Model name: model_name=MEAM_LAMMPS_KimShinLee_2009_FeMn__MO_058735400462_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.567322999238968
cohesive_energy=4.225801906650114
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01686793992382391
Energy: 0.03147782530444601
Energy: 0.030334432604466527
Energy: 0.031477825306342515
Energy: 0.03147782530444601
Energy: 1.293107036652049
Energy: 0.031477825303837706
Energy: 1.2931070366526933
Energy: 0.030334432605110623
Energy: 0.0314778253013329
Energy: 0.01686793992382391
Energy: 0.031477825305090114
Energy: 0.031477825305090114
Energy: 1.2931070366526933
Energy: 0.031477825300044705
Energy: 1.293107036652049

minimum gb energy = 0.01686793992382391 eV
minimum distance =  2.44144576076569 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.5684974799610518
Energy: 0.5785232386114315
Energy: 0.3305314941002025
Energy: 0.5785232386114315
Energy: 0.5230061976415494
Energy: 0.5474151591212313
Energy: 0.5219602405645698
Energy: 0.5474151499773405
Energy: 0.42917822485056656
Energy: 0.5387516624086498
Energy: 0.526234973471941
Energy: 0.5387516624078688
Energy: 0.48564454419408876
Energy: 0.611540513420542
Energy: 0.5300340979838968
Energy: 0.6115405133932729
Energy: 0.4840233498979725
Energy: 0.5892473722896113
Energy: 0.457245490872859
Energy: 0.5892473722864867
Energy: 0.43467434323776455
Energy: 0.774524405135248
Energy: 0.41586052880423496
Energy: 0.7745244051336857
Energy: 0.5099344497824629
Energy: 0.5495168441116716
Energy: 0.4530470273496251
Energy: 0.5495168441086179
Energy: 0.31322997309595363
Energy: 0.578703349965037
Energy: 0.36483194866548996
Energy: 0.578703349965037
Energy: 0.5299330620235342
Energy: 0.7512127473623823
Energy: 0.48724640158960525
Energy: 0.7512127472889545
Energy: 0.4130254913415431
Energy: 0.5359151370724041
Energy: 0.23600712131621257
Energy: 0.5359151370724041
Energy: 0.49219539932797524
Energy: 0.5640070696700789
Energy: 0.5294329465460701
Energy: 0.5640070694951728
Energy: 0.37126782362517935
Energy: 0.5843090772413836
Energy: 0.765226623326836
Energy: 0.5843090772421647
Energy: 0.5254205000176276
Energy: 0.5252505631327988
Energy: 0.5314249437288883
Energy: 0.5252505631327988
Energy: 0.4855560565411109
Energy: 0.5599137221577649
Energy: 0.47878938821359274
Energy: 0.5599137221569837
Energy: 0.5023748539068705
Energy: 0.5882261940530028
Energy: 0.5322291876890994
Energy: 0.588226194054565
Energy: 0.47348525469668745
Energy: 0.5907234912130824
Energy: 0.5276403888404925
Energy: 0.5907234912154259
Energy: 0.5219344556854579
Energy: 0.5410189879308476
Energy: 0.388391702586682
Energy: 0.5410189879300663
Energy: 0.5192952074158612
Energy: 0.557397665187843
Energy: 0.514972877130753
Energy: 0.5573976651917487
Energy: 0.30597030906427003
Energy: 0.5846915848577813
Energy: 0.466257148484449
Energy: 0.5846915848577813
Energy: 0.5203150974028822
Energy: 0.6208593173300763
Energy: 0.5376114594885399
Energy: 0.6209081632833842
Energy: 0.39927361449576776
Energy: 0.5380460515345428
Energy: 0.3390693644986393
Energy: 0.5380460515329805
Energy: 0.5072779191045957
Energy: 1.0989210920268253
Energy: 0.463264782605039
Energy: 1.0989210919940173
Energy: 0.4618491102012109
Energy: 0.5854175191091133
Energy: 0.38453370627156036
Energy: 0.5854175191083323
Energy: 0.42576531088531955
Energy: 0.5413094820500639
Energy: 0.44646197782551367
Energy: 0.5413094820492828
Energy: 0.44107364031613283
Energy: 0.7828376066595119
Energy: 0.5142943505594366
Energy: 0.7828376066641988
Energy: 0.4775888594636382
Energy: 0.5802543276755949
Energy: 0.38899846883254996
Energy: 0.5802543276748139
Energy: 0.5033928238607761
Energy: 0.8151895305635191
Energy: 0.5250411016410599
Energy: 0.8151895305643001
Energy: 0.3453733785270975
Energy: 0.5427167380490879
Energy: 0.536723916344865
Energy: 0.5427167380506502
Energy: 0.521793758756169
Energy: 0.5737252878380462
Energy: 0.4988600080367732
Energy: 0.5737253400290162
Energy: 0.5653110655867043
Energy: 0.9260863831352771
Energy: 0.41721158297668426
Energy: 0.926086383134496
Energy: 0.5417275652574811
Energy: 0.5699910874357841
Energy: 0.5275748698853571
Energy: 0.5699910874146931
Energy: 0.45487926901008213
Energy: 0.5175303594580223
Energy: 0.525105378344291
Energy: 0.5175303594611468
Energy: 0.47287321252092096
Energy: 0.591427420526811
Energy: 0.49047480502135626
Energy: 0.5914274204518208

minimum gb energy = 0.23600712131621257 eV
minimum distance =  2.25660950312102 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.8950535468815071
Energy: 0.7552935322719858
Energy: 0.520582659914448
Energy: 0.7552935322800018
Energy: 0.6458515958204826
Energy: 0.7617143791965325
Energy: 0.6606066268395855
Energy: 0.7617143775629289
Energy: 0.4842224969827895
Energy: 0.7225350472637948
Energy: 0.63478725026197
Energy: 0.7225350472611228
Energy: 0.6327227158521278
Energy: 0.6912352059011293
Energy: 0.6001419214161786
Energy: 0.6912351989803371
Energy: 0.6216703826070207
Energy: 0.714906274671777
Energy: 0.605029530021415
Energy: 0.714906274674449
Energy: 0.6152734291810585
