Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.548374074697496
cohesive_energy=4.048047252937728
mass=55.845
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=[2.8186612868971796e-19, 3.6026864227450795e-19, 4.1916305316371397e-19, 4.64570341147908e-19, 4.9507418208263395e-19, 5.13965446774128e-19, 5.285148127874819e-19, 5.428719176047559e-19, 5.579435932007939e-19, 5.72701242176568e-19, 5.854561703598419e-19, 5.953303849551839e-19, 6.0292310002371e-19, 6.09583348291248e-19, 6.15878300286234e-19, 6.21739062413406e-19, 6.270566866616519e-19, 6.318872492131619e-19, 6.363044501930999e-19, 6.4026983736225e-19, 6.43655236589892e-19, 6.462731932098479e-19, 6.47941059085842e-19, 6.485178426740819e-19, 6.478673589606779e-19, 6.457572923336999e-19, 6.42065877368964e-19, 6.369292990803599e-19, 6.30943567175736e-19, 6.25212581355918e-19, 6.20801789082516e-19, 6.16860434562876e-19, 6.07023070030116e-19, 5.724336786786899e-19, 4.67917288136334e-19, 1.95044176893258e-19, -4.497726377562839e-19, -1.87677368730126e-18, -4.9032693271609194e-18, -1.1149242782445539e-17, -2.38402280962566e-17, -4.9473772498949396e-17, -1.0136458866795119e-16, -2.0742099139090796e-16, -4.27872485346138e-16, -8.98309997327754e-16, -1.93937072839164e-15, -4.35726355206006e-15]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016203336234446593
Energy: 0.016435152473797777
Energy: 0.01655457846365922
Energy: 0.016409642860310023
Energy: 0.7763518139781111
Energy: 0.016424095312397146
Energy: 0.016435152474123273
Energy: 0.15683697419999718
Energy: 0.15691255734042214
Energy: 0.15710640557036532
Energy: 0.1570664260415499
Energy: 0.15708907184174625
Energy: 0.016554578463984716
Energy: 0.15691255734009663
Energy: 0.1568551149223637
Energy: 0.016381292027812806
Energy: 0.15680847783278015
Energy: 0.15702652655363875
Energy: 0.01640964286063552
Energy: 0.15710640557481376
Energy: 0.016381292027487313
Energy: 0.016343162155809488
Energy: 0.15680997131667862
Energy: 0.016496624629914334
Energy: 0.7763518139596663
Energy: 0.15706642604060958
Energy: 0.15680847783339497
Energy: 0.1568099713157383
Energy: 0.15684234070497488
Energy: 0.15683743359489333
Energy: 0.016424095312686474
Energy: 0.15708907184207174
Energy: 0.1570265265539642
Energy: 0.016496624631180148
Energy: 0.15683743359521882
Energy: 0.0167364391302791

minimum gb energy = 0.016203336234446593 eV
minimum distance =  2.50529998351943 Angstroms
sigma value = 1


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

Energy: 1.677006854424779
Energy: 1.1085687634176011
Energy: 1.1556455636223761
Energy: 1.0722168112854995
Energy: 1.1178303716931512
Energy: 1.1146410687483046
Energy: 1.5489553346517846
Energy: 1.0993821535417323
Energy: 1.0680820200644237
Energy: 1.0436081530345227
Energy: 1.0997495579900523
Energy: 1.0525759742245404
Energy: 1.567702013073313
Energy: 1.0903103015246611
Energy: 1.0940777107558883
Energy: 1.0514504887284915
Energy: 1.0960662044705667
Energy: 1.0462972691571715
Energy: 1.5643891192812045
Energy: 1.0881472711977347
Energy: 1.0734102684617164
Energy: 1.0544069176737907
Energy: 1.0891700724862565
Energy: 1.0772188790130317
Energy: 1.6161623328680164
Energy: 1.0705475012349663
Energy: 1.0497723288360958
Energy: 1.0498859456310996
Energy: 1.0778793117551937
Energy: 1.0517474065007348
Energy: 1.4616336496278794
Energy: 1.0768756922556126
Energy: 1.0693662646679045
Energy: 1.0548036555689628
Energy: 1.079237048613691
Energy: 1.0688922181653213
Energy: 1.4593716444787508
Energy: 1.0703381962791076
Energy: 1.0510771163074693
Energy: 1.0551363330644032
Energy: 1.078600471108876
Energy: 1.0695877569136731
Energy: 1.3927698992902426
Energy: 1.0501440836708416
Energy: 1.0498094655564194
Energy: 0.9963105045248013
Energy: 1.0507318102641896
Energy: 1.0488214244483522
Energy: 1.1769698541063582
Energy: 1.055389285171311
Energy: 1.0709847732118665
Energy: 1.1110731135271559
Energy: 1.0558702237512698
Energy: 1.0674667477979003
Energy: 1.2242984969245596
Energy: 1.0527469397536506
Energy: 1.0476914162075204
Energy: 1.078878476005853
Energy: 1.0491153694403672
Energy: 1.0497999643455806
Energy: 1.177321013919931
Energy: 1.034042400499115
Energy: 1.0339118900082458
Energy: 1.0818201848808426
Energy: 1.0349449579554109
Energy: 1.0996116765643287
Energy: 1.095314078204899
Energy: 1.053354607412052
Energy: 1.070271433471999
Energy: 1.091972159590574
Energy: 1.0489410228669034
Energy: 1.066892153469438
Energy: 1.0990544799803443
Energy: 1.0518554422831528
Energy: 1.0542457842725224
Energy: 1.0995770984178426
Energy: 1.044316774162663
Energy: 1.0536343109479205
Energy: 1.1452302064452882
Energy: 1.0430825962576682
Energy: 1.0421140123582533
Energy: 1.0933016302740957
Energy: 1.0440340364193292
Energy: 1.0550840523283036
Energy: 1.1348077733739477
Energy: 1.05180620070636
Energy: 1.0504589232939074
Energy: 1.0921211110424647
Energy: 1.048467708860701
Energy: 1.0501335262551055
Energy: 1.1172841537976812
Energy: 1.0719944274509927
Energy: 1.0887599320812018
Energy: 1.0980608479122747
Energy: 1.056090423993501
Energy: 1.0867461455347622
Energy: 1.3988330964221816
Energy: 1.0670963819862729
Energy: 1.0467813825843437
Energy: 1.091471394011284
Energy: 1.0640001375000252
Energy: 1.074662685630279
Energy: 1.3230907889535497
Energy: 1.0565819884340288
Energy: 1.0547299661956688
Energy: 1.084642078887797
Energy: 1.0555879633824474
Energy: 1.0653723996107922
Energy: 1.3379347290897874
Energy: 1.05675290183835
Energy: 1.055272444565118
Energy: 1.0551531876759006
Energy: 1.05532872028217
Energy: 1.0646350900236734
Energy: 1.5735841407057296
Energy: 1.0665006832955004
Energy: 1.054409757005877
Energy: 1.0672491362051713
Energy: 1.0672816289644107
Energy: 1.0534893866320771
Energy: 1.698942112078966
Energy: 1.0903553785700937
Energy: 1.0410375730293369
Energy: 1.0404020883539287
Energy: 1.09001525306947
Energy: 1.0434109215090568
Energy: 1.4994793667957584
Energy: 1.0985451658946392
Energy: 1.0928993094100607
Energy: 1.0609340355694858
Energy: 1.1007986017718276
Energy: 1.060001306744333
Energy: 1.5818145113966475
Energy: 1.092302742176653
Energy: 1.051060995592125
Energy: 1.0429396373514968
Energy: 1.0920833690360394
Energy: 1.053884048559335

minimum gb energy = 0.9963105045248013 eV
minimum distance =  2.33630701948669 Angstroms
sigma value = 33


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

Energy: 1.968372833122697
Energy: 1.1734360733206461
Energy: 1.1474172564039018
Energy: 1.1888259124431195
Energy: 1.1302316074016865
Energy: 1.1741477305656245
Energy: 1.5676926324768206
Energy: 1.1176872172839982
Energy: 1.1132697703151002
Energy: 1.08950508506242
Energy: 1.118893897155262
Energy: 1.1223717890358107
Energy: 1.499425275578526
Energy: 1.1210689716696784
Energy: 1.1132883496240082
Energy: 1.106217125001795
Energy: 1.119582427116283
Energy: 1.1073200863736292
Energy: 1.617465810334912
Energy: 1.172753831392719
Energy: 1.1370853913652532
Energy: 1.0959282103503725
Energy: 1.1333207848564542
Energy: 1.1103498895521748
Energy: 1.612770940649893
Energy: 1.1932690234382641
Energy: 1.111124609538558
Energy: 1.1070578269243543
Energy: 1.1131517011130283
Energy: 1.1690887464482744
Energy: 1.522789973867822
Energy: 1.105923224706935
Energy: 1.19119531778843
Energy: 1.1769906263850138
Energy: 1.188643099384984
Energy: 1.1053130619752698
Energy: 1.5198423984776153
Energy: 1.1698439704908576
Energy: 1.1938821950745122
Energy: 1.1779937014912416
Energy: 1.1883126378597566
Energy: 1.1743024686934396
Energy: 1.451949117696265
Energy: 1.1115397601433425
Energy: 1.1135077197219214
Energy: 1.1213057396516912
Energy: 1.111978151653193
Energy: 1.1119136926667899
Energy: 1.2485023898993899
Energy: 1.1199475397495127
Energy: 1.1768392127227147
Energy: 1.2113193437479377
Energy: 1.117987591723595
Energy: 1.1692166043207166
Energy: 1.2934610446483117
Energy: 1.1656938350113069
Energy: 1.1598777566485319
Energy: 1.184037755423252
Energy: 1.1619122546952927
Energy: 1.1661747736291157
Energy: 1.3019693638500731
Energy: 1.0952476185161268
Energy: 1.0902400523066502
Energy: 1.1994759937478532
Energy: 1.0853639860723783
Energy: 1.101596084334769
Energy: 1.1796649228972762
Energy: 1.0696803998573021
Energy: 1.1671036147304483
Energy: 1.1804440316029778
Energy: 1.071023690716318
Energy: 1.1627166203614725
Energy: 1.1777553271896757
Energy: 1.1693476196573511
Energy: 1.1688826654732623
Energy: 1.178787242296161
Energy: 1.1746848828838885
Energy: 1.1547109944410974
Energy: 1.2945757573848367
Energy: 1.1097276457599976
Energy: 1.110934447537247
Energy: 1.224482596570205
Energy: 1.1086366571329862
Energy: 1.1088754633552749
Energy: 1.2734892738715975
Energy: 1.178629508289615
Energy: 1.1722256664807298
Energy: 1.1789067075964887
Energy: 1.1762656054449385
Energy: 1.1893744408256912
Energy: 1.2656046389444198
Energy: 1.1704227077484046
Energy: 1.2050167412236867
Energy: 1.181031836820638
Energy: 1.169385427012742
Energy: 1.19049144753768
Energy: 1.4522274058760618
Energy: 1.1696118137559828
Energy: 1.168203244674639
Energy: 1.192146416715908
Energy: 1.1695863162237805
Energy: 1.1811615796506376
Energy: 1.3098409287060888
Energy: 1.1433328949700943
Energy: 1.1625958942812327
Energy: 1.1120250602021564
Energy: 1.133315038090616
Energy: 1.110569117030513
Energy: 1.3472314904995062
Energy: 1.1734650099959225
Energy: 1.1744587364829393
Energy: 1.1158046675121276
Energy: 1.173882246764943
Energy: 1.174693097568789
Energy: 1.5994469954434962
Energy: 1.166770938263421
Energy: 1.1644483610901202
Energy: 1.1625070084639453
Energy: 1.1784559191647392
Energy: 1.1584804936373678
Energy: 1.8823144794120197
Energy: 1.2041972522213253
Energy: 1.1015861575908852
Energy: 1.0747165325532313
Energy: 1.2057680445950656
Energy: 1.1026487577167023
Energy: 1.5659165662106556
Energy: 1.1814541598191237
Energy: 1.175017469648842
Energy: 1.071401584589365
Energy: 1.1816208405007995
Energy: 1.1789737809594023
Energy: 1.4930919744001623
Energy: 1.1712291933520111
Energy: 1.1702821601553632
Energy: 1.173545795203096
Energy: 1.1710502283283297
Energy: 1.1701316223138387
Energy: 1.6146133652022594
Energy: 1.1910907263750412
Energy: 1.2323215412195845
Energy: 1.1090891666050753
Energy: 1.1908644007006026
Energy: 1.080826999687309
Energy: 1.4954938972243452
Energy: 1.1891720569617612
Energy: 1.1506286037964346
Energy: 1.172884990380867
Energy: 1.1817335708185566
Energy: 1.1722125161113333
Energy: 1.5173284412098578
Energy: 1.1844872177881878
Energy: 1.195405427949677
Energy: 1.1658375721909788
Energy: 1.1839421118182165
Energy: 1.2044673266699266
Energy: 1.517717785414458
Energy: 1.1888624581524037
Energy: 1.191552897280733
Energy: 1.1720369929139425
Energy: 1.1942691772683023
Energy: 1.1822385041642534
Energy: 1.524212008941644
Energy: 1.117069259993166
Energy: 1.1118486987089613
Energy: 1.1744267482679691
Energy: 1.1149702925113008
Energy: 1.1631094386199359
Energy: 1.252029673564613
Energy: 1.1166381049757166
Energy: 1.1117389645320626
Energy: 1.1764280912777794
Energy: 1.1140400296069317
Energy: 1.1633440081764228
Energy: 1.2937324620733537
Energy: 1.1642898498521561
Energy: 1.158334890097588
Energy: 1.1782416189383862
Energy: 1.166431567997876
Energy: 1.1686095314584495
Energy: 1.2947801941081576
Energy: 1.074809273334284
Energy: 1.0968210601013242
Energy: 1.2157561357247042
Energy: 1.0743703182688806
Energy: 1.1007711388497419
Energy: 1.199706897665807
Energy: 1.0712671458501641
Energy: 1.0934320059445102
Energy: 1.197397123425061
Energy: 1.0703945453463206
Energy: 1.1686139617330933
Energy: 1.178410784287911
Energy: 1.172888954898153
Energy: 1.166672033481204
Energy: 1.183489300248519
Energy: 1.1660705078045803
Energy: 1.1714086412925293
Energy: 1.1940013346077645
Energy: 1.1085604029360137
Energy: 1.1043908013257084
Energy: 1.1978322515802926
Energy: 1.1116521430705248
Energy: 1.1029461590110758
Energy: 1.2727079746637793
Energy: 1.1797878901732675
Energy: 1.1800622656386524
Energy: 1.1725385498516374
Energy: 1.1693628030583119
Energy: 1.1866290108324455
Energy: 1.2441272638046317
Energy: 1.1101487964856778
Energy: 1.1951383323772804
Energy: 1.218953861355601
Energy: 1.1782295835463261
Energy: 1.1297517594062054
Energy: 1.4441196080881378
Energy: 1.1301281822129363
Energy: 1.1091631681832275
Energy: 1.10869891626517
Energy: 1.104001795397358
Energy: 1.1311185796415817
Energy: 1.3824427691966443
Energy: 1.1226379935897342
Energy: 1.1126312552445956
Energy: 1.116870260972017
Energy: 1.1247175549984934
Energy: 1.112880410512764
Energy: 1.3092673764255307
Energy: 1.1169130222749493
Energy: 1.1198102717799037
Energy: 1.1122135873925243
Energy: 1.117531549811085
Energy: 1.1110892965610215
Energy: 1.4744234826135145
Energy: 1.113445617349347
Energy: 1.1076517271059565
Energy: 1.0880889351210294
Energy: 1.1147920454651912
Energy: 1.0948385263888156
Energy: 1.5741301090208402
Energy: 1.1217547721489627
Energy: 1.079519207017166
Energy: 1.0772906836700928
Energy: 1.122461655191393
Energy: 1.1188919087370786

minimum gb energy = 1.0696803998573021 eV
minimum distance =  2.28254014313506 Angstroms
sigma value = 51


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

Energy: 1.7592532959416045
Energy: 1.140626638948951
Energy: 1.0828824961693808
Energy: 1.1246425825512532
Energy: 1.125933948122865
Energy: 1.1781949120079398
Energy: 1.4788378667743813
Energy: 1.1221457142212539
Energy: 1.1291923072161556
Energy: 1.0740597734082475
Energy: 1.131407311217501
Energy: 1.112618251512961
Energy: 1.510671807910002
Energy: 1.1287124284425112
Energy: 1.1293530647279386
Energy: 1.1220600945528996
Energy: 1.1269640705142978
Energy: 1.1352533798802276
Energy: 1.5823292341360347
Energy: 1.1610320505571186
Energy: 1.1530423864872608
Energy: 1.1355936029600204
Energy: 1.1610122844248452
Energy: 1.120604076805966
Energy: 1.404452798335396
Energy: 1.1486011566235845
Energy: 1.1296824752756942
Energy: 1.1172492739896331
Energy: 1.1239238154644176
Energy: 1.1265438874421725
Energy: 1.3423256080118895
Energy: 1.1447956371104395
Energy: 1.1413612583468358
Energy: 1.1233960201172553
Energy: 1.1239086413345258
Energy: 1.140484170383569
Energy: 1.3682677621844554
Energy: 1.1188794602106027
Energy: 1.1238505336712359
Energy: 1.1234290130081552
Energy: 1.1238767464936954
Energy: 1.128824709942199
Energy: 1.4206654608846743
Energy: 1.1275640550722228
Energy: 1.1282436456456695
Energy: 1.1520374006893022
Energy: 1.1274662070718826
Energy: 1.1064065595198889
Energy: 1.1264902510199906
Energy: 1.0877247859927104
Energy: 1.108790561588075
Energy: 1.1272347635420426
Energy: 1.1393922780628076
Energy: 1.133067035081571
Energy: 1.1319757793551486
Energy: 1.113815578931019
Energy: 1.1318082305382522
Energy: 1.1322188627391587
Energy: 1.1229113485833326
Energy: 1.1300856847691931
Energy: 1.1705796961703128
Energy: 1.1383229603587464
Energy: 1.1410165023019356
Energy: 1.1260600784334178
Energy: 1.1389409229314111
Energy: 1.1404426262277665
Energy: 1.2131450352732858
Energy: 1.1140674394586147
Energy: 1.1366215492126284
Energy: 1.1325333861083349
Energy: 1.1446052727878773
Energy: 1.1325912121996768
Energy: 1.1608442134433858
Energy: 1.1468003173489267
Energy: 1.1063972970094538
Energy: 1.1433652856190104
Energy: 1.1400846597576793
Energy: 1.150224590988068
Energy: 1.2148632550372302
Energy: 1.1466435138420508
Energy: 1.145462138053907
Energy: 1.1335589298417421
Energy: 1.1572133243374345
Energy: 1.1308301566483925
Energy: 1.4787041232165579
Energy: 1.1427716230952485
Energy: 1.1402989192650705
Energy: 1.1203947037223256
Energy: 1.145408522511519
Energy: 1.1406801913146878
Energy: 1.4009618433013813
Energy: 1.1289721799044328
Energy: 1.129739542653628
Energy: 1.1461140173036206
Energy: 1.132816847577126
Energy: 1.1297743743970192
Energy: 1.405443122261785
Energy: 1.1303254942408527
Energy: 1.134779176332598
Energy: 1.1169716134251808
Energy: 1.1347510341741445
Energy: 1.1359196354203853
Energy: 1.1948103004059292
Energy: 1.1724118133425323
Energy: 1.1864990518291858
Energy: 1.0812043225847507
Energy: 1.1925870620459424
Energy: 1.185768403784579

minimum gb energy = 1.0740597734082475 eV
minimum distance =  2.27135318935369 Angstroms
sigma value = 19


