Model name: model_name=EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520024351775646
cohesive_energy=4.422204084913661
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0873157187751997e-19, 2.93528372408604e-19, 3.573654982137e-19, 4.08976414124742e-19, 4.52147063527872e-19, 4.88990717403336e-19, 5.2083397800408595e-19, 5.48580472951698e-19, 5.72879083782942e-19, 5.942184743711879e-19, 6.1297675840206e-19, 6.294487363762139e-19, 6.43881143495286e-19, 6.5647104748525795e-19, 6.67388279069334e-19, 6.76772227614672e-19, 6.8474626072209e-19, 6.914145198727981e-19, 6.96868329134934e-19, 7.011893995168319e-19, 7.044498289670219e-19, 7.067105001975959e-19, 7.08030693744012e-19, 7.084600770819239e-19, 7.07998650211332e-19, 7.065086259417119e-19, 7.038105604900559e-19, 6.99689762187408e-19, 6.93888280595694e-19, 6.860984978011859e-19, 6.759551175313319e-19, 6.63006325975344e-19, 6.4671058743093e-19, 6.26396589888444e-19, 6.012456210879119e-19, 5.702290836303059e-19, 5.320652362084259e-19, 4.85126267362128e-19, 4.2733575617374794e-19, 3.56006852428068e-19, 2.6330651456146195e-19, 1.2595239238163218e-19, -6.84135831424536e-20, -3.2061797493627596e-19, -6.4372252800852e-19, -1.0628935920554038e-18, -1.61353606633506e-18, -2.34193362945048e-18, -3.34521663766128e-18, -4.81707222425172e-18, -7.10291364974586e-18, -1.0838949233738758e-17, -1.7359583829389998e-17, -2.9875787694198e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.0272614018 eV

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

Energy: 0.01798914842812236
Energy: 0.01860742836438175
Energy: 0.018416157054746085
Energy: 0.01828463226717106
Energy: 0.7099637666774798
Energy: 0.018417478446732905
Energy: 0.01860742836438175
Energy: 0.15492385771062736
Energy: 0.15471172909101497
Energy: 0.15484900451953715
Energy: 0.15493988610532158
Energy: 0.15633674215572743
Energy: 0.018416157054746085
Energy: 0.1547117290906842
Energy: 0.15614860433158143
Energy: 0.018414355333832715
Energy: 0.15521636534596733
Energy: 0.15560457143525827
Energy: 0.01828463226717106
Energy: 0.15484900451953715
Energy: 0.018414355333832715
Energy: 0.018283507101501943
Energy: 0.1551071918387469
Energy: 0.018472105588039866
Energy: 0.7099637666761935
Energy: 0.15493988610499082
Energy: 0.15521636534629807
Energy: 0.1551071918387469
Energy: 0.1550678622236742
Energy: 0.1551086436081111
Energy: 0.01841747844607139
Energy: 0.15633674215572743
Energy: 0.15560457143459677
Energy: 0.018472105588039866
Energy: 0.15510864360840512
Energy: 0.01820839666439332

minimum gb energy = 0.01798914842812236 eV
minimum distance =  2.48688312567692 Angstroms
sigma value = 1


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

Energy: 1.77573059877013
Energy: 1.1996054271699412
Energy: 1.1855276394560306
Energy: 1.194593655549373
Energy: 1.202830714761393
Energy: 1.1854273431151539
Energy: 1.8260056528211737
Energy: 1.183747500620957
Energy: 1.1438593260623842
Energy: 1.1443994868267062
Energy: 1.213266585904465
Energy: 1.1591567402473206
Energy: 1.8503642536631792
Energy: 1.150045055622396
Energy: 1.1205532038235662
Energy: 1.1197743060787415
Energy: 1.2134679579885432
Energy: 1.1208908922117817
Energy: 1.874146865218112
Energy: 1.1343251367390257
Energy: 1.1197662453614978
Energy: 1.1206100818358957
Energy: 1.134008411515375
Energy: 1.1200148253417876
Energy: 1.705289828700266
Energy: 1.1802750210432285
Energy: 1.180659566059659
Energy: 1.1861670116972007
Energy: 1.1803658137869273
Energy: 1.1621901026040504
Energy: 1.6578615694380674
Energy: 1.1598138249267094
Energy: 1.1599060851731997
Energy: 1.1620175922991747
Energy: 1.180178576675778
Energy: 1.1625529824173904
Energy: 1.6547544499395177
Energy: 1.1600684138437023
Energy: 1.1617967264441769
Energy: 1.1618998483342264
Energy: 1.1601590110506947
Energy: 1.1633527793922094
Energy: 1.6263277201688202
Energy: 1.1818820937810175
Energy: 1.1810839244927314
Energy: 1.1475449513650462
Energy: 1.1793435421246818
Energy: 1.1629958079446683
Energy: 1.3056993022352248
Energy: 1.1634172343922105
Energy: 1.162234277379771
Energy: 1.1799641442748408
Energy: 1.1609751858439845
Energy: 1.160907830764107
Energy: 1.3047899282905462
Energy: 1.1860545490884922
Energy: 1.185205137630776
Energy: 1.179992938855355
Energy: 1.1879880964583391
Energy: 1.184315280287603
Energy: 1.465923891375364
Energy: 1.132732011017809
Energy: 1.133196384312097
Energy: 1.258874390231677
Energy: 1.1328740524432501
Energy: 1.102594347377968
Energy: 1.214844764200448
Energy: 1.1201918606884744
Energy: 1.1209521131667675
Energy: 1.2146381337532088
Energy: 1.1087768915028213
Energy: 1.1208556742611064
Energy: 1.2133581732292844
Energy: 1.160014182477761
Energy: 1.159243379256386
Energy: 1.2134487102391887
Energy: 1.119838998044565
Energy: 1.1421553358246461
Energy: 1.2317455183292434
Energy: 1.1204364448052606
Energy: 1.1200773818432013
Energy: 1.1864698598543462
Energy: 1.1207665715457904
Energy: 1.1320573819393378
Energy: 1.2296506412937465
Energy: 1.1845350275506086
Energy: 1.1830764125886544
Energy: 1.1913706088684584
Energy: 1.166957197757913
Energy: 1.1731875329091435
Energy: 1.2304085157983722
Energy: 1.120708854238406
Energy: 1.120347126514202
Energy: 1.1920295629536821
Energy: 1.1206452025298714
Energy: 1.1204672074589221
Energy: 1.4496718703710132
Energy: 1.1603383379754646
Energy: 1.1601472968966626
Energy: 1.120792516425323
Energy: 1.160683025530544
Energy: 1.120947456176482
Energy: 1.4511062906732604
Energy: 1.1629319985782345
Energy: 1.1829626414687981
Energy: 1.1821775061595434
Energy: 1.1598117206956882
Energy: 1.1818879231831314
Energy: 1.4503424253528268
Energy: 1.1826186256838251
Energy: 1.181386931378709
Energy: 1.1819365102311343
Energy: 1.18499698111112
Energy: 1.1824851308495277
Energy: 1.697736269935453
Energy: 1.1832810541328147
Energy: 1.1826152500479532
Energy: 1.1852675178038867
Energy: 1.1851705899587461
Energy: 1.1820299880894913
Energy: 1.7654673094805113
Energy: 1.1210860921050583
Energy: 1.132879994511028
Energy: 1.1330762393084575
Energy: 1.159825746188466
Energy: 1.1332299310051117
Energy: 1.7644397684016753
Energy: 1.1385546058146334
Energy: 1.1208814470155113
Energy: 1.1341218169662335
Energy: 1.1937075811073103
Energy: 1.120585051672467
Energy: 1.7697377401366605
Energy: 1.1910943522176103
Energy: 1.1575532925798282
Energy: 1.1332799776261777
Energy: 1.190949775072372
Energy: 1.18303078478707

minimum gb energy = 1.102594347377968 eV
minimum distance =  2.28622047286912 Angstroms
sigma value = 33


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

Energy: 1.9382185249230839
Energy: 1.1665008771498022
Energy: 1.1666013404714772
Energy: 1.1700392493085905
Energy: 1.1518814894489708
Energy: 1.1666920190828431
Energy: 1.3899806605574228
Energy: 1.198980366795798
Energy: 1.1504323064365112
Energy: 1.1470461780458432
Energy: 1.1994714559929538
Energy: 1.1613591788241857
Energy: 1.655263005248004
Energy: 1.1993511451590542
Energy: 1.1992310698066684
Energy: 1.1591842959785559
Energy: 1.199256716527601
Energy: 1.1506323092981299
Energy: 1.6515926661356228
Energy: 1.1994938803330788
Energy: 1.1510617794748115
Energy: 1.1639643551054817
Energy: 1.1993349694091449
Energy: 1.1636699527376955
Energy: 1.5288684431639714
Energy: 1.21345881992
Energy: 1.212185613613511
Energy: 1.2136005954423807
Energy: 1.2145671073714877
Energy: 1.1805279746767838
Energy: 1.6545670542206459
Energy: 1.162609394415181
Energy: 1.1614227184842667
Energy: 1.1675719007639422
Energy: 1.2136212904807993
Energy: 1.1607685372840044
Energy: 1.653451901175443
Energy: 1.1647765305230404
Energy: 1.1683020607972918
Energy: 1.1676941290398173
Energy: 1.1616191762526225
Energy: 1.168035370495021
Energy: 1.5265667801467653
Energy: 1.2111630497968664
Energy: 1.207714394085023
Energy: 1.2218016482217364
Energy: 1.2066650026554184
Energy: 1.2080267790134482
Energy: 1.2908014815228768
Energy: 1.20600669684433
Energy: 1.1613098866461606
Energy: 1.2132415721373222
Energy: 1.206045470358984
Energy: 1.215123011735394
Energy: 1.291069108527746
Energy: 1.2119221085021608
Energy: 1.2115260877305827
Energy: 1.2124554296136767
Energy: 1.2124426096040746
Energy: 1.221260030918878
Energy: 1.3242402741074535
Energy: 1.083551309250718
Energy: 1.0835732357549102
Energy: 1.2072225259840235
Energy: 1.0839980507065812
Energy: 1.0839228160657686
Energy: 1.198922163531466
Energy: 1.1007928991854161
Energy: 1.1610435667013383
Energy: 1.199161493321606
Energy: 1.0996573228615807
Energy: 1.112153243860941
Energy: 1.1995129059308298
Energy: 1.2119645573896083
Energy: 1.1231242049404078
Energy: 1.1994174983407841
Energy: 1.2121613215030107
Energy: 1.1991383406795024
Energy: 1.34914216698823
Energy: 1.1639708497016867
Energy: 1.163938583022298
Energy: 1.199030842746147
Energy: 1.1641062567551657
Energy: 1.106791950071434
Energy: 1.289045474649722
Energy: 1.2125339422639518
Energy: 1.2166727844385379
Energy: 1.2136577688402428
Energy: 1.2125648951898
Energy: 1.2209630529938456
Energy: 1.2909427721731317
Energy: 1.1599217444008858
Energy: 1.1605649067213446
Energy: 1.2133912340123
Energy: 1.167473234175333
Energy: 1.1611590689046645
Energy: 1.5239444740389183
Energy: 1.1679285091174836
Energy: 1.1678929453982188
Energy: 1.1114142774983082
Energy: 1.1679078007829795
Energy: 1.1681778664688602
Energy: 1.3891461306926611
Energy: 1.2221104354543213
Energy: 1.1688724587280424
Energy: 1.2063046450690318
Energy: 1.2213355265502073
Energy: 1.2068628506484154
Energy: 1.3893795619132727
Energy: 1.2135101362901197
Energy: 1.2140587856154292
Energy: 1.2059996068864585
Energy: 1.2132002602584382
Energy: 1.1609217065354303
Energy: 1.5245104920981671
Energy: 1.212357017052266
Energy: 1.2122785859935419
Energy: 1.2142227581049092
Energy: 1.2147516506153218
Energy: 1.2124625198934114
Energy: 1.900463532245878
Energy: 1.1601507880986528
Energy: 1.083522605703646
Energy: 1.083650774831392
Energy: 1.160297098335818
Energy: 1.0833587048154967
Energy: 1.896753410073778
Energy: 1.1991727201697093
Energy: 1.1512804486719408
Energy: 1.0835373141938742
Energy: 1.1990597881736182
Energy: 1.1616965649319162
Energy: 1.1581754572890337
Energy: 1.1995483050858406
Energy: 1.1994532291822437
Energy: 1.2126642777974
Energy: 1.1995924567851708
Energy: 1.1102367354598408
Energy: 1.663084254859377
Energy: 1.301714137603855
Energy: 1.1511575716319002
Energy: 1.1650157233777436
Energy: 1.3009951030515183
Energy: 1.1395661826484569
Energy: 1.5236731918514124
Energy: 1.2211045520138843
Energy: 1.2208551347702212
Energy: 1.2120827478894673
Energy: 1.2227211809638698
Energy: 1.168749455889354
Energy: 1.6569525366525355
Energy: 1.2128422254156512
Energy: 1.1615081056230814
Energy: 1.1674256147754594
Energy: 1.2124523899434645
Energy: 1.1605289164315762
Energy: 1.6521652566177634
Energy: 1.1699670319266593
Energy: 1.1681233640001984
Energy: 1.1679811150395183
Energy: 1.1126349096823336
Energy: 1.1678660026812822
Energy: 1.528487190544977
Energy: 1.2059292791213068
Energy: 1.2080689534953142
Energy: 1.2133749647123497
Energy: 1.205986210587637
Energy: 1.1673275030239039
Energy: 1.290578576255305
Energy: 1.2114898233992115
Energy: 1.2076113181570136
Energy: 1.2145062194613243
Energy: 1.2060797789943445
Energy: 1.1609397255064542
Energy: 1.2904373638188538
Energy: 1.2115608279433514
Energy: 1.2108332984983285
Energy: 1.2142148855024144
Energy: 1.2122205977839247
Energy: 1.212598517747064
Energy: 1.519751269021366
Energy: 1.0834788516935443
Energy: 1.0833536089037197
Energy: 1.1510845308443793
Energy: 1.0837132735763995
Energy: 1.0829838812240185
Energy: 1.1989762669823198
Energy: 1.083966605662866
Energy: 1.0834183123238617
Energy: 1.1990827008613942
Energy: 1.0840637140223779
Energy: 1.161225621096016
Energy: 1.2002089230659503
Energy: 1.2110616701338501
Energy: 1.1796085912364838
Energy: 1.2001590722267648
Energy: 1.2113296258018074
Energy: 1.1994748789233676
Energy: 1.1992787185354934
Energy: 1.1640315362651215
Energy: 1.1646469536657733
Energy: 1.199673258527261
Energy: 1.164423581121981
Energy: 1.1062139715749992
Energy: 1.2892296773964742
Energy: 1.2109976391439674
Energy: 1.2154092210543197
Energy: 1.1647814554101708
Energy: 1.2122901748221402
Energy: 1.2207325446491757
Energy: 1.28915628071952
Energy: 1.1601937963398135
Energy: 1.1606458923079188
Energy: 1.2134833894553259
Energy: 1.1599720010405872
Energy: 1.1612615719705646
Energy: 1.289055964022141
Energy: 1.1679967280615489
Energy: 1.1680095565259978
Energy: 1.1407357395242717
Energy: 1.1680370756643488
Energy: 1.16794102354705
Energy: 1.3891936288472286
Energy: 1.2144323013909486
Energy: 1.1625971515941853
Energy: 1.2060430643738027
Energy: 1.2137833421251547
Energy: 1.1808372234802038
Energy: 1.3892151843131533
Energy: 1.2127834820747077
Energy: 1.2191918568196203
Energy: 1.206682553437207
Energy: 1.2129265000317617
Energy: 1.2064267048719426
Energy: 1.5248328175909762
Energy: 1.2130107995837138
Energy: 1.2143370073807864
Energy: 1.1781178798450893
Energy: 1.2132464711506885
Energy: 1.2114734722573592
Energy: 1.9044765939078496
Energy: 1.1604132279896389
Energy: 1.0828611794351215
Energy: 1.084125406977668
Energy: 1.1508307428254807
Energy: 1.0830697239150648

minimum gb energy = 1.0828611794351215 eV
minimum distance =  2.33385577579217 Angstroms
sigma value = 51


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

Energy: 1.8343660983812478
Energy: 1.3336579186970294
Energy: 1.3336875534468575
Energy: 1.2227972674747343
Energy: 1.3349908401445898
Energy: 1.2034631998248886
Energy: 1.510078971324121
Energy: 1.2378436181268373
Energy: 1.2376536077394356
Energy: 1.1357274267916
Energy: 1.237734482482159
Energy: 1.222212963630716
Energy: 1.672990159974461
Energy: 1.2380865912531012
Energy: 1.237623683385038
Energy: 1.1721001966054931
Energy: 1.2380722339160206
Energy: 1.1503385879975658
Energy: 1.6692831916090713
Energy: 1.1499524336369507
Energy: 1.1509203431059485
Energy: 1.1701790412523356
Energy: 1.1994490389479477
Energy: 1.1568790524651393
Energy: 1.27022669755015
Energy: 1.2304718615499437
Energy: 1.2299885641633748
Energy: 1.234283750378435
Energy: 1.23349986875886
Energy: 1.2292924621802055
Energy: 1.4170537982393467
Energy: 1.2354630981172015
Energy: 1.2065874408720794
Energy: 1.2341634950979552
Energy: 1.2342701589634661
Energy: 1.2292598185277035
Energy: 1.4168704417405553
Energy: 1.2036116753891077
Energy: 1.2297405196871665
Energy: 1.2341152706760457
Energy: 1.2076751580688097
Energy: 1.233041564977572
Energy: 1.43623568644319
Energy: 1.1626735202035572
Energy: 1.126874216302952
Energy: 1.1979610917899286
Energy: 1.1496008041634083
Energy: 1.1275893461324455
Energy: 1.2380959185310403
Energy: 1.1281297356204392
Energy: 1.1284472254700588
Energy: 1.2375489695445818
Energy: 1.1489493906906856
Energy: 1.1629441550728836
Energy: 1.2379612891596878
Energy: 1.1830608129751632
Energy: 1.2320981059355784
Energy: 1.2380050730613659
Energy: 1.1882464460008137
Energy: 1.2375479285250435
Energy: 1.2383075457141202
Energy: 1.1840880547735069
Energy: 1.1588858873230008
Energy: 1.2385101118364001
Energy: 1.197429906109911
Energy: 1.1481207228367678
Energy: 1.2670486205432738
Energy: 1.2094616161468017
Energy: 1.2323768599319798
Energy: 1.2014682090194162
Energy: 1.1577546374237808
Energy: 1.2318806375778395
Energy: 1.2669187614873085
Energy: 1.1614969831865383
Energy: 1.162763039797827
Energy: 1.2319306456902321
Energy: 1.1612242294477697
Energy: 1.192189733921788
Energy: 1.267385799287359
Energy: 1.1723261035816843
Energy: 1.1723155102875693
Energy: 1.1533432980923437
Energy: 1.1725975227212944
Energy: 1.1856261226429208
Energy: 1.5093056768348136
Energy: 1.16547312039874
Energy: 1.1657858664931846
Energy: 1.1858153438866148
Energy: 1.1656004731391834
Energy: 1.1608311257521133
Energy: 1.5096845165493278
Energy: 1.232220937122491
Energy: 1.1666055187254303
Energy: 1.1850574164248842
Energy: 1.2324203197021297
Energy: 1.1856564590479926
Energy: 1.7039899978969597
Energy: 1.2325698833029406
Energy: 1.231820558190894
Energy: 1.172331976042413
Energy: 1.2327256277774727
Energy: 1.2315612854585107
Energy: 1.82517100161808
Energy: 1.1915293590643454
Energy: 1.1586991453112654
Energy: 1.1485904400278328
Energy: 1.2382912136860857
Energy: 1.1570300870304735

minimum gb energy = 1.126874216302952 eV
minimum distance =  2.29896577546375 Angstroms
sigma value = 19