Energy: 0.7217863432097326
Energy: 0.5989087992186678
Energy: 0.7217863432115138
Energy: 0.6171870879561309
Energy: 0.7048736678860004
Energy: 0.6689112015996515
Energy: 0.7048736677845074
Energy: 0.3881874319058643
Energy: 0.748416361001884
Energy: 0.4958903297671688
Energy: 0.7484163609983214
Energy: 0.6144729220444253
Energy: 0.7020606481411015
Energy: 0.6445097959119954
Energy: 0.7020605962858868
Energy: 0.5909497944362944
Energy: 0.7434407220687969
Energy: 0.49093639575016873
Energy: 0.7434407220563684
Energy: 0.5874260910761983
Energy: 0.7215937983762555
Energy: 0.6739891884254315
Energy: 0.7215937966527372
Energy: 0.5322496537505058
Energy: 0.7081633581403539
Energy: 0.6349984113063247
Energy: 0.708163358144807
Energy: 0.7012743230226789
Energy: 0.6954750047991057
Energy: 0.6109395921168507
Energy: 0.6954750047991057
Energy: 0.7009383708746367
Energy: 0.7076576112635524
Energy: 0.5979764754786004
Energy: 0.7076576112617712
Energy: 0.5465463863077756
Energy: 0.7133048231865611
Energy: 0.6454064064240118
Energy: 0.7133048232578125
Energy: 0.5855787502196964
Energy: 0.7179488412309711
Energy: 0.6549243166751453
Energy: 0.7179488412309711
Energy: 0.5914870242155057
Energy: 0.7501633597925924
Energy: 0.4683429337582818
Energy: 0.7501633597943737
Energy: 0.6362231321538786
Energy: 0.9778146408810232
Energy: 0.6411910412961805
Energy: 0.9778144633645189
Energy: 0.42912504236497573
Energy: 0.7096092932791331
Energy: 0.48154195173878184
Energy: 0.7096092985191176
Energy: 0.6125264595794407
Energy: 0.6895647507072731
Energy: 0.6047208196104337
Energy: 0.6895647506556156
Energy: 0.6143009121467475
Energy: 0.7163082286265333
Energy: 0.5555288127892147
Energy: 0.7163082286265333
Energy: 0.6159504909792215
Energy: 0.6945959485850195
Energy: 0.6126288822103083
Energy: 0.6945959486224265
Energy: 0.6271301681273602
Energy: 0.7037052356845507
Energy: 0.5580934227871469
Energy: 0.7037052356827694
Energy: 0.5160156875770948
Energy: 0.7449650263096584
Energy: 0.6444514555528754
Energy: 0.7449650262882831
Energy: 0.6465407033546933
Energy: 0.7156420945498256
Energy: 0.6597894893916578
Energy: 0.7156420926046179
Energy: 0.8950535468806163
Energy: 0.7552935322461977
Energy: 0.520582659911776
Energy: 0.7552935322417444
Energy: 0.6458515958204826
Energy: 0.761714357431736
Energy: 0.6606066268404761
Energy: 0.761714363886033
Energy: 0.48422249697032044
Energy: 0.7225350470697154
Energy: 0.63478725026197
Energy: 0.7225350470242925
Energy: 0.6327227158530185
Energy: 0.6912352109248086
Energy: 0.6001419214143972
Energy: 0.6912352136097772

minimum gb energy = 0.3881874319058643 eV
minimum distance =  2.24707386066431 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.8856876228157481
Energy: 0.8655651988382014
Energy: 0.6948512128359264
Energy: 0.865565198837166
Energy: 0.8332532519989627
Energy: 0.8440133694277562
Energy: 0.8144453322819142
Energy: 0.8440133694484632
Energy: 0.6628210652042704
Energy: 1.0392274650583213
Energy: 0.7537297671318357
Energy: 1.0392274650593567
Energy: 0.7319535913312172
Energy: 0.9024346704414027
Energy: 0.7372579733644445
Energy: 0.9024346704414027
Energy: 0.714331628560801
Energy: 1.1305455871309
Energy: 0.6920230934865624
Energy: 1.1305455871319354
Energy: 0.7904772905281351
Energy: 0.982335832088036
Energy: 0.8036241113450416
Energy: 0.9823358320653053
Energy: 0.7867167374491902
Energy: 0.791714850052732
Energy: 0.7801555254316772
Energy: 0.7917148512563298
Energy: 0.7391091662857969
Energy: 0.8606839472299702
Energy: 0.5855367388562536
Energy: 0.8606839472310055
Energy: 0.729831644280191
Energy: 0.8757653659894128
Energy: 0.7823005788323447
Energy: 0.8757653651283757
Energy: 0.7599454427719476
Energy: 0.9812992564409834
Energy: 0.6998753761309598
Energy: 0.9812992565465423
Energy: 0.7762314338078516
Energy: 0.9084213761367469
Energy: 0.8295916329583317
Energy: 0.9084213761377822
Energy: 0.6923361213542943
Energy: 0.8928521361283626
Energy: 0.8149519355167483
Energy: 0.8928521361273273
Energy: 0.7609528493663049
Energy: 0.8952056664998017
Energy: 0.6858438059040839
Energy: 0.8952056664998017
Energy: 0.7456171492196922
Energy: 0.8660397402120079
Energy: 0.7674893959600754
Energy: 0.8660397402305972
Energy: 0.601196047714018
Energy: 0.863955913115719
Energy: 0.620715819401881
Energy: 0.863955913115719
Energy: 0.8104940054524735
Energy: 0.8432260702871276
Energy: 0.7450755557152153
Energy: 0.8432260721240791
Energy: 0.5739161454215801
Energy: 0.9663492794264191
Energy: 0.5705873631685373
Energy: 0.9663492794264191
Energy: 0.709812002347505
Energy: 1.1274739855941538
Energy: 0.7313944531168413
Energy: 1.1274739855951894
Energy: 0.662143731998456
Energy: 0.8789581584664294
Energy: 0.7294784400461201
Energy: 0.8789579360616901
Energy: 0.8211945781698149
Energy: 1.014449151626022
Energy: 0.7761898952993607
Energy: 1.0144491516270573
Energy: 0.8172124593306983
Energy: 0.8489917574935567
Energy: 0.8015316101621668
Energy: 0.848991757491533
Energy: 0.812721056613937
Energy: 0.8677401104114975
Energy: 0.7594211593121685
Energy: 0.8677401104104622