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

Energy: 1.4787270328790172
Energy: 1.073676760389874
Energy: 1.0739434688720781
Energy: 1.2352953376614997
Energy: 1.04866945954142
Energy: 1.073378523834862
Energy: 1.2695232951972237
Energy: 1.0477544019297484
Energy: 1.0485760548779914
Energy: 1.0893667275711556
Energy: 1.0475519634247894
Energy: 1.0479801562958793
Energy: 1.2119075978810643
Energy: 1.0501026950353634
Energy: 1.04790437320298
Energy: 1.02496985237482
Energy: 1.0501212564836389
Energy: 1.0485784559002738
Energy: 1.2336251169890637
Energy: 1.0481045318215911
Energy: 1.0474461251828413
Energy: 1.0762676492567536
Energy: 1.049539741944343
Energy: 1.0491281348586872
Energy: 1.2114011863684302
Energy: 1.0474314674683927
Energy: 1.0486557846963083
Energy: 1.0244209283380767
Energy: 1.0488796625022012
Energy: 1.088027610496961
Energy: 1.2621891475613347
Energy: 1.0070561332662773
Energy: 1.0855212613648497
Energy: 1.0906324876746938
Energy: 1.007178097903727
Energy: 1.0856170197838009
Energy: 1.2956113134615266
Energy: 1.0239029749542266
Energy: 1.0886312308254977
Energy: 1.0896176000469093
Energy: 1.024180156817474
Energy: 1.0873361816137834
Energy: 1.255764337026704
Energy: 1.0085046895590006
Energy: 1.0061760754175164
Energy: 1.118520745680906
Energy: 1.008449259171582
Energy: 1.0069253844636836
Energy: 1.048971566520954
Energy: 1.0074720076276436
Energy: 1.0066770282773736
Energy: 1.0487202738443706
Energy: 1.0065529391649162
Energy: 1.007954739966185
Energy: 1.0467458132088447
Energy: 1.0876721479432
Energy: 1.0483611900126428
Energy: 1.0473081248350116
Energy: 1.0254165673507893
Energy: 1.0484799656962347
Energy: 1.0473014671505225
Energy: 1.1293180787319714
Energy: 1.1248795278848918
Energy: 1.0474040185102482
Energy: 1.1305457054564767
Energy: 1.0486400451176627
Energy: 1.2141837253312833
Energy: 1.0877394722559597
Energy: 1.0880501549792703
Energy: 1.0484542276218554
Energy: 1.024368779038164
Energy: 1.048773426756394
Energy: 1.005402875854337
Energy: 1.0884731912047994
Energy: 1.087180415635339
Energy: 1.0069081595508498
Energy: 1.0896628627326395
Energy: 1.088219278482644
Energy: 1.2144503385593373
Energy: 1.0881704076731973
Energy: 1.0876729363462028
Energy: 1.04898337199762
Energy: 1.0882528516102872
Energy: 1.0869385317293176
Energy: 1.0074351808444515
Energy: 1.047665877831718
Energy: 1.0479731390666853
Energy: 1.0063057820256303
Energy: 1.0500994387753684
Energy: 1.0082645220663613
Energy: 1.4759081518812274
Energy: 1.118863785081754
Energy: 1.0069241908434325
Energy: 1.0063998575860036
Energy: 1.1246542853471493
Energy: 1.0070210314204397
Energy: 1.2145365906228054
Energy: 1.0469612472261416
Energy: 1.0483049394514512
Energy: 1.0247386801704408
Energy: 1.0470907082698016
Energy: 1.0492607708068753
Energy: 1.2332148943950574
Energy: 1.0510912458590373
Energy: 1.0475995713677386
Energy: 1.0753773376912161
Energy: 1.2469721148440045
Energy: 1.047917826709371
Energy: 1.233797169279734
Energy: 1.0503089125640204
Energy: 1.048764452597197
Energy: 1.0761629515601052
Energy: 1.050105454567677
Energy: 1.0492892602361021
Energy: 1.213962222205514
Energy: 1.0068956424710662
Energy: 1.0871234771494152
Energy: 1.024514369967608
Energy: 1.00691632726176
Energy: 1.0865299988385355
Energy: 1.2520236860323202
Energy: 1.0481572532139916
Energy: 1.0876702167015158
Energy: 1.089368517993862
Energy: 1.0476424464241982
Energy: 1.0874086049556595
Energy: 1.2101778026400853
Energy: 1.0901888031844398
Energy: 1.0906334213303959
Energy: 1.048095389497822
Energy: 1.024800718384646
Energy: 1.088141272804573
Energy: 1.2554039707568816
Energy: 1.0063377678023075
Energy: 1.006312719789911
Energy: 1.2507350325612088
Energy: 1.006248721716217
Energy: 1.007088631239676
Energy: 1.0499617359618894
Energy: 1.0469487744658972
Energy: 1.04743026327136
Energy: 1.0480507105674566
Energy: 1.0654049014225915
Energy: 1.0487320705093024
Energy: 1.0500700577423225
Energy: 1.0869795211162432
Energy: 1.0482044301007276
Energy: 1.0499990570513975
Energy: 1.024922310128451
Energy: 1.0486025700708526
Energy: 1.025314924462921
Energy: 1.0771040334102635
Energy: 1.0762182693729243
Energy: 1.025681130069729
Energy: 1.1243776914242036
Energy: 1.0479367625230922
Energy: 1.2103359376967893
Energy: 1.0891098104611974
Energy: 1.088143499113305
Energy: 1.049144575823037
Energy: 1.0247570300015378
Energy: 1.0886102263857445
Energy: 1.0066562152979337
Energy: 1.0887265137946398
Energy: 1.0872010522268032
Energy: 1.0068443020769424
Energy: 1.091725029547245
Energy: 1.0863039971502815
Energy: 1.2111347686493463
Energy: 1.0906210899113378
Energy: 1.0871379129839471
Energy: 1.025104533598843
Energy: 1.0891572011422297
Energy: 1.086838750553412
Energy: 1.4766074782167906
Energy: 1.119627882929393
Energy: 1.0072539051953822
Energy: 1.0060894471941835
Energy: 1.1194015129067496
Energy: 1.0083255767995953

minimum gb energy = 1.005402875854337 eV
minimum distance =  2.34885871693982 Angstroms
sigma value = 27


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

Energy: 1.2496613380627208
Energy: 1.1304950803699159
Energy: 1.1326032854355952
Energy: 1.1184548556900158
Energy: 1.0796231613898788
Energy: 1.1319786126148894
Energy: 1.1283815726583586
Energy: 1.0831331218205484
Energy: 1.0262838758986697
Energy: 1.046314151954086
Energy: 1.088786392651194
Energy: 1.044314873914702
Energy: 1.277539783572109
Energy: 1.079220877381385
Energy: 1.0266609087876992
Energy: 1.078742784667314
Energy: 1.0917589863882222
Energy: 1.0276111440025575
Energy: 1.4929740883100935
Energy: 1.1281058079188422
Energy: 1.127572785461827
Energy: 1.0781272875939887
Energy: 1.1276387690215322
Energy: 1.126704926935435
Energy: 1.2991942260577747
Energy: 0.9811765153892725
Energy: 1.032244863303478
Energy: 1.1267625088126072
Energy: 0.9804072801535806
Energy: 1.027333835464996
Energy: 1.1376244265788562
Energy: 0.9801707552628801
Energy: 0.9829531737262494
Energy: 1.1262776223827113
Energy: 0.9844433378342048
Energy: 0.9849147870421205
Energy: 1.112311796882064
Energy: 1.0487752489378799
Energy: 1.040468614342963
Energy: 1.1110911598236421
Energy: 1.0481136613653397
Energy: 1.0287704678684868
Energy: 1.1631177637160912
Energy: 1.0208863034691231
Energy: 1.0203936114805339
Energy: 1.179388006749831
Energy: 1.0506603914146626
Energy: 1.0206988490025726
Energy: 1.3253832274150716
Energy: 1.0452971454348396
Energy: 1.0368743465006465
Energy: 1.1644763286181636
Energy: 1.0522812875526706
Energy: 1.0335919835772547
Energy: 1.1440583281723748
Energy: 1.053379304569698
Energy: 1.0459237216194295
Energy: 1.0665332829738712
Energy: 1.0770083171964107
Energy: 1.0622746784897341
Energy: 1.1431352470598561
Energy: 1.0686867099517634
Energy: 1.0509724763861685
Energy: 1.077099522517198
Energy: 1.0737851270105407
Energy: 1.061100131138742
Energy: 1.1435255255921681
Energy: 1.0268598575145287
Energy: 1.0262371260419139
Energy: 1.0562787771748643
Energy: 1.08952155457604
Energy: 1.0610789020482356

minimum gb energy = 0.9801707552628801 eV
minimum distance =  2.33707955180221 Angstroms
sigma value = 9


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

Energy: 1.2119395979724483
Energy: 1.047775877371144
Energy: 0.8743169222211647
Energy: 0.9617917796998283
Energy: 0.9438259662830852
Energy: 0.9358464581113193
Energy: 0.9615315377424379
Energy: 0.9394979140297194
Energy: 0.9315848686790156
Energy: 0.9413857344494762
Energy: 0.93969374707679
Energy: 0.9409646015256234
Energy: 0.9652025537691775
Energy: 0.950114490332923
Energy: 0.9498296563470392
Energy: 0.9699973626819316
Energy: 0.9500089892925341
Energy: 0.8852744732578207
Energy: 0.9653162661777249
Energy: 0.9762176319870426
Energy: 0.9289577841562487
Energy: 0.9293733225676579
Energy: 1.016202885840119
Energy: 0.9300528518504897
Energy: 1.2863162003751132
Energy: 0.932701156105015
Energy: 0.8943592665360061
Energy: 1.001431103736356
Energy: 0.9299786485352498
Energy: 0.8935821012792591
Energy: 1.0928545608070437
Energy: 0.9750362673917629
Energy: 0.9559699632894895
Energy: 1.091336786558784
Energy: 0.962880042268938
Energy: 0.9804394243089292
Energy: 0.9912437840346403
Energy: 0.8930272328470044
Energy: 0.892593061081529
Energy: 0.9926343013974055
Energy: 0.9297017235845383
Energy: 0.8927703355291777
Energy: 1.1123974387557374
Energy: 0.8799038117474407
Energy: 1.0408180866439518
Energy: 1.112921718218051
Energy: 0.9956189074372567
Energy: 1.0241493132446475
Energy: 1.292496130798852
Energy: 0.9778368284359985
Energy: 0.9448243575342214
Energy: 1.002843119336275
Energy: 0.979671499339287
Energy: 0.9605776919621445
Energy: 0.8889327244792632
Energy: 0.9773143869409496
Energy: 0.9752031631969311
Energy: 1.1724114316027554
Energy: 1.1139202749868335
Energy: 0.9982904058767242
Energy: 0.8893855731116177
Energy: 1.0218565665511643
Energy: 1.0204642531361234
Energy: 1.0202339857293625
Energy: 1.0218431954493432
Energy: 0.8929648931088002
Energy: 1.113954566638428
Energy: 1.0003032642161407
Energy: 0.8915517563440777
Energy: 0.9175752196872892
Energy: 1.0012900830736429
Energy: 0.8932492165146679
Energy: 1.3909176764804438
Energy: 0.9616096680049127
Energy: 0.9583526003026073
Energy: 0.979816896964364
Energy: 0.9663907157928722
Energy: 0.9527374964107201
Energy: 0.9564256653877016
Energy: 1.0011957923625319
Energy: 0.8945174585346626
Energy: 0.9171162300789304
Energy: 0.9924375293414822
Energy: 0.8924085764402359
Energy: 0.9574165958971887
Energy: 0.9567058036754611
Energy: 0.962696076613959
Energy: 0.9516419631636713
Energy: 0.9514179812242002
Energy: 0.9319825681801929
Energy: 0.9488376265427048
Energy: 0.9727606493971206
Energy: 0.946959788806012
Energy: 0.9400423271858908
Energy: 0.9737469473398371
Energy: 0.9325714072483537
Energy: 0.9463876709840131
Energy: 0.9058179880463672
Energy: 0.8917753956422109
Energy: 0.9383325838855232
Energy: 0.9058182882080319
Energy: 0.9518446059422145
Energy: 1.0453425449853802
Energy: 0.973524112523882
Energy: 0.9185557329080731
Energy: 0.9402841881702672
Energy: 0.9511601783181468
Energy: 0.982996353644396
Energy: 0.9614841010024214
Energy: 0.9484981215650584
Energy: 0.9465815585205268
Energy: 0.9237333449025856
Energy: 0.9484228002355944
Energy: 0.9460761703825717
Energy: 0.9627079960521244
Energy: 0.9320300754178233
Energy: 0.9653878644497009
Energy: 0.9221046508501697
Energy: 0.9236525192105949
Energy: 0.9642898442210914
Energy: 0.9633975672134865
Energy: 0.9375962161248743
Energy: 0.9373901107245454
Energy: 0.9849076484647528
Energy: 0.9225646188251018
Energy: 0.9661286370921648
Energy: 0.9904389452332574
Energy: 0.968134916780334
Energy: 1.0421340673686308
Energy: 0.9369611844991624
Energy: 0.9392864814768579
Energy: 0.9529070675323487
Energy: 0.996204533399263
Energy: 0.9406259112888156
Energy: 0.9426254473984516
Energy: 0.9226839180969346
Energy: 0.93675285243268
Energy: 0.8851610744443601
Energy: 0.9652754897542808
Energy: 0.9233247349741595
Energy: 0.9492615091034284
Energy: 0.9615696436696032
Energy: 0.9237005128526423
Energy: 0.9560590936571864
Energy: 1.2953469612365562
Energy: 0.9260994444191771
Energy: 0.9960432873245374
Energy: 1.0035116689301484
Energy: 0.9243410687184828
Energy: 0.9655677761136082
Energy: 1.2821607246911362
Energy: 0.8911229007567609
Energy: 0.8925806881591172
Energy: 0.9920470499646448
Energy: 0.9166311361011735
Energy: 0.8938581897250225
Energy: 0.9583118497943028
Energy: 0.9740322120259778
Energy: 0.9766135436472951
Energy: 0.9702552228210264
Energy: 0.9771999743972175
Energy: 1.0042430308471597
Energy: 1.0036742726758505
Energy: 0.8918170043802918
Energy: 0.8928869887906292
Energy: 1.0037149947132795
Energy: 0.9174657731049525
Energy: 0.8942920843743747
Energy: 1.020771275829494
Energy: 0.9219847603044358
Energy: 0.9376665021740564
Energy: 1.0217330944075254
Energy: 0.9818883537501696
Energy: 1.0208793749619587
Energy: 0.9387344199731875
Energy: 0.9906129797681896
Energy: 0.9397241144605911
Energy: 1.0706380061949048
Energy: 0.9909621944981823
Energy: 0.9400836277306508
Energy: 0.8895436429936923
Energy: 0.975545604975707
Energy: 0.9608854936855293
Energy: 1.0132931098007805
Energy: 1.0063014139973485
Energy: 0.9373632137708034
Energy: 1.4847711086214335
Energy: 1.0276616375882972
Energy: 1.026034583649366
Energy: 0.9800800565468545
Energy: 1.026952225530628
Energy: 1.0201830085487538
Energy: 1.11473639465002
Energy: 0.9934465302657731
Energy: 0.8932672880916054
Energy: 0.975226095133818
Energy: 0.9923935591714015
Energy: 0.8929453672991733
Energy: 1.2848491249743654
Energy: 1.0295914392260448
Energy: 1.0271726026964327
Energy: 1.0709322604912668
Energy: 1.0939362570880922
Energy: 0.9509893402030459
Energy: 0.9464050033149578
Energy: 1.0008999506637333
Energy: 0.8928479669755714
Energy: 0.9655440806518887
Energy: 1.001485368448189
Energy: 0.8936455249642516
Energy: 0.9546439545385683
Energy: 0.9691445502089967
Energy: 0.9304991530494385
Energy: 0.9468616445109694
Energy: 0.9653880671537076
Energy: 0.9292298783873012
Energy: 0.9568370548266739
Energy: 0.8850495363879787
Energy: 0.8852275178502602
Energy: 0.9511390078242569
Energy: 0.9979181977365582
Energy: 0.950344728725125
Energy: 0.9470182336832901
Energy: 0.9199970772360261
Energy: 0.9202644147308978
Energy: 0.9387471717469908
Energy: 0.9328847024058021
Energy: 0.9451230629991181
Energy: 0.9444217748871127
Energy: 0.9286473674209267
Energy: 0.9408841355951443
Energy: 0.9445906501083984
Energy: 0.9953706965323362
Energy: 0.9470107079127811
Energy: 1.0896448538552406
Energy: 0.9186323898477102
Energy: 0.920256062000994
Energy: 0.9382812477953147
Energy: 0.9315769753096731
Energy: 0.9451002123782842
Energy: 0.9583726896297086
Energy: 0.9568044420213961
Energy: 0.9602013620391385
Energy: 0.9166307102009787
Energy: 0.9307140806070116
Energy: 0.9258841913301689
Energy: 0.9619787757431628
Energy: 0.9310323792391079
Energy: 0.9321850494377185
Energy: 0.9216729506409381
Energy: 0.922555202687306
Energy: 0.9653216303236635
Energy: 0.9938247696420367
Energy: 0.9397985440478698
Energy: 0.9392159086809232
Energy: 0.9222104954001339
Energy: 0.9390811915311648
Energy: 0.8854756731446042

minimum gb energy = 0.8743169222211647 eV
minimum distance =  2.32017639963346 Angstroms
sigma value = 57


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

Energy: 1.0701321541647695
Energy: 0.9342044886481475
Energy: 0.5495397613934719
Energy: 0.4843533030376131
Energy: 0.7038265894037286
Energy: 0.9318838171069941
Energy: 0.701583000022999
Energy: 0.7337484678223615
Energy: 0.7346091126690234
Energy: 0.7128561482037372
Energy: 0.6951790010035842
Energy: 0.7419976030364239
Energy: 0.99129768073122
Energy: 0.9218088440284163
Energy: 0.7519812383320691
Energy: 0.7409873300676497
Energy: 0.6942932353568669
Energy: 0.941630634252591
Energy: 0.9922829731950765
Energy: 0.703011653771533
Energy: 0.7420185877258039
Energy: 1.0094218390543939
Energy: 0.9630214137114034
Energy: 0.9418492669557963
Energy: 0.9168122736618476
Energy: 0.684737141258216
Energy: 0.690068347092471
Energy: 0.9186059281224621
Energy: 0.6556142121564502
Energy: 0.9733906432932079
Energy: 0.9738232759751178
Energy: 0.6972274025023165
Energy: 0.6967095918424578
Energy: 0.9179240153457305
Energy: 0.6723801468233006
Energy: 0.7061242116313134
Energy: 0.9576050966977737
Energy: 0.9737289261143601
Energy: 0.7461125513820812
Energy: 0.9064871585293076
Energy: 1.0330603777460163
Energy: 0.9578743807714868
Energy: 1.310549660268288
Energy: 0.9897460024082821
Energy: 1.0277579353403565
Energy: 1.3760463999152273
Energy: 0.94973668542124
Energy: 0.9195996046077387
Energy: 1.0351250927327404
Energy: 0.9815634678320962
Energy: 0.9896574854696438
Energy: 0.9437421473904495
Energy: 0.9800455856827496
Energy: 1.0270758434690879
Energy: 0.872870231608915
Energy: 1.0103115748799156
Energy: 0.5487900066759774
Energy: 0.4833380801780069
Energy: 0.9927237230233507
Energy: 0.8022210934743984
Energy: 0.8729341472740653
Energy: 0.9786506425298256
Energy: 1.0323988344193287
Energy: 0.48282812150355914
Energy: 0.9519527281327266
Energy: 0.8065250757993774
Energy: 1.0345283579455162
Energy: 0.9884433788008474
Energy: 0.9857379149616359
Energy: 0.9884403779902656
Energy: 0.9420246372502175
Energy: 1.0109187365738117
Energy: 1.3002866366287296
Energy: 1.0338949040770664
Energy: 1.0391828620167083
Energy: 1.158772095757395
Energy: 1.0365749373106572
Energy: 0.8720491838668202
Energy: 0.9625847223009222
Energy: 0.7254282394825241
Energy: 0.7427959270790969
Energy: 0.9433417667554044
Energy: 0.6946708792658691
Energy: 0.9441468575914305
Energy: 0.9885498574700795
Energy: 0.7038920935723154
Energy: 0.6778435862320371
Energy: 0.8007368775195258
Energy: 0.6836488787469452
Energy: 0.6860604873262144
Energy: 0.9690051478773779
Energy: 0.7584496498081598
Energy: 0.7237554463880665
Energy: 0.9064432854813661
Energy: 0.6946456463959669
Energy: 0.9676167977841044
Energy: 0.9689088207386457
Energy: 0.7507309161163139
Energy: 1.026148659905752
Energy: 0.9716431934753897
Energy: 0.9439820439987305
Energy: 0.7419445488621778
Energy: 0.9919514416229781
Energy: 0.9774192716226173
Energy: 0.7437274376185895
Energy: 0.7057070022602485
Energy: 0.7368419361716446
Energy: 0.7425154242126406
Energy: 0.8892208351951059
Energy: 0.7354258756146296
Energy: 0.7479003896465765
Energy: 0.48161312609635787
Energy: 0.7425989110977789
Energy: 0.7449880965338506

minimum gb energy = 0.48161312609635787 eV
minimum distance =  2.29688062998678 Angstroms
sigma value = 11


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

Energy: 1.794083710414914
Energy: 0.803319682160637
Energy: 0.9391383518925196
Energy: 0.9183774587552584
Energy: 1.2090254558426656
Energy: 0.9033659701430478
Energy: 0.7708149728356206
Energy: 0.8258090891634332
Energy: 0.8372325174824431
Energy: 0.7568117679456603
Energy: 0.7656717331060325
Energy: 0.8363742484924669
Energy: 0.7627427995749925
Energy: 0.803412484510761
Energy: 0.8227927020988418
Energy: 0.7651242410310699
Energy: 0.7688204735049444
Energy: 0.8359887667040728
Energy: 0.7642896131031822
Energy: 0.8303895531771892
Energy: 0.8391385064638858
Energy: 0.7667295421300566
Energy: 0.7657198622663028
Energy: 0.8355156970215686
Energy: 0.7690758197335757
Energy: 0.8952227247687704
Energy: 0.8936542389023044
Energy: 0.7690913559599403
Energy: 0.894233524153117
Energy: 0.8684126981450401
Energy: 0.9336003563878051
Energy: 0.8510373433947456
Energy: 1.033413326477189
Energy: 0.7705580934386077
Energy: 0.8781210019995849
Energy: 0.8955266603973694
Energy: 1.0468005488502679
Energy: 0.8935101597985879
Energy: 0.8407766431467604
Energy: 0.7692693210187546
Energy: 0.8881172071068822
Energy: 0.8412482167771302
Energy: 0.7752470145060105
Energy: 0.8746652076787382
Energy: 0.8846529380536817
Energy: 0.7765523521345435
Energy: 0.873281905148233
Energy: 0.9438876343979244
Energy: 1.0471056910204546
Energy: 0.8920650780104616
Energy: 0.8691458298413934
Energy: 0.7659529092300068
Energy: 0.9017182555039359
Energy: 0.8731952845942738
Energy: 1.3036849474179268
Energy: 0.9977858099364662
Energy: 0.897448005558831
Energy: 0.7489130280808484
Energy: 0.8928872776256872
Energy: 1.0335776270078116
Energy: 1.346159482261779
Energy: 0.867946095322741
Energy: 0.8979903968740957
Energy: 0.8419694578276111
Energy: 0.9676523135267053
Energy: 0.8958397248823856
Energy: 1.2106351679049745
Energy: 0.8022829028855554
Energy: 0.9478363229338974
Energy: 1.0914249165962302
Energy: 0.7573123062237412
Energy: 0.9400526848658745
Energy: 1.0798262992202838
Energy: 0.9850816339148021
Energy: 0.9856105692370967
Energy: 1.0730834078534028
Energy: 0.7551723509971738
Energy: 1.0652346873770724
Energy: 1.057130409554793
Energy: 0.8994873967970775
Energy: 0.8971802277785272
Energy: 1.0392044936605704
Energy: 0.8981288096934826
Energy: 0.8952151368250418
Energy: 1.1158101295787783
Energy: 0.9668577908922992
Energy: 0.8663095908792684
Energy: 1.1182916526554276
Energy: 1.0088150304463193
Energy: 1.1157391945379531
Energy: 1.3288574579312549
Energy: 0.902591795325395
Energy: 0.897556146983315
Energy: 1.0026691597795354
Energy: 0.9023426517221678
Energy: 0.8964538804218933
Energy: 1.2496146921255769
Energy: 1.2471465817144851
Energy: 1.1420391703729242
Energy: 0.7475987702026262
Energy: 0.9236405267806309
Energy: 1.1422294582626482
Energy: 1.3435750378375597
Energy: 0.8974593688829757
Energy: 0.9002402641722261
Energy: 0.8791795324612198
Energy: 0.9588216041369073
Energy: 0.90057176119785
Energy: 1.3281509944525707
Energy: 0.9405668564191181
Energy: 0.9000641143192984
Energy: 0.846905332379019
Energy: 1.0544325713230382
Energy: 0.8739603568633391
Energy: 1.0107517984443688
Energy: 1.105384329664586
Energy: 1.0661498232255042
Energy: 0.759461470961965
Energy: 1.1184585300472876
Energy: 1.0651321060153691
Energy: 1.3265041735495307
Energy: 0.8959614361209564
Energy: 0.8978461941794482
Energy: 0.8424250844333652
Energy: 0.894062349124129
Energy: 0.904513853539669
Energy: 0.909425633770989
Energy: 1.1393898075900437
Energy: 1.1428949340014436
Energy: 0.8655714647264321
Energy: 1.1503750531972954
Energy: 0.7651744699610409
Energy: 0.9046874430250905
Energy: 0.871465825696907
Energy: 0.8683378182214428
Energy: 0.8040874639522758
Energy: 0.8498736252459553
Energy: 0.8673519247270379
Energy: 0.872384120054114
Energy: 0.9221170798981918
Energy: 0.9312704349223718
Energy: 0.8738428132847079
Energy: 0.7689030931666901
Energy: 0.9318880720443589
Energy: 0.9379500620272915
Energy: 0.8212572732661183
Energy: 0.8385227296681651
Energy: 0.9371402586209051
Energy: 0.7690703624861003
Energy: 0.9400306683271262
Energy: 1.2907045565424455
Energy: 0.8044665630632327
Energy: 0.8718905512381055
Energy: 0.9184235506828782
Energy: 0.7636783440344875
Energy: 0.8931225323098336

minimum gb energy = 0.7475987702026262 eV
minimum distance =  2.34548104348321 Angstroms
sigma value = 41