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

Energy: 1.553321871250354
Energy: 1.1399585484603276
Energy: 1.1388980763901708
Energy: 1.3356147829125078
Energy: 1.1217881582130904
Energy: 1.1385418606865747
Energy: 1.5589946660091132
Energy: 1.1420781250241319
Energy: 1.142040993539597
Energy: 1.1713673970793717
Energy: 1.1422455503992694
Energy: 1.1421876719723332
Energy: 1.683495454994505
Energy: 1.1422963419062881
Energy: 1.1423105101183644
Energy: 1.1164000268095922
Energy: 1.1422010833604808
Energy: 1.1423894602298317
Energy: 1.3351218007238426
Energy: 1.1423872379211513
Energy: 1.1418374300198533
Energy: 1.163408210045586
Energy: 1.142167422329781
Energy: 1.1418376976975115
Energy: 1.6832128827061807
Energy: 1.1859786403707786
Energy: 1.1851082426142616
Energy: 1.1730970593617456
Energy: 1.17319033804625
Energy: 1.1857429315740609
Energy: 1.3421257053896851
Energy: 1.109513125618514
Energy: 1.185306077520316
Energy: 1.1729632375789139
Energy: 1.1092278033631837
Energy: 1.1685924498338787
Energy: 1.3377916652981647
Energy: 1.1859226398425196
Energy: 1.1700861297684109
Energy: 1.1721754312787964
Energy: 1.1192802745815136
Energy: 1.1698380854304085
Energy: 1.3056295182999489
Energy: 1.0745705344580847
Energy: 1.074744555573765
Energy: 1.1345753438214945
Energy: 1.0738183338227254
Energy: 1.0746266148455232
Energy: 1.1419464890734912
Energy: 1.0730088184983513
Energy: 1.0727428853445808
Energy: 1.1419737583960095
Energy: 1.0731378353883678
Energy: 1.0978754545533047
Energy: 1.1417966434371138
Energy: 1.1347847268431546
Energy: 1.1422116673070344
Energy: 1.1421115414897594
Energy: 1.1721625266405968
Energy: 1.1422949198652215
Energy: 1.1422858552757333
Energy: 1.1645910759265778
Energy: 1.164618168876448
Energy: 1.14233919462489
Energy: 1.1639573503824414
Energy: 1.1417640872648473
Energy: 1.3379976613590068
Energy: 1.1728237068403087
Energy: 1.1849753903844007
Energy: 1.1418200417110305
Energy: 1.172163913180704
Energy: 1.1415570637429822
Energy: 1.1100184323729998
Energy: 1.1709314112728606
Energy: 1.1699880006260335
Energy: 1.1097898050308028
Energy: 1.1721794359325997
Energy: 1.174119999985301
Energy: 1.3379291012545458
Energy: 1.1729416565906061
Energy: 1.1722464416207148
Energy: 1.1359734357449074
Energy: 1.1747397046448005
Energy: 1.1712303346428752
Energy: 1.5575902461360644
Energy: 1.1417686531014979
Energy: 1.1357819175342732
Energy: 1.0732550095931401
Energy: 1.1419468010253453
Energy: 1.0729541457168366
Energy: 1.5610282255385437
Energy: 1.1419753121417167
Energy: 1.0749822205723627
Energy: 1.0740206293851289
Energy: 1.1420900647871357
Energy: 1.0752922673029868
Energy: 1.682218725015628
Energy: 1.1422971681525924
Energy: 1.1423587766109127
Energy: 1.1720525831768798
Energy: 1.1419552025788184
Energy: 1.1420366125060002
Energy: 1.3324529655807287
Energy: 1.1422241680195986
Energy: 1.142331832611593
Energy: 1.163377326915349
Energy: 1.1422404710713217
Energy: 1.142589102226042
Energy: 1.3322865720768413
Energy: 1.142225838294401
Energy: 1.1422535293496443
Energy: 1.1634088461466467
Energy: 1.142016148701665
Energy: 1.1423059138311502
Energy: 1.3386252629161308
Energy: 1.1092902397549986
Energy: 1.186210958002947
Energy: 1.173504657398884
Energy: 1.1092913396395347
Energy: 1.1852837771817988
Energy: 1.335330712278079
Energy: 1.1713973469937944
Energy: 1.1708519206803991
Energy: 1.172852942839449
Energy: 1.1856202804726077
Energy: 1.1720742806277136
Energy: 1.3381116580912977
Energy: 1.1850904492425336
Energy: 1.1855274741214292
Energy: 1.172315006937962
Energy: 1.1705169954144061
Energy: 1.1708035381327997
Energy: 1.3057978733976694
Energy: 1.0749790924294806
Energy: 1.0757170719727285
Energy: 1.3283357681673211
Energy: 1.0739805896069756
Energy: 1.0716579705791158
Energy: 1.1420933357389609
Energy: 1.1352119599485748
Energy: 1.1422818999658164
Energy: 1.1423243282142843
Energy: 1.0731149043837167
Energy: 1.142023093238787
Energy: 1.1422376533927812
Energy: 1.1349204874419443
Energy: 1.142299967600385
Energy: 1.1423733583368396
Energy: 1.1365081951226517
Energy: 1.142331332997427
Energy: 1.3064861296497456
Energy: 1.163428044029207
Energy: 1.1637036732187804
Energy: 1.1417606767534423
Energy: 1.1635804390679991
Energy: 1.1418685263270636
Energy: 1.337325371811443
Energy: 1.1723776873915523
Energy: 1.1851792372861072
Energy: 1.1730690350624182
Energy: 1.172517279268929
Energy: 1.1856976706444777
Energy: 1.1095551498131884
Energy: 1.1717370896485944
Energy: 1.1695713287888478
Energy: 1.1094370203625146
Energy: 1.1723475144942415
Energy: 1.1693263830464957
Energy: 1.3393369538040913
Energy: 1.1715062279757968
Energy: 1.170386959524865
Energy: 1.119604586972728
Energy: 1.1721361652445128
Energy: 1.169097399121188
Energy: 1.5580984400001514
Energy: 1.1352398311876029
Energy: 1.0732094041378433
Energy: 1.0729761260886315
Energy: 1.141558747233613
Energy: 1.0743260962514065

minimum gb energy = 1.0716579705791158 eV
minimum distance =  2.35499968173448 Angstroms
sigma value = 27


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

Energy: 1.3338114931724372
Energy: 1.3439973953263629
Energy: 1.3442731799976633
Energy: 1.1852123774817869
Energy: 1.1978780501284785
Energy: 1.3415601115471436
Energy: 1.066602001580729
Energy: 1.1417356481396739
Energy: 1.1418491432603892
Energy: 1.0573269876002078
Energy: 1.141738241086371
Energy: 1.093209206700816
Energy: 1.2027730196773596
Energy: 1.142290454679518
Energy: 1.1424658153494143
Energy: 1.0581657669805935
Energy: 1.1431050210147518
Energy: 1.093199247006005
Energy: 1.0667066453793101
Energy: 1.142543779754858
Energy: 1.0865113393126518
Energy: 1.0589458909782563
Energy: 1.1423634222621932
Energy: 1.0572685961354915
Energy: 1.3353588058030552
Energy: 0.9931435004944984
Energy: 1.0555456248522483
Energy: 1.142583000732164
Energy: 0.9922659652281467
Energy: 1.0566770026583225
Energy: 1.1418188219490712
Energy: 0.9935071389248084
Energy: 0.9937563655792779
Energy: 1.1418582666639636
Energy: 0.9929559858206268
Energy: 0.9938627142378459
Energy: 1.143296497018711
Energy: 1.0563183207728233
Energy: 1.095311735331194
Energy: 1.1434247017806811
Energy: 1.056653270583398
Energy: 1.1417780648720157
Energy: 1.1423937242124778
Energy: 1.0515559788712794
Energy: 1.051756675170847
Energy: 1.1422862024692093
Energy: 1.052104793527578
Energy: 1.0529060528117322
Energy: 1.2030632833963495
Energy: 1.0516625021372157
Energy: 1.059455615308018
Energy: 1.1417220494510796
Energy: 1.0524428952584852
Energy: 1.0930824055805561
Energy: 1.0667549782959644
Energy: 1.084813026065798
Energy: 1.082809987453571
Energy: 1.0847114728905565
Energy: 1.0849874961192765
Energy: 1.083094339011304
Energy: 1.202863173227672
Energy: 1.0859562007628127
Energy: 1.0881470650627045
Energy: 1.0849704173619097
Energy: 1.1357919677451567
Energy: 1.0861914286038699
Energy: 1.066602001390227
Energy: 1.0946898887733967
Energy: 1.0931383801520997
Energy: 1.056809573204623
Energy: 1.0854025644015663
Energy: 1.0933304855456434

minimum gb energy = 0.9922659652281467 eV
minimum distance =  2.31753443536014 Angstroms
sigma value = 9


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

Energy: 2.1073605872942736
Energy: 1.1879123013324624
Energy: 1.2469147886184653
Energy: 1.111339605674544
Energy: 1.4174123366640603
Energy: 1.2441730165368567
Energy: 1.4178881492294972
Energy: 0.9895139657832702
Energy: 0.9877337049758517
Energy: 0.9803826224684201
Energy: 0.9899755511357042
Energy: 0.9791096612453473
Energy: 1.0276291246333082
Energy: 0.9907105910039572
Energy: 0.9897459984837477
Energy: 1.0017045656559216
Energy: 0.9914150841298015
Energy: 0.9934126313854592
Energy: 1.3237672390437254
Energy: 0.9664388604969734
Energy: 0.9831146445988423
Energy: 0.9850964320033733
Energy: 0.9827747969578131
Energy: 0.9584876587258103
Energy: 1.428723986271183
Energy: 0.9784893344133369
Energy: 0.9791735126752029
Energy: 1.0176671533597381
Energy: 1.0063535941742079
Energy: 1.004402701887612
Energy: 1.0174345690076725
Energy: 0.8971640701363421
Energy: 0.9795245090476976
Energy: 1.0174296125694247
Energy: 0.8967982056107172
Energy: 0.9830255008952261
Energy: 1.0186293001998477
Energy: 0.9661455757990496
Energy: 0.9651590129901404
Energy: 1.019599496294051
Energy: 0.9651460959058976
Energy: 1.0173179769747238
Energy: 1.0179363806119603
Energy: 0.9533259383617505
Energy: 1.0045140961279428
Energy: 1.0181604967120894
Energy: 0.9515734696352478
Energy: 1.037964431029077
Energy: 1.4513912950149834
Energy: 1.0016460920662265
Energy: 1.0286091966524196
Energy: 1.013549487922291
Energy: 1.0092902923889848
Energy: 1.048477079124476
Energy: 1.527336312139012
Energy: 1.0008922436229113
Energy: 0.982428636739485
Energy: 0.9718723950545392
Energy: 1.0123835093996152
Energy: 0.9457844223066855
Energy: 1.5255663777573834
Energy: 1.0179684288999065
Energy: 1.01850183209338
Energy: 1.0014605159192664
Energy: 1.0178009435815503
Energy: 0.9928575848663715
Energy: 1.435134873548365
Energy: 1.0178360640638997
Energy: 1.017752460825118
Energy: 0.9827201722467462
Energy: 1.0182058796122013
Energy: 1.0013713827435726
Energy: 1.5483467732941159
Energy: 1.0420528969540406
Energy: 1.1659443488724708
Energy: 0.9704444781289138
Energy: 1.1481717216616156
Energy: 1.0609894942815676
Energy: 1.4356882049386177
Energy: 1.01737121266841
Energy: 1.0017120354801115
Energy: 0.9825105519410372
Energy: 1.0173807675270852
Energy: 1.0066187538051425
Energy: 0.9889408847666574
Energy: 0.9960405994340454
Energy: 0.997312135458431
Energy: 0.9888922405959203
Energy: 0.9960616487807576
Energy: 0.9692663350541034
Energy: 0.98993522546612
Energy: 0.9560414763393748
Energy: 0.9701578642667343
Energy: 0.9909078560037881
Energy: 1.0068795497241099
Energy: 1.00817875005437
Energy: 0.9894490309500389
Energy: 0.9635040087461479
Energy: 0.9642475706538155
Energy: 0.9896771999847965
Energy: 0.9808004252957845
Energy: 0.9855747061763909
Energy: 1.1854898387569448
Energy: 0.9672168396028832
Energy: 0.9652781840659974
Energy: 0.989230116487155
Energy: 0.9699197314204953
Energy: 0.9896404240130035
Energy: 1.028705421734254
Energy: 0.9810600395887883
Energy: 0.9798266803040174
Energy: 0.9894365026879122
Energy: 0.9798218430580227
Energy: 0.9902173249151595
Energy: 1.0293649882587692
Energy: 0.9798654335838147
Energy: 0.9587425551655087
Energy: 0.978088128139469
Energy: 0.978075720790421
Energy: 0.9374072835384066
Energy: 1.0290608614258627
Energy: 0.9803849241336016
Energy: 0.966707583829036
Energy: 0.9848362387818491
Energy: 0.9798781270007808
Energy: 0.9370357843622067
Energy: 1.4517616309890644
Energy: 0.9891951801779452
Energy: 1.0187427015528667
Energy: 1.007384592680823
Energy: 0.9893877981027909
Energy: 1.040275266887281
Energy: 1.4533085606725913
Energy: 0.9898862216436173
Energy: 1.031170697183348
Energy: 1.007307934834252
Energy: 0.9900912986908489
Energy: 0.9445197790054196
Energy: 1.0285993795216584
Energy: 0.9905830223933833
Energy: 0.990396618835905
Energy: 1.0134280056775153
Energy: 0.9915746435156912
Energy: 0.9952307240113131
Energy: 1.3464507789789375
Energy: 0.9656259259681056
Energy: 0.9678240489601034
Energy: 0.953711812609331
Energy: 0.9891510211797454
Energy: 1.0195314912441837
Energy: 1.2760513441345276
Energy: 0.9828406912260764
Energy: 1.0070711062728817
Energy: 1.0136355272080686
Energy: 0.9830112462806753
Energy: 1.0051502010323852
Energy: 1.1753845358985322
Energy: 0.979565233181108
Energy: 1.0042458112897301
Energy: 1.2079600913888877
Energy: 0.8981732306345839
Energy: 0.9431497594622639
Energy: 1.0182360400604786
Energy: 0.965700598197571
Energy: 0.9655804075673257
Energy: 1.0182159510561175
Energy: 0.9833656470750489
Energy: 1.0183138880331657
Energy: 1.0182576996165453
Energy: 0.9654333877345611
Energy: 0.9667666558601201
Energy: 1.0184463411878117
Energy: 1.0077888307912541
Energy: 1.0398061754764276
Energy: 1.2980443881219939
Energy: 0.989185297127318
Energy: 0.9665760142875547
Energy: 1.00179998855432
Energy: 0.9514551546378635
Energy: 0.9856027261443041
Energy: 0.9515341512042063
Energy: 1.002487243898679
Energy: 1.0388204476531122
Energy: 1.001826640600925
Energy: 1.0127279489707754
Energy: 0.9879323734563876
Energy: 1.531574150767051
Energy: 1.0173142287709642
Energy: 1.036702319945286
Energy: 0.9701137970376263
Energy: 1.016913694507963
Energy: 0.9461632788242866
Energy: 1.436507702319768
Energy: 1.0182168531831617
Energy: 1.0177918845354996
Energy: 0.9679837585960569
Energy: 1.0186891659943198
Energy: 0.966623141937727
Energy: 1.2353300422879057
Energy: 1.0175162552000239
Energy: 1.0184929137430312
Energy: 0.9754362719805655
Energy: 1.0173466097617163
Energy: 0.9960710955774243
Energy: 1.2327624553192522
Energy: 1.0176284917006622
Energy: 1.0008978552984042
Energy: 1.00830568176439
Energy: 1.0178010495513004
Energy: 1.0024668073338168
Energy: 1.0359328057849857
Energy: 0.9899936043794783
Energy: 0.9831061490875369
Energy: 1.0063913734573195
Energy: 0.9944506867588936
Energy: 0.9830792145249501
Energy: 0.9899592206391449
Energy: 0.9825228302818549
Energy: 0.9640270987183042
Energy: 0.991087666324331
Energy: 1.0020011136655977
Energy: 0.9840216883467362
Energy: 0.9896333756478163
Energy: 0.9794024966125688
Energy: 0.9879097528904581
Energy: 0.989657957206909
Energy: 0.981125226307817
Energy: 0.965791044762906
Energy: 0.9885861109040821
Energy: 0.9647019042214583
Energy: 1.0690286705965861
Energy: 0.9888713661001212
Energy: 0.9705526699352132
Energy: 0.9866353467897009
Energy: 1.0275154549364598
Energy: 0.9790598146941383
Energy: 0.9901120182245535
Energy: 0.9898522945873238
Energy: 0.9797735954170373
Energy: 0.9613658729035804
Energy: 1.0263210389864865
Energy: 0.9566996815529374
Energy: 0.956018677540813
Energy: 0.9786448766620498
Energy: 0.9808302994217719
Energy: 0.9545575027351435
Energy: 1.0288659543146554
Energy: 0.9804242381949162
Energy: 0.9841973824494965
Energy: 0.9661212024706216
Energy: 0.9790298251352804
Energy: 0.9639394156378366
Energy: 1.4532445257831763
Energy: 0.9898671657269856
Energy: 0.9853138097349365
Energy: 1.0076233697259669
Energy: 0.9891396181407325
Energy: 0.9441914799207972

minimum gb energy = 0.8967982056107172 eV
minimum distance =  2.3113865645715 Angstroms
sigma value = 57


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

Energy: 0.8215565074557535
Energy: 0.7706959667188377
Energy: 0.4953799487677414
Energy: 0.49602512913576396
Energy: 0.8345248455582386
Energy: 0.7903737963247964
Energy: 0.789663882987218
Energy: 0.8465782182360063
Energy: 0.8509353828879959
Energy: 0.8853345690054939
Energy: 0.8872608899765163
Energy: 0.8609978138618891
Energy: 1.0274923986399005
Energy: 1.08251414020417
Energy: 1.0209629401374132
Energy: 0.8591802015051037
Energy: 0.8697209996942459
Energy: 1.048225040446348
Energy: 1.025206117896271
Energy: 1.0754226238750837
Energy: 1.022995241426553
Energy: 0.9989350186876683
Energy: 1.0318117160392086
Energy: 1.0136361806381633
Energy: 1.0280659107662933
Energy: 0.6546789608709068
Energy: 0.6242007013865376
Energy: 1.0224955035512404
Energy: 0.4951439312992476
Energy: 0.9963524939778436
Energy: 1.0301520432440536
Energy: 0.6560412719688373
Energy: 0.6611085297134599
Energy: 1.0276070647568853
Energy: 0.4945259486500906
Energy: 0.5284881571510693
Energy: 1.0630243114649252
Energy: 1.022512328416814
Energy: 1.0334162064604826
Energy: 1.0593938383911594
Energy: 1.0262843153049581
Energy: 1.031301428842224
Energy: 1.1119070308887313
Energy: 1.0463798330457923
Energy: 1.0526634963789956
Energy: 1.0834239976133964
Energy: 1.0469993314818657
Energy: 1.0566578629896861
Energy: 1.0934300929122582
Energy: 1.0582117504230024
Energy: 1.0583619125108852
Energy: 1.106309258336457
Energy: 1.088184857836465
Energy: 1.073131929338393
Energy: 0.4935997739378221
Energy: 1.0781077977065272
Energy: 0.49629093573673577
Energy: 0.4940583291806607
Energy: 1.148236684859082
Energy: 0.5267019229728049
Energy: 0.4936837958188003
Energy: 1.0920504172918157
Energy: 1.0939896788907473
Energy: 0.49431758241782764
Energy: 1.0712417512786303
Energy: 0.49647373355058017
Energy: 1.0943436677664948
Energy: 1.0886874758100418
Energy: 1.0642999035834126
Energy: 1.0493879218784852
Energy: 1.069510300907664
Energy: 1.0496200242663363
Energy: 1.1339888822528088
Energy: 1.098761140006961
Energy: 1.1004837852894702
Energy: 1.102879820456478
Energy: 1.104422850682142
Energy: 1.109367582598121
Energy: 1.0928079649856481
Energy: 1.0445112157688077
Energy: 1.0303372222683111
Energy: 1.0588846824606182
Energy: 1.0399680900474175
Energy: 1.0339785328767543
Energy: 1.0835321891326737
Energy: 0.49502701291278667
Energy: 0.49574882264124226
Energy: 1.0404376676979754
Energy: 0.6563248116152991
Energy: 0.6576785627830168
Energy: 1.0329097564591054
Energy: 0.9989662637722314
Energy: 1.0103740310701468
Energy: 0.9938317381234967
Energy: 0.655783983110816
Energy: 1.0008668899698185
Energy: 1.0633234605027824
Energy: 1.0101437023695248
Energy: 1.0076749532696907
Energy: 1.0008643492563678
Energy: 1.0636717951807533
Energy: 1.0333505074898828
Energy: 1.1221835337617938
Energy: 0.8791482454976673
Energy: 0.862374629438225
Energy: 0.8688459350218158
Energy: 0.857852043140409
Energy: 0.8802746093023806
Energy: 0.7900910408911616
Energy: 0.8449416933992663
Energy: 0.8455322694596971
Energy: 0.4944393158755536
Energy: 0.8453049650373962
Energy: 0.8460006713173781

minimum gb energy = 0.4935997739378221 eV
minimum distance =  2.28592632234588 Angstroms
sigma value = 11


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

Energy: 1.5214168459272162
Energy: 1.2260173963312333
Energy: 0.8671921777926604
Energy: 0.8787430814913992
Energy: 0.8910413546037939
Energy: 0.8684704292357631
Energy: 0.8671653846433235
Energy: 0.8426569653632424
Energy: 0.8458734806633069
Energy: 0.8426912643329916
Energy: 0.859946269199696
Energy: 0.8487902727027522
Energy: 0.8374196001006396
Energy: 0.8451653119581197
Energy: 0.8478097393249225
Energy: 0.8405046377724503
Energy: 0.8441768427537667
Energy: 0.8375461023586613
Energy: 0.8386292229618879
Energy: 0.857741678595879
Energy: 0.8615844872407077
Energy: 0.840880175436262
Energy: 0.8459079731924106
Energy: 0.838029850875351
Energy: 0.8381191515137013
Energy: 0.9349428837903732
Energy: 0.8868859658575379
Energy: 0.8552882507292393
Energy: 0.8524425908052851
Energy: 0.8466526261615359
Energy: 1.1245176449090681
Energy: 0.9046714250915598
Energy: 0.899517397409667
Energy: 0.8427602237044723
Energy: 0.8553269466031251
Energy: 0.8846862622495795
Energy: 1.0664377097980644
Energy: 0.8422002970449244
Energy: 0.8451510158610646
Energy: 0.8406038947467706
Energy: 0.8403181503455214
Energy: 0.8380375205640688
Energy: 0.8600972041403662
Energy: 0.9295364690548608
Energy: 0.9306810038723704
Energy: 0.8743900583577345
Energy: 0.9269047293513561
Energy: 0.9283655851315257
Energy: 1.123298017691349
Energy: 0.8844044163524879
Energy: 0.900401721661365
Energy: 0.8534055236437882
Energy: 0.8408137442690966
Energy: 0.8480332289675696
Energy: 1.403190084702429
Energy: 0.8818210687219319
Energy: 0.8849865734733285
Energy: 0.9239394848052318
Energy: 0.8802600157707249
Energy: 0.8989094676982347
Energy: 1.4960030947288168
Energy: 0.8802009013315405
Energy: 0.8833463679434947
Energy: 0.9102781361244906
Energy: 0.8808032353978889
Energy: 0.8863616954547363
Energy: 1.2396040448062349
Energy: 0.8128304458307481
Energy: 0.836989373100153
Energy: 0.9378419187539411
Energy: 0.8155942950569447
Energy: 0.8584187521109857
Energy: 1.051886032756898
Energy: 0.8132442507770874
Energy: 0.8123401217764425
Energy: 0.9956201864073898
Energy: 0.8162568547147726
Energy: 0.8608690142856399
Energy: 1.0488309863726137
Energy: 0.9369882792265841
Energy: 0.9367374177231773
Energy: 0.8642981559527196
Energy: 0.9393472512978142
Energy: 0.9360804321701081
Energy: 1.0458372220829715
Energy: 1.0183627491657847
Energy: 1.0169769913776285
Energy: 0.9556903750346671
Energy: 1.0786552174319952
Energy: 0.8980119866726817
Energy: 1.4961412180331157
Energy: 0.9386955334021111
Energy: 0.9366219840121964
Energy: 0.8939859121284811
Energy: 0.9435486489735658
Energy: 0.9372616215895957
Energy: 1.2842077323289576
Energy: 0.8969464243071635
Energy: 0.8552204496004812
Energy: 1.115199765047723
Energy: 0.9148967289004099
Energy: 0.8609491469359563
Energy: 1.4831201142189883
Energy: 0.8941635593131436
Energy: 0.9402579172420883
Energy: 0.9029741553620632
Energy: 0.8938651089944051
Energy: 0.9374344912336141
Energy: 1.4017615583873755
Energy: 0.855184094885706
Energy: 0.9061180492081161
Energy: 0.847230796282091
Energy: 0.855053253559852
Energy: 0.9008896816357026
Energy: 1.0759993891577968
Energy: 0.9427370222775444
Energy: 0.9485353138168866
Energy: 1.0040929672063772
Energy: 1.0459616803260734
Energy: 0.8644461326438719
Energy: 1.432994249952571
Energy: 0.9412005957845114
Energy: 0.8891524426742735
Energy: 0.8950232576879714
Energy: 0.9402735551056102
Energy: 0.8849260963434618
Energy: 1.3502607515152703
Energy: 0.869718758424109
Energy: 0.8708491670242223
Energy: 0.9187604603455695
Energy: 1.0999265631866788
Energy: 0.9396858419556945
Energy: 0.9243761787334522
Energy: 0.8820841926173082
Energy: 0.8961538891004323
Energy: 0.9232281849073334
Energy: 0.9009663157230247
Energy: 0.8845486229718174
Energy: 0.9250801645314455
Energy: 0.8460985652134849
Energy: 0.8380723027307369
Energy: 0.9265017708108851
Energy: 0.8409471776928329
Energy: 0.8454741498551849
Energy: 0.9553386029156293
Energy: 0.8422503012814695
Energy: 0.837045837307421
Energy: 0.9255178245886316
Energy: 0.8409302387513955
Energy: 0.8468909515193191
Energy: 1.4973835738395715
Energy: 0.8435956442622781
Energy: 0.8475714081553334
Energy: 0.847121501950481
Energy: 0.8405215915781783
Energy: 0.8112650563770567

minimum gb energy = 0.8112650563770567 eV
minimum distance =  2.31350840246258 Angstroms
sigma value = 41