Energy: 0.8055987373775335
Energy: 0.8954304380934915
Energy: 0.8252983605053401
Energy: 0.8954304380925031
Energy: 0.6745690376824335
Energy: 0.9949015457352404
Energy: 0.790721445598057
Energy: 0.9949015457745838
Energy: 0.8031502296888382
Energy: 0.8808738767333303
Energy: 0.7260686047883492
Energy: 0.8808738767229768

minimum gb energy = 0.5705873631685373 eV
minimum distance =  2.21720607304855 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.145653281865998
Energy: 1.029710625528998
Energy: 0.7917803296600024
Energy: 1.0297106265326865
Energy: 0.8892864845739524
Energy: 1.4632612812445687
Energy: 0.9334573798988449
Energy: 1.4632612812445687
Energy: 0.8083784268408806
Energy: 1.2232094828360305
Energy: 0.8334780319403368
Energy: 1.223209482829855
Energy: 1.1772994791379066
Energy: 1.0635088794440128
Energy: 0.7844661581096667
Energy: 1.0635088794452476
Energy: 0.9782824457242701
Energy: 1.2024451262502784
Energy: 0.8616045826765328
Energy: 1.202445126244103
Energy: 0.7031305368920582
Energy: 1.045269099427978
Energy: 0.8976424925511618
Energy: 1.045269099427978
Energy: 1.0359031439324324
Energy: 0.8224639915852325
Energy: 0.764316034603858
Energy: 0.8224662301780978
Energy: 0.8271458563834642
Energy: 1.0425129523054197
Energy: 0.7630876588243437
Energy: 1.0425129522881282
Energy: 1.0198028986319807
Energy: 1.2480926514257797
Energy: 0.9309723634765299
Energy: 1.24809265142825
Energy: 0.9637125014562384
Energy: 1.060973664493336
Energy: 0.9071960300706909
Energy: 1.0609736644402545
Energy: 0.8952946970215117
Energy: 1.0259805037267475
Energy: 0.8598422382339775
Energy: 1.0259805037267475
Energy: 0.9608313139121699
Energy: 1.1819632044241686
Energy: 0.7455818467364166
Energy: 1.181963204417993
Energy: 0.7150444183042542
Energy: 1.0525540130281228
Energy: 0.7844097686531988
Energy: 1.052554013056502
Energy: 0.7529194514831219
Energy: 0.951390181771968
Energy: 0.911093075417776
Energy: 0.9513901517130797
Energy: 0.7135732016281308
Energy: 1.0406057054945335
Energy: 0.8103464901613664
Energy: 1.0406057055105897
Energy: 0.9534359181651482
Energy: 1.2122945264016323
Energy: 0.7471772566157977
Energy: 1.212294526400397
Energy: 0.9008433899050892
Energy: 1.0343586314891058
Energy: 0.891098226782964
Energy: 1.0343586314891058
Energy: 0.9640718199956252
Energy: 1.0531211916691117
Energy: 0.8977269122145276
Energy: 1.0531211925728128
Energy: 1.0212604238180885
Energy: 1.278196220340384
Energy: 0.9305422184341394
Energy: 1.278196220340384
Energy: 0.7972472096304042
Energy: 1.0728311877312922
Energy: 0.7475040739588354
Energy: 1.0728311876757406
Energy: 1.0461296734575831
Energy: 0.7528456020040843
Energy: 0.7604640158818768
Energy: 0.7528456005769247

minimum gb energy = 0.7031305368920582 eV
minimum distance =  2.26862960189303 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.9399478039669521
Energy: 1.1053042875108035
Energy: 0.9372645818624415
Energy: 1.1053042875718664
Energy: 0.7904477207146945
Energy: 1.420882847266805
Energy: 1.1824248727423756
Energy: 1.420882847266805
Energy: 0.7297988029102358
Energy: 1.2838136936325808
Energy: 1.0359353408007672
Energy: 1.2838136936325808
Energy: 0.8948244698878388
Energy: 1.4689481450552315
Energy: 0.9952874792001061
Energy: 1.4689481450552315
Energy: 0.8580944336349586
Energy: 1.1910244606408351
Energy: 0.9401298091591758
Energy: 1.1910244606133762
Energy: 1.015581724944489
Energy: 1.284328131757882
Energy: 0.7473185090030464
Energy: 1.284328131757882
Energy: 1.2497348665724488
Energy: 0.9766653653223947
Energy: 0.8950360971157502
Energy: 0.9766653653941497
Energy: 0.9800843184315717
Energy: 1.4154909095954424
Energy: 0.8758124856959568
Energy: 1.4154909095954424
Energy: 1.0398803357275157
Energy: 1.3289825915006122
Energy: 0.7930618534285342
Energy: 1.3289825915006122
Energy: 1.0267073701670095
Energy: 1.2819034245929088
Energy: 1.0127523828397977
Energy: 1.281903424606656
Energy: 0.8881547359364825
Energy: 1.4165024622444922
Energy: 0.9350648213891111
Energy: 1.4165024622444922
Energy: 1.1779624538249631
Energy: 0.9548241862485998
Energy: 1.0765871838055956
Energy: 0.9548241599088624
Energy: 0.8650148422894587
Energy: 1.3170532701955937
Energy: 1.0445370898202975
Energy: 1.3170532701971214
Energy: 1.3029848205556467
Energy: 1.1687275074924148
Energy: 0.803251344405594
Energy: 1.1687275074908872
Energy: 1.0831049228903669
Energy: 1.4048845967364032
Energy: 0.9983344942794052
Energy: 1.4048845967364032
Energy: 1.148423622808942
Energy: 1.2837965963493907
Energy: 1.0166125232737535
Energy: 1.2837965969081917
Energy: 0.7985135093476775
Energy: 1.0655982591277282
Energy: 0.9274892479635162
Energy: 1.0655982562970998

minimum gb energy = 0.7297988029102358 eV
minimum distance =  2.29162799706046 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.113120619495164
Energy: 1.014333728447168
Energy: 0.9923993284617829
Energy: 1.0143337250679678
Energy: 0.9403383286748772
Energy: 0.9637890641939726
Energy: 0.8015167823218551
Energy: 0.9637890641879171
Energy: 0.8666503954749148
Energy: 1.0801969034688899