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

Energy: 1.7027732687240795
Energy: 1.3141585647063967
Energy: 1.3158352350308267
Energy: 1.6763774445548332
Energy: 1.2446084213925541
Energy: 1.168763788918294
Energy: 0.8284896639103805
Energy: 0.8944864141334983
Energy: 0.8852084226183715
Energy: 0.818212654817129
Energy: 0.8232807348161498
Energy: 0.8847914783829178
Energy: 0.8206588853498951
Energy: 0.8613085872699998
Energy: 0.864944698758956
Energy: 0.821604193385202
Energy: 0.8238671944482143
Energy: 0.8812550612720242
Energy: 0.8211442289659762
Energy: 0.8876626325156911
Energy: 0.857244285864369
Energy: 0.8194684373889433
Energy: 0.82152616463808
Energy: 0.8854566635425051
Energy: 0.8259158803193195
Energy: 0.8767975850636445
Energy: 0.8785697689773603
Energy: 0.8260172658085424
Energy: 0.8471662685534884
Energy: 0.9597827343779429
Energy: 1.1949314494212566
Energy: 1.0402677708734023
Energy: 0.9906764764200326
Energy: 1.0835321103709572
Energy: 0.8503558920326996
Energy: 0.9733862552637119
Energy: 1.192614007738184
Energy: 0.935683573782804
Energy: 0.8863064707962968
Energy: 0.8194685279332514
Energy: 0.8595856911164763
Energy: 0.8857379229414044
Energy: 0.956816805535494
Energy: 1.0017752601343046
Energy: 0.9934933651187926
Energy: 0.9042958744213323
Energy: 0.9988752095530603
Energy: 0.8063973474973364
Energy: 1.1941287891151402
Energy: 0.8633160785334898
Energy: 0.8935540453332634
Energy: 0.8150209979831489
Energy: 0.9868262221613429
Energy: 0.8925944684146696
Energy: 1.173382125229066
Energy: 1.2564226265947496
Energy: 0.9962692672813258
Energy: 0.8093333743835779
Energy: 1.2556999655428218
Energy: 1.0457441876348248
Energy: 1.1808660294444606
Energy: 0.9968828725561495
Energy: 0.8920891924529118
Energy: 0.7938658984566883
Energy: 1.2565125888162705
Energy: 0.8913930233279135
Energy: 1.4727814842135534
Energy: 0.8707072522108894
Energy: 0.8798352355570199
Energy: 1.3578450570868998
Energy: 0.7889847481633724
Energy: 1.0599214600906077
Energy: 1.2481638050540145
Energy: 1.1941646929516605
Energy: 1.1962460348432864
Energy: 1.2491254268138017
Energy: 0.7895126794461255
Energy: 1.1728123540624629
Energy: 0.9860591865600598
Energy: 0.8927406877842428
Energy: 0.8923269237624044
Energy: 0.9865033783362405
Energy: 0.8165062518126164
Energy: 0.8927964210180933
Energy: 0.9959337751416589
Energy: 1.0022723945526808
Energy: 0.9968622283656113
Energy: 0.9967949835874202
Energy: 1.1332034494356873
Energy: 0.9967960004026308
Energy: 0.8213488564430141
Energy: 0.8584044781580689
Energy: 0.886643985688027
Energy: 0.8667336120788289
Energy: 0.8209566560827797
Energy: 0.8856152741674145
Energy: 1.5296138675589748
Energy: 0.8426274853791762
Energy: 1.0461447836504143
Energy: 0.7833122005975887
Energy: 1.0847765532943823
Energy: 1.1667140140337142
Energy: 0.8278211989105062
Energy: 0.8692306666566699
Energy: 0.8919148323117736
Energy: 0.9525540606198037
Energy: 0.8238355991192711
Energy: 0.8905669287718192
Energy: 0.8168506057185746
Energy: 0.8580925493057567
Energy: 0.8865301914225161
Energy: 0.8165309879305456
Energy: 0.8184548335039873
Energy: 0.8867751952356989
Energy: 0.818157511035422
Energy: 0.8631870144866352
Energy: 0.8879231556114537
Energy: 0.8193537279529506
Energy: 0.8184051725296523
Energy: 0.8864555853245785
Energy: 0.823922587187358
Energy: 0.8850203154658655
Energy: 0.8851086602319755
Energy: 0.8234361962472863
Energy: 0.8159583704494318
Energy: 0.8869081542233639
Energy: 1.2460305841207486
Energy: 0.9796015258059715
Energy: 0.9734299046504311
Energy: 1.2460332507718943
Energy: 1.0157798711832753
Energy: 0.9752142449982655
Energy: 1.1942848998823468
Energy: 0.8612470121703452
Energy: 0.8883846747934645
Energy: 0.8219031543217387
Energy: 0.9806274457278144
Energy: 0.8892198995435461
Energy: 0.8366720869407328
Energy: 0.9907079749675182
Energy: 0.9919935163455146
Energy: 0.8348563609187433
Energy: 1.046411327475588
Energy: 0.7924183438668567
Energy: 1.1932062616792554
Energy: 0.8608458553915254
Energy: 0.8840239937653538
Energy: 0.8323224559436178
Energy: 0.9882908869321861
Energy: 0.8899455075423611
Energy: 1.1813562183948523
Energy: 1.0263325323930625
Energy: 0.8899120018910124
Energy: 0.8005674248736621
Energy: 1.2555371111435818
Energy: 0.8914880334019516
Energy: 1.1822527850814128
Energy: 0.9895540115810403
Energy: 0.989132133689207
Energy: 0.8003173734206067
Energy: 1.2698548846758724
Energy: 1.0541666825673568
Energy: 1.160267356286745
Energy: 0.8709425046823919
Energy: 0.9591017483059449
Energy: 1.1155910350003226
Energy: 0.7888131594071437
Energy: 0.9582041458992706
Energy: 1.363832046067269
Energy: 1.1716331476658313
Energy: 1.1713060237025945
Energy: 1.3612137838922669
Energy: 1.1659741761299054
Energy: 1.17122135789072
Energy: 0.9816022531044535
Energy: 0.8892332623732156
Energy: 0.9608987449028709
Energy: 0.9380444031161472
Energy: 0.942958088255715
Energy: 0.9622701072162124
Energy: 0.9966428956455279
Energy: 1.0344443033287989
Energy: 1.035776327607306
Energy: 0.9952895404986551
Energy: 0.8179782026298585
Energy: 0.9969564713809792
Energy: 0.8163045566993006
Energy: 0.8922995314320944
Energy: 0.8910049975541092
Energy: 0.8218061724919148
Energy: 0.818894966941627
Energy: 0.8840590142094412
Energy: 1.5299246607519812
Energy: 0.8203672136146205
Energy: 0.8711836768581765
Energy: 0.7713020225517754
Energy: 1.0823371328591773
Energy: 0.8853791911985974

minimum gb energy = 0.7713020225517754 eV
minimum distance =  2.36376924636139 Angstroms
sigma value = 33


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

Energy: 0.991586942495985
Energy: 1.440434892677642
Energy: 1.447525992772496
Energy: 0.9945510207662906
Energy: 1.1842132798279779
Energy: 1.4317048154041105
Energy: 0.87265444349755
Energy: 0.9090351249769852
Energy: 0.9266022622310196
Energy: 0.8816384927269431
Energy: 0.8706407432690468
Energy: 0.9300721159034454
Energy: 0.866092751568933
Energy: 0.8944234614023058
Energy: 0.8804713083561893
Energy: 0.8629244082936793
Energy: 0.899147984571869
Energy: 0.9185688884628047
Energy: 0.8628374347548559
Energy: 0.8959993680695125
Energy: 0.8960550490290972
Energy: 0.8650022133824539
Energy: 0.8992884863089918
Energy: 0.8998429722943103
Energy: 0.8728995536013473
Energy: 0.8822629360187835
Energy: 0.9233410614642282
Energy: 0.8728320850765624
Energy: 0.8478283767698908
Energy: 0.9275519809745222
Energy: 1.2936299099208306
Energy: 0.8820348443505509
Energy: 0.8602440577643191
Energy: 0.8772272734124876
Energy: 0.847659888927368
Energy: 0.8610551604559363
Energy: 0.9265824248816188
Energy: 0.8476463994387267
Energy: 0.9226228913756531
Energy: 0.8669692325308052
Energy: 0.8546582113413896
Energy: 0.9211051253699617
Energy: 1.0132661881900924
Energy: 1.1764354679311415
Energy: 0.8583425219313808
Energy: 1.014699635220493
Energy: 1.1726219387619612
Energy: 0.8411412433626272
Energy: 0.8903115218773473
Energy: 0.8470479993510653
Energy: 0.9211168724871232
Energy: 0.9175560601375573
Energy: 0.8492131630223189
Energy: 0.9283726436390654
Energy: 0.8949446944000389
Energy: 0.8519591844082844
Energy: 0.8833132119949763
Energy: 0.864941445547403
Energy: 0.84857861085089
Energy: 0.8970174790692361
Energy: 0.8927252108577571
Energy: 0.8948246257803472
Energy: 0.895432622656339
Energy: 0.8650850679750609
Energy: 0.8953781608549727
Energy: 0.9202433657771922
Energy: 0.8901779918434749
Energy: 0.831184526741977
Energy: 0.9097114789528508
Energy: 0.9077267591028577
Energy: 0.9258377226277686
Energy: 0.9200054034073678
Energy: 0.8765329681068438
Energy: 0.8306937507538864
Energy: 0.8367846011178905
Energy: 0.8772968316363562
Energy: 0.8326231000048544
Energy: 0.994228596969819
Energy: 0.8640788561889808
Energy: 0.8952037809474774
Energy: 0.9215986839923475
Energy: 0.8656416812439524
Energy: 0.8851620754487863
Energy: 0.9201504920810031
Energy: 0.8326495303593836
Energy: 0.8937732266978418
Energy: 0.8952669301366333
Energy: 0.8652083888313186
Energy: 0.9404389684299876
Energy: 0.8780501687985405
Energy: 0.8677219762281133
Energy: 0.9051866395078444
Energy: 0.9246146066675964
Energy: 0.885250803256187
Energy: 0.8685069822926786
Energy: 0.9240220178223526
Energy: 0.8672186213131495
Energy: 0.8794331490479138
Energy: 0.8957275329943497
Energy: 0.8446764106452703
Energy: 0.8784479429462272
Energy: 0.8613928343550186
Energy: 0.865484056643481
Energy: 0.8695327882577206
Energy: 0.931567325251545
Energy: 0.8802943899983833
Energy: 0.8713539337681161
Energy: 0.925904933880058
Energy: 1.252792699327575
Energy: 0.8350720041699069
Energy: 0.8326879914817877
Energy: 0.8578262893908106
Energy: 0.8737879938134133
Energy: 0.8968534214701199
Energy: 0.8492730907626223
Energy: 0.8344832921391544
Energy: 0.8344699690600046
Energy: 0.8493475409451423
Energy: 0.8721609788519759
Energy: 0.8466930823274164
Energy: 0.8458316744853195
Energy: 0.9241422687212366
Energy: 0.9223825664739781
Energy: 0.8472408868948718
Energy: 0.9186962353549637
Energy: 0.9203630900296806
Energy: 1.257409764760966
Energy: 0.8978818630742865
Energy: 1.1470856616560146
Energy: 1.2567858182109228
Energy: 0.8650055138785117
Energy: 1.1466521828615777
Energy: 0.8703724124277263
Energy: 0.909083185783082
Energy: 0.9291077821445525
Energy: 0.844733482666089
Energy: 0.8689352233309
Energy: 0.9261594046892897
Energy: 0.9945882246473087
Energy: 1.2227969731776196
Energy: 1.439045175308697
Energy: 0.8324167988252836
Energy: 1.2910224184590724
Energy: 1.4395046906204672
Energy: 0.8740536727977382
Energy: 0.9040901564462992
Energy: 0.9272135241017332
Energy: 0.8718830774164547
Energy: 0.8690640337321716
Energy: 0.9282546937940219
Energy: 0.864558232892696
Energy: 0.8939227389541239
Energy: 0.879211033985807
Energy: 0.864679034455141
Energy: 0.8639084311072968
Energy: 0.8974989410542681
Energy: 0.8659690195771848
Energy: 0.8951017630010033
Energy: 0.9196562842034529
Energy: 0.8655835386195351
Energy: 0.8990040952791156
Energy: 0.882454524659624
Energy: 0.871515948616612
Energy: 0.8511702197791614
Energy: 0.9321070462417947
Energy: 0.868868628024815
Energy: 0.8488406758187678
Energy: 0.9301671003292551
Energy: 0.9934842706965967
Energy: 0.8619325035055977
Energy: 0.8603644053399067
Energy: 0.9938210468665787
Energy: 0.8451905108879815
Energy: 0.875403124038157
Energy: 0.8898546719175063
Energy: 0.8481892548881027
Energy: 0.9249701710066249
Energy: 0.8685038502288214
Energy: 0.8482426368109713
Energy: 0.9241133318088526
Energy: 1.0144157247473449
Energy: 0.8512105360519642
Energy: 0.8399851402155084
Energy: 1.013633016467285
Energy: 0.8507668091547029
Energy: 0.8399029920840813
Energy: 0.8925842030519775
Energy: 0.8470338238772538
Energy: 0.9176612962853226
Energy: 0.9033556585543583
Energy: 0.8470438264555852
Energy: 0.9236384735675054
Energy: 0.8936538659019653
Energy: 0.8501147409189794
Energy: 0.8494300562692416
Energy: 0.865089450555566
Energy: 0.8510729012910024
Energy: 0.8480630841802819
Energy: 0.893836599505403
Energy: 0.8847458334341602
Energy: 0.8939366874002905
Energy: 0.8656209650299811
Energy: 0.920478762023507
Energy: 0.8993101966539067
Energy: 0.8929878791113831
Energy: 0.830515511104679
Energy: 0.9267356844949578
Energy: 0.9070655231064929
Energy: 0.8396742340513559
Energy: 0.9248839730552818
Energy: 0.8734500177088705
Energy: 0.8314754032274018
Energy: 0.8398411670893238
Energy: 0.8725413031508956
Energy: 0.8319536703992688
Energy: 0.8864379833534598
Energy: 0.8674962573742383
Energy: 0.8983337048534554
Energy: 0.9239473655660538
Energy: 0.8689349926479988
Energy: 0.8855614193949662
Energy: 0.9234571992233134
Energy: 0.881384175686612
Energy: 0.8973666698510641
Energy: 0.8831053476160264
Energy: 0.8642039786486245
Energy: 0.86614007821308
Energy: 0.8950444698399732
Energy: 0.8698538654195392
Energy: 0.9071073751654186
Energy: 0.9206474944372081
Energy: 0.8877657863792714
Energy: 0.8684844862915564
Energy: 0.9208337266719531
Energy: 0.8661994219966274
Energy: 0.8737581769662862
Energy: 0.8857685558803722
Energy: 0.8449720219395553
Energy: 0.8738493304066921
Energy: 0.861823212979468
Energy: 0.8651300310190934
Energy: 0.8718361133918974
Energy: 0.9212556034322562
Energy: 0.8492758769797122
Energy: 0.8718448560938483
Energy: 0.9273205599613131
Energy: 0.8627264147425814
Energy: 0.9323458949800513
Energy: 0.8382649249907622
Energy: 0.856461735516817
Energy: 0.8727778099693979
Energy: 0.8966106737157815
Energy: 0.8506702775729117
Energy: 0.8339945034464167
Energy: 0.8315640888083745
Energy: 0.8505224076155983
Energy: 0.8753542141632188
Energy: 0.8341055036170933
Energy: 0.8462659476843307
Energy: 0.9250437745526873
Energy: 0.9254566746119328
Energy: 0.8474889736440416
Energy: 0.9178291626430847
Energy: 0.925843237993363
Energy: 1.1470800318860952
Energy: 1.146627985571002
Energy: 1.1489941138016215
Energy: 1.1483043297434237
Energy: 0.8648435511211466
Energy: 1.1484523204839632
Energy: 0.8674601825568831
Energy: 0.9095335621503972
Energy: 0.9231750593676108
Energy: 0.8492571467926938
Energy: 0.8701444451704053
Energy: 0.9224272250117992
Energy: 0.8782051300965855
Energy: 0.9032453016190021
Energy: 0.868197038354289
Energy: 0.8324520770468194
Energy: 1.2895810582934395
Energy: 0.8396238766223341

minimum gb energy = 0.830515511104679 eV
minimum distance =  2.35611271755759 Angstroms
sigma value = 67


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

Energy: 1.1324529983753129
Energy: 0.8837419611419767
Energy: 0.8834981416654658
Energy: 1.1335340930566118
Energy: 0.9439957174236122
Energy: 0.9083985440216484
Energy: 0.9653580706655105
Energy: 1.000027012409992
Energy: 0.9911862087306021
Energy: 0.9104446621042488
Energy: 0.9778982655727965
Energy: 0.9921338999268924
Energy: 1.041510632411408
Energy: 0.8785580893895784
Energy: 0.9634298303149956
Energy: 0.9497717245710007
Energy: 0.8865499724180622
Energy: 0.9623920970591479
Energy: 1.002121603444193
Energy: 0.928549429372784
Energy: 0.9281139559485242
Energy: 0.9771825716876493
Energy: 0.948835341774398
Energy: 0.990892965053442
Energy: 0.9788556586686479
Energy: 0.9294383080741041
Energy: 0.9298964914679813
Energy: 0.9792923520047311
Energy: 0.9279116568547966
Energy: 0.953099153369839
Energy: 0.9358357324216483
Energy: 0.9206968482530365
Energy: 0.9694941999640077
Energy: 0.9360533752757481
Energy: 0.9182324006167187
Energy: 0.9605109237701354
Energy: 0.9652966840840741
Energy: 0.9393650813327867
Energy: 0.9308411005130734
Energy: 0.9677749491547408
Energy: 0.9255096481277257
Energy: 0.9292159070370333

minimum gb energy = 0.8785580893895784 eV
minimum distance =  2.36685977598621 Angstroms
sigma value = 3


