energy: 1.200408358941684
Energy: 1.169986446617781
Energy: 1.2294833925950155
Energy: 1.230339510088062
Energy: 1.2252393667996504
Energy: 1.1911481205048406
Energy: 1.2332790856886913
Energy: 1.2250466424428264
Energy: 1.263660330839965
Energy: 1.199834855832992
Energy: 1.1758031803452302
Energy: 1.194035505268001
Energy: 1.1905660270161869
Energy: 1.1708402514776342
Energy: 1.2504804429243552
Energy: 1.2081458706193202
Energy: 1.1944821729504558
Energy: 1.2147863049969538
Energy: 1.208948242340681
Energy: 1.1892952688160974
Energy: 1.220560103446494
Energy: 1.209187608454344
Energy: 1.1943646636171852
Energy: 1.2017751800651149
Energy: 1.209202607716851
Energy: 1.1891542494288951
Energy: 1.1956347001407106
Energy: 1.2132100600509594
Energy: 1.1751264038674483
Energy: 1.193073197353984
Energy: 1.2154638918646297
Energy: 1.170157191855127
Energy: 1.1897685459470964
Energy: 1.1711708392713924
Energy: 1.1692618874725733
Energy: 1.187450085522883
Energy: 1.1768282433687944
Energy: 1.1834678210678935
Energy: 1.2327665748505583
Energy: 1.2329720120996817
Energy: 1.2227671251980237
Energy: 1.233768249108829
Energy: 1.2316280408914886
Energy: 1.208069492784565
Energy: 1.2672568045300974
Energy: 1.2025490095603366
Energy: 1.2137710793188343
Energy: 1.2520084762842052
Energy: 1.1849277840705108
Energy: 1.21252652543582
Energy: 1.2606728694169647
Energy: 1.1781584612079001
Energy: 1.168978429321108
Energy: 1.198379016325345
Energy: 1.1996963402319583
Energy: 1.1834833862532677
Energy: 1.2336116923192129
Energy: 1.2039840992237236
Energy: 1.2047258248114867
Energy: 1.2188559572087967
Energy: 1.2121593763345733
Energy: 1.204654412689377
Energy: 1.2470158633939308
Energy: 1.2052814746233165
Energy: 1.2210718637570568
Energy: 1.2304579347294318
Energy: 1.2267087705356607
Energy: 1.230457197163387
Energy: 1.245680629694158
Energy: 1.2262016516878023
Energy: 1.2229989405954844
Energy: 1.219975999177184
Energy: 1.2217720800774243
Energy: 1.2150900633798167
Energy: 1.2766382124700646
Energy: 1.2620532959136153
Energy: 1.2629058676111264
Energy: 1.1788780924642694
Energy: 1.2617871620252954
Energy: 1.2242823920372048

minimum gb energy = 1.168978429321108 eV
minimum distance =  2.27314227872186 Angstroms
sigma value = 101