Energy: 0.8024239921281358
Energy: 1.080196903469755
Energy: 0.7974330731780576
Energy: 1.1076100829933164
Energy: 0.9129715255204471
Energy: 1.1076100829950468
Energy: 0.8383306435336937
Energy: 1.0208120754720538
Energy: 0.8505215256542145
Energy: 1.020812069344879
Energy: 0.7479419688568434
Energy: 1.0876166438714032
Energy: 0.8210331616591965
Energy: 1.0876166439215773
Energy: 1.1414190170336498
Energy: 0.9520261731856693
Energy: 0.8721844129834131
Energy: 0.9520261731925899
Energy: 0.8103626460152454
Energy: 1.1150607174200962
Energy: 0.9428219075086148
Energy: 1.1150607174200962
Energy: 0.9235778460493002
Energy: 1.4056959031519392
Energy: 0.9080674330506514
Energy: 1.4056959031528042
Energy: 0.950707923676699
Energy: 1.0291854072155888
Energy: 0.8846473041540119
Energy: 1.0291854833970155
Energy: 1.0285190324940288
Energy: 1.0995964118999737
Energy: 0.844495775582974
Energy: 1.0995964119051642
Energy: 1.0372676927295519
Energy: 0.9944160129213743
Energy: 0.903275160613949
Energy: 0.9944160129325808
Energy: 0.891650650162934
Energy: 1.0609198663597368
Energy: 0.9557014332411912
Energy: 1.0609198661876666
Energy: 1.0424953728032003
Energy: 1.4186662266123065
Energy: 0.9309636284225993
Energy: 1.418666226620092
Energy: 0.8552978394223797
Energy: 1.0708593976295437
Energy: 1.0876165522734813
Energy: 1.0708593976243534
Energy: 0.8645565614670068
Energy: 1.0704281391095556
Energy: 1.1870804531995343
Energy: 1.0704281370922515
Energy: 1.1289140228152619
Energy: 1.065062069333765
Energy: 0.9780236181799249
Energy: 1.0650620727735203
Energy: 0.823173353360746
Energy: 1.0367020158285396
Energy: 0.7872609942490223
Energy: 1.0367020161528229
Energy: 1.1033402971310624
Energy: 1.0609097273732357
Energy: 0.8808447901463375
Energy: 1.0609097273645849
Energy: 0.9493155713870097
Energy: 1.058179940726493
Energy: 0.7803590907198261
Energy: 1.0581792576244542
Energy: 0.8610178191848541
Energy: 1.1150357071934895
Energy: 0.840208037035733
Energy: 1.1150357072419335
Energy: 0.8750329345878572
Energy: 1.0681280485822509
Energy: 0.9946452994426646
Energy: 1.0681280954992562
Energy: 0.9296105883015042
Energy: 1.0880912404080922
Energy: 1.0345848924457537
Energy: 1.0880912406796064
Energy: 0.8975516518346701
Energy: 1.0684777794040374
Energy: 0.909548403574845
Energy: 1.0684777787624307
Energy: 0.9506172366598489
Energy: 1.0713598778019533
Energy: 0.909265908132392
Energy: 1.071359877718946
Energy: 0.9484033335059792
Energy: 1.2979030988717901
Energy: 1.060832617873778
Energy: 1.2979030987550448
Energy: 0.838316584473503
Energy: 1.1249037798746049
Energy: 0.9311388742222723
Energy: 1.1249037798789303
Energy: 0.8426482745911795
Energy: 1.0759161501884598
Energy: 0.8365043901930417
Energy: 1.0759161547868588
Energy: 0.9581780516669727
Energy: 1.1990170508851743
Energy: 0.7683930262410048
Energy: 1.1990170509033409
Energy: 0.9673666240735705
Energy: 1.053103008786038
Energy: 0.8326012619280476
Energy: 1.053103008786038

minimum gb energy = 0.7479419688568434 eV
minimum distance =  2.26836656861707 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.0226707492045422
Energy: 1.100026910455662
Energy: 1.0638941450807986
Energy: 1.1000269104536706
Energy: 1.0998798117459043
Energy: 1.2421350814352838
Energy: 1.0242675092320115
Energy: 1.242135081447188
Energy: 1.022566830103299
Energy: 1.2529044924598793
Energy: 1.285030670325198
Energy: 1.2529044924598793
Energy: 1.0282235242409667
Energy: 1.2937905696145486
Energy: 1.1270928130361426
Energy: 1.2937905696165402
Energy: 1.136876000986182
Energy: 1.2605859549134866
Energy: 1.165933776949973
Energy: 1.2605859549134866
Energy: 1.0226707492045422
Energy: 1.1000269104635831
Energy: 1.0624787446307937
Energy: 1.1000269104675662
Energy: 1.0998798107764312
Energy: 1.2421350815228664
Energy: 1.1912022674509948
Energy: 1.242135081516892
Energy: 1.0225668318033057
Energy: 1.2529044924618709
Energy: 1.285030670333164
Energy: 1.2529044924618709
Energy: 1.0282235242429583
Energy: 1.2937905696145486
Energy: 0.9287375408970218
Energy: 1.2937905696165402
Energy: 1.1368760009881735
Energy: 1.260585954915478
Energy: 1.4509057204308233
Energy: 1.2605859549134866
Energy: 1.0226707492045422
Energy: 1.1000269103561302
Energy: 1.0909686800699214
Energy: 1.1000269103521472
Energy: 1.0998798111626091
Energy: 1.24213508162439
Energy: 1.1912022673136238
Energy: 1.2421350816184153
Energy: 1.022566831162301
Energy: 1.2529044924598793
Energy: 1.2850306703311722
Energy: 1.2529044924618709

minimum gb energy = 0.9287375408970218 eV
minimum distance =  2.27184803841845 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.8768353153119233
Energy: 1.2042283921105752
Energy: 1.251075078229568
Energy: 1.204228392103941
Energy: 1.1219339074018035
Energy: 0.8966969935874465
Energy: 0.86844479337289
Energy: 0.8966969935948175
Energy: 1.069245467154145
Energy: 1.0644535700963416
Energy: 0.8355893334598138
Energy: 1.0644535700978157
Energy: 1.2016959347584357
Energy: 1.236387243167763
Energy: 0.8123741901882208
Energy: 1.2363872431648146
Energy: 1.037201435163934