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

Energy: 1.621820405685072
Energy: 1.1589105433409022
Energy: 1.059430443410052
Energy: 1.0972498492014298
Energy: 1.1526458286399686
Energy: 1.0812639111708575
Energy: 1.059381105476116
Energy: 1.0721917218473862
Energy: 1.0300647871135742
Energy: 1.0290563530421124
Energy: 1.0759102150747248
Energy: 1.0360495199317261
Energy: 1.1964017178103104
Energy: 1.0361319882751716
Energy: 1.024588689934327
Energy: 1.1363208297202494
Energy: 1.0407629720749205
Energy: 1.140465516802594
Energy: 1.0763311219968872
Energy: 1.0394967113346079
Energy: 1.0394415991459343
Energy: 1.0754927848736255
Energy: 1.0551037936861554
Energy: 0.9851103206121928
Energy: 1.0859144734251496
Energy: 1.010322296993506
Energy: 1.085352953979184
Energy: 1.04555250739096
Energy: 1.0059839146878158
Energy: 1.0426708430180671
Energy: 1.1472548548368886
Energy: 1.080985516458071
Energy: 1.0895682467602543
Energy: 1.1519768013943879
Energy: 1.0005804204781732
Energy: 1.103656294013637
Energy: 1.0744258374390556
Energy: 1.1035623211195094
Energy: 1.108052321533372
Energy: 1.05087992193501
Energy: 1.1430049960845776
Energy: 1.0875760747919758
Energy: 1.1677580256131064
Energy: 1.143055735026653
Energy: 1.1457014442133442
Energy: 1.0455805980961346
Energy: 1.3954300039565173
Energy: 1.1481483122161658
Energy: 1.0737554735156887
Energy: 1.0718396101612244
Energy: 1.0915070190601173
Energy: 1.149615891902438
Energy: 1.049101990774779
Energy: 1.0892181894154689
Energy: 1.1300055538498914
Energy: 1.096539967690006
Energy: 1.1025564031311845
Energy: 1.1313495210428426
Energy: 1.0929759909336445
Energy: 1.0890977318196469
Energy: 1.118543131494048
Energy: 1.0669111051590128
Energy: 1.035863310547106
Energy: 1.1176996255774723
Energy: 0.9853996256109675
Energy: 1.0689408424015778
Energy: 1.114010928579322
Energy: 1.0951098773023482
Energy: 1.097517342567223
Energy: 1.113615839505764
Energy: 1.081478594026393
Energy: 1.093582283122939
Energy: 1.203127310862471
Energy: 1.0807471869205099
Energy: 1.0886895830999639
Energy: 1.0215687230954142
Energy: 1.0596417687537365
Energy: 1.0925176842424047
Energy: 1.1069593913538662
Energy: 1.0506452838078695
Energy: 1.0503593695169386
Energy: 1.1044175483965237
Energy: 1.0551072753385504
Energy: 1.0432763784568366
Energy: 1.2584871539944424
Energy: 1.2016396750199672
Energy: 1.1971316915048231
Energy: 1.0313075622271828
Energy: 1.202418883968661
Energy: 1.1597487855089916
Energy: 1.1259585187820857
Energy: 1.0701823886685062
Energy: 1.0672260668541769
Energy: 1.1272914554959228
Energy: 1.1397710449422218
Energy: 1.0691028272538463
Energy: 1.1660623577629172
Energy: 1.0340034611503364
Energy: 1.0358201058602812
Energy: 1.1698183345811064
Energy: 1.0402566227349619
Energy: 1.0329199845977601
Energy: 1.0480578442022066
Energy: 1.072836857992208
Energy: 1.0838638810982757
Energy: 1.0483095472199133
Energy: 1.0020252338104536
Energy: 1.0780606112687519
Energy: 1.1595296732621503
Energy: 1.150942305634376
Energy: 1.1316984121131421
Energy: 1.0594557916859046
Energy: 1.1263186002262244
Energy: 1.1204530956804635
Energy: 1.2036071638559955
Energy: 1.0579903041930854
Energy: 1.0366889708547293
Energy: 1.0350770126224602
Energy: 1.0620344672350424
Energy: 1.0971539489161808
Energy: 1.0456497443140034
Energy: 1.0712752767040865
Energy: 1.071900998063297
Energy: 1.0408728634081204
Energy: 1.0504220155703965
Energy: 1.065571169893753
Energy: 1.1747970258390825
Energy: 1.0611048379749162
Energy: 1.06509333550247
Energy: 1.1795650906080404
Energy: 1.1630195680055841
Energy: 1.0599302701647504
Energy: 1.0580463783941936
Energy: 1.0746506641095477
Energy: 1.0787841588739524
Energy: 1.058451054012711
Energy: 1.0320645396999024
Energy: 1.086670982197092
Energy: 1.0444165250090471
Energy: 1.0731351828353464
Energy: 1.0803073184424872
Energy: 1.0390290957504906
Energy: 1.057691293991022
Energy: 1.1223041222123689
Energy: 1.129633965911355
Energy: 1.1188851769650925
Energy: 1.1113253984432523
Energy: 1.0819817723577654
Energy: 1.062794427370312
Energy: 1.1234098280835498
Energy: 1.1659708319774484
Energy: 1.1991314548612808
Energy: 1.0447508572630462
Energy: 0.9531485822972867
Energy: 1.238586764314627
Energy: 0.9792467649519694
Energy: 0.9456664301106934
Energy: 1.151265511512482
Energy: 1.0309174315943093
Energy: 0.9242579060299371
Energy: 1.1587044199595211
Energy: 1.0196084233559415
Energy: 1.1330399737342176
Energy: 1.0910958023338517
Energy: 1.1023779149467887
Energy: 1.1017574493551359
Energy: 1.1243577643524016
Energy: 1.095473666943161
Energy: 1.096515783821564
Energy: 1.0250528491782636
Energy: 1.0252762066239893
Energy: 1.079917581130094
Energy: 1.0267882606249508
Energy: 1.1216446228608672
Energy: 1.0651367436434742
Energy: 1.09928266595779
Energy: 1.0961780117564566
Energy: 1.0676704651769027
Energy: 1.074763425379187
Energy: 1.0442242226685043
Energy: 1.152372184899659
Energy: 1.0887627234111297
Energy: 1.096961802497805
Energy: 1.1563002068152102
Energy: 1.0784843449127808
Energy: 1.083879005732781
Energy: 1.0738243161128687
Energy: 1.1040964877929649
Energy: 1.0923814593654497
Energy: 1.0335416280139964
Energy: 1.1610859114257204
Energy: 1.0920383194304046
Energy: 1.1666008561056813
Energy: 1.1037980278685124
Energy: 1.0755123577287427
Energy: 1.0388100242883693
Energy: 1.1181772646212027
Energy: 1.0717530956041545
Energy: 1.0392866067847282
Energy: 1.091743025083374
Energy: 1.0886964136803183
Energy: 1.037189280240198
Energy: 1.0312669991411185
Energy: 1.0733843450642644
Energy: 1.0734203440899066
Energy: 1.056628030563574
Energy: 1.0609267417077533
Energy: 1.0560590095636622
Energy: 0.9825683191947496
Energy: 1.1021778973521927
Energy: 1.1733494850222481
Energy: 1.077673407495065
Energy: 1.0808752339312198
Energy: 1.172446251537949
Energy: 1.0983673711753397
Energy: 1.0881904845373631
Energy: 1.1348919513489115
Energy: 1.094417893888039
Energy: 1.082395979578216
Energy: 1.1366507451300047
Energy: 1.0528953432030335
Energy: 1.0788489596254829
Energy: 1.1967507152987589
Energy: 1.143569034452581
Energy: 1.1467108124604006
Energy: 1.2005655614434072
Energy: 1.147301208719493
Energy: 1.1591554951252578
Energy: 1.1220611213982017
Energy: 1.041222292028877
Energy: 1.0612404560640967
Energy: 1.058176203257174
Energy: 1.0505159917058504
Energy: 1.064821581634963
Energy: 1.2643154751703558
Energy: 1.1352967319085188
Energy: 1.1442329281208112
Energy: 1.035480289160094
Energy: 1.1303915403573426
Energy: 1.1160066954294752
Energy: 1.225973714577161
Energy: 1.1537442923881507
Energy: 1.129751318061295
Energy: 1.228248425210629
Energy: 1.1149567065022987
Energy: 1.1258556722665365
Energy: 1.2346716359970171
Energy: 1.0611670087638037
Energy: 1.0294718312071975
Energy: 1.2326427742136499
Energy: 1.0370504844531334
Energy: 1.0804249515521882
Energy: 1.232811197841236
Energy: 1.0412567421662868
Energy: 1.0778813536949547
Energy: 1.233039344639445
Energy: 1.034853713267344
Energy: 1.0662630344346005
Energy: 1.1529017165658886
Energy: 1.0394985252400966
Energy: 1.0440920388700896
Energy: 1.1857024888456968
Energy: 1.1334787049692683
Energy: 1.0715849878943395
Energy: 1.383207997059889
Energy: 1.1047619111396854
Energy: 1.1389509307407573
Energy: 1.045160565906374
Energy: 1.1039381070374576
Energy: 1.1453842530922165
Energy: 1.0460018378990699
Energy: 1.040480209565989
Energy: 1.0824719495096866
Energy: 1.0566534345511691
Energy: 1.064578687295975
Energy: 1.06754886539231
Energy: 1.1658791141584075
Energy: 1.0604712263703577
Energy: 1.0826125325189249
Energy: 1.1707154630063807
Energy: 0.9952484087692002
Energy: 1.0578132844765704
Energy: 1.0431746267870101
Energy: 1.0121135617414543
Energy: 1.0739009597471436
Energy: 1.0431700887784576
Energy: 1.0419161271167174
Energy: 1.0038678239025465
Energy: 1.0580320310250886
Energy: 1.058303756093253
Energy: 1.0714710202493412
Energy: 1.0585404129026825
Energy: 1.0360948605114937
Energy: 0.998710305667822
Energy: 1.1114792961332978
Energy: 1.0571867555362735
Energy: 1.0594395486169652
Energy: 1.0472913695329447
Energy: 1.0558508399643765
Energy: 1.066894168729645
Energy: 1.0574243944241022
Energy: 1.009788784228603
Energy: 1.0320004461422214
Energy: 1.0899610309445467
Energy: 0.9668309611742808
Energy: 1.0260249536542814

minimum gb energy = 0.9242579060299371 eV
minimum distance =  2.33507152949147 Angstroms
sigma value = 81


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

Energy: 1.6093722026109543
Energy: 1.14533993045242
Energy: 1.1454732578655071
Energy: 1.1450481254313603
Energy: 1.0372618536151357
Energy: 1.1463864008982267
Energy: 0.9717141503438522
Energy: 0.9561507982168643
Energy: 0.9584522353707436
Energy: 0.9398328837681231
Energy: 0.9401372897671098
Energy: 0.952183502653697
Energy: 1.0150178780910326
Energy: 0.9481763551477383
Energy: 0.9491396495440949
Energy: 1.0128030662927194
Energy: 0.9801678548901959
Energy: 0.9544529517178619
Energy: 0.9364529844212901
Energy: 0.9571233635711256
Energy: 0.9560371624109312
Energy: 0.9370869095677151
Energy: 0.9496507886390306
Energy: 0.9562901594355494
Energy: 0.9355607624863667
Energy: 0.9526776051226812
Energy: 0.9542548188360422
Energy: 0.9358810715076692
Energy: 0.9591118135785609
Energy: 0.9537417861950165
Energy: 1.012236147873398
Energy: 1.000891885679683
Energy: 0.9530453160007625
Energy: 1.0120161653905158
Energy: 1.0267550331856687
Energy: 0.9546053505016028
Energy: 0.9363612424355567
Energy: 0.9564187971917392
Energy: 0.9616984790309369
Energy: 0.9411737173652006
Energy: 0.9410870785550143
Energy: 0.9561928540807652
Energy: 1.2306508959554099
Energy: 1.0047523569358248
Energy: 1.0813291220881411
Energy: 1.1204517181519116
Energy: 1.0243886634511605
Energy: 1.070038270328447
Energy: 0.9406193422161189
Energy: 0.9590628497874528
Energy: 0.9579165154296794
Energy: 0.940773027776071
Energy: 0.9415999054178632
Energy: 0.9514397921316123
Energy: 1.1034517713723127
Energy: 1.0646620767492743
Energy: 1.1042505746246332
Energy: 1.1040150949585925
Energy: 1.0172053566473611
Energy: 1.1037819330808276
Energy: 0.9401565503443424
Energy: 0.9601191267501127
Energy: 0.9984967668323133
Energy: 0.9395358391873561
Energy: 0.9228527208690657
Energy: 0.9562698528662351
Energy: 0.9237098907896877
Energy: 0.955739844998749
Energy: 0.9560378892785785
Energy: 0.9289943564762412
Energy: 0.9427390712383711
Energy: 0.9563795087820731
Energy: 1.0579750969299324
Energy: 0.9553503129516391
Energy: 0.9559123796024798
Energy: 1.0639966529319038
Energy: 0.9377884053763675
Energy: 0.9468269610652946
Energy: 0.9386106906822451
Energy: 0.9374112051787361
Energy: 0.9546552058470535
Energy: 0.9391500069539512
Energy: 0.9386132216941644
Energy: 0.9659931863889089
Energy: 1.0803705845445677
Energy: 1.090526947921942
Energy: 1.0915082314197533
Energy: 1.0031294063023206
Energy: 0.9552323348643317
Energy: 0.9535128468836626
Energy: 0.9397543385797379
Energy: 0.9567076676501708
Energy: 0.9599784245608581
Energy: 0.9396340614294525
Energy: 0.9408426185757287
Energy: 0.9507327424619187
Energy: 1.0819657218804302
Energy: 1.0399449876341813
Energy: 1.041029759420477
Energy: 1.081949469675473
Energy: 1.1199811937795516
Energy: 1.0834156305870772
Energy: 0.9376903482274214
Energy: 0.9628221350688899
Energy: 0.9522962631407176
Energy: 0.9432806998496417
Energy: 0.9408318501513411
Energy: 0.9564704005859164
Energy: 0.9252388170658705
Energy: 0.9570455930910859
Energy: 1.0154541385895544
Energy: 0.9508422931039003
Energy: 0.9397824964856821
Energy: 1.0158052490028118
Energy: 0.9269441529187082
Energy: 0.9559295073063244
Energy: 0.9295011028993629
Energy: 0.9552273166242751
Energy: 0.9404101180790244
Energy: 0.9285243026117747
Energy: 0.9377563057425721
Energy: 0.9586954751268417
Energy: 0.951514404481693
Energy: 0.9407899113532103
Energy: 0.9399088984704389
Energy: 0.9556764616857218
Energy: 1.0126390863634878
Energy: 0.9525111802842328
Energy: 0.9476165101000762
Energy: 1.012969542632034
Energy: 1.0543038784505363
Energy: 0.951091231474191
Energy: 0.936432878623106
Energy: 0.9559426913598194
Energy: 0.9502528834591569
Energy: 0.9370267651889633
Energy: 0.9409220368063141
Energy: 0.9380985190269923
Energy: 0.9387998632067334
Energy: 0.9562470652150689
Energy: 0.9556784254408117
Energy: 0.9375209272076539
Energy: 0.9542325457221359
Energy: 0.9550372346860037
Energy: 0.9370844937532942
Energy: 0.9606890603021334
Energy: 0.9570224814505569
Energy: 0.9419927244238043
Energy: 0.9410226038431715
Energy: 0.9556567242735419
Energy: 1.1758634638797505
Energy: 1.080092404074209
Energy: 1.0238570514454515
Energy: 1.0413291982593902
Energy: 1.0803774014987608
Energy: 0.9551051289737612
Energy: 0.9209077250317483
Energy: 1.082129824996347
Energy: 0.9548617151907556
Energy: 0.9193994253385998
Energy: 0.9405199558822958
Energy: 0.9547137107899367
Energy: 0.9396560933434204
Energy: 0.9598411822335027
Energy: 0.9564096715020705
Energy: 0.9394521509893407
Energy: 0.9225204845050805
Energy: 0.9575216703813719
Energy: 1.0036254944881533
Energy: 1.1061146640755324
Energy: 1.1050577277247737
Energy: 1.0021055828985423
Energy: 1.0177028574308993
Energy: 1.1037378438258094
Energy: 0.9387303852687816
Energy: 0.955314776349567
Energy: 0.9577815663306969
Energy: 0.9402496853886473
Energy: 0.9413239082899578
Energy: 0.950682023686627
Energy: 1.054033174391212
Energy: 0.9579839108109984
Energy: 0.9567418010418287
Energy: 1.0570081097231883
Energy: 1.0118768866012169
Energy: 0.953413680718824
Energy: 0.9379767527958495
Energy: 0.9375557347866587
Energy: 0.9551658028167552
Energy: 0.9396679921919444
Energy: 0.9376503416591502
Energy: 0.954796535957374
Energy: 1.0003772468822787
Energy: 0.9557266172442895
Energy: 0.954229031755447
Energy: 1.0266561881038552
Energy: 0.9364362879991288
Energy: 0.954220740287385
Energy: 0.9397576175508388
Energy: 0.9554545525360117
Energy: 0.9538785819609483
Energy: 0.9393982507211385
Energy: 0.9581964442529001
Energy: 1.001901793405137
Energy: 0.9398505010963911
Energy: 0.963105049353159
Energy: 0.9569347289910598
Energy: 0.9405895955286853
Energy: 0.9571235254715837
Energy: 0.9544920226106932
Energy: 1.0902006618979116
Energy: 1.0404456382912868
Energy: 1.0413978957514607
Energy: 1.0888019903265314
Energy: 1.120677392869515
Energy: 1.0239395427564484
Energy: 0.9357447058810054
Energy: 0.9562893759003547
Energy: 0.9577110662899065
Energy: 0.9407578597410147
Energy: 0.9391319130847228
Energy: 0.957067755241164
Energy: 1.6100428184418942
Energy: 1.101057262567022
Energy: 1.1495561884109295
Energy: 1.1077302942624623
Energy: 1.0255824292781073
Energy: 1.1497847661115725

minimum gb energy = 0.9193994253385998 eV
minimum distance =  2.3380916947963 Angstroms
sigma value = 43


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

Energy: 1.7179706727915425
Energy: 1.1585816455294073
Energy: 1.112353131548838
Energy: 1.1493006103893955
Energy: 1.2185083765783429
Energy: 1.1492237438700044
Energy: 1.0013786513141791
Energy: 0.9975452649107392
Energy: 1.0092215388074561
Energy: 1.063544592780804
Energy: 0.9761990211084258
Energy: 1.0147973262808359
Energy: 1.001177464071059
Energy: 1.0081397188891215
Energy: 1.0289099985764185
Energy: 1.0012880282735406
Energy: 1.0068589713493674
Energy: 1.0033390308147045
Energy: 1.001758571326583
Energy: 0.9597302998908075
Energy: 1.008670756902228
Energy: 0.9905907909975397
Energy: 1.0125099462933913
Energy: 0.9910860192221628
Energy: 0.9994115672637077
Energy: 0.989703075244443
Energy: 0.9900088045941691
Energy: 0.9863714108300328
Energy: 0.9972851198405386
Energy: 0.9933356731255647
Energy: 1.1495748245129287
Energy: 0.9970037014566997
Energy: 0.9930174099421406
Energy: 1.006492502617598
Energy: 0.9913864896656143
Energy: 0.9938351578756719
Energy: 1.0063284840939182
Energy: 0.9762341475480572
Energy: 0.977214325948609
Energy: 1.006083499764285
Energy: 0.9777353448417726
Energy: 1.0045493643152477
Energy: 1.4230406655400443
Energy: 1.0017992666764215
Energy: 1.119401322872627
Energy: 1.0075786740902675
Energy: 1.0023586597849956
Energy: 1.0068143802956178
Energy: 0.9725047333368263
Energy: 1.0020091803136306
Energy: 1.0019852340786641
Energy: 0.9764032674745299
Energy: 1.007514435481005
Energy: 1.0090081236193043
Energy: 1.2148565987215019
Energy: 1.0877990352245583
Energy: 1.0701308368928248
Energy: 1.2153689242671426
Energy: 1.070550419987142
Energy: 1.0643206743372329
Energy: 0.9800515011631604
Energy: 0.9817797129230723
Energy: 0.9922870716047058
Energy: 0.9727349216538315
Energy: 1.0385837434169398
Energy: 1.0113432683705863
Energy: 1.080221507471182
Energy: 1.003291016774924
Energy: 1.0015487394516012
Energy: 0.9583367950362593
Energy: 1.0001109946702553
Energy: 1.004102231764512
Energy: 1.1219698487842746
Energy: 1.0022274194127252
Energy: 0.9865363267386132
Energy: 1.001742078716936
Energy: 1.032373302588334
Energy: 0.9860372315670834
Energy: 0.980108133923487
Energy: 0.999006200466288
Energy: 1.015264061810238
Energy: 0.9735661490452361
Energy: 1.0603942035839686
Energy: 1.0081219616707828
Energy: 1.128962622528817
Energy: 1.0472482361521815
Energy: 1.0119871180551236
Energy: 1.1306305245250319
Energy: 1.1471958371573028
Energy: 1.0118701802231247
Energy: 0.9882563277266354
Energy: 1.01029302762597
Energy: 0.9993200127294073
Energy: 0.9901426689415016
Energy: 0.993412694883462
Energy: 0.9910994963113292
Energy: 1.0028981794152527
Energy: 0.9885077438612349
Energy: 1.0085687880373193
Energy: 1.0042471849216341
Energy: 1.0032487440086393
Energy: 1.023873210597324
Energy: 1.0001888967457468
Energy: 1.0442758999103843
Energy: 1.010317165293573
Energy: 1.0022920910515358
Energy: 1.1134607144504423
Energy: 1.0099965768646009
Energy: 1.0001752218752178
Energy: 0.9993358956428631
Energy: 1.013211156744679
Energy: 1.0013969146583466
Energy: 1.0536560885194213
Energy: 0.9963878440516034
Energy: 1.0439153368092653
Energy: 0.9983805982454308
Energy: 0.996392095385698
Energy: 0.9696763686995981
Energy: 0.9972067152636822
Energy: 1.0313285387440019
Energy: 0.998707456361852
Energy: 0.9859096993514265
Energy: 1.0462176997289874
Energy: 1.0014748059071088
Energy: 0.9789786837429317
Energy: 1.00941476426308
Energy: 1.1048859792946102
Energy: 1.063426038210095
Energy: 1.0914909920785796
Energy: 1.1050017391592555
Energy: 1.0077393003647692
Energy: 1.1234400872592105
Energy: 1.1089670841659616
Energy: 0.9958232405641373
Energy: 1.005089507709856
Energy: 1.05315835082877
Energy: 0.9965572298785953
Energy: 1.0433568485013363
Energy: 1.0711069453997322
Energy: 0.9792137919199301
Energy: 0.9789661245178781
Energy: 1.018567166964596
Energy: 0.9995500937298338
Energy: 0.9739651077387956
Energy: 1.053191264486218
Energy: 0.9746165226715673
Energy: 0.9818158931449377
Energy: 1.0322299856338464
Energy: 0.9740466522599602
Energy: 0.9799008784050038
Energy: 1.0603150695350831
Energy: 0.9799583901046022
Energy: 1.005882624713791
Energy: 1.0173515351115678
Energy: 0.9871286843110031
Energy: 1.0188112883699598
Energy: 1.0603659477923617
Energy: 1.0120650593751068
Energy: 1.011400008322975
Energy: 0.9988507647300616
Energy: 1.0104159760584137
Energy: 1.0091596511500052
Energy: 1.0621145964956726
Energy: 0.9995577018742032
Energy: 1.0193396645355208
Energy: 1.062610754709927
Energy: 1.0090319424321643
Energy: 1.0133810837829615
Energy: 1.081265275480942
Energy: 1.0765556153404452
Energy: 0.993778238120702
Energy: 1.0811266887900393
Energy: 0.9867529689435436
Energy: 0.9939386427176826
Energy: 1.0025029037293722
Energy: 0.9996184156080277
Energy: 1.0145980065437443
Energy: 1.0677287613188562
Energy: 0.9725788837586667
Energy: 1.025650691317807
Energy: 1.0226535634288159
Energy: 1.0992735598421504
Energy: 1.0043591857061798
Energy: 1.1233430490563379
Energy: 0.9880284667592444
Energy: 1.005632179658999

minimum gb energy = 0.9583367950362593 eV
minimum distance =  2.31506982729819 Angstroms
sigma value = 57