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

Energy: 1.7655379381767922
Energy: 1.1958232437445317
Energy: 1.204725853167343
Energy: 1.1827601569349124
Energy: 1.179467912023417
Energy: 1.146647005928907
Energy: 1.2269645718886442
Energy: 1.1725712986727512
Energy: 1.193292182763739
Energy: 1.165173133406851
Energy: 1.1737427300744976
Energy: 1.1920024139032426
Energy: 1.2286187064937415
Energy: 1.1640396092013487
Energy: 1.1739890323703823
Energy: 1.1759667193794232
Energy: 1.1608630164692846
Energy: 1.1747367794220565
Energy: 1.2147762707998127
Energy: 1.1885217200140863
Energy: 1.1947475869454947
Energy: 1.172777800939263
Energy: 1.1876126046988966
Energy: 1.1966475153500828
Energy: 1.1747953075033384
Energy: 1.174627216593357
Energy: 1.1776511316938174
Energy: 1.178929454010306
Energy: 1.214176045609425
Energy: 1.1954537989662404
Energy: 1.1808043214409547
Energy: 1.1922713467985206
Energy: 1.1912512646415576
Energy: 1.1824294247294804
Energy: 1.193601889704626
Energy: 1.1919916446125056
Energy: 1.224707326880812
Energy: 1.1603027880041503
Energy: 1.1718922569308903
Energy: 1.21455241986974
Energy: 1.1560170001902565
Energy: 1.168830608509984
Energy: 1.20252262941834
Energy: 1.164449278278949
Energy: 1.1662792690433423
Energy: 1.1971473922310791
Energy: 1.2015333663916645
Energy: 1.1898182258262981
Energy: 1.154257326972337
Energy: 1.1712654211383664
Energy: 1.187426107629341
Energy: 1.1558171851378456
Energy: 1.1780255191397517
Energy: 1.1767331932211391
Energy: 1.1522844954391052
Energy: 1.2086062331605234
Energy: 1.2056448544662317
Energy: 1.1610867693800246
Energy: 1.2129196131336992
Energy: 1.1805917531352845
Energy: 1.2185699861484547
Energy: 1.1189042240794205
Energy: 1.132819601006314
Energy: 1.2108642213784548
Energy: 1.127471438146063
Energy: 1.1602428778731062
Energy: 1.2300866802340835
Energy: 1.1693284679665106
Energy: 1.182503137607901
Energy: 1.1782174907950076
Energy: 1.1610776138528827
Energy: 1.1856200550764773
Energy: 1.1822651001737225
Energy: 1.1708551836104644
Energy: 1.1725282778235129
Energy: 1.149743789998313
Energy: 1.1703265039747464
Energy: 1.1714309571341022
Energy: 1.1803205049876477
Energy: 1.1766963555884717
Energy: 1.1947686789663665
Energy: 1.156572493683658
Energy: 1.145379371741981
Energy: 1.1912673733408314
Energy: 1.2258366623391155
Energy: 1.1657684666704595
Energy: 1.1777877613768932
Energy: 1.1780305236080686
Energy: 1.1618377904728148
Energy: 1.1859509625404145
Energy: 1.226636225173794
Energy: 1.1675875775655238
Energy: 1.1932615651812928
Energy: 1.1755014434253785
Energy: 1.1673666465501686
Energy: 1.1965826128875336
Energy: 1.1803926737643982
Energy: 1.2791555262621401
Energy: 1.198215562635989
Energy: 1.1193360062345545
Energy: 1.2051344369155135
Energy: 1.1748710302750436
Energy: 1.2923450129553593
Energy: 1.172744514960326
Energy: 1.1728432292227766
Energy: 1.1975886954445742
Energy: 1.1724344904870099
Energy: 1.1949275331602915
Energy: 1.2261922842294797
Energy: 1.1624214090426601
Energy: 1.1654622318449248
Energy: 1.1705403705093829
Energy: 1.1607565723774986
Energy: 1.188393323033327
Energy: 1.2127770225049872
Energy: 1.1627927598111334
Energy: 1.1662431616726927
Energy: 1.1722447042920632
Energy: 1.1614770764165294
Energy: 1.1898139153699148
Energy: 1.1785608696188097
Energy: 1.172525622775237
Energy: 1.1737722905429455
Energy: 1.1783307451650973
Energy: 1.173697718281492
Energy: 1.1898805789782065
Energy: 1.2082849757286123
Energy: 1.1770829017789048
Energy: 1.1694440787687477
Energy: 1.2096115619901233
Energy: 1.1711389680207214
Energy: 1.1680376584392416
Energy: 1.1966149021379904
Energy: 1.1617940638799809
Energy: 1.157797795387859
Energy: 1.198095422960979
Energy: 1.1590610656146831
Energy: 1.1691706360376315
Energy: 1.2103259640150605
Energy: 1.1769250533471152
Energy: 1.1707029287155164
Energy: 1.1969511844687786
Energy: 1.175327864261754
Energy: 1.1978849263506997
Energy: 1.1631611878855037
Energy: 1.1729917932313494
Energy: 1.1904653210338032
Energy: 1.166213176866391
Energy: 1.1702869082975258
Energy: 1.167345332834558
Energy: 1.1547926553417056
Energy: 1.1969723539875432
Energy: 1.1942703656153049
Energy: 1.1600076211326185
Energy: 1.184822031069623
Energy: 1.1797108253230533
Energy: 1.2144848397198604
Energy: 1.1196196386908677
Energy: 1.1202924607649831
Energy: 1.1725568426219553
Energy: 1.1243470291606
Energy: 1.1757483700850901
Energy: 1.2288343480274924
Energy: 1.121218623364905
Energy: 1.1219943537541968
Energy: 1.178110061193007
Energy: 1.1203699214271572
Energy: 1.191694065960544
Energy: 1.1801207017396786
Energy: 1.1427415126083624
Energy: 1.1761939461838002
Energy: 1.1475754414682506
Energy: 1.1875541572980457
Energy: 1.1862310505530724
Energy: 1.1833491742789286
Energy: 1.1799164042925947
Energy: 1.1715886039608305
Energy: 1.1561581743957772
Energy: 1.1726921147057734
Energy: 1.1982217524961123
Energy: 1.2280666488059822
Energy: 1.1615460429774596
Energy: 1.1865175896893563
Energy: 1.1785939448745304
Energy: 1.160492407734259
Energy: 1.1901635011110923
Energy: 1.2261091060309286
Energy: 1.1619940753807096
Energy: 1.1659458310900217
Energy: 1.1702519687573996
Energy: 1.1660887050870636
Energy: 1.1712312274290637
Energy: 1.1822875055664381
Energy: 1.1616252822752104
Energy: 1.122380092436224
Energy: 1.1204533891924686
Energy: 1.154562414792752
Energy: 1.1220999895463688

minimum gb energy = 1.1189042240794205 eV
minimum distance =  2.27761602884903 Angstroms
sigma value = 33


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

Energy: 0.020313502294484743
Energy: 1.0944059653244729
Energy: 0.02118337485723171
Energy: 0.022906119599084007
Energy: 1.0964755262670591
Energy: 0.02090779885069509
Energy: 0.6202841775213085
Energy: 0.16802971825633947
Energy: 0.1654508409655563
Energy: 0.1666850328330942
Energy: 0.16686180649127194
Energy: 0.16502436152253133
Energy: 1.556982503162411
Energy: 1.0969816009689581
Energy: 1.0951218898799029
Energy: 1.091777647708078
Energy: 1.0962122323609136
Energy: 1.0946733158433597
Energy: 0.021113628615887618
Energy: 0.16802971825727503
Energy: 0.16545084096649182
Energy: 0.16668503283402974
Energy: 0.16686180649085613
Energy: 0.16502436152253133

minimum gb energy = 0.020313502294484743 eV
minimum distance =  2.45747536552497 Angstroms
sigma value = 1