Energy: 0.9465476667732117
Energy: 0.8446822847687745
Energy: 0.946547666869035
Energy: 0.8826927860513345
Energy: 0.9582162524642455
Energy: 0.8843509785315075
Energy: 0.9582162524340242
Energy: 1.1167403896555936
Energy: 0.9552723699611609
Energy: 0.8528133009866387
Energy: 0.9552723699523158
Energy: 0.834773621245658
Energy: 1.5440241983365701
Energy: 0.9603371561543698
Energy: 1.544024198335833
Energy: 1.049238611731178
Energy: 1.2527824777812586
Energy: 0.8848857544332641
Energy: 1.2527668202357405
Energy: 0.8232450644159733
Energy: 0.9705990271451672
Energy: 0.8444785800903388
Energy: 0.9705989533718635
Energy: 0.8177535726631758
Energy: 1.2473707951298714
Energy: 1.0318901866792278
Energy: 1.247370795140191
Energy: 0.9853615966923299
Energy: 1.2456767062940766
Energy: 0.8277326063828957
Energy: 1.2456767061386151
Energy: 0.7964128412336062
Energy: 1.1049978730136445
Energy: 1.0044206196395098
Energy: 1.1049978775367062
Energy: 1.2759982053149868
Energy: 1.4526300483021073
Energy: 0.8780067299490838
Energy: 1.452630064276123
Energy: 0.8114342319365732
Energy: 1.0974615639871945
Energy: 1.0829239622709057
Energy: 1.0974615639975138
Energy: 0.8167060287841975
Energy: 1.2332351447432435
Energy: 1.1922448395936316
Energy: 1.2332351239271346
Energy: 1.000760300411096
Energy: 1.0546318245210453
Energy: 0.8119920657885302
Energy: 1.054631824447402
Energy: 0.8096635164145922
Energy: 0.9568344781440079
Energy: 0.9782287420368179
Energy: 0.9568344780983075
Energy: 1.3126343724685046
Energy: 1.0725626727558755
Energy: 0.8925433027211731
Energy: 1.0725626715505119
Energy: 0.8754036251180023
Energy: 0.8837811501769267
Energy: 0.9643664778399299
Energy: 0.8837811498719003
Energy: 1.2219959075328726
Energy: 1.2440494536138367
Energy: 1.1835831723194479
Energy: 1.2440494623431406
Energy: 1.079296925828795
Energy: 0.9633433802732877
Energy: 0.8213896915023047
Energy: 0.963343655498642
Energy: 0.8842790923034027
Energy: 1.0888905464472427
Energy: 0.8230273605920504
Energy: 1.0888905463941714
Energy: 1.1295893714661163
Energy: 1.4691113378189453
Energy: 0.8193005668416813
Energy: 1.4691113378145226
Energy: 0.8582487048288816
Energy: 1.287409852073425
Energy: 1.2425495769380535
Energy: 1.2874098520962753
Energy: 1.1196378910002243
Energy: 0.9376222654617954
Energy: 0.8249695860123749
Energy: 0.937622265473589
Energy: 0.9446556243083492
Energy: 1.0416146605458831
Energy: 1.2798318498426593
Energy: 1.0416146627385618
Energy: 0.8577629746021478
Energy: 1.48907818592505
Energy: 1.2624724062361579
Energy: 1.4890781859228386
Energy: 0.874062412878993
Energy: 0.9142350285521953
Energy: 0.7695167949092793
Energy: 0.9142357048521623
Energy: 0.8540863017046151
Energy: 1.319710945004583
Energy: 1.1047352960273467
Energy: 1.3197109452396518
Energy: 1.0889953483449466
Energy: 1.4832102890485912
Energy: 0.8221793722924505
Energy: 1.4832102890485912
Energy: 0.858616600792617
Energy: 0.9040624491741281
Energy: 1.050648420701645
Energy: 0.9040886694976016
Energy: 0.8647332136390038
Energy: 1.1306899082228523
Energy: 0.8207519850632393
Energy: 1.130689908149946
Energy: 1.2057504298593453
Energy: 1.5478091012363533
Energy: 1.1717187065861518
Energy: 1.5478091012348791
Energy: 0.8694417805695684
Energy: 1.0129059848523434
Energy: 1.052535807080057
Energy: 1.0129060955322342

minimum gb energy = 0.7695167949092793 eV
minimum distance =  2.2426229503524 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.125220509665569
Energy: 1.1811742609190303
Energy: 1.2932620822266527
Energy: 1.1811742609143527
Energy: 0.9770710503370613
Energy: 1.1341575620178206
Energy: 0.9935288586926829
Energy: 1.1341575663897103
Energy: 0.894104619085679
Energy: 1.1108071336119372
Energy: 0.9605849534498762
Energy: 1.1108071323178885
Energy: 0.9495221502118782
Energy: 1.1597710694890149
Energy: 0.935530147506478
Energy: 1.1597708993348792
Energy: 1.0264417518590208
Energy: 1.0132615122435913
Energy: 0.9488149050835849
Energy: 1.0132615122166932
Energy: 1.032858895061856
Energy: 1.3099547670474878
Energy: 1.0464273688104238
Energy: 1.3099547729121308
Energy: 1.128330878581342
Energy: 1.3559149806288249
Energy: 0.9258952332704523
Energy: 1.3559149809046875
Energy: 0.9809212909574236
Energy: 1.2121637408467183
Energy: 1.1722323765338232
Energy: 1.2121648887748158
Energy: 1.2201155714007217
Energy: 0.9665241120013546
Energy: 1.0267296778162094
Energy: 0.9665241120445984
Energy: 0.8905908151417266
Energy: 1.035633850726447
Energy: 1.0136739049456818
Energy: 1.035633850721769
Energy: 0.9719245072374191
Energy: 0.9882418009616516
Energy: 1.111825532941476
Energy: 0.9882430295662618
Energy: 1.0916904987694618
Energy: 1.1716493393977712
Energy: 0.9494823142248414
Energy: 1.171649340854297
Energy: 0.8774449118089475
Energy: 1.132626287166312
Energy: 1.2943279334202737
Energy: 1.132600815975291
Energy: 1.1171326519173321
Energy: 1.1998289129327848
Energy: 0.894732527065706
Energy: 1.2089588089292977
Energy: 1.0214329219735343
Energy: 1.0813350549284064
Energy: 1.2377305353226609
Energy: 1.0813350551680418
Energy: 1.1509454955898242