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

Energy: 1.1502689529244017
Energy: 0.9794671630858159
Energy: 0.9805153505166497
Energy: 1.021656981262812
Energy: 1.14109738915663
Energy: 0.9795131382261413
Energy: 0.9854586610935373
Energy: 0.9976919538599256
Energy: 1.0244445074833661
Energy: 0.9972815086563649
Energy: 0.9978977754226214
Energy: 0.9880075701640649
Energy: 1.2242823053496474
Energy: 0.9775704919363998
Energy: 0.9070844270479125
Energy: 1.058031340623155
Energy: 0.9764994690563598
Energy: 0.9077539851619462
Energy: 0.9704616669824138
Energy: 0.907361863655828
Energy: 0.978990354420986
Energy: 0.9705716258821038
Energy: 0.91789837298789
Energy: 0.9669478419841622
Energy: 0.9910406264182863
Energy: 0.9712656780284029
Energy: 0.9884330380128842
Energy: 0.9909679828365375
Energy: 0.9718532788953663
Energy: 0.9747600829149385
Energy: 1.110688631689472
Energy: 0.9717628212744084
Energy: 0.9844543707595237
Energy: 0.9712754413656606
Energy: 0.9760803465469904
Energy: 0.9825612680492533
Energy: 0.9925675825327854
Energy: 0.9914847466008099
Energy: 0.9919451356020538
Energy: 0.9982815578773442
Energy: 0.9927827655232594
Energy: 0.9720109283891749
Energy: 0.987739883737428
Energy: 0.9523691550799654
Energy: 1.003439138247056
Energy: 0.9822318848572203
Energy: 0.9690767442841233
Energy: 0.9674561469452089
Energy: 0.9974225015198457
Energy: 0.9938817641894877
Energy: 1.023644377785361
Energy: 0.9982348494707518
Energy: 0.9994936296081245
Energy: 0.9850137813003685
Energy: 1.0512364013770914
Energy: 1.0339067928104724
Energy: 1.033210774573188
Energy: 1.0518607129166881
Energy: 1.0443216335926733
Energy: 1.0340176252038489
Energy: 1.0088952807630032
Energy: 0.9797229125844614
Energy: 0.9855710413642819
Energy: 0.993214644262977
Energy: 0.9936987438179632
Energy: 1.0116906823566838
Energy: 0.9238258903151444
Energy: 0.9789474604985241
Energy: 1.011183597910238
Energy: 0.9248156107123141
Energy: 0.9923159424133892
Energy: 1.0056571872098767
Energy: 0.9261170736664704
Energy: 0.9688301307950471
Energy: 0.9777379118634706
Energy: 0.9064807064833369
Energy: 1.0602108840409918
Energy: 0.9779384925506415
Energy: 1.0133985165148274
Energy: 0.9974950361013806
Energy: 0.9824732537350571
Energy: 0.9991437203515617
Energy: 0.996884411211252
Energy: 1.0216318636274846
Energy: 0.968488967830801
Energy: 0.9846954147120776
Energy: 0.9855679894478044
Energy: 0.9702025512210345
Energy: 0.9079320320833614
Energy: 0.9865328849674805
Energy: 0.9922221579054279
Energy: 0.9740035900740583
Energy: 0.9742691869171832
Energy: 0.9933989400151074
Energy: 0.9946230562888835
Energy: 0.9695137718587732
Energy: 0.991682369574854
Energy: 0.9709182488155232
Energy: 0.9814099093902611
Energy: 0.9910066914369169
Energy: 0.9710777681948684
Energy: 0.9827471754259898
Energy: 0.9911370356453522
Energy: 0.9781326980778036
Energy: 0.9740654381526176
Energy: 0.9789483267518958
Energy: 0.9911637006942058
Energy: 0.9886433277065851
Energy: 0.9968075395638563
Energy: 0.9719288420845668
Energy: 0.9717941279836184
Energy: 0.9786033264539172
Energy: 0.9732430515744314
Energy: 0.9678112813112789
Energy: 0.9967311446245729
Energy: 0.9725790685713702
Energy: 0.9675107909583026
Energy: 0.9966682149271646
Energy: 0.9723378541409254
Energy: 0.9677626373411096
Energy: 0.9973633686663773
Energy: 0.997922125170643
Energy: 0.9890049127265323
Energy: 1.0002146255483224
Energy: 0.9977949348645403
Energy: 0.9825014893353788
Energy: 1.1389948212485674
Energy: 1.0542539221180158
Energy: 1.0549915764716302
Energy: 1.138650599329802
Energy: 0.976324773493311
Energy: 1.0556102219113048
Energy: 1.0158299167492406
Energy: 0.9983069779223749
Energy: 0.9830784537726809
Energy: 1.000648735536214
Energy: 0.9975718790152281
Energy: 1.0419371786569307
Energy: 0.9260715729280316
Energy: 0.9674114544181902
Energy: 0.9776874395229207
Energy: 0.9066207128964401
Energy: 1.235497221851744
Energy: 0.9781169532897398

minimum gb energy = 0.9064807064833369 eV
minimum distance =  2.28767697144039 Angstroms
sigma value = 17


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

Energy: 0.8721630048554694
Energy: 1.1906819885085482
Energy: 1.1587799709393887
Energy: 1.0221981049589333
Energy: 1.1649798191221699
Energy: 0.9049149028163803
Energy: 0.9231783606071979
Energy: 1.0306296569454216
Energy: 1.0309850699012342
Energy: 1.0476546564768483
Energy: 1.0329617510286746
Energy: 1.0072003445016284
Energy: 1.2570593891144413
Energy: 0.956903528909506
Energy: 0.9595169227294503
Energy: 1.1667082854458442
Energy: 0.9192825902016661
Energy: 0.9140824803905584
Energy: 1.0350882793014495
Energy: 0.9420479607994896
Energy: 0.9418392523584168
Energy: 1.0340633801050625
Energy: 0.8562431610219533
Energy: 1.0337176909699284
Energy: 0.9159377303689402
Energy: 0.9420256080969894
Energy: 0.9409590177538971
Energy: 1.0112330292289564
Energy: 0.9443955122226247
Energy: 0.9533501943723431
Energy: 0.9298437374035762
Energy: 0.9279237487584259
Energy: 0.9273814325425987
Energy: 0.9106214367419151
Energy: 0.8949463539635703
Energy: 0.9101995906201116
Energy: 0.9089006392538694
Energy: 0.8923066980743238
Energy: 0.8930151592205439
Energy: 0.9092152638415323
Energy: 0.8935390436896272
Energy: 0.9109172860566866
Energy: 1.0531501959144185
Energy: 0.9262920598978277
Energy: 0.9268488224108264
Energy: 0.9263392294019042
Energy: 0.9267158580905109
Energy: 0.9169492327121673
Energy: 0.8959166849090981
Energy: 0.9248870402579099
Energy: 0.9108902774053675
Energy: 0.8932270122956022
Energy: 0.9400352634369059
Energy: 0.8990247129282103
Energy: 0.8951967471965663
Energy: 0.9388122208830819
Energy: 0.9388253542963725
Energy: 0.8943245163352959
Energy: 0.9389869923095133
Energy: 0.9404271563395213
Energy: 1.1707743911071848
Energy: 0.9780655797935229
Energy: 0.9514489992310188
Energy: 0.9432340497142165
Energy: 0.9113445850379384
Energy: 0.9532489032269285
Energy: 0.8924079232860611
Energy: 1.035331019660796
Energy: 1.0319494525959236
Energy: 0.891728703530032
Energy: 1.033080259939676
Energy: 1.0337144284790292
Energy: 0.9410452125908747
Energy: 1.0324370490541503
Energy: 1.031298714206169
Energy: 0.9123928457677427
Energy: 1.0335467670688987
Energy: 1.049776570551924
Energy: 1.161559073267704
Energy: 1.0367698215438923
Energy: 1.037125350029212
Energy: 1.165841768801952
Energy: 1.0594082660809478
Energy: 1.0002822295253622
Energy: 1.165147082447123
Energy: 1.040616940474105
Energy: 1.0567048925248081
Energy: 1.2232358204607379
Energy: 1.0415892397605797
Energy: 1.036076512291173
Energy: 1.20120264469226
Energy: 1.0736879598239837
Energy: 0.9747084668020395
Energy: 1.1609242332586438
Energy: 1.0432034212075934
Energy: 1.0517482969839507
Energy: 0.8697096743562094
Energy: 1.0324644830387024
Energy: 1.1318545344526458
Energy: 0.8698627784799541
Energy: 1.0476455105503124
Energy: 1.1327852570482038

minimum gb energy = 0.8562431610219533 eV
minimum distance =  2.30607201258932 Angstroms
sigma value = 17


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

Energy: 1.710716845201737
Energy: 1.1340891997574032
Energy: 0.935812532620923
Energy: 0.8895686239759578
Energy: 1.1225718584477453
Energy: 0.8692305643755177
Energy: 1.1506924797564142
Energy: 0.9892682816693228
Energy: 0.8794979826106479
Energy: 1.023836913948607
Energy: 0.9888702157899262
Energy: 0.9390046091406095
Energy: 1.1580259092170786
Energy: 0.8708160036382002
Energy: 0.8709960531658781
Energy: 1.0491592927101319
Energy: 0.8715671354951441
Energy: 0.9005480032560589
Energy: 1.0186272743402651
Energy: 0.9000027321125784
Energy: 0.9020052588030183
Energy: 1.019588691234131
Energy: 0.8767895475367484
Energy: 0.9220372528471521
Energy: 1.0046142290478135
Energy: 0.8932034509504645
Energy: 0.8807812390516363
Energy: 1.0045343361045211
Energy: 0.9024131197883711
Energy: 0.8795847153702073
Energy: 0.7981953734300866
Energy: 0.8787657256331721
Energy: 0.8771964210645964
Energy: 0.8758922155964824
Energy: 0.8775464106696257
Energy: 0.8764252575845007
Energy: 1.0596473907944366
Energy: 0.8774245876216052
Energy: 0.8856552181892808
Energy: 0.9563512924765216
Energy: 0.8806393923294586
Energy: 0.8881025749746735
Energy: 1.0186057740632748
Energy: 0.8530919235163371
Energy: 0.8667797332761445
Energy: 0.8897851943455037
Energy: 0.8525866311795828
Energy: 0.8845993120066481
Energy: 0.8163447384826246
Energy: 0.8479288236961724
Energy: 0.816273834883173
Energy: 0.8181208437729324
Energy: 0.8311112984127887
Energy: 0.8162985190928735
Energy: 0.830047205325054
Energy: 0.8703436292229676
Energy: 0.8669857136272525
Energy: 0.8297995960986277
Energy: 0.8702291512751587
Energy: 0.8756482451345896
Energy: 0.9004004014013467
Energy: 0.8250758372793132
Energy: 0.8742070592572456
Energy: 0.8696165580281933
Energy: 0.8269297407000099
Energy: 0.8759534847207613
Energy: 0.8277420455963295
Energy: 0.8166899706110801
Energy: 0.8158067053978985
Energy: 0.8300005043028191
Energy: 0.8166735422669745
Energy: 0.8165632651995997
Energy: 0.8241914696123502
Energy: 0.8727935528298245
Energy: 0.8729889809697586
Energy: 0.8416062428756506
Energy: 0.8755222562310228
Energy: 0.86639271760524
Energy: 0.8769570579316103
Energy: 0.8867607930861507
Energy: 0.8889679046517962
Energy: 0.8777513326380111
Energy: 0.8909967964156712
Energy: 0.8851735653131239
Energy: 0.8775567005982919
Energy: 0.8767416864415521
Energy: 0.8714413841153309
Energy: 0.8773669910083047
Energy: 0.8882999225440495
Energy: 0.8793907942452913
Energy: 1.1273929608260762
Energy: 0.9258993903859746
Energy: 0.8818402853529504
Energy: 0.9024164393291819
Energy: 1.0055135845196335
Energy: 0.8798673730332989
Energy: 0.8134816541508233
Energy: 1.0072795174234765
Energy: 1.0071867226497686
Energy: 0.9490799245499201
Energy: 1.0070508310371706
Energy: 0.859552907038249
Energy: 0.9181348713066144
Energy: 1.0070003350672667
Energy: 0.9856708008740355
Energy: 1.031119570095186
Energy: 1.0483367981464493
Energy: 0.8847912077185612
Energy: 1.1075932414009113
Energy: 1.0042794138182438
Energy: 0.9576253429469759
Energy: 1.0020829264281463
Energy: 0.8790193499621767
Energy: 0.8815959756434181
Energy: 1.2005742101499517
Energy: 0.8760342617183366
Energy: 0.906276168943991
Energy: 1.2006286395118064
Energy: 0.8754495395262634
Energy: 0.9746966704211882
Energy: 1.1468568362716127
Energy: 1.0030753331165032
Energy: 0.9917398250997986
Energy: 0.9993630650998094
Energy: 1.0603321292978198
Energy: 0.9938768095471685
Energy: 0.8259564716521252
Energy: 1.0053292877719548
Energy: 1.084176515157988
Energy: 0.8247558258815818
Energy: 1.1633270016605861
Energy: 0.8912088847311365
Energy: 1.0608509459702986
Energy: 0.9958453886426064
Energy: 0.983165944641365
Energy: 1.0611622151784186
Energy: 1.03969076678748
Energy: 1.0930825651751102
Energy: 1.1525816384682381
Energy: 0.9064743212680956
Energy: 0.9037475777720074
Energy: 1.0496968901616364
Energy: 1.0664472820811983
Energy: 0.985729923996614
Energy: 1.0115025407595994
Energy: 0.8739609679627657
Energy: 0.8714711306037185
Energy: 1.0095229931492768
Energy: 0.8740345145351475
Energy: 0.8709523024852295
Energy: 0.9983393101308267
Energy: 0.9095935014897821
Energy: 0.9289791180893189
Energy: 1.005569723409283
Energy: 0.9196276596169948
Energy: 0.9659678133806471
Energy: 0.797767114207832
Energy: 0.9014532557401652
Energy: 0.9136655765238358
Energy: 0.8750127477786743
Energy: 0.9035573002963798
Energy: 0.8755583795243498
Energy: 0.9169599063050536
Energy: 0.8778313303921155
Energy: 0.8781473009441638
Energy: 0.9979391164900735
Energy: 0.8791700686883369
Energy: 0.8779480757556377
Energy: 1.1410341048699395
Energy: 0.8776825983731056
Energy: 0.88487176815371
Energy: 0.8535959957673185
Energy: 0.8958758309747054
Energy: 0.8820770039949322
Energy: 0.8148488293583559
Energy: 0.8523070986549347
Energy: 0.8657027841886746
Energy: 0.8190491108941149
Energy: 0.8527118699973338
Energy: 0.8519142151865379
Energy: 0.8172590814529502
Energy: 0.8671742786538282
Energy: 0.8663576307416339
Energy: 0.8166529822473112
Energy: 0.8618439610720249
Energy: 0.8154699585601473
Energy: 0.8847569018245924
Energy: 0.860911561407699
Energy: 0.8686934959969196
Energy: 0.8725363443864596
Energy: 0.8606079514413955
Energy: 0.8683019187195271
Energy: 0.9900986948136926
Energy: 0.8164556491014986
Energy: 0.8164414007094145
Energy: 0.9921036265816947
Energy: 0.8167719048526789
Energy: 0.8159047404190758
Energy: 0.815649433803724
Energy: 0.8897191710284401
Energy: 0.8902926481987966
Energy: 0.9183597871838967
Energy: 0.8692783222422051
Energy: 0.8920347792787702
Energy: 0.8839825784508806
Energy: 0.8745418824033889
Energy: 0.8750951058777569
Energy: 0.8836891139409656
Energy: 0.8755288505792561
Energy: 0.8757898295296136
Energy: 0.8789092120803582
Energy: 0.8633587777851202
Energy: 0.906437532551874
Energy: 0.8787897647633526
Energy: 0.863291785521913
Energy: 0.8775348051834453
Energy: 1.1274214482855447
Energy: 0.8786750525165241
Energy: 0.8780538787818098
Energy: 0.9054841633405721
Energy: 1.0053983215930657
Energy: 0.8791585003490064
Energy: 1.033814575776518
Energy: 1.0064840248291056
Energy: 1.0149734724155275
Energy: 0.8661955982735083
Energy: 1.008825886808511
Energy: 0.9064162040746045
Energy: 0.8211801967705404
Energy: 1.0147308201854546
Energy: 0.892281296032543
Energy: 0.8773317870962459
Energy: 1.0787200558169592
Energy: 0.8809413176842659
Energy: 1.1099840273393387
Energy: 0.9934730231829153
Energy: 0.9941871366587054
Energy: 1.0004048049336978
Energy: 1.0105015404597568
Energy: 0.922531846833114
Energy: 1.1222933128453885
Energy: 0.8734177862484727
Energy: 0.955972410604296
Energy: 1.1213360726339774
Energy: 0.8727136969270368
Energy: 0.9830698960895078
Energy: 1.1541923988082154
Energy: 0.9621011508419143
Energy: 0.8742560222313455
Energy: 1.0501356132696504
Energy: 1.0151580064685588
Energy: 0.9862162142102103
Energy: 1.0610906216159868
Energy: 0.9972754709923065
Energy: 0.9854455401653536
Energy: 1.0611086534938639
Energy: 1.0173488057913314
Energy: 0.9832606340731143

minimum gb energy = 0.797767114207832 eV
minimum distance =  2.30063928826652 Angstroms
sigma value = 57


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

Energy: 0.7839632070510311
Energy: 1.0307598815766879
Energy: 0.878326121999032
Energy: 0.8699389592943306
Energy: 1.0610475102557844
Energy: 0.8366113335811627
Energy: 1.094375464250998
Energy: 0.9557415827380901
Energy: 0.8488119531242495
Energy: 0.9817898588380998
Energy: 0.9512475606121498
Energy: 0.841187314264315
Energy: 1.0974844255029275
Energy: 0.8379992300300315
Energy: 0.8363910969457805
Energy: 1.014743319955433
Energy: 0.8405617129132895
Energy: 0.8679969551395055
Energy: 0.9793711540938624
Energy: 0.837860962326282
Energy: 0.9060765034193448
Energy: 0.9776905876602797
Energy: 0.9659838374498396
Energy: 0.899633860255479
Energy: 0.9419335010556776
Energy: 0.8728125666459375
Energy: 0.8488173798360914
Energy: 0.9136046362631041
Energy: 0.8759083201252187
Energy: 0.8404714846530152
Energy: 0.7627834112112246
Energy: 0.8575718061077429
Energy: 0.8398550302350991
Energy: 0.8114038389532663
Energy: 0.8581924312580804
Energy: 0.8395259915731513
Energy: 0.9939066755442517
Energy: 0.871742896731094
Energy: 0.8730594007799192
Energy: 0.8301877688856945
Energy: 0.8667954206994091
Energy: 0.8554025372336501
Energy: 1.0151340947410157
Energy: 0.8112854948746838
Energy: 0.8214588819876951
Energy: 0.85026890919651
Energy: 0.8100847811539593
Energy: 0.8344498004940928
Energy: 0.7912771072607303
Energy: 0.8155742742988686
Energy: 0.7878401460368816
Energy: 0.7923115925284726
Energy: 0.9349078347283528
Energy: 0.788253847461736
Energy: 0.7953351974512775
Energy: 0.8303939614856144
Energy: 0.8330578663580497
Energy: 0.7942460494097077
Energy: 0.8295325159061308
Energy: 0.8343442857860328
Energy: 0.7689401946917981
Energy: 0.7574545075735827
Energy: 0.8216341200920625
Energy: 0.8094033366135883
Energy: 0.7591395590581805
Energy: 0.825955763180743
Energy: 0.807818877084524
Energy: 0.7550684437933853
Energy: 0.7556360715444781
Energy: 0.8091600710278946
Energy: 0.7596209923505621
Energy: 0.7957524596131383
Energy: 0.8051958940905616
Energy: 0.889231523110269
Energy: 0.8899223782652916
Energy: 0.8060090822676438
Energy: 0.8160218465376032
Energy: 0.8118488794950482
Energy: 0.7558168032371723
Energy: 0.8110893789085489
Energy: 0.7541862571127694
Energy: 0.7577097922628457
Energy: 0.9346341928181515
Energy: 0.7546717313279317
Energy: 0.755232568843431
Energy: 0.8107292097470601
Energy: 0.8091331514076568
Energy: 0.7549467968730101
Energy: 0.8919870301358469
Energy: 0.8084886062756825
Energy: 0.8841355756866105
Energy: 0.7947478440139786
Energy: 0.8271045704708181
Energy: 0.8286801514167762
Energy: 0.7949990757631529
Energy: 0.8255844165336538
Energy: 0.8687743546229475
Energy: 0.7885720211924868
Energy: 0.7873375714041723
Energy: 0.8646559906250978
Energy: 0.7876297618021363
Energy: 0.7875088956697126
Energy: 0.8974136662533926
Energy: 0.833973617524317
Energy: 0.8365416480714798
Energy: 0.8965883978421499
Energy: 0.8338337633853287
Energy: 0.8263444877713796
Energy: 0.8552943478923076
Energy: 0.8606707341287806
Energy: 0.8642115352703122
Energy: 0.857594510074326
Energy: 0.8319497410312083
Energy: 0.8641364477835137
Energy: 1.0536858071019113
Energy: 0.8847218277860103
Energy: 0.8551550674953255
Energy: 0.9670732877858936
Energy: 0.8344754523634516
Energy: 0.8552338292553929
Energy: 1.073076478885125
Energy: 0.9707014005387233
Energy: 0.9917781365717132
Energy: 0.8742552202571361
Energy: 0.9790117269397186
Energy: 0.864171258365989
Energy: 0.8892737652023245
Energy: 0.9662453769553545
Energy: 0.8250442466416125
Energy: 0.8272930490986338
Energy: 0.9656845043922954
Energy: 0.8332969775995756
Energy: 0.9699749515288816
Energy: 0.9788241344304778
Energy: 0.9362665633438311
Energy: 0.9703848613906915
Energy: 1.0087863758871363
Energy: 0.9347703637272047
Energy: 1.0648326707646496
Energy: 0.8357397430886927
Energy: 0.8411500158475315
Energy: 0.9811814826723462
Energy: 0.864568325972568
Energy: 0.8487316241329872
Energy: 1.1010768611955402
Energy: 0.8399705078018206
Energy: 0.8493235765807495
Energy: 1.099004990874684
Energy: 0.8417991187525505
Energy: 0.9483840099364487
Energy: 1.0928435499675113
Energy: 0.9686924176188384
Energy: 0.9453997856693238
Energy: 0.9653475504507666
Energy: 0.9653327791530759
Energy: 0.8428773579574741
Energy: 0.8715790197470784
Energy: 0.9556598428897706
Energy: 0.8827387885446656
Energy: 0.8444226155161679
Energy: 1.0721618403625985
Energy: 0.8619733419372496

minimum gb energy = 0.7541862571127694 eV
minimum distance =  2.34651292073651 Angstroms
sigma value = 43