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

Energy: 1.6534710811439979
Energy: 0.9777320007707563
Energy: 0.9778956134161051
Energy: 1.2415283099058168
Energy: 1.1446742781922212
Energy: 1.2422247639606443
Energy: 0.9510979457826171
Energy: 0.9194022374904066
Energy: 0.9105830000575963
Energy: 0.9168392237563492
Energy: 0.9246539757490346
Energy: 0.9099538155658327
Energy: 0.9151960559149087
Energy: 0.9116649174127786
Energy: 0.9105984765564044
Energy: 0.9186703395891318
Energy: 0.9171027364185029
Energy: 0.9100339304189997
Energy: 0.9159825187271966
Energy: 0.9166512254319042
Energy: 0.9096434356987945
Energy: 0.9189022794816862
Energy: 0.9105813777359548
Energy: 0.9134585769223054
Energy: 0.91568872892027
Energy: 0.9103484987645318
Energy: 0.9137547029485723
Energy: 0.9429817052073605
Energy: 0.941981281483692
Energy: 0.917829985193692
Energy: 1.2950495998361848
Energy: 0.9104020836053677
Energy: 0.9183300789940955
Energy: 0.9439969821363903
Energy: 0.9187066784490949
Energy: 0.9340101112685637
Energy: 1.2838134167995239
Energy: 0.9173838190021805
Energy: 0.9130198051408346
Energy: 0.9479924318283606
Energy: 0.916525897549576
Energy: 0.912114152213708
Energy: 0.9511806330569057
Energy: 1.059847431575813
Energy: 0.9513542342101856
Energy: 0.8748610915817748
Energy: 1.0593917076324422
Energy: 0.8856839019591476
Energy: 1.293870639245397
Energy: 0.9147138688086153
Energy: 0.9111059861484088
Energy: 0.941557287961956
Energy: 0.9180400902181917
Energy: 0.9108142985191584
Energy: 1.2833036453710776
Energy: 0.9177240190909978
Energy: 0.9097665692732523
Energy: 0.920011535521939
Energy: 0.9170431666346273
Energy: 0.90934476161115
Energy: 1.2860277698561806
Energy: 0.9173549789056485
Energy: 0.9092916588052496
Energy: 0.9203828882804405
Energy: 0.9164514530673594
Energy: 0.9099178379236713
Energy: 1.4836079803864035
Energy: 0.8744539925001353
Energy: 0.8748250641162671
Energy: 0.9436472788403953
Energy: 0.8743623852731712
Energy: 0.9116404442060343
Energy: 1.0191027340813732
Energy: 0.8744404743560501
Energy: 0.8749916544270467
Energy: 0.9593345085033634
Energy: 0.8743929649548736
Energy: 0.876441845992295
Energy: 1.015369666769226
Energy: 0.9117124640371105
Energy: 0.9114967014534819
Energy: 1.0181692967312364
Energy: 0.9406518456819077
Energy: 0.9111125499318001
Energy: 1.0600338890332053
Energy: 1.0357642619088931
Energy: 1.0612398521543265
Energy: 1.060694404284637
Energy: 1.094968023476085
Energy: 1.0610284484685217
Energy: 0.9143248686171392
Energy: 0.9161594859288016
Energy: 0.9110709981214046
Energy: 0.9174766653656647
Energy: 0.9414404980126607
Energy: 0.9112640041515954
Energy: 1.6124832097269857
Energy: 0.9197643522514037
Energy: 0.8736452009718711
Energy: 1.151240165849028
Energy: 0.9184517058509188
Energy: 1.0644148864488863
Energy: 0.9544477947855582
Energy: 0.9187471525661893
Energy: 0.9197881608717361
Energy: 0.874489724366669
Energy: 0.9192713470158653
Energy: 0.8752478549052412
Energy: 0.915122990956583
Energy: 0.9167172198115702
Energy: 0.9169594943184007
Energy: 0.9179777942444672
Energy: 0.9177848296928215
Energy: 0.9106508700773873
Energy: 0.9150284618896067
Energy: 0.9105428889003289
Energy: 0.9093886606917451
Energy: 0.9173531806740503
Energy: 0.9168642104166174
Energy: 0.9107685329073617
Energy: 0.914714684998877
Energy: 0.9130613069883151
Energy: 0.9103685779514544
Energy: 0.9426892778239999
Energy: 0.9138432750447665
Energy: 0.9102678972416397
Energy: 1.4456468568384153
Energy: 1.1008969077629307
Energy: 1.133917816902586
Energy: 1.1456946261963978
Energy: 1.1010057179138715
Energy: 1.1329208688417673
Energy: 1.2943386265529588
Energy: 0.9142962955563951
Energy: 0.9117172953837407
Energy: 0.9427888981964329
Energy: 0.9194859929223823
Energy: 0.9103857284375887
Energy: 0.950823506654257
Energy: 1.1123542268799358
Energy: 0.9307253969680117
Energy: 0.876510410848844
Energy: 1.065217150048506
Energy: 0.889374551574014
Energy: 1.2840133764858088
Energy: 0.916905618548132
Energy: 0.9218245327192844
Energy: 0.9421517423484613
Energy: 0.9173218333496599
Energy: 0.9141473997670635
Energy: 1.2837536561695784
Energy: 0.917209889730859
Energy: 0.9094930697083365
Energy: 0.9227764448962391
Energy: 0.9166984318487835
Energy: 0.9090160541167683
Energy: 1.2832265511188374
Energy: 0.9175209515316813
Energy: 0.9099500403732564
Energy: 0.9190881712212133
Energy: 0.9331828896655217
Energy: 0.9104296746769792
Energy: 1.2940776911452445
Energy: 0.9377673615673309
Energy: 0.9095315987501644
Energy: 0.941608770022467
Energy: 0.9086125357787439
Energy: 0.9109565958443268
Energy: 1.0188684268875543
Energy: 0.9754667205227056
Energy: 0.9773580647973522
Energy: 0.9187051920292766
Energy: 1.151982767374435
Energy: 0.976893058590753
Energy: 1.0148656600725166
Energy: 0.9116399319983935
Energy: 0.9117278917964693
Energy: 1.0174341375894056
Energy: 0.9198482358392626
Energy: 0.9115868685371763
Energy: 1.0196756865924348
Energy: 0.9090384502650969
Energy: 0.9188721030780975
Energy: 1.018559817363076
Energy: 0.9171430258954513
Energy: 0.9170942524753567
Energy: 0.9142696283512681
Energy: 0.9132421654475353
Energy: 0.9162935570158723
Energy: 0.9420465512213697
Energy: 0.916909830148113
Energy: 0.9136211493136944
Energy: 1.6156751805362333
Energy: 0.9191939960641679
Energy: 0.8736319006716394
Energy: 0.8809268164985649
Energy: 0.9184969627766916
Energy: 0.9338495400185098

minimum gb energy = 0.8736319006716394 eV
minimum distance =  2.3154161184988 Angstroms
sigma value = 33


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

Energy: 1.239752720577326
Energy: 1.0161872879065543
Energy: 1.076877289406883
Energy: 0.9652101781975163
Energy: 1.049223986169717
Energy: 1.0156310034465783
Energy: 1.462638580247313
Energy: 0.9735694781177402
Energy: 0.9743388200642533
Energy: 0.9478751124999314
Energy: 0.9758693252398167
Energy: 0.9736887962906884
Energy: 1.0003730541672915
Energy: 0.9749817365948261
Energy: 0.9741757878052738
Energy: 0.9752487961453408
Energy: 0.9717221996503795
Energy: 0.9737488448247136
Energy: 1.004730097555327
Energy: 0.9732636773089955
Energy: 0.973471013116902
Energy: 1.0064060724345931
Energy: 0.975871741139825
Energy: 0.9730043086248934
Energy: 1.0011783493096444
Energy: 0.9735837461464859
Energy: 0.9465541554395621
Energy: 1.0030257050084095
Energy: 0.992449335377485
Energy: 0.9460722192988111
Energy: 1.05110336561891
Energy: 0.9519518714172501
Energy: 0.9520439861250576
Energy: 1.041644206125122
Energy: 0.9756113537552779
Energy: 0.9519333135182091
Energy: 1.0502695276264464
Energy: 0.9494160708732351
Energy: 0.9749724623957208
Energy: 1.0008740990451177
Energy: 0.9481156659416115
Energy: 0.9718856877622934
Energy: 1.0463310047796428
Energy: 1.0134828204596011
Energy: 0.9581349800271556
Energy: 0.9423713605394892
Energy: 0.9797309907147963
Energy: 0.9590567055857143
Energy: 1.0508830623159333
Energy: 0.9471920357445099
Energy: 0.9451346417793992
Energy: 0.9450320207609668
Energy: 0.9463162130915569
Energy: 0.9444645651227563
Energy: 1.4665228222095683
Energy: 0.94792887705917
Energy: 0.9462351601511448
Energy: 0.9728457097814757
Energy: 0.9496589035331798
Energy: 0.9462948355011116
Energy: 1.4655324390867763
Energy: 0.9504527355243124
Energy: 0.9739495060947139
Energy: 0.9755867840011389
Energy: 0.9489036702554237
Energy: 0.9719087700021574
Energy: 1.0495753402501493
Energy: 0.9415134567547747
Energy: 0.9415194219055626
Energy: 0.9745159075138822
Energy: 0.9484522056844185
Energy: 0.9420838741193388
Energy: 1.0015892146259038
Energy: 0.9418739722538514
Energy: 0.94184468318713
Energy: 0.976345447340711
Energy: 0.9519148958055165
Energy: 0.9448350627587299
Energy: 0.9992041178141737
Energy: 0.974476984368852
Energy: 0.9718552398660332
Energy: 1.0019627592868001
Energy: 0.9745919240454831
Energy: 0.9715349123132759
Energy: 0.9577616782688868
Energy: 0.9725925220446803
Energy: 0.9726146516662122
Energy: 0.9716600007082833
Energy: 0.9722173118858695
Energy: 0.9732098502873324
Energy: 1.0002455027280313
Energy: 0.9730229471406933
Energy: 0.9724825359098558
Energy: 0.9911479365621274
Energy: 1.002225029337379
Energy: 0.994379543924595
Energy: 1.4619123909579004
Energy: 1.0039457586032252
Energy: 0.9462530998672025
Energy: 0.9755041441385885
Energy: 1.0018839777711184
Energy: 0.9479221429544037
Energy: 1.467919279718682
Energy: 0.9490621411913609
Energy: 0.9462109981017629
Energy: 1.0024731064983416
Energy: 1.0029318870921766
Energy: 0.9466361489276235
Energy: 1.0028801295896328
Energy: 0.9444477141820711
Energy: 0.9427507162470499
Energy: 0.9905382456248075
Energy: 0.9458245879078511
Energy: 0.9734258293529757
Energy: 0.9521623719063838
Energy: 0.94441073613396
Energy: 0.9419502307987282
Energy: 0.9888640892631884
Energy: 0.9461793704312353
Energy: 0.9745153604719705
Energy: 0.9463834483835574
Energy: 0.9723819962545768
Energy: 0.9471145370564373
Energy: 0.9477165170711059
Energy: 0.9731090714026339
Energy: 0.9461808857983728
Energy: 0.9830232151048163
Energy: 0.9480824202179111
Energy: 0.9489940571935498
Energy: 0.9828684231347924
Energy: 0.946908128786722
Energy: 0.9491812855869858
Energy: 1.4145374194941036
Energy: 0.9738044486678823
Energy: 0.9730289296088338
Energy: 0.9470280661371754
Energy: 0.9737697978262305
Energy: 0.947141494737107
Energy: 1.052236939118234
Energy: 1.018088695126142
Energy: 0.94600829899453
Energy: 0.9426046232956586
Energy: 1.0212312184035133
Energy: 0.9472706751099426
Energy: 1.8786228428110927
Energy: 0.9743329565279687
Energy: 0.9753517075443313
Energy: 0.947588307331212
Energy: 0.9756430557698351
Energy: 0.9747739296686779
Energy: 1.0062629714874447
Energy: 0.9743002201973063
Energy: 0.976234029996391
Energy: 0.9742960219378196
Energy: 0.9732362424980543
Energy: 0.9764511828933798
Energy: 1.000019574527252
Energy: 0.9741717966071223
Energy: 0.9745700910492218
Energy: 0.9744301380049465
Energy: 0.9745326592176783
Energy: 0.9740474272423026
Energy: 1.0019278661609718
Energy: 0.9470196801967424
Energy: 0.9467329415886477
Energy: 1.0015795777273886
Energy: 0.9772094443575413
Energy: 0.9735373872114403
Energy: 1.1005559530144116
Energy: 0.9515960926326615
Energy: 0.9515016397566719
Energy: 1.049081519850148
Energy: 0.9483266818789156
Energy: 0.9518618950701067
Energy: 1.0498757064307829
Energy: 0.9473542253935432
Energy: 0.9475434168047601
Energy: 1.0010084359473195
Energy: 0.9474069205058598
Energy: 0.9733908685352942
Energy: 1.0470844955547283
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Energy: 0.9579986900835691
Energy: 0.9423546535053425
Energy: 0.9847122725450596
Energy: 0.9585210367140884
Energy: 1.0530558537326287
Energy: 0.9476537542917901
Energy: 0.9480800401165234
Energy: 0.9862897095758382
Energy: 0.9479259836979336
Energy: 0.9471344166076577
Energy: 1.4659906787649517
Energy: 0.9481576787307483
Energy: 0.9470970205110868
Energy: 0.9731038573007672
Energy: 0.9491904698276228
Energy: 0.9737970371595307
Energy: 1.4659169415105224
Energy: 0.9480889365688672
Energy: 0.9748128847024872
Energy: 0.9735728951977556
Energy: 0.9523415086609217
Energy: 0.9733757420823825
Energy: 1.0517946893803323
Energy: 0.941748619471053
Energy: 0.9418459407200909
Energy: 0.9756575762364492
Energy: 0.9480897897200701
Energy: 0.9439151272632427
Energy: 1.002322662040221
Energy: 0.9418936863592758
Energy: 0.9431713439179855
Energy: 0.9750354545860309
Energy: 0.9426401942515729
Energy: 0.9445369935564502
Energy: 0.9983190178630345
Energy: 0.9895122809386101
Energy: 0.9731147952099608
Energy: 1.0012572743428632
Energy: 0.992285513036756
Energy: 0.9712457722921181
Energy: 0.9730719689418056
Energy: 0.9714046581343317
Energy: 0.9731675505617545
Energy: 0.9754252616308777
Energy: 0.9710295403639735
Energy: 0.9938362771516506
Energy: 0.9990143953154921
Energy: 0.9910511662720266
Energy: 0.9711975274395922
Energy: 0.9739550095665973
Energy: 1.0020112490348043
Energy: 0.9720131508891755
Energy: 1.4623735703295027
Energy: 0.99646479114716
Energy: 0.9464532814094219
Energy: 0.9729788894975708
Energy: 1.002292688035427
Energy: 0.9475401108732671
Energy: 1.4729904010213166
Energy: 0.9462382783492503
Energy: 0.9463151973779819
Energy: 1.0058732190566757
Energy: 1.0024052446533973
Energy: 0.946871974282889
Energy: 0.9998307979722408
Energy: 0.9444877931981459
Energy: 0.9421370742864833
Energy: 0.9892739774207644
Energy: 0.9464710098252141
Energy: 0.9724985233636815
Energy: 0.9494178966725724
Energy: 0.9439085280934132
Energy: 0.9430431516494645
Energy: 0.9509978873794076
Energy: 0.9438420482008999
Energy: 0.9435822717500448
Energy: 0.9461500146829147
Energy: 0.9464276548616473
Energy: 0.9451083715900596
Energy: 0.9479150663828999
Energy: 0.9448135636409308
Energy: 0.9476238688055486
Energy: 0.9806937768469545
Energy: 0.9501333305668064
Energy: 0.9826587463581806
Energy: 0.9806691028385621
Energy: 0.9494451549961829
Energy: 1.0148192051632263
Energy: 0.9991828157308833
Energy: 0.9724024917117392
Energy: 0.9718917243523513
Energy: 0.947736561733574
Energy: 0.975962143571918
Energy: 0.9732155195327357
Energy: 1.877821480879384
Energy: 0.9787111723991733
Energy: 0.9447318649070536
Energy: 0.9539781256715745
Energy: 1.311591985638196
Energy: 0.9439337156775249

minimum gb energy = 0.9415134567547747 eV
minimum distance =  2.32685951880853 Angstroms
sigma value = 67


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

Energy: 1.4624006301818344
Energy: 1.0265196323292154
Energy: 1.026085853662792
Energy: 1.035607561679922
Energy: 1.0849092738484425
Energy: 1.0248425472572993
Energy: 1.1489923669384048
Energy: 1.0359330541407294
Energy: 1.0344062173825976
Energy: 1.035007076226173
Energy: 1.0371268299015681
Energy: 1.034738381155084
Energy: 1.0825466607472922
Energy: 0.9961013702418807
Energy: 1.037119142714289
Energy: 1.0366306274018215
Energy: 0.9950514842726039
Energy: 1.037426476331512
Energy: 1.0818623312446898
Energy: 1.033594607564481
Energy: 1.033568972549434
Energy: 1.0363089812525499
Energy: 1.0339064264163866
Energy: 1.0323707532071775
Energy: 1.07330336068087
Energy: 1.036935025387515
Energy: 1.0372367513441596
Energy: 1.0744914951439115
Energy: 1.0370331700124336
Energy: 1.0379024468503333
Energy: 1.076201620740695
Energy: 1.0394081525670165
Energy: 1.0404230456179955
Energy: 1.0771934440306266
Energy: 1.0383238566969546
Energy: 1.0409113678754773
Energy: 1.1489886794711999
Energy: 1.0369309352106915
Energy: 1.035952999843682
Energy: 0.995980525829549
Energy: 1.0362783355822633
Energy: 1.0358180322722923

minimum gb energy = 0.9950514842726039 eV
minimum distance =  2.34786653234328 Angstroms
sigma value = 3