Energy: 0.9869149224583404
Energy: 0.9665332952273243
Energy: 0.9869149224770254
Energy: 1.0434487955021017
Energy: 1.2355424038440708
Energy: 0.8901774592997982
Energy: 1.2355424039738028
Energy: 1.0135012602045732
Energy: 1.1777779708840748
Energy: 0.906170112658236
Energy: 1.1777779718905392
Energy: 0.9657811429450364
Energy: 1.189399763306088
Energy: 0.9850671842616614
Energy: 1.1893997632920543
Energy: 0.9738871951254483
Energy: 1.339614286664695
Energy: 1.06739641206055
Energy: 1.3396142866249594
Energy: 1.160710197170386
Energy: 1.2603123845253204
Energy: 0.8773962427187245
Energy: 1.260312385737506
Energy: 0.8849840184306517
Energy: 1.0418224776868799
Energy: 1.0959839368146582
Energy: 1.0418224776892187

minimum gb energy = 0.8773962427187245 eV
minimum distance =  2.27281035100317 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.9635174205789818
Energy: 0.9654128377754825
Energy: 1.3765970897616238
Energy: 0.9654128409247426
Energy: 1.0209237438955165
Energy: 1.174489141080227
Energy: 0.9614521771697815
Energy: 1.1744891403619524
Energy: 0.9536317306314185
Energy: 1.501569440987328
Energy: 0.8707784155402674
Energy: 1.5015694409865012
Energy: 0.8327616476303104
Energy: 0.9905510512074496
Energy: 0.9224310573097424
Energy: 0.9905510004730621
Energy: 1.0669993872947137
Energy: 1.0009787229746967
Energy: 0.899434960561937
Energy: 1.0009787242393546
Energy: 1.101696895632174
Energy: 0.9648739288347921
Energy: 1.077171408644576
Energy: 0.9729666349559045
Energy: 1.0607078484290071
Energy: 1.4489012814268418
Energy: 0.8831283881338571
Energy: 1.448901281875646
Energy: 1.1145506312233953
Energy: 1.1494548014184542
Energy: 1.2093786206873771
Energy: 1.1494548010944432
Energy: 1.0255463037614647
Energy: 1.2019527702713815
Energy: 0.953430139725904
Energy: 1.2019527702672466
Energy: 1.0679956884744801
Energy: 0.9470376222900669
Energy: 1.0578309138462385
Energy: 0.9470376819588914
Energy: 0.879428051820104
Energy: 1.2274016874218232
Energy: 0.862723566320243
Energy: 1.2274016818399611
Energy: 0.8767800087658069
Energy: 0.9986550266129671
Energy: 0.8664345765626631
Energy: 0.998655026848533
Energy: 0.9038710293626491
Energy: 1.1924747122742196
Energy: 0.8763735943178639
Energy: 1.1924747122692578
Energy: 0.8921725600266871
Energy: 1.1202590289865606
Energy: 0.865857774521853
Energy: 1.1202572766774308
Energy: 1.0464047926415387
Energy: 1.0854275985565265
Energy: 0.9411523274258881
Energy: 1.085429851159507
Energy: 1.3637995107519558
Energy: 1.0120548078848413
Energy: 1.0339919665157216
Energy: 1.0120542798313206
Energy: 1.052359421143926
Energy: 0.9958059849796157
Energy: 1.0292445405085437
Energy: 0.9958061095594032
Energy: 0.8909351992084938
Energy: 1.3554624982903385
Energy: 0.8614241084549655
Energy: 1.355462498296127
Energy: 1.0687772183295785
Energy: 1.2164384749472277
Energy: 0.8812843205758071
Energy: 1.2164384747752985
Energy: 1.059989678099199
Energy: 1.0003750861091378
Energy: 0.8668042020093227
Energy: 1.0003750848486141
Energy: 0.8696348353899603
Energy: 1.6124524231470532
Energy: 1.0570401563643932
Energy: 1.6124524231453992
Energy: 1.0623233965795085
Energy: 1.2155043125418001
Energy: 1.0659755040330567
Energy: 1.2155043125376652
Energy: 1.0358876184935226
Energy: 1.3666394863349278
Energy: 1.009096006113478
Energy: 1.3666394863283122
Energy: 0.9813404133969146
Energy: 0.9593868314107742
Energy: 1.1443777511939863
Energy: 0.9886429057549625
Energy: 0.8361458785416542
Energy: 1.0031369193629076
Energy: 0.8997003761181575
Energy: 1.003136919332311
Energy: 0.9004215991842559
Energy: 1.1606780213742733
Energy: 0.8760474276172419
Energy: 1.1606780243350656
Energy: 1.0804255889687344
Energy: 0.9282385670937585
Energy: 0.9610457426666789
Energy: 0.9282385667102452
Energy: 0.88875984287901
Energy: 0.9863716040369848
Energy: 0.9816501040811882
Energy: 0.9863716036980887
Energy: 1.0848955702290823
Energy: 1.1013646232748628
Energy: 1.073605983542158
Energy: 1.101614699262434
Energy: 1.069094326472822
Energy: 0.9077391006278626
Energy: 0.9429616130060072
Energy: 0.9077558313542612
Energy: 1.1074926314067626
Energy: 0.9774871307779989
Energy: 1.1557693814645162
Energy: 0.977332063287931

minimum gb energy = 0.8327616476303104 eV
minimum distance =  2.24379811757666 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.0983629359986695
Energy: 1.2586103336796686
Energy: 1.2275086034582063
Energy: 1.2586103336779724
Energy: 0.9866551335685173
Energy: 1.2505172952270978
Energy: 1.116287581759956
Energy: 1.2505172970817717
Energy: 1.1086034915464291
Energy: 1.2799749467809984
Energy: 1.2526906879316582
Energy: 1.2799749530020565
Energy: 1.0119876571284812
Energy: 1.4066840513406835
Energy: 0.979118558248332
Energy: 1.4066840513609749
Energy: 1.0858495723555577
Energy: 1.2125541928620964
Energy: 1.3067454606067839
Energy: 1.212554192861808
Energy: 1.1153233547298522
Energy: 1.335323749923834
Energy: 1.1174165529038398
Energy: 1.33532374992329
Energy: 1.113706796570499
Energy: 1.205378458909701
Energy: 1.0316307267261051
Energy: 1.205378458909413