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

Energy: 0.8968299833631075
Energy: 0.8954798798272894
Energy: 0.7557030614045036
Energy: 0.7499418217252
Energy: 0.9344450080908834
Energy: 0.6635133348014628
Energy: 0.9326369824717592
Energy: 0.8194873085773362
Energy: 0.7361775682475155
Energy: 0.8463936748216186
Energy: 0.8637758370428522
Energy: 0.7267028114405195
Energy: 0.9454551074380133
Energy: 0.7191908642483036
Energy: 0.7339732476014557
Energy: 0.8505084793044186
Energy: 0.7203682895844613
Energy: 0.7377622264112645
Energy: 0.8557526418366057
Energy: 0.736464104871988
Energy: 0.7391481289378238
Energy: 0.8498356548828755
Energy: 0.7055746874094874
Energy: 0.7935754207270119
Energy: 0.8387613863605383
Energy: 0.7452881712843928
Energy: 0.728947405860389
Energy: 0.83792168831468
Energy: 0.7585944898689074
Energy: 0.7331723770947568
Energy: 0.8145732087297917
Energy: 0.7702463768600525
Energy: 0.7357360315572237
Energy: 0.7022690342235094
Energy: 0.768855464892223
Energy: 0.7303248260215939
Energy: 0.8831603199907601
Energy: 0.7873641880947061
Energy: 0.7875274846119529
Energy: 0.7355557201518037
Energy: 0.7883019927407089
Energy: 0.7708893079315535
Energy: 0.894744486537129
Energy: 0.6996058820345779
Energy: 0.7187208134643889
Energy: 0.7066255288039487
Energy: 0.6995085473987761
Energy: 0.7187480930413721
Energy: 0.7208439112003918
Energy: 0.7034074794658289
Energy: 0.717675798949603
Energy: 0.722403970763675
Energy: 0.8302979551137905
Energy: 0.717515949191011
Energy: 0.730649175232411
Energy: 0.7177715645637797
Energy: 0.7175867491331485
Energy: 0.7308337139714338
Energy: 0.7195967309324011
Energy: 0.7169948650018999
Energy: 0.7391699328123075
Energy: 0.6776688028984116
Energy: 0.7012036847576613
Energy: 0.6877185261069098
Energy: 0.6782422235894591
Energy: 0.6978444007244587
Energy: 0.8254363160727824
Energy: 0.6838005117541514
Energy: 0.684454865822686
Energy: 0.7755952677338068
Energy: 0.6766020892691066
Energy: 0.7155495848638748
Energy: 0.789636637750418
Energy: 0.6871369614985182
Energy: 0.729043520773589
Energy: 0.725588621846972
Energy: 0.6869609604931411
Energy: 0.7662791040767942
Energy: 0.6507443474699546
Energy: 0.7155807339482578
Energy: 0.6500197169577265
Energy: 0.6523292487847089
Energy: 0.813954810021403
Energy: 0.6507892246859956
Energy: 0.6570121508141451
Energy: 0.6891325889718035
Energy: 0.6889243989164865
Energy: 0.6575984023387905
Energy: 0.6875659873778133
Energy: 0.6890606595387719
Energy: 0.6396623579200016
Energy: 0.6385256564379277
Energy: 0.6368605143427464
Energy: 0.6872523516918739
Energy: 0.6375224195514393
Energy: 0.6895505038634087
Energy: 0.8089183378238531
Energy: 0.6370391233935236
Energy: 0.6368853592909096
Energy: 0.7629941372630128
Energy: 0.6376872126582951
Energy: 0.6895384191433784
Energy: 0.8123521347122338
Energy: 0.7456666262770546
Energy: 0.6913406049660326
Energy: 0.8091876331869503
Energy: 0.6891142403463738
Energy: 0.6914273915687518
Energy: 0.6370685046783437
Energy: 0.7606679612309338
Energy: 0.6366576326648532
Energy: 0.6384718742920061
Energy: 0.8083636255237852
Energy: 0.6386608414922724
Energy: 0.8157938806321259
Energy: 0.7485016467092093
Energy: 0.7265169669087113
Energy: 0.8177969004112572
Energy: 0.6869882594692304
Energy: 0.7026515993172406
Energy: 0.8182287907731908
Energy: 0.649696017471115
Energy: 0.6494001926481395
Energy: 0.699505886688404
Energy: 0.6497572080652388
Energy: 0.6984266600661152
Energy: 0.6394314782336118
Energy: 0.6505869807009652
Energy: 0.6501602371535911
Energy: 0.6940211667315241
Energy: 0.6512494409574844
Energy: 0.6933304586761145
Energy: 0.6902626185078896
Energy: 0.6954590826941668
Energy: 0.6957758993669523
Energy: 0.6905294499022318
Energy: 0.6961164080202579
Energy: 0.6963111544201454
Energy: 0.6769687938464101
Energy: 0.7142430604943331
Energy: 0.676929088746274
Energy: 0.678865029045699
Energy: 0.825438389036532
Energy: 0.6771834545107136
Energy: 0.8089497188381988
Energy: 0.6929913015170212
Energy: 0.7092998608687328
Energy: 0.7349741129477045
Energy: 0.693115114555509
Energy: 0.7855046577325386
Energy: 0.8447328202122084
Energy: 0.7239139587828824
Energy: 0.730510297385414
Energy: 0.7216687297949643
Energy: 0.7235352536722152
Energy: 0.7339849225358628
Energy: 0.811103400174966
Energy: 0.7188002342273434
Energy: 0.7186477953028
Energy: 0.6949987380691678
Energy: 0.7172598716789379
Energy: 0.7084913261852821
Energy: 0.7535418459702985
Energy: 0.7042782431405062
Energy: 0.7214159549993621
Energy: 0.7876338903943955
Energy: 0.7221043637092275
Energy: 0.7213930549479051
Energy: 0.7749781991959531
Energy: 0.7146493352388409
Energy: 0.7699883772752536
Energy: 0.7760728259771347
Energy: 0.8431728643832733
Energy: 0.7693366019937007
Energy: 0.9354724712901639
Energy: 0.7100912818789814
Energy: 0.7282596556417299
Energy: 0.7262590540379538
Energy: 0.7098570825454685
Energy: 0.7270928523222572
Energy: 0.9159267563848315
Energy: 0.7569778741089485
Energy: 0.7524304450157745
Energy: 0.7852669529845965
Energy: 0.8605338414475018
Energy: 0.7642252319208598
Energy: 0.7535738868651772
Energy: 0.8408760121589781
Energy: 0.7443259100212825
Energy: 0.7132933152078552
Energy: 0.8413228895126795
Energy: 0.6774255513040783
Energy: 0.8530015205207873
Energy: 0.8409902290573059
Energy: 0.8101088230677209
Energy: 0.76334804253105
Energy: 0.8520434411521334
Energy: 0.8061173083115024
Energy: 0.9178548899093403
Energy: 0.7264290681048227
Energy: 0.7294382284393714
Energy: 0.8522299382111688
Energy: 0.799794277521202
Energy: 0.8315265235126454
Energy: 0.9434694004433168
Energy: 0.7321128604651074
Energy: 0.7615057654956077
Energy: 0.9353518787549251
Energy: 0.7322698483516797
Energy: 0.7596120957220067
Energy: 0.9323635751268937
Energy: 0.8058017735162557
Energy: 0.8064623098709064
Energy: 0.8520367244381803
Energy: 0.8343401885298989
Energy: 0.8071947043009265

minimum gb energy = 0.6366576326648532 eV
minimum distance =  2.27249391296122 Angstroms
sigma value = 81


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

Energy: 0.05723775621774164
Energy: 0.11843212888327258
Energy: 0.057330913493565304
Energy: 0.05735590305624353
Energy: 0.10578075304988369
Energy: 0.05778280079479287
Energy: 0.11869343514936462
Energy: 0.07861409399227974
Energy: 0.10094154907842277
Energy: 0.15552874402659062
Energy: 0.1002808820049419
Energy: 0.10124522936264158
Energy: 0.1697133582729497
Energy: 0.05814603218664816
Energy: 0.05750775487043811
Energy: 0.15349522010566297
Energy: 0.057697010657674054
Energy: 0.11910528544482964
Energy: 0.100930024962348
Energy: 0.05753832258049073
Energy: 0.05760070185082259
Energy: 0.07936100822043236
Energy: 0.05784223220459478
Energy: 0.11971427183640854
Energy: 0.11898999846996823
Energy: 0.1620169994363113
Energy: 0.1600910811738267
Energy: 0.11982974508296014
Energy: 0.14432790705315948
Energy: 0.1625515853017734
Energy: 0.05876983899561826
Energy: 0.10163241686344954
Energy: 0.05746086047077196
Energy: 0.05741683447894494
Energy: 0.1001842560891226
Energy: 0.0575598979734053
Energy: 0.14887188240705015
Energy: 0.07879350419169717
Energy: 0.10043466394227674
Energy: 0.15587790225893408
Energy: 0.07974271827498738
Energy: 0.10151631544893659
Energy: 0.14918395959569186
Energy: 0.05777020389070046
Energy: 0.057439763735100784
Energy: 0.1504091704435146
Energy: 0.05762715535962308
Energy: 0.11935557650388298
Energy: 0.08293387451150527
Energy: 0.05780644997906056
Energy: 0.11868804468244985
Energy: 0.10091444022628425
Energy: 0.05771844040607281
Energy: 0.11868640299781108
Energy: 0.05749336350359939
Energy: 0.13584617981100994
Energy: 0.14128207193508743
Energy: 0.057364559183259646
Energy: 0.1393243960499761
Energy: 0.1388651345921302

minimum gb energy = 0.05723775621774164 eV
minimum distance =  2.47581240265805 Angstroms
sigma value = 3


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

Energy: 1.6126836985264488
Energy: 0.8086910451260809
Energy: 0.8016687203162496
Energy: 0.745061851950527
Energy: 0.793228425049729
Energy: 0.8690771506163316
Energy: 0.8247815357068995
Energy: 0.806315203181481
Energy: 0.8067820882033924
Energy: 0.7994074914699439
Energy: 0.8185369891286504
Energy: 0.8065534157917393
Energy: 0.8504968784564225
Energy: 0.7589945147919694
Energy: 0.7342796739949168
Energy: 0.8163581618645992
Energy: 0.7406518776466008
Energy: 0.7718376332917509
Energy: 0.770767135610297
Energy: 0.7402756700412821
Energy: 0.7352574175767422
Energy: 0.7712209980650521
Energy: 0.7354884797097989
Energy: 0.7717525931380358
Energy: 0.7456601267045011
Energy: 0.8095232059021684
Energy: 0.8095330950737895
Energy: 0.7455596917520599
Energy: 0.8141845714241778
Energy: 0.7957026312598574
Energy: 0.7331983846109378
Energy: 0.788374507362153
Energy: 0.7500432485005101
Energy: 0.707165148545613
Energy: 0.7916608578602612
Energy: 0.7046649247607935
Energy: 0.7729053333982059
Energy: 0.7941905498433627
Energy: 0.7600416653144305
Energy: 0.773570323875594
Energy: 0.7141561279109305
Energy: 0.7673114257247152
Energy: 0.7883032836555474
Energy: 0.7233996924762253
Energy: 0.7220451343572495
Energy: 0.7878130844214775
Energy: 0.6888045473205469
Energy: 0.7229744163571522
Energy: 0.7582068683765466
Energy: 0.718230807218215
Energy: 0.7698061274111621
Energy: 0.7512596169791713
Energy: 0.7378531933623643
Energy: 0.7611636340489489
Energy: 0.7551480720598683
Energy: 0.7138159090072048
Energy: 0.7201924379349851
Energy: 0.7556848266290882
Energy: 0.7155842924890657
Energy: 0.7196707984838637
Energy: 0.6884322791095836
Energy: 0.7241530511151253
Energy: 0.7315690580262452
Energy: 0.6993511903138364
Energy: 0.6984722172664487
Energy: 0.699174574356873
Energy: 0.670870611422153
Energy: 0.7351268423247023
Energy: 0.7329741900020565
Energy: 0.6712676336457063
Energy: 0.7024562740635822
Energy: 0.668171160827601
Energy: 0.693439214558825
Energy: 0.6754876651965224
Energy: 0.705154375171814
Energy: 0.6931607950430907
Energy: 0.6754627536628535
Energy: 0.7050798060688543
Energy: 0.6649816618030002
Energy: 0.7048004371394319
Energy: 0.7052278840629777
Energy: 0.7026468492631152
Energy: 0.6714837445294357
Energy: 0.7052695543495209
Energy: 0.6714573498192454
Energy: 0.6334443972420752
Energy: 0.62778356172083
Energy: 0.6713825331113927
Energy: 0.6336421108506308
Energy: 0.6378783186646768
Energy: 0.6656765301043589
Energy: 0.6857185188170861
Energy: 0.6866767001035089
Energy: 0.6824277218589089
Energy: 0.65376090553737
Energy: 0.686080028381434
Energy: 0.6327277047595556
Energy: 0.68711482667706
Energy: 0.6858704943072861
Energy: 0.6331884665680273
Energy: 0.67886714274112
Energy: 0.6185760241717803
Energy: 0.6110701143997581
Energy: 0.6756920876571388
Energy: 0.6760399899809377
Energy: 0.625117994124849
Energy: 0.676001608457553
Energy: 0.6763774084201779
Energy: 0.6545805087959127
Energy: 0.6533302184638027
Energy: 0.6771043202994896
Energy: 0.6754875659257676
Energy: 0.6575067155949824
Energy: 0.6764394294359274
Energy: 0.6562585816279609
Energy: 0.6209095941407018
Energy: 0.6207077881725658
Energy: 0.6574612340057705
Energy: 0.6197182184299058
Energy: 0.6214203407333764
Energy: 0.6585595917149871
Energy: 0.6826734742050341
Energy: 0.6863478404887744
Energy: 0.6535911102133997
Energy: 0.6738614805655497
Energy: 0.6856116058564761
Energy: 0.6336853243592071
Energy: 0.6828478869777597
Energy: 0.6863953196666344
Energy: 0.6339334670796858
Energy: 0.6740104572815516
Energy: 0.6337904217651693
Energy: 0.6424915089238667
Energy: 0.7004171577388132
Energy: 0.7074924472414279
Energy: 0.6425762605803288
Energy: 0.7010719770768779
Energy: 0.7052549801791557
Energy: 0.6775098471746385
Energy: 0.7077439201429544
Energy: 0.7490731672995389
Energy: 0.6882333647936938
Energy: 0.7077005667218059
Energy: 0.7293958487459488
Energy: 0.698463478367393
Energy: 0.6676025204807925
Energy: 0.6671051106449274
Energy: 0.6991604953126632
Energy: 0.6746764204983217
Energy: 0.6675258209062485
Energy: 0.7051905474436541
Energy: 0.7156539969861742
Energy: 0.7150400313571614
Energy: 0.7054505485795108
Energy: 0.6809512291891979
Energy: 0.7318112386791304
Energy: 0.7145665401114227
Energy: 0.7157316096037581
Energy: 0.7150672499725602
Energy: 0.7149136878701406
Energy: 0.7154156433816422
Energy: 0.7190870957427501
Energy: 0.6805823544969883
Energy: 0.8024412407913091
Energy: 0.8376439698865636
Energy: 0.679107577388187
Energy: 0.7207674012064741
Energy: 0.8001310769106484
Energy: 0.7066851030394148
Energy: 0.779529780177601
Energy: 0.7386103031823888
Energy: 0.6988644777961194
Energy: 0.8051018593624237
Energy: 0.6970366133452437
Energy: 0.7671722957763716
Energy: 0.7633961665201905
Energy: 0.7772996105035954
Energy: 0.7678354957259147
Energy: 0.763335476493009
Energy: 0.7663909472884194
Energy: 0.7554066552733195
Energy: 0.719091305054375
Energy: 0.726068326013031
Energy: 0.7556627207605606
Energy: 0.6924787988693335
Energy: 0.7184292674246809
Energy: 0.8993249365092286
Energy: 0.7189529377973463
Energy: 0.7713803914369
Energy: 0.8551097657410339
Energy: 0.7450219398313098
Energy: 0.7569110132011921
Energy: 0.7192986453979145
Energy: 0.7716911530274942
Energy: 0.7617559403499959
Energy: 0.7191263736435515
Energy: 0.772181841871636
Energy: 0.7701588652533913

minimum gb energy = 0.6110701143997581 eV
minimum distance =  2.27317260157768 Angstroms
sigma value = 67


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

Energy: 1.5037766009899542
Energy: 0.9160098222549546
Energy: 0.8547130924777205
Energy: 0.8342314261588297
Energy: 0.9264431643215639
Energy: 0.8543788427899611
Energy: 0.9150223215578902
Energy: 0.8970564232302409
Energy: 0.898748977487695
Energy: 0.9070258696583419
Energy: 0.9156166086136472
Energy: 0.893388248028438
Energy: 0.9181630752859907
Energy: 0.8201387410082617
Energy: 0.8520704993360734
Energy: 0.9150714548001074
Energy: 0.8870704784688009
Energy: 0.8538745903498657
Energy: 0.8585189406634282
Energy: 0.8674716388480765
Energy: 0.8579503908655116
Energy: 0.8581561582841963
Energy: 0.8169557581344745
Energy: 0.8534558941040493
Energy: 0.8485769842337102
Energy: 0.9055821793604116
Energy: 0.888157224510213
Energy: 0.851592391798473
Energy: 0.914160343596512
Energy: 0.868353234438795
Energy: 0.7975412112001485
Energy: 0.874303518589167
Energy: 0.8274379872220818
Energy: 0.8265854434570391
Energy: 0.87294651293355
Energy: 0.8252695600991065
Energy: 0.8467076518031847
Energy: 0.8309204203900968
Energy: 0.8240965312964805
Energy: 0.8571564368066018
Energy: 0.8265147327987615
Energy: 0.8502588483347937
Energy: 0.8467652363843666
Energy: 0.8103903070456209
Energy: 0.8104796134738392
Energy: 0.8444135897132065
Energy: 0.8098528348195032
Energy: 0.8347027589105501
Energy: 0.8170850012947565
Energy: 0.8282194306488191
Energy: 0.8302627512171535
Energy: 0.823153469235806
Energy: 0.7894538828574315
Energy: 0.8311520840841187
Energy: 0.8158228781561659
Energy: 0.7956454747803522
Energy: 0.7909214615822475
Energy: 0.8179006623241192
Energy: 0.7909450390263526
Energy: 0.8015500509503451
Energy: 0.8122518093758613
Energy: 0.7993894720546809
Energy: 0.8222454185537191
Energy: 0.8163762820357355
Energy: 0.76540040687946
Energy: 0.8158367182271021
Energy: 0.7874961505723713
Energy: 0.8162798113553641
Energy: 0.8185352724939693
Energy: 0.7814729358587732
Energy: 0.7822319933019264
Energy: 0.7775780868125909
Energy: 0.7788421760126608
Energy: 0.8067122263387471
Energy: 0.8094480903507044
Energy: 0.7782575845274308
Energy: 0.8004095997575928
Energy: 0.7973335296726867
Energy: 0.7631304096497499
Energy: 0.7984490531757332
Energy: 0.8119452368710923
Energy: 0.7818868251736387
Energy: 0.7676233804292661
Energy: 0.812062026250752
Energy: 0.7629272075487689
Energy: 0.7858751853107477
Energy: 0.7816719966193748
Energy: 0.7653470793709014
Energy: 0.7840202225122854
Energy: 0.7703472977343379
Energy: 0.7683323141730892
Energy: 0.8163896443562901
Energy: 0.8226167557570755
Energy: 0.7680870137212494
Energy: 0.8194439979898698
Energy: 0.818061009077211
Energy: 0.7936997775786692
Energy: 0.8021898142152146
Energy: 0.8098478297698777
Energy: 0.795057212394283
Energy: 0.8020956115860701
Energy: 0.8016923553614861
Energy: 0.7971499696629474
Energy: 0.8341743135630494
Energy: 0.8329630252504178
Energy: 0.7917782260437054
Energy: 0.8335447599602527
Energy: 0.8096272114035731
Energy: 0.7703287749599862
Energy: 0.8142136403120839
Energy: 0.8011865183745759
Energy: 0.7719063956962317
Energy: 0.8109250888749686
Energy: 0.8183332789596961
Energy: 0.8272664160722407
Energy: 0.8468349345294973
Energy: 0.8213157739989132
Energy: 0.8258251111569923
Energy: 0.8560907103663284
Energy: 0.8296918290864499
Energy: 0.8202647639222445
Energy: 0.83479794296175
Energy: 0.8370353162318203
Energy: 0.8207801015702558
Energy: 0.8253653754000808
Energy: 0.8376220341188728
Energy: 0.9177371706170482
Energy: 0.8127665189336295
Energy: 0.8372491036021026
Energy: 0.9132652594477916
Energy: 0.817311756038967
Energy: 0.8378750818425261
Energy: 0.8836350975697552
Energy: 0.8509310393907797
Energy: 0.8185668646770647
Energy: 0.8838619292835072
Energy: 0.8466687813539253
Energy: 0.8204520603386463

minimum gb energy = 0.7629272075487689 eV
minimum distance =  2.2786556034432 Angstroms
sigma value = 33