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

Energy: 1.8473857203111952
Energy: 1.2706877228753444
Energy: 1.1956850385710143
Energy: 1.2160399269433129
Energy: 1.3174270501569996
Energy: 1.1992700552597706
Energy: 1.1467555321531546
Energy: 1.1796145476016042
Energy: 1.1686120000930034
Energy: 1.1778013541309746
Energy: 1.1804283565947569
Energy: 1.1661592492577713
Energy: 1.1676848932045614
Energy: 1.1464663963165889
Energy: 1.1466863840480448
Energy: 1.1684794645828216
Energy: 1.146404982619031
Energy: 1.1678536572856277
Energy: 1.1704066605823567
Energy: 1.1597344097620026
Energy: 1.1590911305824192
Energy: 1.1704611699259664
Energy: 1.1463026788805337
Energy: 1.1595817689982357
Energy: 1.147401080755097
Energy: 1.1573851625637575
Energy: 1.158113229940597
Energy: 1.1491406307805592
Energy: 1.1577708263674404
Energy: 1.1581617380958487
Energy: 1.1392715071216597
Energy: 1.158441462625841
Energy: 1.1589680007576266
Energy: 1.1591529424718092
Energy: 1.1578361001299822
Energy: 1.157652517468963
Energy: 1.141259418259029
Energy: 1.1612187342018614
Energy: 1.177895726204963
Energy: 1.1475802853677506
Energy: 1.1849304930747975
Energy: 1.1722413300799666
Energy: 1.3432779235533432
Energy: 1.2931279627330636
Energy: 1.2023631063591698
Energy: 1.1678632749465707
Energy: 1.329978605728029
Energy: 1.2074840325891136
Energy: 1.1411390082431347
Energy: 1.1802557937435059
Energy: 1.177603174819253
Energy: 1.1594600408223223
Energy: 1.1874119618668244
Energy: 1.1772199052813324
Energy: 1.1378602281172332
Energy: 1.1858368212834258
Energy: 1.185931155808259
Energy: 1.314080722835984
Energy: 1.185714006937395
Energy: 1.1810874679168113
Energy: 1.2239063108375678
Energy: 1.1459056680573094
Energy: 1.166656722595165
Energy: 1.1946240567975546
Energy: 1.1590317956231213
Energy: 1.1627528951292336
Energy: 1.2202947788868193
Energy: 1.1631043082468864
Energy: 1.1616516996245045
Energy: 1.1619897422607968
Energy: 1.1601111226616123
Energy: 1.1607740571227934
Energy: 1.1710435021625822
Energy: 1.158261221644089
Energy: 1.1584043737436787
Energy: 1.1626727910143047
Energy: 1.1403513106737386
Energy: 1.1589096189607488
Energy: 1.3556044441091877
Energy: 1.1665539725720722
Energy: 1.1667793178981305
Energy: 1.1736337003027901
Energy: 1.170015481890147
Energy: 1.1670341832217008
Energy: 1.2231695238424385
Energy: 1.1699763957738958
Energy: 1.1967920389972344
Energy: 1.1577111220496765
Energy: 1.1421518913230495
Energy: 1.1677733579092113
Energy: 1.318783197699631
Energy: 1.166878196859988
Energy: 1.1681996845445135
Energy: 1.1697935974745908
Energy: 1.1787985803160161
Energy: 1.1756085687540418
Energy: 1.318272727297773
Energy: 1.187754963265797
Energy: 1.1889805105478573
Energy: 1.3194858142968822
Energy: 1.1662693646743971
Energy: 1.1399517977357039
Energy: 1.2711708021567532
Energy: 1.1871922039124292
Energy: 1.1808180806224422
Energy: 1.1994800677710395
Energy: 1.1872831651929618
Energy: 1.1819718532024182
Energy: 1.3657703442487206
Energy: 1.1675360370195722
Energy: 1.166609891807846
Energy: 1.1729236963399532
Energy: 1.162953254571702
Energy: 1.170518803525439
Energy: 1.263366901985177
Energy: 1.1893279413025197
Energy: 1.1672961783018234
Energy: 1.172039894932064
Energy: 1.1853335649624233
Energy: 1.170603778319028
Energy: 1.152589960787691
Energy: 1.1591445984493465
Energy: 1.1652941581317864
Energy: 1.1560201538988104
Energy: 1.1637013333759203
Energy: 1.1655622847949458
Energy: 1.1515821146260656
Energy: 1.165713216189372
Energy: 1.158830744303616
Energy: 1.1645861681609446
Energy: 1.1644042047930427
Energy: 1.1604443338294832
Energy: 1.1537498293591235
Energy: 1.163484944934333
Energy: 1.160377318888214
Energy: 1.1556142742271795
Energy: 1.1601154250011092
Energy: 1.1601672164251202
Energy: 1.1866662666857108
Energy: 1.1674009681563542
Energy: 1.1665672636194744
Energy: 1.1870998110022986
Energy: 1.1680354325591247
Energy: 1.1928310648813547
Energy: 1.1696824123989173
Energy: 1.1657873897691693
Energy: 1.1594293181568238
Energy: 1.1757014115250246
Energy: 1.168674998986316
Energy: 1.1592823707604027
Energy: 1.4115365946641394
Energy: 1.1864238484809515
Energy: 1.1594561000717527
Energy: 1.1456186165136115
Energy: 1.1866189627033126
Energy: 1.1643916629083086
Energy: 1.58279404222644
Energy: 1.183804531435557
Energy: 1.1564995487848335
Energy: 1.1454342072794639
Energy: 1.1884252359548282
Energy: 1.1628445490371133
Energy: 1.1723761243643622
Energy: 1.1656576620573011
Energy: 1.1589214463284052
Energy: 1.173595937615847
Energy: 1.165999200491688
Energy: 1.1592515764843208
Energy: 1.1682791132112182
Energy: 1.1465849398522217
Energy: 1.1462361197945612
Energy: 1.1688583618444206
Energy: 1.147168245185961
Energy: 1.167339689860835
Energy: 1.1392882908677822
Energy: 1.1581032330448484
Energy: 1.1604025686106196
Energy: 1.141344509694094
Energy: 1.1588822735660977
Energy: 1.1591920763596357
Energy: 1.139828338686394
Energy: 1.1411979934374894
Energy: 1.1408772944798602
Energy: 1.1592625130315493
Energy: 1.1410167520948622
Energy: 1.1569666472446272
Energy: 1.1453755431299784
Energy: 1.1679505936561516
Energy: 1.1699140128890073
Energy: 1.150451400610855
Energy: 1.1630703861822635
Energy: 1.1696602971279422
Energy: 1.3416561817771402
Energy: 1.187434372577779
Energy: 1.1892773490336146
Energy: 1.166842637994946
Energy: 1.224328099001935
Energy: 1.1778221243027651
Energy: 1.4783322459347423
Energy: 1.2167715496090086
Energy: 1.1652475670190368
Energy: 1.1583219580776256
Energy: 1.1842083142532889
Energy: 1.156194249907129
Energy: 1.1390963403523486
Energy: 1.1461530891225233
Energy: 1.146274218333304
Energy: 1.1688793999573626
Energy: 1.1523051389872676
Energy: 1.1740300815943023
Energy: 1.2209878435783645
Energy: 1.185745048465238
Energy: 1.1855714895274754
Energy: 1.2242107704147047
Energy: 1.1856497173472837
Energy: 1.1838561620040216
Energy: 1.220059165135975
Energy: 1.168308141880437
Energy: 1.17198217682731
Energy: 1.193375018596918
Energy: 1.1638567776242401
Energy: 1.1766884732836635
Energy: 1.1714305193586507
Energy: 1.1578090313648313
Energy: 1.1429061689891604
Energy: 1.167426403776659
Energy: 1.1598669609936778
Energy: 1.1415664313642084
Energy: 1.1648730069594384
Energy: 1.1453718831774293
Energy: 1.1418002217548884
Energy: 1.1546731711761329
Energy: 1.1406616137751835
Energy: 1.1595661032818605
Energy: 1.2223948959949569
Energy: 1.1666380277924913
Energy: 1.1675146855793586
Energy: 1.1565536315196272
Energy: 1.167565083903086
Energy: 1.1673274183616411
Energy: 1.317482276095021
Energy: 1.167042492101567
Energy: 1.1589587372481711
Energy: 1.1795582435140217
Energy: 1.1799471908881163
Energy: 1.1589891473190674
Energy: 1.3269691670628299
Energy: 1.156799890418576
Energy: 1.180169729446394
Energy: 1.1945756172357038
Energy: 1.1585751899846206
Energy: 1.2028707670018068
Energy: 1.2711352275242214
Energy: 1.1835679323047557
Energy: 1.1852171460270073
Energy: 1.3256788411467466
Energy: 1.159343049411564
Energy: 1.1879440788360502
Energy: 1.2784674368009517
Energy: 1.165809085563064
Energy: 1.1584766525575538
Energy: 1.1943093399016467
Energy: 1.1847420360515812
Energy: 1.1661942008634347
Energy: 1.6293903148855808
Energy: 1.1841944740162278
Energy: 1.2378372886998579
Energy: 1.180563267859653
Energy: 1.1854433459863172
Energy: 1.2402026989914445
Energy: 1.1560278532319757
Energy: 1.1571927307125363
Energy: 1.1532177805771744
Energy: 1.1566296481539236
Energy: 1.1554419279749322
Energy: 1.1596704036509444
Energy: 1.152317105285851
Energy: 1.1636904799475591
Energy: 1.1628827596867233
Energy: 1.1661157371276643
Energy: 1.1648522902626657
Energy: 1.1620843528727822
Energy: 1.1661161371189597
Energy: 1.1643620576318803
Energy: 1.163854511612447
Energy: 1.1578512473564961
Energy: 1.1626239802947855
Energy: 1.1666760140645422
Energy: 1.1818452421013383
Energy: 1.1583132463508552
Energy: 1.1597055196804393
Energy: 1.183224746399917
Energy: 1.1586113227578074
Energy: 1.1760358857145918
Energy: 1.1679621279760137
Energy: 1.1586409022290942
Energy: 1.166119663641419
Energy: 1.2784969320471147
Energy: 1.1589214781446526
Energy: 1.160833684028856
Energy: 1.1475034202879093
Energy: 1.1644202763375042
Energy: 1.173955629933974
Energy: 1.1750614693570272
Energy: 1.2087442160306123
Energy: 1.1794187870483972

minimum gb energy = 1.1378602281172332 eV
minimum distance =  2.29923901964073 Angstroms
sigma value = 81


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

Energy: 2.0438621301338236
Energy: 1.1822566845291773
Energy: 1.182519445986213
Energy: 1.1823672654028026
Energy: 1.1935256604569244
Energy: 1.1821547827124617
Energy: 1.2153330073161188
Energy: 1.1544030468617947
Energy: 1.1547778151535713
Energy: 1.1692013835846076
Energy: 1.116610787893718
Energy: 1.1553295309679907
Energy: 1.2348442486383087
Energy: 1.1263927145496018
Energy: 1.1255029225572033
Energy: 1.219564959106397
Energy: 1.127904678286467
Energy: 1.170145897027374
Energy: 1.1390993392322726
Energy: 1.1261405236514608
Energy: 1.1700833172235527
Energy: 1.138861539445406
Energy: 1.1247796743285152
Energy: 1.1692766179623026
Energy: 1.1712340200204556
Energy: 1.1514535196957791
Energy: 1.1517299589979044
Energy: 1.1790355534026657
Energy: 1.1514226477642704
Energy: 1.1506892004296378
Energy: 1.1421641963993014
Energy: 1.150131281251132
Energy: 1.151740516331687
Energy: 1.1564578301233481
Energy: 1.1530724648944735
Energy: 1.1842070345957625
Energy: 1.1222358557512568
Energy: 1.200813585472981
Energy: 1.2007684352506915
Energy: 1.1118387384406803
Energy: 1.2020558190641988
Energy: 1.1532913928034487
Energy: 1.3042575800136642
Energy: 1.2043190163158637
Energy: 1.2128054918002957
Energy: 1.1199785581466142
Energy: 1.2767960790239172
Energy: 1.188225763072126
Energy: 1.1570511199122373
Energy: 1.2115910206566702
Energy: 1.1547011226189952
Energy: 1.1223663538853978
Energy: 1.209304148156622
Energy: 1.13107728073296
Energy: 1.22502217488444
Energy: 1.0844453334471076
Energy: 1.082993489219863
Energy: 1.2258194139481222
Energy: 1.0845135676083908
Energy: 1.1447075123736605
Energy: 1.1587447542439135
Energy: 1.081010254828424
Energy: 1.0836847553982778
Energy: 1.1529208394897534
Energy: 1.0987862419014758
Energy: 1.1566326565878122
Energy: 1.1327303934951694
Energy: 1.1505861770926122
Energy: 1.1508194341906683
Energy: 1.1259829237457293
Energy: 1.1546483122604947
Energy: 1.1558694678753398
Energy: 1.1331349514852909
Energy: 1.1719174971775512
Energy: 1.1531557544083393
Energy: 1.1277876149927824
Energy: 1.157613810229556
Energy: 1.1265538616230344
Energy: 1.160743295005865
Energy: 1.186098460106132
Energy: 1.1519472881399426
Energy: 1.1559907680721764
Energy: 1.1876899717619431
Energy: 1.147157944091572
Energy: 1.2960470908535084
Energy: 1.1533737315905006
Energy: 1.1819273536006072
Energy: 1.1499798853045495
Energy: 1.1841520702236183
Energy: 1.1831536721005276
Energy: 1.2951751593129828
Energy: 1.1477154447985678
Energy: 1.1477806072616166
Energy: 1.2026992709421902
Energy: 1.1542023783790412
Energy: 1.1540151524967182
Energy: 1.295807982511702
Energy: 1.1544614721352544
Energy: 1.1530138723483017
Energy: 1.2957825329629231
Energy: 1.1550974255080901
Energy: 1.1876207278497557
Energy: 1.3068080939791915
Energy: 1.1129365442962456
Energy: 1.1592131345852896
Energy: 1.2102817997231639
Energy: 1.1121437414888302
Energy: 1.154430611294265
Energy: 1.3412687133585504
Energy: 1.1453757227138945
Energy: 1.080989866483976
Energy: 1.0775821523235358
Energy: 1.1437086697392638
Energy: 1.0836806128295078
Energy: 1.3434781408948415
Energy: 1.1453109688836107
Energy: 1.112613400864515
Energy: 1.0784584897948926
Energy: 1.172103759782415
Energy: 1.084283941357748
Energy: 1.1308178973642058
Energy: 1.1126455628468281
Energy: 1.1474617871450505
Energy: 1.1192445984675408
Energy: 1.1117567813397906
Energy: 1.1421933176355763
Energy: 1.1550199966631542
Energy: 1.1285969098696254
Energy: 1.1287004829951695
Energy: 1.1733541965741423
Energy: 1.1253574886851823
Energy: 1.141908637433031
Energy: 1.1529532888275231
Energy: 1.1529889660107484
Energy: 1.1555340095712894
Energy: 1.155949159037779
Energy: 1.145498226606285
Energy: 1.158029922523442
Energy: 1.186955060987729
Energy: 1.1839163570492541
Energy: 1.1833183691135962
Energy: 1.1822342396818677
Energy: 1.1526601595296233
Energy: 1.1827518889981887
Energy: 1.1863543308382287
Energy: 1.1532893473899404
Energy: 1.153957541625925
Energy: 1.1533617936311122
Energy: 1.2018459518569118
Energy: 1.1483330002524568
Energy: 1.304374130917489
Energy: 1.2075367892379205
Energy: 1.2116639041133155
Energy: 1.1499340010680814
Energy: 1.235767029171821
Energy: 1.2135641938896855
Energy: 1.3045601025585474
Energy: 1.2098417831555586
Energy: 1.2119064949669847
Energy: 1.1300041114703165
Energy: 1.2211626807050673
Energy: 1.212853589282402
Energy: 1.1537769310197064
Energy: 1.07977180425095
Energy: 1.1256721384548942
Energy: 1.1090434407860006
Energy: 1.154316026959116
Energy: 1.1273518959107809
Energy: 1.1280312511498956
Energy: 1.0841859052564384
Energy: 1.1138831237665887
Energy: 1.1696875392507966
Energy: 1.0834965354530435
Energy: 1.1127122259679212
Energy: 1.12584995308974
Energy: 1.1525836563180565
Energy: 1.174702855749014
Energy: 1.1090490834959021
Energy: 1.1459330788754527
Energy: 1.1405049893630625
Energy: 1.1334467959055732
Energy: 1.1673900139871531
Energy: 1.1517749243961086
Energy: 1.126262719902659
Energy: 1.1684647509789001
Energy: 1.128209065435604
Energy: 1.1263512642466769
Energy: 1.1446261547884757
Energy: 1.1548645794800334
Energy: 1.1098678915672031
Energy: 1.1437098691576966
Energy: 1.1519102886610524
Energy: 1.2781186244530902
Energy: 1.179214752611322
Energy: 1.1859126495617747
Energy: 1.1589329174268943
Energy: 1.1796232315075155
Energy: 1.18628248665285
Energy: 1.27721129079662
Energy: 1.1469703418940242
Energy: 1.1540882686035034
Energy: 1.1563191746522399
Energy: 1.1876716393777533
Energy: 1.1559129133605863
Energy: 1.2788804806890093
Energy: 1.149720344108528
Energy: 1.1329765509053775
Energy: 1.2179552662542728
Energy: 1.0979489337919883
Energy: 1.216401498794443
Energy: 1.265293739977837
Energy: 1.1526168804458825
Energy: 1.152422577330499
Energy: 1.26537430032596
Energy: 1.1525542330161134
Energy: 1.2364856832593605
Energy: 1.3435145867959073
Energy: 1.1524265148740536
Energy: 1.1555494646765718
Energy: 1.2481140027599698
Energy: 1.1147714618251552
Energy: 1.1557518936899422
Energy: 1.3944709978670542
Energy: 1.1616094981581715
Energy: 1.182705008038202
Energy: 1.160018342310629
Energy: 1.2289755186016154
Energy: 1.169178800336038

minimum gb energy = 1.0775821523235358 eV
minimum distance =  2.25993172954517 Angstroms
sigma value = 43


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

Energy: 1.9960248792253759
Energy: 1.2987582417277308
Energy: 1.221738296467549
Energy: 1.1692512789464282
Energy: 1.348301035226372
Energy: 1.1686192448995554
Energy: 1.1385302683531202
Energy: 1.1483348581172759
Energy: 1.1523470810747545
Energy: 1.143290326693408
Energy: 1.1375595348408885
Energy: 1.152645615092661
Energy: 1.1434616955412333
Energy: 1.138481817897034
Energy: 1.1382235547750483
Energy: 1.2553182340324889
Energy: 1.1384723745285203
Energy: 1.1671681794101099
Energy: 1.141773390626176
Energy: 1.138172373117355
Energy: 1.1430446813199904
Energy: 1.141839881315575
Energy: 1.1384041694218385
Energy: 1.1418526690462591
Energy: 1.1245992487999419
Energy: 1.1400243513438932
Energy: 1.1393560190087881
Energy: 1.1325072285403563
Energy: 1.1400594160259052
Energy: 1.1388109711928471
Energy: 1.1239374778577513
Energy: 1.1397838063185188
Energy: 1.1401870508464764
Energy: 1.1397718553449177
Energy: 1.1398259564062292
Energy: 1.1401804000491156
Energy: 1.116841299249418
Energy: 1.1244629268775062
Energy: 1.1321318879083806
Energy: 1.1320097013016086
Energy: 1.125501348431326
Energy: 1.140226491728547
Energy: 1.1629931344099076
Energy: 1.144337168185058
Energy: 1.1447954919783978
Energy: 1.1212197254687262
Energy: 1.1446925135429284
Energy: 1.1438519533550449
Energy: 1.1170135026435082
Energy: 1.1431676493472291
Energy: 1.1434334963681676
Energy: 1.1361944931217924
Energy: 1.1429698437375357
Energy: 1.143645502629915
Energy: 1.3460401920123015
Energy: 1.1406219709466867
Energy: 1.1894780741214201
Energy: 1.189308817875174
Energy: 1.1401868403282491
Energy: 1.1780918416207453
Energy: 1.1093642579457281
Energy: 1.1830566567411744
Energy: 1.1612749478015802
Energy: 1.1362606037080623
Energy: 1.1971395735697496
Energy: 1.1515898599082315
Energy: 1.2507406820480738
Energy: 1.1436599916868393
Energy: 1.1669880966831359
Energy: 1.1390550163223143
Energy: 1.1433818653222856
Energy: 1.1665046659593419
Energy: 1.3350117991115378
Energy: 1.1418287367237243
Energy: 1.1422307788263724
Energy: 1.1381939418792197
Energy: 1.187820834846755
Energy: 1.1438216489813677
Energy: 1.1098560128950796
Energy: 1.1534393387166777
Energy: 1.1514868597953085
Energy: 1.1468140763844163
Energy: 1.1252817510932545
Energy: 1.15106213649946
Energy: 1.1086711810405545
Energy: 1.1310113405505342
Energy: 1.151855128478367
Energy: 1.1531762278506554
Energy: 1.1296261804932561
Energy: 1.1324523976112189
Energy: 1.1048510013698005
Energy: 1.1397071032814035
Energy: 1.1202259528840786
Energy: 1.104271048312244
Energy: 1.1384833557735454
Energy: 1.125214709393992
Energy: 1.1272269811708164
Energy: 1.130059794308018
Energy: 1.1294402858942507
Energy: 1.1271790529726995
Energy: 1.1100551155081295
Energy: 1.1290209538987943
Energy: 1.1275844481697068
Energy: 1.1263584150032429
Energy: 1.1541745681304827
Energy: 1.1431625813685693
Energy: 1.128597342019922
Energy: 1.1533306600344522
Energy: 1.286843547263292
Energy: 1.127771849802378
Energy: 1.1273922954268891
Energy: 1.1659516774774015
Energy: 1.1858436454504362
Energy: 1.166685826638234
Energy: 1.398069749122778
Energy: 1.1287678016477902
Energy: 1.1287171752326135
Energy: 1.1404830785115974
Energy: 1.1865783474768123
Energy: 1.1414235066981895
Energy: 1.1278771646770007
Energy: 1.1254252868851675
Energy: 1.1269653525657184
Energy: 1.142539594216477
Energy: 1.1108595949422364
Energy: 1.1266187821149531
Energy: 1.259324829487646
Energy: 1.1442882925032618
Energy: 1.1455869981169744
Energy: 1.2593897927464257
Energy: 1.1038271147337646
Energy: 1.224589277104063
Energy: 1.146568966923736
Energy: 1.1278841043400822
Energy: 1.1275642088047586
Energy: 1.1113420483398213
Energy: 1.1291127568451
Energy: 1.1478218441102814
Energy: 1.194466219494671
Energy: 1.129986630029598
Energy: 1.130338361726804
Energy: 1.1161502408002364
Energy: 1.1600145595552696
Energy: 1.1565777078975858
Energy: 1.2288207842485184
Energy: 1.1250016290172808
Energy: 1.1281164908330221
Energy: 1.1563150869801242
Energy: 1.124539472352595
Energy: 1.154151408982299
Energy: 1.1872015683239165
Energy: 1.1272977512870774
Energy: 1.150987597439754
Energy: 1.1492523170758593
Energy: 1.1084920855067826
Energy: 1.1522153874797831
Energy: 1.1903054218168436
Energy: 1.1344901717609912
Energy: 1.15013863133452
Energy: 1.1509695223731524
Energy: 1.1360159613443628
Energy: 1.1507843429101718
Energy: 1.1754337875680294
Energy: 1.1501268525616724
Energy: 1.150323630595237
Energy: 1.14219262015704
Energy: 1.138918564540195
Energy: 1.134706743850755
Energy: 1.1745120851221766
Energy: 1.1424089359699867
Energy: 1.1423486663187494
Energy: 1.1619451876640456
Energy: 1.1049383854781076
Energy: 1.1423512604514139
Energy: 1.1439322469021171
Energy: 1.1357599154745561
Energy: 1.1512426202912347
Energy: 1.1676205157101163
Energy: 1.1376793461078667
Energy: 1.1322988479246177
Energy: 1.414392132647038
Energy: 1.2143497371332026
Energy: 1.132840366631484
Energy: 1.1483251269538237
Energy: 1.2170245484390534
Energy: 1.1329055898672065

minimum gb energy = 1.1038271147337646 eV
minimum distance =  2.26986063873897 Angstroms
sigma value = 57