Energy: 1.0638851437893155
Energy: 1.4124004618078874
Energy: 1.0354314425770206
Energy: 1.4124004618152166
Energy: 1.2958401211004043
Energy: 1.3130994677725254
Energy: 0.996284980332793
Energy: 1.3130994680053638

minimum gb energy = 0.979118558248332 eV
minimum distance =  2.32749641194 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.8662664247542953
Energy: 1.0011264682674312
Energy: 1.3053495005747089
Energy: 1.0011218534127138
Energy: 1.0876726807355788
Energy: 1.1774530356241906
Energy: 0.9793546794132676
Energy: 1.1774530356202846
Energy: 0.9920824300927431
Energy: 0.9694715444425153
Energy: 1.0090077988116946
Energy: 0.9694714848346989
Energy: 1.0049448617349912
Energy: 1.234226343964079
Energy: 0.889071927587991
Energy: 1.2342263440952408
Energy: 0.9029334275529228
Energy: 1.101766472800037
Energy: 0.9394895866063241
Energy: 1.101766472769572
Energy: 1.022109718845204
Energy: 0.8249963568828108
Energy: 0.9750312809986208
Energy: 0.8234082816226259
Energy: 0.9672264356743095
Energy: 0.8459363811537394
Energy: 0.9159560491882229
Energy: 0.8459363796616071
Energy: 1.005097831812372
Energy: 1.111551321656502
Energy: 0.9827789726488904
Energy: 1.111551228181501
Energy: 0.8901186852339273
Energy: 1.0735110733887925
Energy: 0.9664226826256231
Energy: 1.0735110731459268
Energy: 0.9043677125381153
Energy: 0.8836695444046794
Energy: 1.001233100941707
Energy: 0.883669771416005
Energy: 1.02485351544281
Energy: 1.2464559571009977
Energy: 0.9773852288106558
Energy: 1.2464559613125858
Energy: 0.9645220472108711
Energy: 1.0070360640865266
Energy: 0.9341543238955566
Energy: 1.0070362505564077
Energy: 1.0122684417293837
Energy: 0.8558999677189771
Energy: 0.9246704393496393
Energy: 0.8558768972235831
Energy: 0.9304910356802935
Energy: 0.9992850851022143
Energy: 0.9130201820250471
Energy: 0.9992851724432963
Energy: 1.0835884624202767
Energy: 1.087087207289423
Energy: 0.977417159704078
Energy: 1.0870898629507904
Energy: 0.8541779697628976
Energy: 1.124180653661515
Energy: 1.2255214866554045
Energy: 1.124180653649798
Energy: 1.0194098468673842
Energy: 1.08305799308495
Energy: 0.9287094588545035
Energy: 1.0830579124345319
Energy: 0.9407162528258541
Energy: 0.9050382410385313
Energy: 0.967896500933051
Energy: 0.904961131100595
Energy: 0.8889033257001213
Energy: 1.0900107262812575
Energy: 0.9920147107911218
Energy: 1.0900107274242883
Energy: 1.0194660920463248
Energy: 1.1775465113651462
Energy: 0.8875495337604687
Energy: 1.177546510897452
Energy: 1.0417799988035463
Energy: 1.2968378727991345
Energy: 0.8852646713063316
Energy: 1.2968378731512897
Energy: 0.9148015564027413
Energy: 0.8166589444479286
Energy: 0.871299222244616
Energy: 0.8166589462000408
Energy: 0.9400643424748877
Energy: 1.1374845842519155
Energy: 1.02651021672339
Energy: 1.1374842346940055
Energy: 0.9474960709110785
Energy: 1.2543991523535643
Energy: 1.0063267372208382
Energy: 1.254399152335598
Energy: 1.0470947441354619
Energy: 1.08604165419448
Energy: 0.9780540597222721
Energy: 1.0860416531926946
Energy: 0.8984698546022879
Energy: 1.3085194960061868
Energy: 0.9179158652607667
Energy: 1.3085194960842303
Energy: 0.9591123168204765
Energy: 1.084974472017077
Energy: 0.9326320370531811
Energy: 1.0849744624444788
Energy: 1.0710600168152125
Energy: 1.3776350507193593
Energy: 0.9029817605675751
Energy: 1.3776350507201405
Energy: 0.975240904733472
Energy: 1.2785181341088139
Energy: 1.0440382224409595
Energy: 1.2785181341064704
Energy: 1.169526101936363
Energy: 0.857106108072496
Energy: 0.9526163595147357
Energy: 0.8571095443800273
Energy: 0.9541958297710426
Energy: 0.8638232521533467
Energy: 1.0278254628005412
Energy: 0.863823276845324
Energy: 0.9979685361783283
Energy: 0.8651193631479634
Energy: 0.9942676663074055
Energy: 0.8565260592830981
Energy: 0.8734956222000493
Energy: 1.3226557211158758
Energy: 1.034784939484734
Energy: 1.3226557211158758

minimum gb energy = 0.8166589444479286 eV
minimum distance =  2.16878757225071 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.9072517228600271
Energy: 0.9786664487130248
Energy: 1.244860942305383
Energy: 0.9786664487141048
Energy: 0.707669433278763
Energy: 1.5236393614749024
Energy: 0.8691214692403502
Energy: 1.5236393614759824
Energy: 0.9296759813721138
Energy: 0.8833028215289702
Energy: 1.4194631766104018
Energy: 0.8833030863609759
Energy: 0.8706190909371944
Energy: 1.1773141368666575
Energy: 0.9038477750305528
Energy: 1.1773141368612572
Energy: 0.9289090724212129
Energy: 1.0323343429639626
Energy: 1.061277765463966
Energy: 1.0323343434022727
Energy: 0.9626958789489838
Energy: 1.3729258039312182
Energy: 0.9122643195308492
Energy: 1.3729258039268981
Energy: 0.93078774737705
Energy: 0.8747968049997349
Energy: 0.8484687105368754
Energy: 0.8747968049954147
Energy: 0.9244049735206751
Energy: 1.1797193205516958
Energy: 0.9406242805330842
Energy: 1.1797193205581762
Energy: 0.8842606865733302
Energy: 1.0739117552757536
Energy: 0.8658661853148337
Energy: 1.0739117570819166
Energy: 0.8700683898747994
Energy: 1.1730179827622762
Energy: 1.031236712794905