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

Energy: 1.0043865579659692
Energy: 1.0306163820332404
Energy: 1.030753530357677
Energy: 1.0508499726344158
Energy: 0.9820055316383898
Energy: 0.9006487332975289
Energy: 0.9724723590975235
Energy: 0.9534595035889502
Energy: 0.9191515431469962
Energy: 0.9564583995345775
Energy: 0.9533699017389407
Energy: 0.9377428146269726
Energy: 1.0275162041806174
Energy: 0.907750374824589
Energy: 0.9064065028300964
Energy: 0.9550460989742192
Energy: 0.913237457033286
Energy: 0.9079320091374735
Energy: 0.9339128666908553
Energy: 0.9071104806732595
Energy: 0.9074272387888229
Energy: 0.9342667385852356
Energy: 0.9299481520823202
Energy: 0.9076776587730728
Energy: 0.9166277463928567
Energy: 0.9464792247196427
Energy: 0.9183366308702969
Energy: 0.9167663126544525
Energy: 0.981212053765892
Energy: 0.9366082455432216
Energy: 0.9052540922815104
Energy: 0.9621405759000285
Energy: 0.958197543688862
Energy: 0.9053730446905417
Energy: 0.9342605163162147
Energy: 0.8858749150729501
Energy: 0.9156409720951655
Energy: 0.9373120969243803
Energy: 0.9372178904992469
Energy: 0.9155482786233557
Energy: 0.9198769433553606
Energy: 0.8797426779198119
Energy: 0.939279711868948
Energy: 0.9410484685265438
Energy: 0.9167808931319567
Energy: 0.9365012726758591
Energy: 0.9275231964141893
Energy: 0.8796056786821632
Energy: 0.8651614402226462
Energy: 0.9130514374196053
Energy: 0.8919408045163154
Energy: 0.8907706634039015
Energy: 0.8914185498440715
Energy: 0.8921136436664828
Energy: 0.863608255093792
Energy: 0.8761269625604672
Energy: 0.8767769592679043
Energy: 0.865386033617861
Energy: 0.8878320406435737
Energy: 0.8931849839177174
Energy: 0.8654219605998298
Energy: 0.9042980599409179
Energy: 0.9018903749807902
Energy: 0.9094121795986877
Energy: 0.886105855434057
Energy: 0.9030675429476446
Energy: 0.8843017499106698
Energy: 0.8909934521865457
Energy: 0.9014906068699754
Energy: 0.8833441436302818
Energy: 0.8980573083981797
Energy: 0.8780751694658048
Energy: 0.8794272480035631
Energy: 0.9071586224520422
Energy: 0.9086148183265332
Energy: 0.87952924631356
Energy: 0.8939137518714808
Energy: 0.8788770339814077
Energy: 0.8741540527068808
Energy: 0.8915458094569012
Energy: 0.9060805523707804
Energy: 0.9115049633215044
Energy: 0.8658798855675158
Energy: 0.8921347412855888
Energy: 0.8730910846322868
Energy: 0.8941263330286732
Energy: 0.8803895435388807
Energy: 0.8747848611039384
Energy: 0.9226614568952078
Energy: 0.8802624390705655
Energy: 0.9042255574457535
Energy: 0.8737101326357545
Energy: 0.8734361766217963
Energy: 0.9039438799644218
Energy: 0.9256163556872303
Energy: 0.8880223325079675
Energy: 1.0485432205094807
Energy: 0.8745287048889245
Energy: 0.8752346952640523
Energy: 0.9515809860995458
Energy: 0.8739928909423225
Energy: 0.8753663478303237
Energy: 0.9935751170729048
Energy: 0.9577902707786013
Energy: 0.9406414488711866
Energy: 0.9572839673354293
Energy: 0.9557054253058124
Energy: 0.9520583184476545
Energy: 0.9292541182002816
Energy: 0.9563014654786378
Energy: 0.9518181753561904
Energy: 0.8683835799873737
Energy: 0.9790000123231655
Energy: 0.8660674454264414
Energy: 0.9455823927000611
Energy: 0.9523757983547918
Energy: 0.9190168679261804
Energy: 0.9443666152958828
Energy: 0.9520061420347977
Energy: 0.9368296424092378
Energy: 1.0220205315971396
Energy: 0.9055654765907505
Energy: 0.9080950767837414
Energy: 0.9541386576826761
Energy: 0.9305257374802319
Energy: 0.9071000614608736
Energy: 0.9662861243396558
Energy: 0.9074120831353283
Energy: 0.9068105501773748
Energy: 0.9699850890714601
Energy: 0.9129848982637346
Energy: 0.9085628962887327
Energy: 0.9152429038464979
Energy: 0.9376695183755872
Energy: 0.9188985319705691
Energy: 0.9153721569088851
Energy: 0.9539928379588127
Energy: 0.9363415884293863
Energy: 0.9048613705864662
Energy: 0.9325511824316852
Energy: 0.9589120211306288
Energy: 0.9095706510704361
Energy: 0.9341650159968208
Energy: 0.8861941622127643
Energy: 0.914660568931647
Energy: 0.9426789992494274
Energy: 0.9396686970953597
Energy: 0.9137392854054188
Energy: 0.9412772729336382
Energy: 0.8808155866804727
Energy: 0.9355574841254231
Energy: 0.9147757109787834
Energy: 0.9082663981972294
Energy: 0.9395048694425026
Energy: 0.9359162689950595
Energy: 0.879302943016935
Energy: 0.8642376855781206
Energy: 0.9133895240914318
Energy: 0.91244629315336
Energy: 0.8662490319839427
Energy: 0.9342415740906308
Energy: 0.8916574768023408
Energy: 0.8634192502862983
Energy: 0.8758577174579382
Energy: 0.8766293329853678
Energy: 0.8653958456832683
Energy: 0.8851115503437255
Energy: 0.8915676177989433
Energy: 0.8646737571067898
Energy: 0.9149683785483544
Energy: 0.902005615252048
Energy: 0.8795318091665478
Energy: 0.8857987634743436
Energy: 0.9011198076115685
Energy: 0.8841063842427798
Energy: 0.9023226893785028
Energy: 0.9016530325619266
Energy: 0.8842902344367628
Energy: 0.9025332446541201
Energy: 0.9162505329789968
Energy: 0.8766910927319428
Energy: 0.912487460856467
Energy: 0.9090471470157966
Energy: 0.8772109496813408
Energy: 0.8922766154201651
Energy: 0.876652184825439
Energy: 0.8729246303425252
Energy: 0.9168482996918172
Energy: 0.90571519007512
Energy: 0.8925441623665772
Energy: 0.8654790783466079
Energy: 0.8925428623609089
Energy: 0.8749241492386229
Energy: 0.9037418539743617
Energy: 0.88026313288561
Energy: 0.8760092832973386
Energy: 0.9228501424842601
Energy: 0.9077791528165959
Energy: 0.9035975455981038
Energy: 0.8730452652990054
Energy: 0.8883192599499948
Energy: 0.887114837728109
Energy: 0.9171472590144504
Energy: 0.8900664675747448
Energy: 1.0466708561697915
Energy: 0.8758259443135571
Energy: 0.8738754396811798
Energy: 0.9674087239090717
Energy: 0.8895578033611642
Energy: 0.8747382342311334
Energy: 0.9938540182105063
Energy: 0.9574624319822242
Energy: 0.9402611266792492
Energy: 0.9706630015887967
Energy: 0.9715344052824854
Energy: 0.9481389262082031
Energy: 0.9274692606246819
Energy: 0.9689533784174034
Energy: 0.9530950989051911
Energy: 0.8697319658329227
Energy: 0.9691602331491229
Energy: 0.8657881278990581

minimum gb energy = 0.8634192502862983 eV
minimum distance =  2.33020543576962 Angstroms
sigma value = 41


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

Energy: 1.1317418833235653
Energy: 1.1437406803370045
Energy: 1.146298991045775
Energy: 1.0602609015700013
Energy: 1.0504757625855041
Energy: 1.1414335132495022
Energy: 1.0681370081203254
Energy: 1.0749350193718064
Energy: 1.059079597835328
Energy: 1.0826564478639107
Energy: 1.0747846417646834
Energy: 1.0588548365368082
Energy: 1.1702163416311415
Energy: 1.0405284603267824
Energy: 1.0391399319786416
Energy: 1.073021424680935
Energy: 1.0403045000554436
Energy: 1.0456016522772316
Energy: 1.0753695398135281
Energy: 1.0422963365387987
Energy: 1.0414729225640469
Energy: 1.0742978350445072
Energy: 1.040329007933224
Energy: 1.0423873065928526
Energy: 1.0345528625204257
Energy: 1.0752798651221598
Energy: 1.0593655628147454
Energy: 1.0348030989460488
Energy: 1.0749073814013124
Energy: 1.0577731223951625
Energy: 1.0249377985484724
Energy: 1.0395603445579864
Energy: 1.0584234490324769
Energy: 1.023244912873188
Energy: 1.0404194687293091
Energy: 1.058480302211233
Energy: 1.035404695490299
Energy: 1.0654381548534821
Energy: 1.0196335821894549
Energy: 1.036551636647256
Energy: 1.0650988823870502
Energy: 1.0137041235134885
Energy: 1.0357160870920397
Energy: 1.0195550063140182
Energy: 1.0194090626497536
Energy: 1.0363201085421383
Energy: 1.0200466202689409
Energy: 1.0181041493076364
Energy: 0.9914806482196793
Energy: 1.049970204680233
Energy: 1.0444122298701382
Energy: 0.99288804823211
Energy: 1.0425385988996312
Energy: 1.0430055432065184
Energy: 1.0395908101698839
Energy: 1.0386460777339994
Energy: 1.0180692990363138
Energy: 1.0417106527191398
Energy: 1.0371236808291673
Energy: 1.0195855459432235
Energy: 1.0464947262403372
Energy: 1.0882447227202159
Energy: 1.0591889722676453
Energy: 1.048747448546663
Energy: 1.0929037403326507
Energy: 1.057945435960986
Energy: 1.196168735794084
Energy: 1.0337656432832405
Energy: 1.03169797140021
Energy: 1.0755109508040475
Energy: 1.0637031474915262
Energy: 1.0309758424329858
Energy: 1.158196207409072
Energy: 1.08246979543776
Energy: 1.0860929495450904
Energy: 1.076280027453334
Energy: 1.081692914677412
Energy: 1.0601353949380725
Energy: 1.042983309185105
Energy: 1.0721169199731175
Energy: 1.0617155151143043
Energy: 1.029526297012511
Energy: 1.0730126244913918
Energy: 1.0692164662288797

minimum gb energy = 0.9914806482196793 eV
minimum distance =  2.31929474186492 Angstroms
sigma value = 11


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

Energy: 1.1610387930668458
Energy: 1.1803865653902916
Energy: 1.2476490446275283
Energy: 1.1771926518726255
Energy: 1.2942025184813124
Energy: 1.270175644799324
Energy: 1.3570658687859707
Energy: 1.1838086108560464
Energy: 1.1524973806630734
Energy: 1.155642644003954
Energy: 1.1516138623011698
Energy: 1.1520565288357685
Energy: 1.3862249081101643
Energy: 1.1461587435905067
Energy: 1.1597205676252544
Energy: 1.2159761516266823
Energy: 1.1570329930960865
Energy: 1.1715595087418593
Energy: 1.1663803516941487
Energy: 1.1484778193427116
Energy: 1.1797564884857252
Energy: 1.165874429479835
Energy: 1.156692791754875
Energy: 1.1936902707734003
Energy: 1.190349009513595
Energy: 1.1848390887331155
Energy: 1.1681111406764546
Energy: 1.1642178580994653
Energy: 1.184780452841544
Energy: 1.1714365011024468
Energy: 1.1683160917634545
Energy: 1.2186707368297829
Energy: 1.1645257895225496
Energy: 1.1821376950558857
Energy: 1.2261278167989924
Energy: 1.1564500486573264
Energy: 1.2158382760989173
Energy: 1.1670407953914905
Energy: 1.1638448076737848
Energy: 1.2165917549996972
Energy: 1.1775751936905834
Energy: 1.2024392764574012
Energy: 1.2214326618926519
Energy: 1.16982615690489
Energy: 1.1640012148638552
Energy: 1.184724718247657
Energy: 1.182397330064598
Energy: 1.1671777747794623
Energy: 1.118019836258193
Energy: 1.1646049998400738
Energy: 1.1675322958453702
Energy: 1.1352186554905994
Energy: 1.16258863095624
Energy: 1.154095072913568
Energy: 1.1180294291033808
Energy: 1.1647182914246053
Energy: 1.166921212704218
Energy: 1.1655344154972909
Energy: 1.2154607204930903
Energy: 1.1542390422412931
Energy: 1.2104654746852215
Energy: 1.1370057288998592
Energy: 1.1980074132145708
Energy: 1.1708442656657136
Energy: 1.1408661466059504
Energy: 1.152340333046246
Energy: 1.1528443321110287
Energy: 1.1805390099507524
Energy: 1.1655124479859864
Energy: 1.1529074732375935
Energy: 1.1429466231199772
Energy: 1.1615242636433876
Energy: 1.1503195462076505
Energy: 1.1648493926403585
Energy: 1.1656627350429436
Energy: 1.150292216081888
Energy: 1.165505678969801
Energy: 1.241986706737731
Energy: 1.1539363479930635
Energy: 1.2165056284099844
Energy: 1.165179908571787
Energy: 1.1645567560336654
Energy: 1.2797987688632446
Energy: 1.1785979013298837
Energy: 1.1852588746922803
Energy: 1.1763042239539205
Energy: 1.1783542016913284
Energy: 1.1790254905600246
Energy: 1.1762682867436822
Energy: 1.1806738223994686
Energy: 1.2006475113238446
Energy: 1.158338394834652
Energy: 1.1529209547411363
Energy: 1.2027318541472662
Energy: 1.1610677724773817
Energy: 1.1718115727060616
Energy: 1.1924197144246236
Energy: 1.183161227791413
Energy: 1.1514648049097622
Energy: 1.1922196056700778
Energy: 1.184932908515812
Energy: 1.1661032616298985
Energy: 1.1470315559676796
Energy: 1.2262308298658142
Energy: 1.2250448316002152
Energy: 1.1785002915479452
Energy: 1.2464113963876018
Energy: 1.1676942655144071
Energy: 1.1741530082710827
Energy: 1.1568382309172582
Energy: 1.1585312745636405
Energy: 1.1738134968856415
Energy: 1.1563632503044836
Energy: 1.1694488093738622
Energy: 1.1571726608284296
Energy: 1.1541250866140416
Energy: 1.154021575754599
Energy: 1.1568593476581566
Energy: 1.1612889608076324
Energy: 1.1493244611483104
Energy: 1.276125985659223
Energy: 1.1532411385858814
Energy: 1.1511290599302262
Energy: 1.1579192041255797
Energy: 1.165845618668405
Energy: 1.1574913754777632
Energy: 1.170201824298447
Energy: 1.1565909207491687
Energy: 1.156758830372588
Energy: 1.1327361648565744
Energy: 1.1579181111275512
Energy: 1.157828864746697
Energy: 1.2046435183312956
Energy: 1.1553920634071642
Energy: 1.1594216743759094
Energy: 1.1459254632755367
Energy: 1.1556438229348922
Energy: 1.1614043079750427
Energy: 1.2775655675380668
Energy: 1.1504954022849747
Energy: 1.1601159363751774
Energy: 1.1568249182636694
Energy: 1.150732174753615
Energy: 1.1565089639011201
Energy: 1.2802075490625806
Energy: 1.1904279620521172
Energy: 1.169342686569842
Energy: 1.266414640501907
Energy: 1.1616030418080174
Energy: 1.1573551643963165
Energy: 1.1757439659281137
Energy: 1.161832296600595
Energy: 1.1526233964216108
Energy: 1.1737527302673165
Energy: 1.1935366120707769
Energy: 1.1523530207485015
Energy: 1.1676473557431446
Energy: 1.2012707046390234
Energy: 1.1608469966381212
Energy: 1.1687222130008768
Energy: 1.202141688145871
Energy: 1.159314033146872
Energy: 1.18001155844049
Energy: 1.1788015304906985
Energy: 1.1643352888162781
Energy: 1.177200744809395
Energy: 1.1914483098722923
Energy: 1.1807930128576083
Energy: 1.2959010241574955
Energy: 1.1601127263103488
Energy: 1.1670688499935418
Energy: 1.3248773251363661
Energy: 1.1709400613849696
Energy: 1.1487914043727478
Energy: 1.3801212242118166
Energy: 1.1524696175971867
Energy: 1.1530876654740938
Energy: 1.1721768920731577
Energy: 1.1503811504178822
Energy: 1.1816624278507672
Energy: 1.2119977067644279
Energy: 1.1735587400835106
Energy: 1.140303986256194
Energy: 1.1850552060780195
Energy: 1.1723887637555637
Energy: 1.1562888614161955

minimum gb energy = 1.118019836258193 eV
minimum distance =  2.27089357737938 Angstroms
sigma value = 57


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

Energy: 1.7939457107263574
Energy: 1.192205818879661
Energy: 1.1932459839364753
Energy: 1.1896327527933777
Energy: 1.1627838511870148
Energy: 1.1941004971004219
Energy: 1.2664608837383102
Energy: 1.1615530763046955
Energy: 1.1631341977483816
Energy: 1.1665272510098932
Energy: 1.1641574004092947
Energy: 1.1636773591229708
Energy: 1.3514182581068117
Energy: 1.1551653792806666
Energy: 1.1537987267930598
Energy: 1.349709173758857
Energy: 1.1505105520341228
Energy: 1.1629854780711664
Energy: 1.1619573645966101
Energy: 1.161553206273091
Energy: 1.2137179266249178
Energy: 1.1626314188728661
Energy: 1.1530590290959304
Energy: 1.1656291666459015
Energy: 1.2607000370330899
Energy: 1.1620615507372
Energy: 1.1644282119391094
Energy: 1.1964911369447406
Energy: 1.1638383141800597
Energy: 1.1629726464326045
Energy: 1.1617275869274057
Energy: 1.1947455507884466
Energy: 1.1954259789694237
Energy: 1.164470814767788
Energy: 1.1971158555992532
Energy: 1.1694625745687224
Energy: 1.3015824118373769
Energy: 1.1222862295408091
Energy: 1.1961714143883
Energy: 1.3033684707691373
Energy: 1.121731452384473
Energy: 1.1974711159614462
Energy: 1.3209728918901633
Energy: 1.1688007455550184
Energy: 1.2142893346089896
Energy: 1.163974832630866
Energy: 1.1948963327367879
Energy: 1.1637820638381506
Energy: 1.2931622959215492
Energy: 1.1622346306185698
Energy: 1.126055965877394
Energy: 1.122525471441994
Energy: 1.1626176117179945
Energy: 1.1242067063335013
Energy: 1.2940022963920446
Energy: 1.1632553685363358
Energy: 1.1243621374143755
Energy: 1.1227309470468392
Energy: 1.1617953367693008
Energy: 1.1225526228006928
Energy: 1.33382217732129
Energy: 1.1642532710968128
Energy: 1.1706126138907238
Energy: 1.1632508503933872
Energy: 1.1648849044237513
Energy: 1.1639788091450174
Energy: 1.1634124576465357
Energy: 1.1540678557176134
Energy: 1.1513745237240387
Energy: 1.167460357734483
Energy: 1.1508051888749813
Energy: 1.1675217969873153
Energy: 1.162050813411992
Energy: 1.1633581488328693
Energy: 1.163089696556189
Energy: 1.1635542283387286
Energy: 1.1632556346701308
Energy: 1.163136448672796
Energy: 1.1612342317446631
Energy: 1.1675668607756755
Energy: 1.1680391879903875
Energy: 1.16351653001959
Energy: 1.348466110026839
Energy: 1.1673696303531003
Energy: 1.2597183814353008
Energy: 1.122386700670228
Energy: 1.1626866015578743
Energy: 1.1946297980031284
Energy: 1.12661817330099
Energy: 1.1864912568215442
Energy: 1.3451249033140025
Energy: 1.1215718594722732
Energy: 1.122557522448292
Energy: 1.3465548640851055
Energy: 1.1252191015425863
Energy: 1.1697969679926328
Energy: 1.2657182181194857
Energy: 1.1623577658734827
Energy: 1.1624501644002683
Energy: 1.2670773753880156
Energy: 1.1653837195831231
Energy: 1.1632446475551574

minimum gb energy = 1.1215718594722732 eV
minimum distance =  2.24956757976971 Angstroms
sigma value = 9