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

Energy: 1.3020262279882238
Energy: 1.15278336319804
Energy: 1.1537550939131245
Energy: 1.040663037263273
Energy: 1.3056194684066542
Energy: 1.154214774315365
Energy: 1.0344461325523717
Energy: 1.152249581894654
Energy: 1.1163757691255032
Energy: 1.1178521271542567
Energy: 1.1531268052614652
Energy: 1.122662083701295
Energy: 1.1174278266278106
Energy: 1.0807263195198082
Energy: 1.0824925720151797
Energy: 1.1404939628256303
Energy: 1.080763701146238
Energy: 1.0851841405760827
Energy: 1.101782661955992
Energy: 1.1096441087553537
Energy: 1.1124482780100275
Energy: 1.1028683938475523
Energy: 1.1110404612897606
Energy: 1.0928857836056125
Energy: 1.1103477129553265
Energy: 1.1177825714046843
Energy: 1.117724791104473
Energy: 1.093077117989972
Energy: 1.1170590748110327
Energy: 1.116964190477523
Energy: 1.0353777088521998
Energy: 1.1159331452497874
Energy: 1.122154161933944
Energy: 1.1213477808234795
Energy: 1.1159300419454476
Energy: 1.1166159717659636
Energy: 1.1162684060748795
Energy: 1.1025321976732458
Energy: 1.1027664911248738
Energy: 1.0956818842011822
Energy: 1.1062466701917346
Energy: 1.1156360089580841
Energy: 1.1117156277024298
Energy: 1.1383694364928834
Energy: 1.1435904423323933
Energy: 1.0975177029537968
Energy: 1.1376870065573732
Energy: 1.1243452538991563
Energy: 1.1160643773010304
Energy: 1.1666523594145393
Energy: 1.1594894198467753
Energy: 1.116517955927179
Energy: 1.1621346511965165
Energy: 1.1240034719481549
Energy: 1.3215690984152337
Energy: 1.1353446305416237
Energy: 1.1353491961992244
Energy: 1.2268433024836207
Energy: 1.1357338477959364
Energy: 1.1187396225078852
Energy: 1.112377203909388
Energy: 1.1349524558252961
Energy: 1.1264741868754211
Energy: 1.1634555588105169
Energy: 1.1179764863497517
Energy: 1.1582827487327108
Energy: 1.0358538332464369
Energy: 1.1579284621647912
Energy: 1.1572463834464184
Energy: 1.0786655375679661
Energy: 1.1652029364443357
Energy: 1.1894894303495975
Energy: 1.0354102628113486
Energy: 1.1542659792936252
Energy: 1.1783040606263868
Energy: 1.1909344619547875
Energy: 1.1592537332784436
Energy: 1.1943743493437946
Energy: 1.2067340646359979
Energy: 1.1233754425914606
Energy: 1.1232290500238888
Energy: 1.1504283419270391
Energy: 1.1218529049355541
Energy: 1.1173880397650813
Energy: 1.1145798462313916
Energy: 1.0367532813393203
Energy: 1.0592189517113382
Energy: 1.145019229852569
Energy: 1.0359296726635092
Energy: 1.0361540591586624
Energy: 1.102668474052789
Energy: 1.1152484599211925
Energy: 1.0905652846543368
Energy: 1.1036109041201088
Energy: 1.113141997063804
Energy: 1.0930031765792083
Energy: 1.11733372053306
Energy: 1.1173256128509548
Energy: 1.116014989130069
Energy: 1.0951060779115729
Energy: 1.1169164840595522
Energy: 1.1154134609931563
Energy: 1.1144826724682995
Energy: 1.1172913863010197
Energy: 1.116536887668113
Energy: 1.117628449877688
Energy: 1.093231857877611
Energy: 1.116359052747932
Energy: 1.1174202629633834
Energy: 1.1577408447513784
Energy: 1.1584607107049927
Energy: 1.110993609223474
Energy: 1.1154535555520109
Energy: 1.1582599866227048
Energy: 1.1171743753916492
Energy: 1.1600154448541564
Energy: 1.1544754597678795
Energy: 1.1445721170409664
Energy: 1.1581379509804282
Energy: 1.1608363728503528
Energy: 1.1170838034481194
Energy: 1.165875498734919
Energy: 1.1546559599660586
Energy: 1.1175732072185092
Energy: 1.1626182128185714
Energy: 1.1154089574491632
Energy: 1.305478276730588
Energy: 1.0982940274780773
Energy: 1.1776196597492865
Energy: 1.2243325937272276
Energy: 1.0974951849625418
Energy: 1.0973071227150168
Energy: 1.2066948587009974
Energy: 1.1641945053110048
Energy: 1.163494177575345
Energy: 1.1164353213223592
Energy: 1.1650913192254078
Energy: 1.1223737901583521
Energy: 1.0353404264234545
Energy: 1.140490634495393
Energy: 1.1786594482854027
Energy: 1.1903216351629684
Energy: 1.13977024972534
Energy: 1.177316733342104

minimum gb energy = 1.0344461325523717 eV
minimum distance =  2.24424253124057 Angstroms
sigma value = 17


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

Energy: 1.2748324507169428
Energy: 1.2476652569836895
Energy: 1.2448279170919976
Energy: 1.0505954474970773
Energy: 1.1328712015264786
Energy: 1.049617115531316
Energy: 0.9991965124053819
Energy: 1.1476653277080684
Energy: 1.0891395001432347
Energy: 1.1472068874942125
Energy: 1.132670997914676
Energy: 1.0675040674376872
Energy: 1.1181775977458788
Energy: 1.0808943823528352
Energy: 1.0826918123083764
Energy: 1.103242194218663
Energy: 1.0799273231804751
Energy: 1.0272173067720953
Energy: 1.119185921090463
Energy: 1.0801485377474485
Energy: 1.0449050328656146
Energy: 1.119260312178587
Energy: 1.0417806452500824
Energy: 1.1183034020012963
Energy: 0.9840174498692531
Energy: 1.0495832327247636
Energy: 1.0484451895816174
Energy: 0.9849606333675285
Energy: 1.0421235017249306
Energy: 1.0489851914541963
Energy: 0.9998329408205753
Energy: 1.049166903115793
Energy: 1.0471968081748437
Energy: 1.0162306950583022
Energy: 0.9712090721327291
Energy: 1.0151339081095996
Energy: 0.9843081327246714
Energy: 0.9700892336160117
Energy: 1.0013556573640758
Energy: 1.0173560026600894
Energy: 0.9705016587642056
Energy: 0.9972757523196595
Energy: 0.9722920058757881
Energy: 1.0220554440293868
Energy: 1.0203694038281823
Energy: 1.0193306429453677
Energy: 1.0209256414288026
Energy: 1.0389503503555924
Energy: 0.9740343362419155
Energy: 1.0206307502833165
Energy: 1.0196584051749387
Energy: 0.9703243688364702
Energy: 1.0197174567036618
Energy: 0.9972661380566704
Energy: 0.971412998582784
Energy: 1.0481126596525792
Energy: 1.0476528267857161
Energy: 0.9708555069947971
Energy: 1.0481907559990975
Energy: 1.017620830861999
Energy: 0.9712616270597049
Energy: 1.0478614516445197
Energy: 1.0482928954395876
Energy: 1.0160891663312646
Energy: 1.104360911892993
Energy: 1.0494959172115752
Energy: 1.1178344221207908
Energy: 1.1033741628747418
Energy: 1.1032548937970834
Energy: 1.0421289381092695
Energy: 1.103271490344216
Energy: 1.1037099329178488
Energy: 1.1018502850182323
Energy: 1.1353286910923157
Energy: 1.134904519798034
Energy: 1.0151754760981062
Energy: 1.1330947421628434
Energy: 1.1351642667870205
Energy: 1.1194917332670213
Energy: 1.1319121575655302
Energy: 1.1461609578215544
Energy: 1.1470823628769797
Energy: 1.1051554090469098
Energy: 1.0901475131299785
Energy: 1.1988796606015883
Energy: 1.130439261613453
Energy: 1.1298674693708208
Energy: 1.1037722065139757
Energy: 1.129943608901492
Energy: 1.1766749382521402
Energy: 1.1920488379703584
Energy: 1.1633087884167816
Energy: 1.0949252807539573
Energy: 1.1051517375834556
Energy: 1.1620421392998688
Energy: 1.1463721102740676
Energy: 1.088575080171443
Energy: 1.135278992916407
Energy: 1.2050408137240176
Energy: 0.9999724213775085
Energy: 1.1338413514850656
Energy: 1.2047486829444787

minimum gb energy = 0.9700892336160117 eV
minimum distance =  2.2897153499943 Angstroms
sigma value = 17


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

Energy: 1.9601221611651434
Energy: 1.2066099964410006
Energy: 1.0213486838087322
Energy: 1.0219659051871526
Energy: 1.0922391331619818
Energy: 1.0213078286572743
Energy: 0.9825440480986123
Energy: 1.1032957516200474
Energy: 0.9907401160716804
Energy: 1.0780430436784953
Energy: 1.1127105589905464
Energy: 1.031346248199032
Energy: 1.297961835328777
Energy: 0.9566120924672757
Energy: 1.0066604384707873
Energy: 1.0796720381203464
Energy: 0.9567226567381059
Energy: 0.9837019168051018
Energy: 1.0832076923119973
Energy: 1.0071347664085901
Energy: 1.0064984691262728
Energy: 1.083043072570725
Energy: 0.9576158459698044
Energy: 0.9837635667229722
Energy: 0.9519994471273201
Energy: 0.9757399492956518
Energy: 0.9926816498138916
Energy: 0.952744760669247
Energy: 0.97281284448505
Energy: 0.9940280374122973
Energy: 0.8638439878478853
Energy: 0.9375738777783788
Energy: 0.9535631146603807
Energy: 0.9559004106222624
Energy: 0.9385358018157332
Energy: 0.9542682320003572
Energy: 0.87680600658237
Energy: 0.9381080429919263
Energy: 0.9374642209393268
Energy: 0.9122048171714843
Energy: 0.9415261386476674
Energy: 0.9425719696570073
Energy: 0.8764352925409344
Energy: 0.9321565541436784
Energy: 0.9436102519362075
Energy: 0.9530293069844548
Energy: 0.9319857944888982
Energy: 0.9442967957613095
Energy: 0.8782746775051649
Energy: 0.9421468225626467
Energy: 0.8785730041533192
Energy: 0.879838573114639
Energy: 0.9128701373598482
Energy: 0.8775045089610033
Energy: 0.8775695911844466
Energy: 0.9363330672947116
Energy: 0.9376327239781959
Energy: 0.8770485160935976
Energy: 0.9347295015059076
Energy: 0.9375820805019432
Energy: 0.8903981113581395
Energy: 0.877404245194655
Energy: 0.9357346023796836
Energy: 0.9354820899961497
Energy: 0.877027873717251
Energy: 0.9358345114495701
Energy: 0.8813963705766029
Energy: 0.8779011005661554
Energy: 0.8775606657991918
Energy: 0.8814577454259532
Energy: 0.8832613925256791
Energy: 0.9184997800289357
Energy: 0.8770653987118577
Energy: 0.9450921457527411
Energy: 0.944410507775619
Energy: 0.943232399335596
Energy: 0.923025293322736
Energy: 0.9427273228173874
Energy: 0.938976219958267
Energy: 0.9574576687035444
Energy: 0.9501738347952149
Energy: 0.9392198253056213
Energy: 0.9452112899652343
Energy: 0.9375365028137331
Energy: 0.9381024097963173
Energy: 0.9465301747971145
Energy: 0.9455693355202783
Energy: 0.9379981780986187
Energy: 0.9472935003508738
Energy: 1.002975278552207
Energy: 1.1000440862817322
Energy: 1.029279391013131
Energy: 0.9914946508635201
Energy: 0.9729000238037364
Energy: 0.9882604710781061
Energy: 0.9745696612229178
Energy: 0.8784612087859688
Energy: 1.0793561301816956
Energy: 1.0798350582397618
Energy: 0.9146807872736791
Energy: 1.079503796251844
Energy: 0.9373525849627174
Energy: 0.9549786613778448
Energy: 1.0819928225639035
Energy: 1.089752998625039
Energy: 0.975393160942821
Energy: 1.0796037582832398
Energy: 0.9735178198709011
Energy: 0.9379329157101431
Energy: 1.0573039355744205
Energy: 1.0298120462773714
Energy: 0.9532919446657796
Energy: 0.986938054001757
Energy: 1.0043090353574278
Energy: 1.2383918959632245
Energy: 0.9759027262439559
Energy: 0.9767898056634156
Energy: 1.0799330430711014
Energy: 0.9753637248574325
Energy: 1.099223746456194
Energy: 1.2116605761741561
Energy: 1.0584831918431536
Energy: 1.1029777676505503
Energy: 1.0819823754604418
Energy: 1.0803229452379972
Energy: 1.0691633027558336
Energy: 0.8909821687385449
Energy: 1.108132819841319
Energy: 1.171951653880152
Energy: 0.9846346730938095
Energy: 1.1068207109376387
Energy: 0.9854935859258142
Energy: 0.895555588321845
Energy: 1.1048058207357239
Energy: 1.1033557782807493
Energy: 0.9286988035165884
Energy: 1.102351164344391
Energy: 1.151686814663648
Energy: 1.3241864997404655
Energy: 1.0015303937126248
Energy: 1.1036755263020692
Energy: 1.0808192932874854
Energy: 0.9314806177132056
Energy: 1.0572588149257942
Energy: 1.079612066601072
Energy: 0.9582232442911313
Energy: 0.9968232132846859
Energy: 1.079756170932244
Energy: 0.9590879419209667
Energy: 0.982983155655358
Energy: 0.9554937836322216
Energy: 0.9776402150242487
Energy: 0.9919922575185965
Energy: 0.954839738047522
Energy: 0.9751850052023222
Energy: 0.9939925385176417
Energy: 0.86274498604311
Energy: 0.9825652706205074
Energy: 0.9825037605192916
Energy: 0.9557174594381549
Energy: 0.9990301700662182
Energy: 0.9542891736992913
Energy: 0.8609023654054446
Energy: 0.9378599316836463
Energy: 0.9381578746666318
Energy: 0.8615724552984536
Energy: 0.9403534004512333
Energy: 0.938146588001221
Energy: 0.876514394270569
Energy: 0.9448513034163254
Energy: 0.9455822386057017
Energy: 0.9516132601278265
Energy: 0.9382708550425214
Energy: 0.9446800258725513
Energy: 0.8777593220822666
Energy: 0.9313715656508091
Energy: 0.9430398217616203
Energy: 0.8779649412657052
Energy: 0.9315936990077041
Energy: 0.9424214873476556
Energy: 0.8833268444746248
Energy: 0.9389608314365249
Energy: 0.9377023557671887
Energy: 0.8845594915588808
Energy: 0.9357788120598608
Energy: 0.9148866961517028
Energy: 0.8775727677801951
Energy: 0.9393954149081232
Energy: 0.9392598032978389
Energy: 0.9465032793655268
Energy: 0.9359902725851852
Energy: 0.9392928474500697
Energy: 0.9728394137190816
Energy: 0.8773197725204687
Energy: 0.8774778434489339
Energy: 0.9727626416958831
Energy: 0.8787997099720263
Energy: 0.8774055488807845
Energy: 0.9737049825402737
Energy: 0.9422663314510983
Energy: 0.9579869524383711
Energy: 0.9511707244303199
Energy: 0.9190801501720519
Energy: 0.9480137093554095
Energy: 0.946197668919124
Energy: 0.9469123493610252
Energy: 0.9471027556362049
Energy: 0.9381172870893066
Energy: 0.948611046451657
Energy: 0.9484697690409657
Energy: 0.9386052321032692
Energy: 0.9446017182017606
Energy: 0.98271381373046
Energy: 0.9388244973336771
Energy: 0.9445168893453038
Energy: 0.9743596166570793
Energy: 0.9385345433133032
Energy: 0.9900899475983046
Energy: 0.9910200071260937
Energy: 0.978007147068566
Energy: 1.008926125116698
Energy: 0.9763099819415756
Energy: 0.8755762960462827
Energy: 1.0790644277430819
Energy: 1.0780423472254304
Energy: 0.9696246332467667
Energy: 1.0822136988330682
Energy: 0.9769204228878349
Energy: 0.8780279407740729
Energy: 1.0918609953548972
Energy: 0.9745634004609757
Energy: 0.9733696409453759
Energy: 1.1072958611612955
Energy: 0.9753183223686311
Energy: 0.9375685507659957
Energy: 1.058079538461908
Energy: 1.080910191560333
Energy: 0.9543577535288336
Energy: 1.0831562393266203
Energy: 1.0287399759492704
Energy: 1.1126612022326736
Energy: 0.9737221557138236
Energy: 1.0774348771191613
Energy: 1.0922261606404664
Energy: 0.9793985978711169
Energy: 1.0791604022643677
Energy: 1.3167893664623724
Energy: 1.028996341698843
Energy: 1.0908361269283275
Energy: 1.0816332566527018
Energy: 1.0023354893065055
Energy: 1.0667176113423777
Energy: 0.8976009416754872
Energy: 1.1049930195307935
Energy: 1.0901503404099449
Energy: 0.9289735910079344
Energy: 1.110648695570937
Energy: 1.1519581367693315

minimum gb energy = 0.8609023654054446 eV
minimum distance =  2.2717955876669 Angstroms
sigma value = 57


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

Energy: 1.0005450068154784
Energy: 1.151999277240107
Energy: 0.9924530705810359
Energy: 0.9418825086422181
Energy: 1.3548765941528145
Energy: 1.033646424100121
Energy: 0.9572421194904414
Energy: 1.0169928725404835
Energy: 0.9411857578730263
Energy: 1.0253867979106113
Energy: 1.0445767256900966
Energy: 0.9888959933551197
Energy: 1.2277925863756225
Energy: 0.9054267951493331
Energy: 0.9101734682600898
Energy: 1.0488151694400658
Energy: 0.90543293015728
Energy: 0.9615671484544438
Energy: 1.0449949183089002
Energy: 0.90486627716128
Energy: 0.9657369672526016
Energy: 1.0463194778519258
Energy: 0.8805832973116634
Energy: 0.9580091034548658
Energy: 0.89991034738259
Energy: 0.9501474644210899
Energy: 0.9428226418180382
Energy: 0.9008845215978172
Energy: 0.9136741496172862
Energy: 0.9423574643045597
Energy: 0.8639435756198459
Energy: 0.9109851573961057
Energy: 0.9038535845047655
Energy: 0.8737208573233751
Energy: 0.9112520201719809
Energy: 0.9043507705246238
Energy: 0.8389479349705364
Energy: 0.9159989329974256
Energy: 0.9123546877663871
Energy: 0.9028516911528245
Energy: 0.9173402143084162
Energy: 0.8991345772314199
Energy: 0.8416725353837314
Energy: 0.8701981072316346
Energy: 0.8702104882409734
Energy: 0.8778331675750988
Energy: 0.8697746605328489
Energy: 0.887159583773081
Energy: 0.8430572389306603
Energy: 0.8893520983191476
Energy: 0.8394774250927199
Energy: 0.8443877524368664
Energy: 0.8509738178979493
Energy: 0.8393773001268784
Energy: 0.8390398098120251
Energy: 0.8901312444377197
Energy: 0.8746018041497438
Energy: 0.8393661728337919
Energy: 0.8888064043409833
Energy: 0.8755202170866733
Energy: 0.8354681934049306
Energy: 0.8068977147323941
Energy: 0.8752927817792293
Energy: 0.8655168010201729
Energy: 0.8077946286789424
Energy: 0.8655675751944881
Energy: 0.8442520346244601
Energy: 0.8168791166827201
Energy: 0.8071691191315281
Energy: 0.9059936389451596
Energy: 0.8123290662915924
Energy: 0.8458644783771087
Energy: 0.8061425437463543
Energy: 0.908927996933193
Energy: 0.9053892406929162
Energy: 0.8696577558672485
Energy: 0.9059730057728522
Energy: 0.8867433179962522
Energy: 0.8081676567350842
Energy: 0.8675078302411184
Energy: 0.8063111031963723
Energy: 0.8101324711908472
Energy: 0.8917063802591164
Energy: 0.8071216656464896
Energy: 0.8073081669078958
Energy: 0.8915105252743991
Energy: 0.8681707151371565
Energy: 0.8067731407967464
Energy: 0.8951244518536933
Energy: 0.8660420811579826
Energy: 0.9126359696241649
Energy: 0.8391427360585512
Energy: 0.8736756522808945
Energy: 0.8732894967059229
Energy: 0.8522429116217893
Energy: 0.8715098198483467
Energy: 0.8573408744903784
Energy: 0.840024528500146
Energy: 0.8396505898101764
Energy: 0.869614235556074
Energy: 0.8486798607589172
Energy: 0.8933282584655595
Energy: 0.8103271684746276
Energy: 0.8793186683107316
Energy: 0.8960588538559625
Energy: 0.8561041129720377
Energy: 0.8766918825614359
Energy: 0.8994757772682159
Energy: 0.9115080519199815
Energy: 0.901229511689474
Energy: 0.9030713911697804
Energy: 0.9135427785137967
Energy: 0.8902722907422201
Energy: 0.9113139746289393
Energy: 0.910308690335715
Energy: 0.8922101973581144
Energy: 0.8907844960916736
Energy: 0.9129142021498102
Energy: 0.8917743982856602
Energy: 0.9420777060521033
Energy: 1.0505032051535919
Energy: 0.9391391795701047
Energy: 0.9527743512458765
Energy: 0.9342605988566506
Energy: 0.9380708996425191
Energy: 0.9571762632610631
Energy: 0.8988035731130851
Energy: 1.0414305136497832
Energy: 0.9109412177575361
Energy: 0.8902564849352043
Energy: 1.0411997198674936
Energy: 0.9501049874186362
Energy: 0.8457598317644278
Energy: 1.0392312074031265
Energy: 1.0230322107252103
Energy: 0.8464676400143677
Energy: 1.0461794133515274
Energy: 1.0056302137621613
Energy: 1.187275077468099
Energy: 0.9349421023948918
Energy: 0.9399885193362445
Energy: 0.9345523711424738
Energy: 0.9620568566472876
Energy: 0.9568198556408483
Energy: 1.2323482343356627
Energy: 0.9339239074382827
Energy: 0.9335817042395683
Energy: 1.04136202889598
Energy: 0.9334943373046313
Energy: 1.0609586020780102
Energy: 1.2443716689666648
Energy: 1.0187783596808264
Energy: 1.0109438046636985
Energy: 1.0190919228085074
Energy: 1.0208371077112288
Energy: 1.013496777915179
Energy: 0.8150736035691946
Energy: 1.059054610112093
Energy: 0.958843807432159
Energy: 0.8647576774784219
Energy: 1.0553691267120249
Energy: 0.9601871862469056

minimum gb energy = 0.8061425437463543 eV
minimum distance =  2.27344113781858 Angstroms
sigma value = 43