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

Energy: 1.4454447046357422
Energy: 1.2751682578176002
Energy: 1.3104058312188678
Energy: 1.321778705086273
Energy: 1.8438222365416406
Energy: 1.2585759223246331
Energy: 1.302773216101079
Energy: 1.2542961876200285
Energy: 1.2577104055994368
Energy: 1.224488100853771
Energy: 1.2589613741961025
Energy: 1.263762231754272
Energy: 1.3091971252360326
Energy: 1.2143588315282339
Energy: 1.287628923259913
Energy: 1.3079701402705546
Energy: 1.239438464430042
Energy: 1.3273728264701086
Energy: 1.2590279222970382
Energy: 1.2780795753411758
Energy: 1.2780367705287081
Energy: 1.2479679498813436
Energy: 1.2495962986299116
Energy: 1.2943200921722466
Energy: 1.2205421554101537
Energy: 1.2503704954252983
Energy: 1.2352949907901347
Energy: 1.2209760721305865
Energy: 1.2809771425260867
Energy: 1.2336732680435836
Energy: 1.2414570733227162
Energy: 1.239058539491608
Energy: 1.2605380419686478
Energy: 1.2430573102256677
Energy: 1.2141598827719313
Energy: 1.2688180273299043
Energy: 1.2483665443777165
Energy: 1.2222722669358141
Energy: 1.3059057883169318
Energy: 1.2436471834182516
Energy: 1.193385631265369
Energy: 1.277350276520971
Energy: 1.3249660302429256
Energy: 1.2858560524055858
Energy: 1.2747063424107405
Energy: 1.2775324481548171
Energy: 1.2826942903940517
Energy: 1.275701903708981
Energy: 1.27811230434045
Energy: 1.2465810547041798
Energy: 1.2494678233818775
Energy: 1.2453359462726168
Energy: 1.29910765360795
Energy: 1.279033027586302
Energy: 1.279466720437852
Energy: 1.2493514183421295
Energy: 1.244519182142563
Energy: 1.244441281232001
Energy: 1.2503388656963172
Energy: 1.2650775249236819
Energy: 1.2931620541921893
Energy: 1.2523716092196122
Energy: 1.2546458555367528
Energy: 1.2729765720100066
Energy: 1.2317567519109893
Energy: 1.235011515278902
Energy: 1.284864663772317
Energy: 1.2673971130813804
Energy: 1.2926210358740637
Energy: 1.256356858432455
Energy: 1.2248766786661678
Energy: 1.2247118377809643
Energy: 1.1984870070009523
Energy: 1.2381784381463767
Energy: 1.2654659828846226
Energy: 1.2403233524744748
Energy: 1.2563813136312174
Energy: 1.2563336175298776
Energy: 1.1998104347382181
Energy: 1.296486444731495
Energy: 1.2712245378801832
Energy: 1.199667846330866
Energy: 1.3147739814635993
Energy: 1.24794188758079
Energy: 1.28606058981542
Energy: 1.2656462182779602
Energy: 1.2705997556291515
Energy: 1.2869366307794567
Energy: 1.2533061534533418
Energy: 1.2532375934375
Energy: 1.2567586344036494
Energy: 1.243223880298641
Energy: 1.2269794753604506
Energy: 1.2545148800535237
Energy: 1.2174666467836648
Energy: 1.2696913300423658
Energy: 1.2490507285583234
Energy: 1.278615767141723
Energy: 1.278938487383049
Energy: 1.250386517751434
Energy: 1.3000612262725633
Energy: 1.2782280042908005
Energy: 1.2283107228436156
Energy: 1.2989030047905408
Energy: 1.2982050876988718
Energy: 1.2247259421816552
Energy: 1.2552775915573626
Energy: 1.3138489222438774
Energy: 1.2626786113993165
Energy: 1.2232808139619906
Energy: 1.274200309412902
Energy: 1.264251122024481
Energy: 1.2408262995315469
Energy: 1.2667558249390898
Energy: 1.2654660486494091
Energy: 1.2363125487340683
Energy: 1.2538021053029
Energy: 1.3275164779211972
Energy: 1.2238621198458386
Energy: 1.2667507789102874
Energy: 1.360296642955751
Energy: 1.2545929151646278
Energy: 1.257469922487521
Energy: 1.2542237738537738
Energy: 1.2558823474742666
Energy: 1.258216409990685

minimum gb energy = 1.193385631265369 eV
minimum distance =  2.2684093634379 Angstroms
sigma value = 27


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

Energy: 1.992923241933355
Energy: 1.2978595078221316
Energy: 1.2693992394637081
Energy: 1.2902404813097303
Energy: 1.9696112439879998
Energy: 1.3168448569672409
Energy: 1.3790588744413093
Energy: 1.2489354568903588
Energy: 1.2458181069757015
Energy: 1.2312121971771925
Energy: 1.2419885957571852
Energy: 1.244824202906718
Energy: 1.2287451789458839
Energy: 1.2227601346784494
Energy: 1.2589279603311556
Energy: 1.1974872425774388
Energy: 1.1816944780375092
Energy: 1.3180610802084496
Energy: 1.3361485999895335
Energy: 1.239281292164374
Energy: 1.2321491967417424
Energy: 1.2925233453788665
Energy: 1.2400323889061236
Energy: 1.270895453778851
Energy: 1.1867118073287575
Energy: 1.2280610488658419
Energy: 1.2377424316663774
Energy: 1.1884881435245438
Energy: 1.254221788850776
Energy: 1.2413702337621813
Energy: 1.2388349486832526
Energy: 1.2687579567954606
Energy: 1.2751735992752895
Energy: 1.240804881411687
Energy: 1.2644829887314042
Energy: 1.2772310276732308
Energy: 1.3239876228334786
Energy: 1.2777267848885068
Energy: 1.2403993208397166
Energy: 1.3002209450078257
Energy: 1.2377170258813925
Energy: 1.22528293920893
Energy: 1.3198985040526146
Energy: 1.2222516404771664
Energy: 1.2674219105149378
Energy: 1.3199633882060267
Energy: 1.197219894245697
Energy: 1.2655097058423674
Energy: 1.5040075688094896
Energy: 1.238361628276121
Energy: 1.2416874947315224
Energy: 1.2778575044017368
Energy: 1.1926679888946996
Energy: 1.2661490446538621
Energy: 1.4503934575463484
Energy: 1.227377063538327
Energy: 1.2372823765407477
Energy: 1.2406000641442803
Energy: 1.227900033531091
Energy: 1.2828977009845637
Energy: 1.3362860674893886
Energy: 1.2412012953329246
Energy: 1.2822030765340027
Energy: 1.3365445032681686
Energy: 1.2260762812274069
Energy: 1.2799755128247332
Energy: 1.2854119470458936
Energy: 1.277256393348745
Energy: 1.2731096256295684
Energy: 1.2883321535329502
Energy: 1.2153265749951163
Energy: 1.2641547683991767
Energy: 1.3126957895187141
Energy: 1.255134032778788
Energy: 1.2664905538743119
Energy: 1.2258761255727808
Energy: 1.3295980045307332
Energy: 1.2707912932324914
Energy: 1.324793467955152
Energy: 1.2857021543362783
Energy: 1.285428350890988
Energy: 1.233771693380597
Energy: 1.320320413895955
Energy: 1.2860592586978725
Energy: 1.261661282451121
Energy: 1.2830691726895835
Energy: 1.232017143671597
Energy: 1.226864715824318
Energy: 1.267391239465994
Energy: 1.229272968608874
Energy: 1.2379860394812499
Energy: 1.2488806733863889
Energy: 1.2733961868578252
Energy: 1.2369500265896134
Energy: 1.246982939552765
Energy: 1.2698227929334276
Energy: 1.1832399661377315
Energy: 1.2728428073426807
Energy: 1.2728240756646578
Energy: 1.1846289224693176
Energy: 1.3401286408637176
Energy: 1.2745780883940612
Energy: 1.2204098632257256
Energy: 1.232325032121125
Energy: 1.2653585688254265
Energy: 1.2097254886340763
Energy: 1.2588009857480362
Energy: 1.268123043366789
Energy: 1.3140363975700562
Energy: 1.275610143605072
Energy: 1.2732260448036825
Energy: 1.307089217544258
Energy: 1.2252394159229905
Energy: 1.2991525059298419
Energy: 1.2919033147403902
Energy: 1.2246355372344424
Energy: 1.273278015442258
Energy: 1.2926078689369915
Energy: 1.2272611325568095
Energy: 1.298603049931781
Energy: 1.479688193213196
Energy: 1.2741022017736694
Energy: 1.2231762087101246
Energy: 1.2104810962796968
Energy: 1.2767946904385992
Energy: 1.2752698748478666
Energy: 1.1753502331474233
Energy: 1.2504428082652825
Energy: 1.2631637929282726
Energy: 1.175945872700253
Energy: 1.2062920780331277
Energy: 1.2634766715807144
Energy: 1.338277577717755
Energy: 1.1975001692407434
Energy: 1.267456633466483
Energy: 1.3063320980759128
Energy: 1.198681819426268
Energy: 1.2663727661462476
Energy: 1.3100923936050086
Energy: 1.2323252118429415
Energy: 1.2618825928483641
Energy: 1.414510668536056
Energy: 1.3061055909301715
Energy: 1.2597257783714004
Energy: 1.3597908338677285
Energy: 1.3258409096597703
Energy: 1.327370505450666
Energy: 1.183636201333368
Energy: 1.3912864334965642
Energy: 1.2675259041263285

minimum gb energy = 1.1753502331474233 eV
minimum distance =  2.27678596040116 Angstroms
sigma value = 19


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

Energy: 1.3832551745361088
Energy: 1.3146070179702802
Energy: 1.2760120924370555
Energy: 1.2541102468753424
Energy: 1.3551569111392572
Energy: 1.251903382831811
Energy: 1.2968292637045604
Energy: 1.258537065542751
Energy: 1.2430020824159334
Energy: 1.2692364085499883
Energy: 1.2557074650164115
Energy: 1.2676560119543254
Energy: 1.2952309750609938
Energy: 1.2449504024710922
Energy: 1.2399560540108532
Energy: 1.2988768156053838
Energy: 1.2461960007497315
Energy: 1.2712152870431759
Energy: 1.271457255609228
Energy: 1.2542940444488975
Energy: 1.2549789967275622
Energy: 1.2713313299963318
Energy: 1.2527861223294618
Energy: 1.255829606047089
Energy: 1.2383903201733701
Energy: 1.272176158629805
Energy: 1.2449068551140448
Energy: 1.2389624626147
Energy: 1.290646671800625
Energy: 1.2756962244488075
Energy: 1.282871230558255
Energy: 1.2566935358596967
Energy: 1.2572914286372765
Energy: 1.2705878812903784
Energy: 1.262540436652259
Energy: 1.2570265690999947
Energy: 1.2715493034305398
Energy: 1.230649690545465
Energy: 1.264630009801193
Energy: 1.2724101001721968
Energy: 1.2416849909848386
Energy: 1.2660505537788278
Energy: 1.2402583904450555
Energy: 1.2094921015706557
Energy: 1.2666666123147972
Energy: 1.2402338850830419
Energy: 1.2152789137435054
Energy: 1.2739999611584392
Energy: 1.2293742922870412
Energy: 1.2543611909911203
Energy: 1.2445216981030693
Energy: 1.230108803050669
Energy: 1.2905244642919507
Energy: 1.2436048895642884
Energy: 1.2142887177001156
Energy: 1.2429224588329173
Energy: 1.2169873681888863
Energy: 1.2163979082148801
Energy: 1.252618577733645
Energy: 1.2169833874498819
Energy: 1.299487125777852
Energy: 1.2404046560882667
Energy: 1.2398611675755038
Energy: 1.287886975950378
Energy: 1.2305452113247162
Energy: 1.2310612077133456
Energy: 1.3020966221508405
Energy: 1.244607517987216
Energy: 1.2212926432097089
Energy: 1.2928914950193877
Energy: 1.2319844570041945
Energy: 1.2376955503374338
Energy: 1.2851700542538091
Energy: 1.2437409230626078
Energy: 1.216981003949311
Energy: 1.194821560245481
Energy: 1.244419259740975
Energy: 1.2225477341363162
Energy: 1.3317710392399371
Energy: 1.2476587537430723
Energy: 1.2459514807233782
Energy: 1.2218091280861927
Energy: 1.2105266776830867
Energy: 1.244008992591909
Energy: 1.2742939262927888
Energy: 1.221202898923173
Energy: 1.2227648943035132
Energy: 1.274002791035014
Energy: 1.2365290037560872
Energy: 1.2248139874898076
Energy: 1.2897696584519867
Energy: 1.211472090786314
Energy: 1.1831151417012165
Energy: 1.2903725253854754
Energy: 1.1873772280411308
Energy: 1.1851235421089377
Energy: 1.2410186441033006
Energy: 1.1917761347820677
Energy: 1.249704933745995
Energy: 1.195692697453532
Energy: 1.2418644572235584
Energy: 1.2430737921428112
Energy: 1.3018157695240444
Energy: 1.2143949528029072
Energy: 1.2171427578727925
Energy: 1.2243990994019447
Energy: 1.3105538028991484
Energy: 1.2468223396981295
Energy: 1.2731131523806447
Energy: 1.263478335592129
Energy: 1.25523287399916
Energy: 1.2740431135723533
Energy: 1.2022835894366448
Energy: 1.2238672130171502
Energy: 1.233818099749978
Energy: 1.2370476230698377
Energy: 1.2668564336511328
Energy: 1.2340883160003877
Energy: 1.2023518650807345
Energy: 1.237785557009258
Energy: 1.2073498930297908
Energy: 1.215554857984013
Energy: 1.2222659175613226
Energy: 1.2068365680491089
Energy: 1.2706252185719038
Energy: 1.2194140446034218
Energy: 1.2113407031204881
Energy: 1.254029482239678
Energy: 1.2544404126943758
Energy: 1.215182740064391
Energy: 1.2693537233545713
Energy: 1.252412769259451
Energy: 1.2648687708883044
Energy: 1.2245428937681444
Energy: 1.248191959683957
Energy: 1.290415832722526
Energy: 1.230026800620989
Energy: 1.2412419048930976
Energy: 1.2806696573262504
Energy: 1.2124786455672505
Energy: 1.2259891058566899
Energy: 1.2808457918089706
Energy: 1.2078820440047295
Energy: 1.222293572637249
Energy: 1.2868265097187979
Energy: 1.2421863237431887
Energy: 1.2415168544784532
Energy: 1.2263790391214726
Energy: 1.3027722986354193
Energy: 1.2751945332840668
Energy: 1.2424928577356715
Energy: 1.27163918548537
Energy: 1.2445062134316593
Energy: 1.2235632273224133
Energy: 1.2658743906406278
Energy: 1.2645449185245927
Energy: 1.2923667290407252
Energy: 1.215223874644789
Energy: 1.2151974720658625
Energy: 1.2930846386727304
Energy: 1.2429089046769202
Energy: 1.237529859736631
Energy: 1.2805321492490955
Energy: 1.2553456802412706
Energy: 1.2398092753343628
Energy: 1.2835597737097695
Energy: 1.232852377351895
Energy: 1.2429572789870595
Energy: 1.3263742031321586
Energy: 1.2945958683078986
Energy: 1.2898130397032235
Energy: 1.1924959868941045
Energy: 1.2761574675671767
Energy: 1.2241330165979911

minimum gb energy = 1.1831151417012165 eV
minimum distance =  2.26470264642399 Angstroms
sigma value = 101


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

Energy: 1.9877397360244993
Energy: 1.2800737565965141
Energy: 1.2832979495265735
Energy: 1.2268316186458503
Energy: 1.2271484887751893
Energy: 1.2259305455076273
Energy: 1.3156172087819773
Energy: 1.1901837675357898
Energy: 1.17023998065196
Energy: 1.2394763282455377
Energy: 1.2046925766214267
Energy: 1.169883571796096
Energy: 1.243908716419527
Energy: 1.170129966886344
Energy: 1.230251926380064
Energy: 1.244745257420773
Energy: 1.1748147761795822
Energy: 1.2409073016722265
Energy: 1.221531095776596
Energy: 1.1694514157183504
Energy: 1.170347424629934
Energy: 1.210397054038232
Energy: 1.1840772156207204
Energy: 1.170610413771378
Energy: 1.2188075155051452
Energy: 1.2040803657447359
Energy: 1.2495575436253636
Energy: 1.2210037192539738
Energy: 1.2400909657693646
Energy: 1.2640510768680318
Energy: 1.226918276199012
Energy: 1.171696847470366
Energy: 1.1700630286629092
Energy: 1.228247419868231
Energy: 1.2187746907413703
Energy: 1.1714489634482523
Energy: 1.239421703080659
Energy: 1.1910675169069103
Energy: 1.1871923799274897
Energy: 1.2330331760160615
Energy: 1.1662292678503383
Energy: 1.2426108289627043
Energy: 1.198890731993084
Energy: 1.1698934571724984
Energy: 1.1688780368968978
Energy: 1.1989797511835767
Energy: 1.174645456653547
Energy: 1.1846259712262825
Energy: 1.2054728726101585
Energy: 1.204146713659305
Energy: 1.2097446772925846
Energy: 1.2076033509676507
Energy: 1.2405592093524371
Energy: 1.1714472615927074
Energy: 1.1945194925214964
Energy: 1.167294272913844
Energy: 1.1640108516964898
Energy: 1.1724756993206087
Energy: 1.22430125846518
Energy: 1.165296436265324
Energy: 1.2262565566263588
Energy: 1.2133277253120975
Energy: 1.2259444008242484
Energy: 1.202243903956207
Energy: 1.1682141655308254
Energy: 1.2218767452678256
Energy: 1.2501018506219148
Energy: 1.164113137964621
Energy: 1.1647509248762191
Energy: 1.2508028680760752
Energy: 1.1870060944382725
Energy: 1.1741399435493125
Energy: 1.2175576032122957
Energy: 1.1986641997145493
Energy: 1.1988641122930093
Energy: 1.1914403019810362
Energy: 1.2422787022394495
Energy: 1.198844416679026
Energy: 1.2181298735444743
Energy: 1.2029395021290747
Energy: 1.1957752856267125
Energy: 1.209752964792827
Energy: 1.1898030607448464
Energy: 1.2259705503531473
Energy: 1.2407660908380662
Energy: 1.2241629422852143
Energy: 1.2320739937649723
Energy: 1.2410182892606059
Energy: 1.2271411885100725
Energy: 1.2321237100412057
Energy: 1.2463003588135793
Energy: 1.1702971161442814
Energy: 1.1856394406783248
Energy: 1.2390107201314906
Energy: 1.1887717628918804
Energy: 1.1711436554904007
Energy: 1.2249549616409194
Energy: 1.223117960318999
Energy: 1.1721187324061582
Energy: 1.154144763456313
Energy: 1.2119098269782935
Energy: 1.2104923764826645
Energy: 1.2889086260664389
Energy: 1.193217893024591
Energy: 1.187903311133186
Energy: 1.1606193689469677
Energy: 1.2014713229269487
Energy: 1.1552111929315354
Energy: 1.2437389279788926
Energy: 1.170651553144081
Energy: 1.1822537962864277
Energy: 1.2398369922990473
Energy: 1.203639303796729
Energy: 1.1683693330161824
Energy: 1.2017811236969511
Energy: 1.182949495665539
Energy: 1.1860069930107138
Energy: 1.2036139342246268
Energy: 1.1767622817737875
Energy: 1.1850137871532038
Energy: 1.2198130960660774
Energy: 1.199261132423588
Energy: 1.2019258909055197
Energy: 1.2209303324507716
Energy: 1.2320413082391597
Energy: 1.1548852702585204
Energy: 1.2257458322778705
Energy: 1.2003160647675493
Energy: 1.1920149571192158
Energy: 1.2288813878743508
Energy: 1.2499879894040906
Energy: 1.1934345795600738
Energy: 1.2396757506912952
Energy: 1.1770258108407212
Energy: 1.1769212137419596
Energy: 1.2393506654792708
Energy: 1.1671787234627107
Energy: 1.2076627748785274
Energy: 1.1982121784932043
Energy: 1.1772845034875867
Energy: 1.1758440199797027
Energy: 1.198573013787004
Energy: 1.1727650577403559
Energy: 1.2117097885692971
Energy: 1.1956466679718794
Energy: 1.2017458729266928
Energy: 1.1825714105634377
Energy: 1.196780491827781
Energy: 1.2391104022035264
Energy: 1.183020611666329
Energy: 1.1950520710960104
Energy: 1.1976603641795014
Energy: 1.1964797034239518
Energy: 1.1968204715288306
Energy: 1.2294184898870977
Energy: 1.1970108356797928
Energy: 1.2058474290273054
Energy: 1.1613432060856186
Energy: 1.1611720314837748
Energy: 1.2360393454270475
Energy: 1.160318364370412
Energy: 1.161263888270509
Energy: 1.2402122153129762
Energy: 1.1970277077290432
Energy: 1.1972929686282379
Energy: 1.2396197553256247
Energy: 1.1588771785260747
Energy: 1.1938841793276003
Energy: 1.2121355223959465
Energy: 1.2381864114009014
Energy: 1.2146363712601107
Energy: 1.214129498963437
Energy: 1.2472722329315966
Energy: 1.1848926429812896
Energy: 1.21904743586112
Energy: 1.200186854831828
Energy: 1.1861218635738457
Energy: 1.1911256263669985
Energy: 1.1897430998028014
Energy: 1.1877096973209722
Energy: 1.2395442741596125
Energy: 1.174117371210805
Energy: 1.1947494445779117
Energy: 1.238976500985045
Energy: 1.1785757910226708
Energy: 1.195338167018077
Energy: 1.2496467559209463
Energy: 1.1736215667966796
Energy: 1.187264520546915
Energy: 1.2391241731580394
Energy: 1.1928407352045354
Energy: 1.1854713275158582
Energy: 1.2238634161524007
Energy: 1.226041950055414
Energy: 1.1729390883122877
Energy: 1.1702186086311108
Energy: 1.2056980505474872
Energy: 1.1701338553152594

minimum gb energy = 1.154144763456313 eV
minimum distance =  2.31128274646683 Angstroms
sigma value = 33


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

Energy: 0.018331982313230154
Energy: 0.018612710899696707
Energy: 0.018951681577958814
Energy: 0.020467921565293132
Energy: 1.1030772172898822
Energy: 0.01869249079266339
Energy: 0.019123778590476936
Energy: 0.17475272858272337
Energy: 0.17571295506786586
Energy: 0.17465833734224523
Energy: 0.1747224373276662
Energy: 0.17485386674459472
Energy: 1.3889137473596511
Energy: 1.1034508465291253
Energy: 1.1019922286879444
Energy: 1.3889839322412487
Energy: 1.1069170716713799
Energy: 1.1027772100782085
Energy: 0.4497621915957476
Energy: 0.1747527285835929
Energy: 0.17571295506965598
Energy: 0.17465833734311476
Energy: 0.1747224373263364
Energy: 0.17485386674459472

minimum gb energy = 0.018331982313230154 eV
minimum distance =  2.4805286128655 Angstroms
sigma value = 1