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

Energy: 0.7091231640217953
Energy: 1.0258646743285351
Energy: 0.9257689578368435
Energy: 0.8345131360316235
Energy: 0.9466849235039693
Energy: 0.8685264615358319
Energy: 1.0247070633157873
Energy: 0.8315297576876441
Energy: 0.8150710477547343
Energy: 0.8719584573768658
Energy: 0.825326566541592
Energy: 0.814459399140327
Energy: 1.0656045569906836
Energy: 0.7675721696627755
Energy: 0.7960305303491538
Energy: 0.9228635337537802
Energy: 0.7671669626080727
Energy: 0.8071185668214345
Energy: 0.9473408274402219
Energy: 0.7964243454202432
Energy: 0.808604587088072
Energy: 0.8285767949557609
Energy: 0.7710854804830755
Energy: 0.8516437605346746
Energy: 0.7328995011417634
Energy: 0.8123397700396149
Energy: 0.8139718316613143
Energy: 0.733071461435759
Energy: 0.8246971452952323
Energy: 0.8125263480410587
Energy: 0.8504366239710697
Energy: 0.8206219713636774
Energy: 0.7891707193906445
Energy: 0.7468960189941469
Energy: 0.8204684314606829
Energy: 0.7627912510007057
Energy: 1.0020690001422288
Energy: 0.8208797492740693
Energy: 0.8219891364131708
Energy: 0.7727234142246132
Energy: 0.8212335742476741
Energy: 0.7711506243301458
Energy: 0.9732867231384547
Energy: 0.7448321581436895
Energy: 0.7566488045405284
Energy: 0.7717308337317359
Energy: 0.741760653116983
Energy: 0.7561029543671062
Energy: 0.7608447989265175
Energy: 0.7556739926265185
Energy: 0.7573961040748414
Energy: 0.7629285729285297
Energy: 0.702408401422436
Energy: 0.7572571519821163
Energy: 0.7918282323811449
Energy: 0.7467865496883475
Energy: 0.7473370142013078
Energy: 0.7438189765057246
Energy: 0.7460470495080904
Energy: 0.747609534955488
Energy: 0.681991810671931
Energy: 0.7178568057315959
Energy: 0.7468189083709413
Energy: 0.7627419123936222
Energy: 0.7176821761358989
Energy: 0.7401964974153574
Energy: 0.7574862864505736
Energy: 0.7182528811399669
Energy: 0.7181258429064339
Energy: 0.7502823401333907
Energy: 0.7187771051543986
Energy: 0.7521546869905493
Energy: 0.6954201476851808
Energy: 0.7595386945943209
Energy: 0.7692743175474184
Energy: 0.7634557729687869
Energy: 0.7587629439450938
Energy: 0.7698559559288761
Energy: 0.695397383616929
Energy: 0.7398837487533804
Energy: 0.6948877468966312
Energy: 0.6974705566817057
Energy: 0.8158505410695986
Energy: 0.6952144525853308
Energy: 0.69475000052735
Energy: 0.7307209155456285
Energy: 0.7299557087847471
Energy: 0.6949497512082258
Energy: 0.7322495158863253
Energy: 0.7364050420285051
Energy: 0.6859012235972061
Energy: 0.6843875073512202
Energy: 0.6842651834218514
Energy: 0.7311164578524777
Energy: 0.6845243656611989
Energy: 0.7433679971659795
Energy: 0.6988254464255754
Energy: 0.6844677221922395
Energy: 0.6840439182485887
Energy: 0.7220683256661043
Energy: 0.6847269109975285
Energy: 0.7338789116061543
Energy: 0.6836179609457534
Energy: 0.7555596214459992
Energy: 0.755171933326484
Energy: 0.6841482225030522
Energy: 0.7528568543713664
Energy: 0.7434848098620561
Energy: 0.6845734701270949
Energy: 0.7768904723466105
Energy: 0.6843963241089552
Energy: 0.6856404264906962
Energy: 0.8103545008814724
Energy: 0.6845441670255246
Energy: 0.6839552321452275
Energy: 0.7558056344285685
Energy: 0.7599570116024467
Energy: 0.6841716571546947
Energy: 0.7563940658916842
Energy: 0.7576272216000537
Energy: 0.7224393655125286
Energy: 0.6951539358660532
Energy: 0.6947499151331055
Energy: 0.7414574097843157
Energy: 0.6955882107682051
Energy: 0.7419671310825215
Energy: 0.6860947945268174
Energy: 0.6949605360459677
Energy: 0.6953536964324076
Energy: 0.7339633729967405
Energy: 0.6949893662326044
Energy: 0.7343125255502934
Energy: 0.7181123598231737
Energy: 0.7360258548292463
Energy: 0.7355773022798182
Energy: 0.7188456502883682
Energy: 0.7245212873106058
Energy: 0.7359670675447089
Energy: 0.7187107316906819
Energy: 0.7525608229534397
Energy: 0.7179469051843148
Energy: 0.7209749673899568
Energy: 0.764720098349444
Energy: 0.7182090530692637
Energy: 0.9451700066101475
Energy: 0.7526953584560707
Energy: 0.7678640957250021
Energy: 0.7466812796393927
Energy: 0.7524324309381626
Energy: 0.7679330594249318
Energy: 0.8262251187993942
Energy: 0.7574780435873906
Energy: 0.7580143913936909
Energy: 0.7571485108342181
Energy: 0.7576478375665682
Energy: 0.7573184357053925
Energy: 0.6851599281913582
Energy: 0.7572862984542231
Energy: 0.7725935592976373
Energy: 0.7568425762933425
Energy: 0.757308645412846
Energy: 0.7502459356491741
Energy: 0.7577246768503935
Energy: 0.7728860652450412
Energy: 0.7739386503173188
Energy: 0.7187664174860117
Energy: 0.7722319997245375
Energy: 0.7708517184775481
Energy: 0.8237774068265935
Energy: 0.7749306280056917
Energy: 0.8208962766813181
Energy: 0.8260672686258823
Energy: 0.7177779840161808
Energy: 0.8207980649084717
Energy: 1.0087564586993694
Energy: 0.7567928476912436
Energy: 0.7757099424371232
Energy: 0.8211899582654321
Energy: 0.7560320203895752
Energy: 0.7756824857720037
Energy: 1.0324872399224514
Energy: 0.8257698891414905
Energy: 0.8266231494124323
Energy: 0.8252812211408719
Energy: 0.8255152350422343
Energy: 0.8146133655233098
Energy: 0.8609501430878945
Energy: 0.9228045751316322
Energy: 0.8146993239155186
Energy: 0.7860572195568246
Energy: 0.9227045114718684
Energy: 0.7950970210000328
Energy: 0.7569458931657203
Energy: 0.8610017059579034
Energy: 0.856615350299186
Energy: 0.7644218124050546
Energy: 0.8825784031326137
Energy: 0.8481069130117128
Energy: 1.0361829111104017
Energy: 0.8278613099943595
Energy: 0.8132359168451279
Energy: 0.8284049349373567
Energy: 0.8504731443049326
Energy: 0.8710592764449632
Energy: 1.06519753156247
Energy: 0.8020045073673255
Energy: 0.8319703542910205
Energy: 0.9229764229665267
Energy: 0.8002840546735585
Energy: 0.8318677068573608
Energy: 1.0247070650718113
Energy: 0.8785921265689214
Energy: 0.8615231898757834
Energy: 0.872143271735284
Energy: 0.8708246764728848
Energy: 0.8578975755210384

minimum gb energy = 0.681991810671931 eV
minimum distance =  2.31946143396013 Angstroms
sigma value = 81


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

Energy: 0.08663808293114535
Energy: 0.13693437301752442
Energy: 0.08759696096377591
Energy: 0.08949370579835227
Energy: 0.09190432750195156
Energy: 0.08737489286449883
Energy: 0.13816529102895306
Energy: 0.08800603881369932
Energy: 0.0883637419294811
Energy: 0.13954157291406669
Energy: 0.09316740362606513
Energy: 0.08854445854477201
Energy: 0.137636514559287
Energy: 0.08728252952404507
Energy: 0.0872101537942653
Energy: 0.1373626634277742
Energy: 0.08712517348993715
Energy: 0.13698543095667598
Energy: 0.09289220716158574
Energy: 0.08727564258763637
Energy: 0.0873614684185559
Energy: 0.09238495491510283
Energy: 0.0871469889966036
Energy: 0.13766909860913573
Energy: 0.13704318970032572
Energy: 0.13787768083614876
Energy: 0.1379630665156723
Energy: 0.1382833497862357
Energy: 0.13716523489483767
Energy: 0.13732798693437687
Energy: 0.08803967440083318
Energy: 0.08894748782745354
Energy: 0.08713754918510272
Energy: 0.09004477098322124
Energy: 0.08849174598035163
Energy: 0.08754742418524088
Energy: 0.14018512664717234
Energy: 0.08841660807994643
Energy: 0.0886101924195685
Energy: 0.13837285296929974
Energy: 0.08823841235756612
Energy: 0.0885845780370991
Energy: 0.13706753699751045
Energy: 0.087403597487452
Energy: 0.08743969486478576
Energy: 0.13764330099686056
Energy: 0.08719521342288437
Energy: 0.13965210664698866
Energy: 0.08964410319161063
Energy: 0.08742411271920654
Energy: 0.1387690062714032
Energy: 0.09086096021620937
Energy: 0.08734844674984599
Energy: 0.13968619823465922
Energy: 0.08774972225790419
Energy: 0.13706388893244797
Energy: 0.1372053297473036
Energy: 0.08757251312290062
Energy: 0.1371099604743194
Energy: 0.13737076550617597

minimum gb energy = 0.08663808293114535 eV
minimum distance =  2.46424200540932 Angstroms
sigma value = 3


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

Energy: 0.9097075528418682
Energy: 0.9325262375952165
Energy: 0.882557451877283
Energy: 0.8072356598811744
Energy: 0.8923874645547863
Energy: 0.8085656109248694
Energy: 0.8640390871352932
Energy: 0.9046694413407724
Energy: 0.887311610697669
Energy: 0.8867839114216848
Energy: 0.9096421197775157
Energy: 0.9061028491205569
Energy: 0.9072366328492035
Energy: 0.8097260502841176
Energy: 0.8094045495184412
Energy: 0.9037298260670316
Energy: 0.8330690301755401
Energy: 0.8895742091026152
Energy: 0.8372305437564059
Energy: 0.8334722235701356
Energy: 0.8095222571767289
Energy: 0.8371604752974254
Energy: 0.7505151875355662
Energy: 0.8902032210832765
Energy: 0.7597248591732804
Energy: 0.924700256381187
Energy: 0.9226995328452606
Energy: 0.759879954053728
Energy: 0.9090490904594654
Energy: 0.9044726675220741
Energy: 0.7920384666548482
Energy: 0.8875575031066679
Energy: 0.8231027774233325
Energy: 0.7081284079621124
Energy: 0.903603669547267
Energy: 0.7528472538504666
Energy: 0.8352143239477424
Energy: 0.7698710292894986
Energy: 0.7732828609815703
Energy: 0.8359346427967834
Energy: 0.7701169599458172
Energy: 0.8389246886256225
Energy: 0.8370959408504499
Energy: 0.7677611307113528
Energy: 0.7637111818401994
Energy: 0.8372217676807038
Energy: 0.6749817272352245
Energy: 0.7624160526487429
Energy: 0.8905121926430353
Energy: 0.7987258780538216
Energy: 0.8504194394691966
Energy: 0.857174089146057
Energy: 0.7103449927313749
Energy: 0.850223934141543
Energy: 0.7164310190777062
Energy: 0.7701534833135524
Energy: 0.769736489322453
Energy: 0.7169890909279194
Energy: 0.7752350902493026
Energy: 0.7730040871790034
Energy: 0.8498665207405772
Energy: 0.7725603387959673
Energy: 0.7722937184205041
Energy: 0.6818203397101139
Energy: 0.8567888392154934
Energy: 0.7125821008826881
Energy: 0.7164956227446366
Energy: 0.7733780588362152
Energy: 0.7722328274786152
Energy: 0.7163922410103649
Energy: 0.7728340629321688
Energy: 0.7162630303443249
Energy: 0.7177641340416918
Energy: 0.736268848232568
Energy: 0.7207940591291697
Energy: 0.7179290891995868
Energy: 0.6622428354912314
Energy: 0.7181595157494127
Energy: 0.8388248147590469
Energy: 0.6827771058506799
Energy: 0.7197037871809291
Energy: 0.7212668817699028
Energy: 0.6818957020441456
Energy: 0.7199793740249032
Energy: 0.8382101654779807
Energy: 0.6817256158106914
Energy: 0.6815501968223426
Energy: 0.838803727380296
Energy: 0.6878070646914037
Energy: 0.6816273190635388
Energy: 0.8347120127999768
Energy: 0.6840196004386941
Energy: 0.7530648302101426
Energy: 0.6646448328525204
Energy: 0.8261358597777146
Energy: 0.7512076481082199
Energy: 0.6642393484697303
Energy: 0.6836782754487345
Energy: 0.7397447225293593
Energy: 0.6642108181475906
Energy: 0.6836597864131785
Energy: 0.6640054889953555
Energy: 0.6646058600711234
Energy: 0.7921569875199406
Energy: 0.8173788670673254
Energy: 0.664664720951851
Energy: 0.6644617883812864
Energy: 0.6653564557458774
Energy: 0.8239310614573149
Energy: 0.6654095170021562
Energy: 0.8049257568876919
Energy: 0.669103257413289
Energy: 0.6649955206765444
Energy: 0.7920484532719624
Energy: 0.8319537965619879
Energy: 0.6641579816838746
Energy: 0.6639679959467142
Energy: 0.833576114610151
Energy: 0.6709349178597087
Energy: 0.6644676231532715
Energy: 0.8334250182715279
Energy: 0.8006758633664197
Energy: 0.7992005949796498
Energy: 0.7659216443596837
Energy: 0.8007028198481818
Energy: 0.7977641118215261
Energy: 0.6844820717050173
Energy: 0.8008290061180005
Energy: 0.6847479228106108
Energy: 0.6822586437264062
Energy: 0.8004126148404371
Energy: 0.6816821991057421
Energy: 0.6815936748380579
Energy: 0.8295755519495429
Energy: 0.8305908775732529
Energy: 0.6815975789165801
Energy: 0.7191610641617628
Energy: 0.7217696955636255
Energy: 0.839455427231068
Energy: 0.717886603748911
Energy: 0.7182635674819634
Energy: 0.6673083139279268
Energy: 0.7174255934424622
Energy: 0.6942713828757767
Energy: 0.7679789404595043
Energy: 0.716567081887366
Energy: 0.7164086390296228
Energy: 0.7701197540698547
Energy: 0.7173077122474742
Energy: 0.7167678155660016
Energy: 0.8599320760853859
Energy: 0.7376304312862162
Energy: 0.7383689433710553
Energy: 0.8572496768793705
Energy: 0.7141751670336851
Energy: 0.7729905423939738
Energy: 0.7743795124880498
Energy: 0.7395539921671361
Energy: 0.7397522850964467
Energy: 0.7745328011023481
Energy: 0.7775492200153649
Energy: 0.7722640090741822
Energy: 0.7350563951233139
Energy: 0.8931056017003716
Energy: 0.8878705563406308
Energy: 0.734992362044447
Energy: 0.8901835232151184
Energy: 0.8538504099270133
Energy: 0.8579654334318328
Energy: 0.8377193660380138
Energy: 0.7967519076016071
Energy: 0.6905561599611565
Energy: 0.8374034170570313
Energy: 0.7311431408693676
Energy: 0.7699250984136562
Energy: 0.8513952340258614
Energy: 0.8540554076744767
Energy: 0.7696748484309129
Energy: 0.8371083615354122
Energy: 0.839952511817683
Energy: 0.9202576801178879
Energy: 0.7286570885734006
Energy: 0.785920594979765
Energy: 0.9217024062458149
Energy: 0.6850534823107748
Energy: 0.7847585354050517
Energy: 0.9079980706111016
Energy: 0.8231391127492443
Energy: 0.8980680843180928
Energy: 0.9082051936321317
Energy: 0.7280622458691429
Energy: 0.9237244932953743
Energy: 0.7832253439169513
Energy: 0.8366939917977181
Energy: 0.8366130731296667
Energy: 0.7831881405797472
Energy: 0.8380984352635842
Energy: 0.8614913114668776

minimum gb energy = 0.6622428354912314 eV
minimum distance =  2.27501551919066 Angstroms
sigma value = 67


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

Energy: 1.1210793163825046
Energy: 1.102268526362188
Energy: 1.0505922281304767
Energy: 0.8513308297114531
Energy: 1.0604789685221794
Energy: 1.0460104626867337
Energy: 1.0134969552474444
Energy: 1.0640984653616188
Energy: 1.05955505045608
Energy: 1.0541180616986334
Energy: 1.0624455528637626
Energy: 1.067539251992335
Energy: 1.1343523096335208
Energy: 0.9590496880256436
Energy: 1.0631368335950557
Energy: 1.0572783834926607
Energy: 0.881739024233834
Energy: 1.0633048229855135
Energy: 1.0611803939394822
Energy: 1.0257397775357773
Energy: 1.07460745914932
Energy: 1.062600511747399
Energy: 1.0252698871024046
Energy: 1.0755546792164459
Energy: 0.9668492046885876
Energy: 1.0625141570264462
Energy: 1.0881646940708876
Energy: 0.9670685933764084
Energy: 1.0609397807427714
Energy: 1.07862605814501
Energy: 0.942780159235165
Energy: 1.0509011669891857
Energy: 0.9639079940743861
Energy: 0.8834771856705962
Energy: 1.0681228254751078
Energy: 0.9639136598709249
Energy: 0.9667594214284011
Energy: 0.9910195119279147
Energy: 0.9839674069006755
Energy: 0.967162664140058
Energy: 0.99000156677229
Energy: 0.9852336859306293
Energy: 0.9785427631153796
Energy: 0.8412290266179216
Energy: 0.8776299688190975
Energy: 0.9696441257876538
Energy: 0.8352939947011269
Energy: 0.9677299518392095
Energy: 1.0336743200725083
Energy: 0.9816767976735125
Energy: 0.9881289853557573
Energy: 0.9866111700508211
Energy: 0.8806035567761562
Energy: 0.9923129223771415
Energy: 0.9379711410213573
Energy: 0.8863922185895632
Energy: 0.8821558073394855
Energy: 0.9417972268097974
Energy: 0.8845063204132708
Energy: 0.8809967100626526
Energy: 0.937633033604644
Energy: 0.8811084189320659
Energy: 0.8811424288756916
Energy: 0.8362499860102075
Energy: 1.0207366874779198
Energy: 0.8807213630677547
Energy: 0.8352079106901734
Energy: 0.880869224159485
Energy: 0.9981841260663777
Energy: 0.8353805953652576
Energy: 0.880448784868562
Energy: 0.8347808260000963
Energy: 0.8358736888431144
Energy: 0.8433316208240845
Energy: 0.9868012450210886
Energy: 0.8357915167739542
Energy: 0.8377755021162193
Energy: 0.8345133320820013
Energy: 1.0255392746887404
Energy: 0.8601274430135347
Energy: 0.8726979384475508
Energy: 0.83557234822905
Energy: 0.8327180448358642
Energy: 0.9853016661889981
Energy: 1.0103991822355107
Energy: 0.8397930293299821
Energy: 0.8356162847607908
Energy: 1.0122500477676546
Energy: 0.8359616785244933
Energy: 0.8353136914318946
Energy: 1.0119308214513458
Energy: 0.8922562543332937
Energy: 0.9910583069523767
Energy: 0.8826502512413206
Energy: 0.8352008809684099
Energy: 0.8831682736348049
Energy: 0.8876933664883592
Energy: 0.8308131507566305
Energy: 0.8463095848989249
Energy: 0.8888346605812835
Energy: 0.8243118871363384
Energy: 0.880748574193765
Energy: 0.8816886497332612
Energy: 1.0331438273666873
Energy: 1.0357606696031605
Energy: 0.8818358844654768
Energy: 1.0307132301117359
Energy: 0.8805169942380108
Energy: 1.0271992287691873
Energy: 1.0203199598054535
Energy: 0.9134046061308574
Energy: 0.8504653907982239
Energy: 1.0704084024116798
Energy: 0.9145219048412313
Energy: 0.8812355952574271
Energy: 0.9729478404681605
Energy: 0.9962654107484397
Energy: 0.8808198494541539
Energy: 0.9699584038668853
Energy: 0.9890617419107051
Energy: 1.0773663879484467
Energy: 0.924970632438519
Energy: 1.0451239393215956
Energy: 1.0791493358090782
Energy: 0.9120883366091009
Energy: 1.0496616941214678
Energy: 1.0785114201010861
Energy: 0.9319832003309952
Energy: 1.0502716110182553
Energy: 1.0564942772959949
Energy: 0.8477209829914376
Energy: 1.039582888202899
Energy: 1.013353261494301
Energy: 0.9781909144732278
Energy: 0.9718949959110148
Energy: 1.0160668062488585
Energy: 0.9747036841212617
Energy: 0.9874359920826645

minimum gb energy = 0.8243118871363384 eV
minimum distance =  2.26907531453845 Angstroms
sigma value = 33


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

Energy: 1.3046510746439355
Energy: 1.2516719358271138
Energy: 1.2573953303288599
Energy: 0.9848036311995794
Energy: 1.0878141492163749
Energy: 1.143601135427802
Energy: 1.1096533398151682
Energy: 1.1568601141575874
Energy: 1.1781166103051421
Energy: 1.1616613383273884
Energy: 1.1614674104535618
Energy: 1.1757021120290354
Energy: 1.2022313997019933
Energy: 1.0415634827668394
Energy: 1.11629348452764
Energy: 1.1707959186101873
Energy: 1.0424032658311184
Energy: 1.1747262481560479
Energy: 1.163643563997022
Energy: 1.1135489236911964
Energy: 1.115799581612582
Energy: 1.1607267359326001
Energy: 1.1140585662371933
Energy: 1.1684289201977767
Energy: 1.0480737031710596
Energy: 1.1571811667676168
Energy: 1.1789254229712263
Energy: 1.0469670810623413
Energy: 1.1632650553995083
Energy: 1.1765289600676005
Energy: 1.0727043234257345
Energy: 1.0537070666391815
Energy: 1.1907728209642952
Energy: 0.9503144720660599
Energy: 0.9561491323678286
Energy: 1.043259495278128
Energy: 1.0476963532749954
Energy: 1.0687752275661786
Energy: 1.073314996499603
Energy: 1.047118576529843
Energy: 1.174209250813892
Energy: 1.0650230881528966
Energy: 1.047719305415765
Energy: 0.95307865280533
Energy: 0.9550784398845726
Energy: 1.047854696199077
Energy: 0.9585605677687355
Energy: 1.0681339296163948
Energy: 1.136945135582179
Energy: 1.0594765150185088
Energy: 1.0575370905514214
Energy: 1.066717941970358
Energy: 0.9527301532858443
Energy: 1.0696544107694823
Energy: 1.1440078806387937
Energy: 0.9543198797870922
Energy: 0.9541120071198003
Energy: 1.0466294319045417
Energy: 0.9555234035801078
Energy: 0.9539823051430911
Energy: 1.1401812161651677
Energy: 0.9568300644198248
Energy: 0.9544208642387787
Energy: 0.9571774875088288
Energy: 0.952863305200224
Energy: 1.0041828504502481
Energy: 0.9539256805842671
Energy: 0.9565232496816166
Energy: 0.956838632106686
Energy: 0.9539782604929142
Energy: 0.9748995481188235
Energy: 0.9543794062940898
Energy: 0.9534448170598719
Energy: 1.067231889543795
Energy: 0.9538650184609082
Energy: 0.9533858541713177
Energy: 1.0659361827037643
Energy: 0.953736085006232
Energy: 0.9309320278478516
Energy: 1.0503075171795806
Energy: 1.068655965008462
Energy: 0.9323034465848836
Energy: 1.097976658771882
Energy: 0.9748401171075097
Energy: 0.9274150662042191
Energy: 1.0478006162286597
Energy: 1.0700901983250626
Energy: 1.047384409676552
Energy: 1.0485893905607118
Energy: 1.0736179154975931
Energy: 1.1747545181882468
Energy: 1.0765089580950558
Energy: 1.152822808000589
Energy: 1.176751695540458
Energy: 0.9747136642127822
Energy: 1.1764623624242823
Energy: 1.2764046070376949
Energy: 0.975372765225265
Energy: 0.9764169788187157
Energy: 1.053097553547556
Energy: 0.9807206824844372
Energy: 1.1479747186410905
Energy: 1.2023870532973362
Energy: 1.1578087240561292
Energy: 1.0623522388978381
Energy: 1.1637636962479572
Energy: 1.1605277759585313
Energy: 1.1555223137977586
Energy: 1.1971428095275711
Energy: 1.0536217459496418
Energy: 1.2174317630901244
Energy: 0.9730163586263584
Energy: 1.0534088487751259
Energy: 1.1049011061225156
Energy: 1.1095862537922254
Energy: 1.1574217037139132
Energy: 1.1554830572869241
Energy: 1.112470789340479
Energy: 1.1628499473418805
Energy: 1.176051301968248
Energy: 1.202863904781228
Energy: 1.1133121767161356
Energy: 1.1139516364330004
Energy: 1.1714695497125571
Energy: 1.0594437706304203
Energy: 1.1668352574562186
Energy: 1.1715209073562929
Energy: 1.0418419210610819
Energy: 1.1160966626122675
Energy: 1.1709262297963716
Energy: 1.0459128159383133
Energy: 1.1744352317827946
Energy: 1.0482863922123606
Energy: 1.1552417362932357
Energy: 1.1784641318350941
Energy: 1.0477597513476178
Energy: 1.1612232245379377
Energy: 1.1764042166299638
Energy: 1.07604520514202
Energy: 0.9530523394978813
Energy: 1.053313048357284
Energy: 0.9504998764032451
Energy: 0.9555045376276401
Energy: 1.042244163838923
Energy: 1.0475725172085988
Energy: 1.177248674843741
Energy: 1.1762740520334425
Energy: 1.0468675724998981
Energy: 1.1730050848366924
Energy: 1.0649619186274664
Energy: 1.055199266236696
Energy: 0.9530521000110378
Energy: 1.0038598686119782
Energy: 1.0475304890909862
Energy: 0.958163467221584
Energy: 1.0687245572402846
Energy: 1.1401791443048024
Energy: 0.954352178814441
Energy: 1.0574292501201912
Energy: 1.0682090621066305
Energy: 0.9779804286688499
Energy: 1.0699542575731174
Energy: 1.140856208599759
Energy: 0.9540475019244021
Energy: 0.9542140185891733
Energy: 1.069054215815417
Energy: 0.9564491144018584
Energy: 0.9542327084719235
Energy: 1.1398999734206676
Energy: 0.9555151129318417
Energy: 0.9555223987387768
Energy: 0.9583187967953889
Energy: 0.9539896051607515
Energy: 1.0046301388580747
Energy: 0.9535819678178189
Energy: 0.9543007152826154
Energy: 0.9558132894617791
Energy: 0.9535974692008317
Energy: 0.9763476648726312
Energy: 0.9539829255149448
Energy: 0.95360060850427
Energy: 1.0676780126582242
Energy: 0.953464093078626
Energy: 0.9536998805600762
Energy: 1.0669246862219968
Energy: 0.9536478088542372
Energy: 0.9287289272513745
Energy: 1.0490777823418276
Energy: 1.0693724457538918
Energy: 0.9311507905196617
Energy: 1.0699163066047883
Energy: 0.9756585343288713
Energy: 0.927750547779326
Energy: 1.048650243780862
Energy: 1.0703050422337377
Energy: 0.9279794833180223
Energy: 1.0497093541632796
Energy: 1.0089935635666807
Energy: 1.1693207651277255
Energy: 1.0761166866690064
Energy: 1.0710155717117056
Energy: 1.1731355989580747
Energy: 0.9750485046578551
Energy: 1.17608521337532
Energy: 1.235403198353222
Energy: 0.9756130815209277
Energy: 0.977002930232942
Energy: 1.169921095949873
Energy: 0.9253407984657853
Energy: 1.1307888326533355
Energy: 1.202653287021194
Energy: 1.047744428046702
Energy: 1.1570976048313804
Energy: 1.1618352046977465
Energy: 1.0492856165122697
Energy: 1.1562469107716067
Energy: 1.2008141929568008
Energy: 1.053903977428031
Energy: 1.2172424717043362
Energy: 0.9788143840503657
Energy: 1.053649007992754
Energy: 1.1070838876194655

minimum gb energy = 0.9253407984657853 eV
minimum distance =  2.26562665553847 Angstroms
sigma value = 41


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

Energy: 1.3984392932752028
Energy: 1.1084113145075987
Energy: 1.110763600749819
Energy: 1.114409039818729
Energy: 1.146605711468352
Energy: 1.1069996645455402
Energy: 1.197393325407427
Energy: 1.2688070431411276
Energy: 1.2342643821163441
Energy: 1.2638804384095104
Energy: 1.2649983428689533
Energy: 1.2269557473086106
Energy: 1.3679514118434513
Energy: 1.1401554556657396
Energy: 1.1068538767857614
Energy: 1.1469443632274745
Energy: 1.1449286659494502
Energy: 1.141295328349854
Energy: 1.168227893699061
Energy: 1.1414695434639113
Energy: 1.1072503398254947
Energy: 1.1475339305369787
Energy: 1.1467759989466
Energy: 1.146337251689989
Energy: 1.1444086157790274
Energy: 1.1463171163213934
Energy: 1.1105712148811746
Energy: 1.147304699211835
Energy: 1.1703555448135545
Energy: 1.1108656608521643
Energy: 1.2110207231358285
Energy: 1.1495589010254703
Energy: 1.1112963128315638
Energy: 1.1136167055608754
Energy: 1.1629711519116637
Energy: 1.1111974602560444
Energy: 1.144701309668706
Energy: 1.2281598456165403
Energy: 1.113932148495945
Energy: 1.145150583360434
Energy: 1.2282461991856588
Energy: 1.1140230324585767
Energy: 1.1477087356700153
Energy: 1.1110399651424954
Energy: 1.1121817092796578
Energy: 1.1492083372561703
Energy: 1.173949723058258
Energy: 1.1449575449525484
Energy: 1.2837569828588267
Energy: 1.1131319151884491
Energy: 1.1095412238238254
Energy: 1.0900329440372594
Energy: 1.1622920249835251
Energy: 1.1090184194531663
Energy: 1.2119686067126232
Energy: 1.1533410943552385
Energy: 1.1158173127410131
Energy: 1.1166052316237651
Energy: 1.1461516042926723
Energy: 1.1096691510204213
Energy: 1.2993803541797615
Energy: 1.1106513224978882
Energy: 1.1327677533974316
Energy: 1.2309665379014336
Energy: 1.0862281077645015
Energy: 1.2256755823630519
Energy: 1.3577901171209072
Energy: 1.0853129045553132
Energy: 1.0854913609507855
Energy: 1.3585222895132951
Energy: 1.0856291940723815
Energy: 1.1647993291013368
Energy: 1.3692231818956828
Energy: 1.2887048930432106
Energy: 1.1341031796602992
Energy: 1.172232337074565
Energy: 1.2695962775638807
Energy: 1.1333591479543375
Energy: 1.0829988507661115
Energy: 1.1475333207942102
Energy: 1.08599189762464
Energy: 1.0911757212746644
Energy: 1.1460641508386713
Energy: 1.0866396869631962

minimum gb energy = 1.0829988507661115 eV
minimum distance =  2.30718539072159 Angstroms
sigma value = 11


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

Energy: 1.9306774799443283
Energy: 1.3406342366102137
Energy: 1.370434483933
Energy: 1.3658294252745842
Energy: 1.4807293499748124
Energy: 1.3322407134427063
Energy: 1.4321907563577878
Energy: 1.3104924767418606
Energy: 1.3320488676078397
Energy: 1.3624415475799536
Energy: 1.309542579452496
Energy: 1.2878468048646516
Energy: 1.4910284064137638
Energy: 1.3173590360478262
Energy: 1.3219205794885456
Energy: 1.4253179673171583
Energy: 1.3168104898355466
Energy: 1.291363633533892
Energy: 1.3957811359008243
Energy: 1.2826475201899654
Energy: 1.2898501549744203
Energy: 1.3438361878637233
Energy: 1.2823869907688648
Energy: 1.2896085634136676
Energy: 1.3808543215363867
Energy: 1.3113480442953624
Energy: 1.3057449181226162
Energy: 1.3387372615304904
Energy: 1.3094479778603616
Energy: 1.3510730581244246
Energy: 1.4055611934923078
Energy: 1.31811480650985
Energy: 1.3275268413807964
Energy: 1.3455542809027188
Energy: 1.3238835836953458
Energy: 1.3288823595667285
Energy: 1.3133773820138062
Energy: 1.3288666023555178
Energy: 1.32927633522374
Energy: 1.3135891155908759
Energy: 1.3291958791112988
Energy: 1.322465472410108
Energy: 1.3134110205865608
Energy: 1.3504974317034346
Energy: 1.342496507829932
Energy: 1.308317492570665
Energy: 1.3637865232660245
Energy: 1.3327864319917844
Energy: 1.3000608185033597
Energy: 1.342126445937109
Energy: 1.327024860179509
Energy: 1.2743120975663305
Energy: 1.3423277177033714
Energy: 1.2877367941518976
Energy: 1.3000687034555491
Energy: 1.3424206828702214
Energy: 1.3256763158704592
Energy: 1.2752541714407761
Energy: 1.3424182468173234
Energy: 1.287822607226355
Energy: 1.3133973844416849
Energy: 1.3548659576816917
Energy: 1.3434750000606124
Energy: 1.307387999185787
Energy: 1.3320246157835924
Energy: 1.3325493397473482
Energy: 1.3047144967132762
Energy: 1.2981742719553118
Energy: 1.336736490108695
Energy: 1.3065393753396979
Energy: 1.3374628396448225
Energy: 1.3237746581035932
Energy: 1.3015130133903858
Energy: 1.3374213170465896
Energy: 1.335573207739786
Energy: 1.3018776755168773
Energy: 1.352082906087993
Energy: 1.2884393742617368
Energy: 1.35437748820038
Energy: 1.337374568129904
Energy: 1.3402455144790306
Energy: 1.3237575813008327
Energy: 1.3724281980223556
Energy: 1.3264930915287607
Energy: 1.2875833342734815
Energy: 1.3368255782705343
Energy: 1.3349585525931478
Energy: 1.3051215267635958
Energy: 1.3360996427428746
Energy: 1.2883483622718483
Energy: 1.2889346091113953
Energy: 1.336836069156596
Energy: 1.3338037206882178
Energy: 1.2903627313726798
Energy: 1.3382651614684398
Energy: 1.3213076949371265
Energy: 1.285957015275052
Energy: 1.3351737677678706
Energy: 1.3318915782080503
Energy: 1.3068689059533576
Energy: 1.3272177914543866
Energy: 1.3067901867299407
Energy: 1.4566910885976472
Energy: 1.358558280994392
Energy: 1.3532030762831881
Energy: 1.3215372517357225
Energy: 1.3557071576871427
Energy: 1.320533640156289
Energy: 1.3320530581473347
Energy: 1.3413989238031394
Energy: 1.3377526969120581
Energy: 1.3360593330341277
Energy: 1.3384201355046381
Energy: 1.3354368433422328
Energy: 1.3626074153836754
Energy: 1.2837310204587191
Energy: 1.2860445876475475
Energy: 1.3250137872186005
Energy: 1.283544858952621
Energy: 1.3260833927364921
Energy: 1.3861080916072863
Energy: 1.283415602882618
Energy: 1.321041205798089
Energy: 1.3267363983727065
Energy: 1.2843334275477867
Energy: 1.3368827308789923
Energy: 1.3094202072091174
Energy: 1.3409088534903604
Energy: 1.340658339878061
Energy: 1.3365443151479666
Energy: 1.3265335773221654
Energy: 1.3413871667931359
Energy: 1.2957533843653815
Energy: 1.3302263817999087
Energy: 1.2862589278589338
Energy: 1.3149249281871087
Energy: 1.3270516815278515
Energy: 1.287227272407941
Energy: 1.386662083131052
Energy: 1.3454299324391183
Energy: 1.32732738922012
Energy: 1.3368277467973206
Energy: 1.336896977014409
Energy: 1.336700920283462
Energy: 1.3882748911609197
Energy: 1.3296268968575018
Energy: 1.330076930070486
Energy: 1.3890694029570896
Energy: 1.325405499768576
Energy: 1.3304028897292437
Energy: 1.4091943120449644
Energy: 1.316762112859338
Energy: 1.3042327193969272
Energy: 1.3383147481701698
Energy: 1.3164159111155833
Energy: 1.3272153185197095
Energy: 1.4213244046814206
Energy: 1.288032014141634
Energy: 1.2886284479540713
Energy: 1.3386141808093968
Energy: 1.2897600102168487
Energy: 1.288573499992438
Energy: 1.3840353891226866
Energy: 1.3597111763072809
Energy: 1.2893533332701834
Energy: 1.3360876618365898
Energy: 1.3049748155458767
Energy: 1.3339158030929628
Energy: 1.4915090368573867
Energy: 1.3305285162943923
Energy: 1.3333636955291408
Energy: 1.4910610278969798
Energy: 1.3129190112558633
Energy: 1.3317656416329435
Energy: 1.4900906091189676
Energy: 1.31796582417056
Energy: 1.2886357435001972
Energy: 1.3373171335497198
Energy: 1.3037051153707213
Energy: 1.333051576645728
Energy: 1.3783824507189633
Energy: 1.3120367602320648
Energy: 1.3345777291561571
Energy: 1.2807187997631668
Energy: 1.309992317003905
Energy: 1.2756599740388834

minimum gb energy = 1.2743120975663305 eV
minimum distance =  2.28255239335898 Angstroms
sigma value = 57


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

Energy: 1.7223575430772549
Energy: 1.4648108925169119
Energy: 1.465453195535605
Energy: 1.4648944592012707
Energy: 1.8476287357052918
Energy: 1.4696348849626606
Energy: 1.3044096614181757
Energy: 1.3541327093730722
Energy: 1.3589184019637106
Energy: 1.3559166728121195
Energy: 1.3533309102042828
Energy: 1.3582002565628382
Energy: 1.4062839784440577
Energy: 1.3825593068825588
Energy: 1.4003038649950088
Energy: 1.3978417184851222
Energy: 1.3853274588876878
Energy: 1.3573937911910592
Energy: 1.3351843482088515
Energy: 1.3591710169754374
Energy: 1.3569159060219347
Energy: 1.3497637991880733
Energy: 1.329924711660337
Energy: 1.3553254933474175
Energy: 1.3473114013872267
Energy: 1.3595801883663228
Energy: 1.3580951968825599
Energy: 1.3544748657935486
Energy: 1.3532998768313746
Energy: 1.3576444287483271
Energy: 1.3994112636445966
Energy: 1.4105434813427085
Energy: 1.411326493336801
Energy: 1.357094350341764
Energy: 1.4174927676258904
Energy: 1.413030230390011
Energy: 1.4086241965445143
Energy: 1.3570806687882275
Energy: 1.3592595360065867
Energy: 1.40869982381686
Energy: 1.348239127040718
Energy: 1.4234094093377405
Energy: 1.4053700165905325
Energy: 1.357400059192
Energy: 1.3585146209034156
Energy: 1.3490789384898758
Energy: 1.3528682083783685
Energy: 1.3563128172549432
Energy: 1.3051941211254645
Energy: 1.3582489238159707
Energy: 1.460269822490986
Energy: 1.3116925782504132
Energy: 1.3499194338022933
Energy: 1.3311499895528445
Energy: 1.3058027896450966
Energy: 1.35848137440217
Energy: 1.3341339805763281
Energy: 1.3095250906005782
Energy: 1.398709234280421
Energy: 1.3308864862764356
Energy: 1.4061515370742794
Energy: 1.3580731947729285
Energy: 1.360512278373745
Energy: 1.3489467701817863
Energy: 1.3542281134417178
Energy: 1.3576999304214419
Energy: 1.3983691518955192
Energy: 1.4077409340914013
Energy: 1.4104184786396003
Energy: 1.3961390340246869
Energy: 1.408950035442136
Energy: 1.410516457866377
Energy: 1.3511442804844218
Energy: 1.3562790644900575
Energy: 1.3570569302614208
Energy: 1.3555017178623645
Energy: 1.352671989835623
Energy: 1.356835676791367
Energy: 1.5104924764713774
Energy: 1.4101787694814536
Energy: 1.4107728799091805
Energy: 1.3541845871000968
Energy: 1.414062070144432
Energy: 1.4131654746147062
Energy: 1.3497455566960628
Energy: 1.3041506386651427
Energy: 1.357508757212396
Energy: 1.3854865003565453
Energy: 1.3279671944052889
Energy: 1.3572342769865762
Energy: 1.4069070460960285
Energy: 1.3292570841784586
Energy: 1.3055092121237832
Energy: 1.397291646276654
Energy: 1.3525116945155429
Energy: 1.3571898171530874
Energy: 1.3044838439912085
Energy: 1.3530785890541832
Energy: 1.3549365842056074
Energy: 1.3262953984568429
Energy: 1.3549191305429522
Energy: 1.3574879013101084

minimum gb energy = 1.3041506386651427 eV
minimum distance =  2.28408745784082 Angstroms
sigma value = 9


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

Energy: 2.0830911644785237
Energy: 1.5495081641061845
Energy: 1.4374166034109288
Energy: 1.4330144806092326
Energy: 1.4677706605983691
Energy: 1.4344862077292686
Energy: 1.5940169939898898
Energy: 1.3841754403376585
Energy: 1.3994201455327322
Energy: 1.391236201307622
Energy: 1.39220256803428
Energy: 1.3983363807510354
Energy: 1.51359571662316
Energy: 1.4313333359470863
Energy: 1.3999382278140668
Energy: 1.404345431924023
Energy: 1.4345882309282747
Energy: 1.4001364279083144
Energy: 1.4452026809944032
Energy: 1.4033141811706245
Energy: 1.4144874150911988
Energy: 1.4164773629803802
Energy: 1.4033451788123246
Energy: 1.4131791474443651
Energy: 1.4186324862071307
Energy: 1.3883377230738987
Energy: 1.3845992932990563
Energy: 1.3833745907113562
Energy: 1.394674080704075
Energy: 1.383986308373558
Energy: 1.4293355133597385
Energy: 1.4026112121990524
Energy: 1.403053765966825
Energy: 1.3957471497010727
Energy: 1.399542492969821
Energy: 1.4026529134734382
Energy: 1.430772233272019
Energy: 1.4586411655593172
Energy: 1.4004415790496973
Energy: 1.3933346899561088
Energy: 1.461038635077067
Energy: 1.401389639581773
Energy: 1.472821308647966
Energy: 1.4072292576296725
Energy: 1.3955239656627731
Energy: 1.386554326795152
Energy: 1.4204423869641298
Energy: 1.3935920863187123
Energy: 1.5797978996716155
Energy: 1.3889083212962265
Energy: 1.3861144486478818
Energy: 1.4001859090935675
Energy: 1.394594839743508
Energy: 1.3981402321916525
Energy: 1.5805351295158756
Energy: 1.389875585865378
Energy: 1.387581514690943
Energy: 1.4022903804762599
Energy: 1.3939496558791789
Energy: 1.3872154442281275
Energy: 1.4733145953262334
Energy: 1.383781312298047
Energy: 1.3826645449354649
Energy: 1.3895653191602697
Energy: 1.3837214764737737
Energy: 1.3826164435489074
Energy: 1.471335401364537
Energy: 1.3989321454753847
Energy: 1.3973892097779235
Energy: 1.3895711664429071
Energy: 1.4024812621904248
Energy: 1.391486327146563
Energy: 1.5739626099267225
Energy: 1.3991964321639658
Energy: 1.3994110437240168
Energy: 1.3628052429647302
Energy: 1.3973944200692936
Energy: 1.3619884024962425
Energy: 1.6182926620643672
Energy: 1.4087482385250765
Energy: 1.4094591071363058
Energy: 1.4021653428381209
Energy: 1.4064968384770835
Energy: 1.4079270190485256
Energy: 1.4688235540231143
Energy: 1.3808806895397467
Energy: 1.3805573059592
Energy: 1.3898246286557079
Energy: 1.3802423758288385
Energy: 1.3878298100155744
Energy: 1.45242972895251
Energy: 1.395802470804452
Energy: 1.4558035605902746
Energy: 1.43219057063024
Energy: 1.4352196005515019
Energy: 1.4614995152485872
Energy: 1.5010869312652706
Energy: 1.4130628446939333
Energy: 1.4106792078693131
Energy: 1.405045708469696
Energy: 1.414101369802586
Energy: 1.4099896949177035
Energy: 1.4994434736829136
Energy: 1.4432590341287996
Energy: 1.439245102353141
Energy: 1.4382180061019016
Energy: 1.4489177648061609
Energy: 1.4378035465298729
Energy: 1.5114812426480397
Energy: 1.4048421132139588
Energy: 1.4026608205299789
Energy: 1.384049575702952
Energy: 1.4056974754099432
Energy: 1.4021550923971178
Energy: 1.5149671507624505
Energy: 1.4064249651000187
Energy: 1.4043595500557855
Energy: 1.4040833069987972
Energy: 1.3913020757407069
Energy: 1.4033691833019168
Energy: 1.5545795137931242
Energy: 1.3850835571850775
Energy: 1.385696337880973
Energy: 1.4149218861350195
Energy: 1.393652059014611
Energy: 1.3837120922028532

minimum gb energy = 1.3619884024962425 eV
minimum distance =  2.21683035907954 Angstroms
sigma value = 27


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

Energy: 1.8317452497777165
Energy: 1.4422551737795264
Energy: 1.3740991510785934
Energy: 1.3569810395010318
Energy: 1.7771403043188188
Energy: 1.347848747229715
Energy: 1.4420904019051797
Energy: 1.438323296290563
Energy: 1.4011479917545353
Energy: 1.4387134354966142
Energy: 1.439357432400706
Energy: 1.4027993110903174
Energy: 1.681740301799818
Energy: 1.5374231205911204
Energy: 1.3945053926835311
Energy: 1.3804313885999129
Energy: 1.3373109470809588
Energy: 1.4695117116587675
Energy: 1.6007391213676914
Energy: 1.3482513634800561
Energy: 1.3314370943679217
Energy: 1.4204379853108908
Energy: 1.3479462499966999
Energy: 1.4195877312508973
Energy: 1.3529644141863253
Energy: 1.380169753487545
Energy: 1.6399313767251071
Energy: 1.3452571254777737
Energy: 1.4127037444621489
Energy: 1.372260405985703
Energy: 1.5451650133730102
Energy: 1.451478507416221
Energy: 1.4116287930927471
Energy: 1.4077704114355396
Energy: 1.414137127218545
Energy: 1.4104839806020444
Energy: 1.6169030500234498
Energy: 1.4460578581290537
Energy: 1.4457346250927525
Energy: 1.394448116652055
Energy: 1.396849725249613
Energy: 1.4451044509374595
Energy: 1.5507536474935095
Energy: 1.3879685597204474
Energy: 1.419028509189531
Energy: 1.4877779340403545
Energy: 1.3504840919997754
Energy: 1.4648844003300232
Energy: 1.6796360826605636
Energy: 1.4458985306071364
Energy: 1.4383889729280448
Energy: 1.40662802870566
Energy: 1.450781818208277
Energy: 1.4317355616829859
Energy: 1.6718266726834778
Energy: 1.3889833282570025
Energy: 1.3988375687227577
Energy: 1.4075392273530913
Energy: 1.3906057158836251
Energy: 1.438331862993403
Energy: 1.6910472685854658
Energy: 1.5044393008411912
Energy: 1.4341241787570924
Energy: 1.478822823743098
Energy: 1.3428343267127951
Energy: 1.4204025675095
Energy: 1.5268406467582558
Energy: 1.3729585074217756
Energy: 1.3739391069096196
Energy: 1.3796408440573928
Energy: 1.3721816755660272
Energy: 1.3746726964299392
Energy: 1.50862769967848
Energy: 1.435733031386075
Energy: 1.4376769181989784
Energy: 1.4344964789387542
Energy: 1.4358231080907575
Energy: 1.4393572330094329
Energy: 1.5207969379225723
Energy: 1.4354047423633172
Energy: 1.4363033848457352
Energy: 1.4394579764633437
Energy: 1.4367465014421432
Energy: 1.4387883667419372
Energy: 1.5257532871182558
Energy: 1.3747019226991544
Energy: 1.3747935780217695
Energy: 1.3743964088839882
Energy: 1.3747981807691065
Energy: 1.373139485056842
Energy: 1.5269521257602796
Energy: 1.3859681342884156
Energy: 1.4446260189417375
Energy: 1.4189939176444302
Energy: 1.3719195634877455
Energy: 1.4466073131717783
Energy: 1.352525885357168
Energy: 1.3751645969585318
Energy: 1.376429551823176
Energy: 1.3441483175375628
Energy: 1.3742976520674919
Energy: 1.3772840627679168
Energy: 1.4509541426175572
Energy: 1.4125923345779137
Energy: 1.4097653934916186
Energy: 1.4068223516385763
Energy: 1.4121917018286874
Energy: 1.4100695113587443
Energy: 1.528713552487163
Energy: 1.4360228428547115
Energy: 1.4336846786752293
Energy: 1.4693028505666956
Energy: 1.4138468995097624
Energy: 1.4323086842149564
Energy: 1.612766706480383
Energy: 1.4139588779963599
Energy: 1.3892950359891143
Energy: 1.3942799251652875
Energy: 1.4124366148413698
Energy: 1.432828887862754
Energy: 1.763825160564486
Energy: 1.4097439309322297
Energy: 1.409945003027321
Energy: 1.4073677418996282
Energy: 1.412739592451581
Energy: 1.4084683300763976
Energy: 1.345459937517586
Energy: 1.3803002487759166
Energy: 1.4359425180638015
Energy: 1.336583425252867
Energy: 1.3816537331921626
Energy: 1.3854346335779022
Energy: 1.6802465359758039
Energy: 1.3497965631026163
Energy: 1.319538919948158
Energy: 1.3187371260121934
Energy: 1.3504054255898497
Energy: 1.4558506801943163
Energy: 1.6854494475465542
Energy: 1.3483000815753992
Energy: 1.3487258110620848
Energy: 1.3804263722183017
Energy: 1.3808689482435108
Energy: 1.4706614406366691
Energy: 1.5303518082141987
Energy: 1.4261421628551048
Energy: 1.3195145191237612
Energy: 1.3273297871453555
Energy: 1.3190007296752342
Energy: 1.3904378427547326

minimum gb energy = 1.3187371260121934 eV
minimum distance =  2.22731609088414 Angstroms
sigma value = 19


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

Energy: 2.009526313391594
Energy: 1.2748296261515983
Energy: 1.2719824747694823
Energy: 1.2990706996149386
Energy: 1.3562175368618274
Energy: 1.2782484625520565
Energy: 1.524790518780686
Energy: 1.2951745385425468
Energy: 1.296591958461615
Energy: 1.2932308356460953
Energy: 1.3114902830622361
Energy: 1.2960657423523603
Energy: 1.462751006274081
Energy: 1.296933022600301
Energy: 1.299750776272769
Energy: 1.294606905259933
Energy: 1.2957437105812715
Energy: 1.2971753338437089
Energy: 1.4154204876428929
Energy: 1.2957622980023848
Energy: 1.2971231769606317
Energy: 1.3330169818169169
Energy: 1.2951161256110497
Energy: 1.2982059157700303
Energy: 1.3044393910327994
Energy: 1.296293911081235
Energy: 1.2949735250937957
Energy: 1.302176225156107
Energy: 1.2950494235797312
Energy: 1.297628628179371
Energy: 1.3410149247212106
Energy: 1.2995635728147068
Energy: 1.296660952856749
Energy: 1.313834852437757
Energy: 1.299874217830376
Energy: 1.297701643151617
Energy: 1.3117324027480277
Energy: 1.283195672739673
Energy: 1.3208817403763646
Energy: 1.2974632901495438
Energy: 1.2827507958755366
Energy: 1.3191107560897655
Energy: 1.3393580758145296
Energy: 1.2882626271974111
Energy: 1.2958145502868725
Energy: 1.357614098001646
Energy: 1.2871995440570252
Energy: 1.2964902871823816
Energy: 1.288181549086835
Energy: 1.2972706261858244
Energy: 1.2965926785997104
Energy: 1.2934148864567507
Energy: 1.2979326706595908
Energy: 1.2956121981697606
Energy: 1.2892986366658494
Energy: 1.2932790517540327
Energy: 1.2971681795641463
Energy: 1.2941034735237498
Energy: 1.296357626068035
Energy: 1.298688678304553
Energy: 1.4793916281738777
Energy: 1.2765288510944182
Energy: 1.2793604487982009
Energy: 1.2848597055846078
Energy: 1.2743305392134203
Energy: 1.2752528591527055
Energy: 1.4904447777534433
Energy: 1.2747349215247594
Energy: 1.2757627694856284
Energy: 1.2763345621983997
Energy: 1.2732257463973817
Energy: 1.276620328305845
Energy: 1.3634981799093675
Energy: 1.2752591956296284
Energy: 1.324251938012787
Energy: 1.2627676177107303
Energy: 1.320423748884638
Energy: 1.2880189263069874
Energy: 1.445552376629236
Energy: 1.2937362014685352
Energy: 1.2935101850007742
Energy: 1.2666127281058308
Energy: 1.3445257664198198
Energy: 1.2962603842777132
Energy: 1.4602267360815018
Energy: 1.2736173626668148
Energy: 1.2743680920372074
Energy: 1.275778623987313
Energy: 1.2726878542287736
Energy: 1.2751644520311638
Energy: 1.4732575964433992
Energy: 1.275549002372383
Energy: 1.2764179417211339
Energy: 1.2759129628452515
Energy: 1.2787197205114489
Energy: 1.2768700219498919
Energy: 1.327797092209567
Energy: 1.2946184130776726
Energy: 1.3103596066571388
Energy: 1.2683385578882314
Energy: 1.3601532934194798
Energy: 1.3100440554431085
Energy: 1.405366401749626
Energy: 1.2747828501641072
Energy: 1.2752156568736415
Energy: 1.2649777088773202
Energy: 1.2748076097768575
Energy: 1.275963149936432
Energy: 1.4216719269080413
Energy: 1.2671877216663783
Energy: 1.2689273867365745
Energy: 1.312202782714207
Energy: 1.2663866160593427
Energy: 1.2748419812485199
Energy: 1.3801092941154918
Energy: 1.267155780517863
Energy: 1.2682661260310815
Energy: 1.2802042322142466
Energy: 1.2662431190765107
Energy: 1.274679397764073
Energy: 1.2813931828413136
Energy: 1.2750815551041632
Energy: 1.2753068081134562
Energy: 1.2743679456296024
Energy: 1.2749483991177168
Energy: 1.275558646354599
Energy: 1.2666317933601439
Energy: 1.277249363352455
Energy: 1.2768330104578416
Energy: 1.2725543487804245
Energy: 1.2768627262508694
Energy: 1.2756800845546918
Energy: 1.4043722685660738
Energy: 1.2651702580129407
Energy: 1.3675874815501563
Energy: 1.3586769456142807
Energy: 1.2619457816377233
Energy: 1.3298496949610437
Energy: 1.422048942982317
Energy: 1.2606367784930421
Energy: 1.2761857098118705
Energy: 1.3787308066955644
Energy: 1.2596475828740015
Energy: 1.2750435140019625
Energy: 1.3685527296974536
Energy: 1.2755560649064643
Energy: 1.275436465375818
Energy: 1.2721518050103546
Energy: 1.2754807342749532
Energy: 1.274848690983595
Energy: 1.3173817102620005
Energy: 1.2956186473896343
Energy: 1.2975582401061354
Energy: 1.2857409627176737
Energy: 1.2964123720101366
Energy: 1.2972516178851234
Energy: 1.4624571771483308
Energy: 1.2965007675714761
Energy: 1.2971502977507403
Energy: 1.2963110139269498
Energy: 1.2949719900359131
Energy: 1.296378254636694
Energy: 1.4628917059839224
Energy: 1.29508795868614
Energy: 1.2957832952934676
Energy: 1.2983369499696338
Energy: 1.2942174334166845
Energy: 1.2965585592142184
Energy: 1.3976841021358086
Energy: 1.3904050899948845
Energy: 1.2965532051687918
Energy: 1.2566998585892144
Energy: 1.396422248201022
Energy: 1.2699085266673062

minimum gb energy = 1.2566998585892144 eV
minimum distance =  2.20862223762884 Angstroms
sigma value = 101


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

Energy: 1.826158115783894
Energy: 1.237037909855085
Energy: 1.2370439605091286
Energy: 1.2824387273390128
Energy: 1.2271783356052697
Energy: 1.1964386428808311
Energy: 1.4440844304551106
Energy: 1.2318941582474578
Energy: 1.2299476782944292
Energy: 1.2292990978004261
Energy: 1.2287647660872065
Energy: 1.2312265229367239
Energy: 1.4554675814639502
Energy: 1.233253947771373
Energy: 1.2373208559854338
Energy: 1.2783155464109934
Energy: 1.2292417146341137
Energy: 1.2279720793264384
Energy: 1.3095477654820393
Energy: 1.2299627110759488
Energy: 1.2316340206899397
Energy: 1.230560575193201
Energy: 1.2287100469235568
Energy: 1.231854736017666
Energy: 1.2370075315257016
Energy: 1.2737430244022265
Energy: 1.2296840571411078
Energy: 1.2362402883481953
Energy: 1.2733499069744734
Energy: 1.2451142101007209
Energy: 1.2634820534936666
Energy: 1.2320136518761569
Energy: 1.2577507370071086
Energy: 1.238703091176603
Energy: 1.2355096398259067
Energy: 1.2307160637479186
Energy: 1.2652973795654614
Energy: 1.221738669386466
Energy: 1.2162942176292297
Energy: 1.2872604206658762
Energy: 1.2186101376248275
Energy: 1.21607501750448
Energy: 1.2186690957952244
Energy: 1.2326226005152074
Energy: 1.233434529833102
Energy: 1.2287242742956976
Energy: 1.2165433574446485
Energy: 1.2324777606455954
Energy: 1.2200494902278212
Energy: 1.2299724460467023
Energy: 1.229652231762026
Energy: 1.2300676382831117
Energy: 1.230359583686095
Energy: 1.2420826792674817
Energy: 1.2187842722725224
Energy: 1.2313136149221007
Energy: 1.2314842734303033
Energy: 1.2275865157373846
Energy: 1.2850650730528888
Energy: 1.2307590452544477
Energy: 1.4258052214085992
Energy: 1.207690419332724
Energy: 1.2124301196252427
Energy: 1.2729372270381951
Energy: 1.2041479405209115
Energy: 1.2026326981612947
Energy: 1.453057348581152
Energy: 1.226940096938063
Energy: 1.2278912728970597
Energy: 1.2294140204301889
Energy: 1.230712434077125
Energy: 1.2287911231820952
Energy: 1.2679877743510708
Energy: 1.2570116388344474
Energy: 1.2289618714699837
Energy: 1.215405087719805
Energy: 1.2804292302876406
Energy: 1.2287554740762727
Energy: 1.305845684175297
Energy: 1.230034310605101
Energy: 1.2278253448491128
Energy: 1.2152700438358983
Energy: 1.258506827185464
Energy: 1.2266963513949452
Energy: 1.4574643551761
Energy: 1.229443763708261
Energy: 1.235582178957349
Energy: 1.22876384222236
Energy: 1.22576951256179
Energy: 1.2294312183345517
Energy: 1.4564578829176125
Energy: 1.230866763813759
Energy: 1.2318098816654588
Energy: 1.2274532539594298
Energy: 1.2418000636478044
Energy: 1.2329637755319593
Energy: 1.292340143654765
Energy: 1.334998206206955
Energy: 1.2384024766367612
Energy: 1.191604267399055
Energy: 1.230430604725993
Energy: 1.1895059306560436
Energy: 1.4492465428252068
Energy: 1.2297655815811406
Energy: 1.2302517540307416
Energy: 1.2360575889014218
Energy: 1.2769203706010626
Energy: 1.237727448211361
Energy: 1.4928357870333469
Energy: 1.229259113770931
Energy: 1.2306792479260664
Energy: 1.2292435191267053
Energy: 1.2281699850539918
Energy: 1.2308068153263176
Energy: 1.4232423315755982
Energy: 1.230081244810171
Energy: 1.2315319824917255
Energy: 1.2303250907343166
Energy: 1.2284610354969427
Energy: 1.2323804606148256
Energy: 1.2406959088732143
Energy: 1.2294682283034521
Energy: 1.2295676580239423
Energy: 1.2404929505771207
Energy: 1.2776250360918653
Energy: 1.2362786242862354
Energy: 1.3088486904477168
Energy: 1.2358171482075306
Energy: 1.2348579759935507
Energy: 1.2403587874005444
Energy: 1.236379767156021
Energy: 1.2341148462996063
Energy: 1.4361642177877676
Energy: 1.2163564411020078
Energy: 1.217960628022449
Energy: 1.274535971052625
Energy: 1.2184953266780427
Energy: 1.2161560648728418
Energy: 1.261434250572552
Energy: 1.2171052899080403
Energy: 1.217405383609905
Energy: 1.3115735867351899
Energy: 1.2159559389882233
Energy: 1.2297704967137777
Energy: 1.231485719980891
Energy: 1.2316853228213525
Energy: 1.232048925502878
Energy: 1.2274488868434248
Energy: 1.231795438237859
Energy: 1.2313608991853549
Energy: 1.2209154525607264
Energy: 1.230043495366247
Energy: 1.2297425308445307
Energy: 1.229022713756533
Energy: 1.2292112057746933
Energy: 1.2286556168914256
Energy: 1.3154654675817383
Energy: 1.206568162518588
Energy: 1.2037109071901477
Energy: 1.2806230538789072
Energy: 1.206532908480017
Energy: 1.203982970120411
Energy: 1.453858787880729
Energy: 1.2019270429077822
Energy: 1.2041943213639714
Energy: 1.2269166423695683
Energy: 1.1998041629691651
Energy: 1.2264591249513515
Energy: 1.2677540399982952
Energy: 1.229259325780328
Energy: 1.2277656997033095
Energy: 1.2145453382292462
Energy: 1.2575856242507395
Energy: 1.2268603019557376
Energy: 1.2692918575265288
Energy: 1.2564436390522322
Energy: 1.2562080002175198
Energy: 1.2144529683493706
Energy: 1.2580472520781854
Energy: 1.2572899557322532
Energy: 1.4573542301408116
Energy: 1.2271785505195092
Energy: 1.2275792540942687
Energy: 1.2283484290244404
Energy: 1.226749402381466
Energy: 1.22793600501106
Energy: 1.4542835329924895
Energy: 1.2290609610471501
Energy: 1.2299812220425363
Energy: 1.2320555995906024
Energy: 1.228737229640118
Energy: 1.2308424848801711
Energy: 1.2942141298907162
Energy: 1.2746879562072553
Energy: 1.2553874785972543
Energy: 1.191908848329612
Energy: 1.2311804885716806
Energy: 1.236982578705466

minimum gb energy = 1.1895059306560436 eV
minimum distance =  2.20693199099657 Angstroms
sigma value = 33


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

Energy: 0.020352398125170732
Energy: 0.02148385284379058
Energy: 0.021179930225346626
Energy: 0.02294853723044171
Energy: 1.0587520592904889
Energy: 0.021030333815708003
Energy: 0.021765236735241
Energy: 0.16854939227334662
Energy: 0.16625433557093905
Energy: 0.16881276147886476
Energy: 0.1684555130236301
Energy: 0.16604712627479107
Energy: 1.617874148635739
Energy: 1.0614437096739415
Energy: 1.0593472974522873
Energy: 1.060385487904758
Energy: 1.0608423239910731
Energy: 1.0596392998681325
Energy: 0.7242030482636086
Energy: 0.16854939227381438
Energy: 0.16625433557093905
Energy: 0.1688127614798003
Energy: 0.16845551302274653
Energy: 0.16604712627520685

minimum gb energy = 0.020352398125170732 eV
minimum distance =  2.45548666005881 Angstroms
sigma value = 1