Energy: 1.1730179827482352
Energy: 0.9243852403014021
Energy: 1.1596888970996713
Energy: 0.9225843076202108
Energy: 1.1596889159524981
Energy: 0.9241177304510221
Energy: 0.873398035901864
Energy: 0.8591698832577919
Energy: 0.8733980358705421
Energy: 0.9669262503086653
Energy: 1.1901616273102074
Energy: 0.9124259605398243
Energy: 1.1901616118861447
Energy: 0.9288435548842342
Energy: 0.8765744194199842
Energy: 0.8389182723751604
Energy: 0.8765744194124238
Energy: 0.867466227248351
Energy: 1.2008776713884335
Energy: 0.9056436515482205
Energy: 1.2008776713830334
Energy: 0.92828739092773
Energy: 0.8659214206088611
Energy: 1.1686936499763358
Energy: 0.853604947802173
Energy: 0.744067937556471
Energy: 1.4433118202038562
Energy: 0.849524995333311
Energy: 1.4433118202038562
Energy: 0.9072517228600271
Energy: 0.9786664487119446
Energy: 1.3608901694138384
Energy: 0.9786664487130248
Energy: 0.7076694075651676
Energy: 1.5236393614727424
Energy: 0.8691214692414303
Energy: 1.5236393614759824
Energy: 0.9296759813721138
Energy: 0.8833025052655514
Energy: 1.4194631733306378
Energy: 0.8833025644213919
Energy: 0.8706190907007585
Energy: 1.1773141368169746
Energy: 0.9038477750294727
Energy: 1.1773141368061737
Energy: 0.9289090724212129
Energy: 1.0323343425256526
Energy: 1.061277765463966
Energy: 1.0323343427232554
Energy: 0.9626958789489838
Energy: 1.3729258039463392
Energy: 0.912264319528689
Energy: 1.3729258039452592
Energy: 0.93078774737705
Energy: 0.8747968048647758
Energy: 0.8484687105476761
Energy: 0.8747968048885372

minimum gb energy = 0.7076694075651676 eV
minimum distance =  2.28057724027023 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.8011685704453142
Energy: 0.7082940133692893
Energy: 1.4514407608247626
Energy: 0.7082940088938653
Energy: 1.1954318309355334
Energy: 0.9653229421728342
Energy: 0.8459609144825985
Energy: 0.9653231246964611
Energy: 0.8703027070279731
Energy: 0.8295387090850489
Energy: 1.227356214114977
Energy: 0.8305735344725382
Energy: 0.902306540520314
Energy: 1.1805490532010554
Energy: 0.8977580741824561
Energy: 1.180549053200388
Energy: 0.9647185618866619
Energy: 0.960042830879967
Energy: 1.102726578487213
Energy: 0.9600428308092656
Energy: 0.9332398767256878
Energy: 1.1605060847160789
Energy: 0.8635252954794557
Energy: 1.1605060847147437
Energy: 0.8111808974831133
Energy: 1.1116215825130218
Energy: 0.8561741271653978
Energy: 1.1116215825430624
Energy: 0.8777351149442166
Energy: 1.0532987052663303
Energy: 0.8620364339968836
Energy: 1.0532987712966928
Energy: 0.891948838446013
Energy: 1.0635660477583666
Energy: 0.8930706685662148
Energy: 1.0635658420237686
Energy: 0.8857045417357364
Energy: 1.0446813860183148
Energy: 0.869924670292079
Energy: 1.044681343560623
Energy: 0.8700259226212672
Energy: 1.2740773528542535
Energy: 0.8726826229600221
Energy: 1.2740773528542535
Energy: 0.8483988500555372
Energy: 0.8709144680356189
Energy: 0.8835604006281448
Energy: 0.8709144636910378
Energy: 0.9337591352357334
Energy: 1.2182415653192826
Energy: 0.9007193495441371
Energy: 1.2182415653199503
Energy: 0.9360160176838054
Energy: 0.8273058735240986
Energy: 0.7723564821931163
Energy: 0.827323602409034
Energy: 0.8687691928176996
Energy: 1.2741032190897712
Energy: 0.7887504169286078
Energy: 1.274103218894963
Energy: 0.8460298363710917
Energy: 0.8446994282467017
Energy: 1.1517082558090914
Energy: 0.8446720747936302
Energy: 0.8305871802097132
Energy: 1.155297249909895
Energy: 0.9074768115940574
Energy: 1.1552972499185734
Energy: 0.8909876168973536
Energy: 0.8767509529135551
Energy: 0.92730101464195
Energy: 0.8767509532464886
Energy: 0.8250576536967745
Energy: 1.232583829255047
Energy: 0.8747190232647912
Energy: 1.2325838291049054
Energy: 0.8555215044316927
Energy: 0.9753952446598438
Energy: 1.1488831982069163
Energy: 0.9753952446605115
Energy: 1.235109652587446
Energy: 1.0507817625910647
Energy: 0.848765394097541
Energy: 1.050781762585724
Energy: 0.8488366124636108
Energy: 1.019304918137083
Energy: 1.2452132078083966
Energy: 1.0193048498807518
Energy: 1.0932756285589527
Energy: 0.9606971467079549
Energy: 0.8388327909212754
Energy: 0.9606672933033915
Energy: 0.8149734179677405
Energy: 1.077791310329387
Energy: 0.9540426597836476
Energy: 1.0777913103961436
Energy: 0.956485480253704
Energy: 0.7477901053701266
Energy: 0.8887441929225034
Energy: 0.7469950215629393
Energy: 0.8953050776472447
Energy: 0.7240437440579384
Energy: 0.8824395705617658
Energy: 0.7357052156956422
Energy: 1.0346290162795149
Energy: 1.1627609254581528
Energy: 0.8537770751822805
Energy: 1.162760925459488
Energy: 0.7992821662650785
Energy: 1.3680792951365408
Energy: 0.9178304353943159
Energy: 1.3680792951365408
Energy: 0.8071430812542139
Energy: 0.8487929619209674
Energy: 0.9130737017998155
Energy: 0.8487929626429705
Energy: 0.8515744392201694
Energy: 1.1935198988128037
Energy: 0.9071121256708095
Energy: 1.1935198988114688
Energy: 0.8796937895567893
Energy: 0.8405274535456194
Energy: 0.8405663356438091
Energy: 0.8405274536710611
Energy: 0.9097090183199058
Energy: 1.2679539956119594
Energy: 0.8577153017619613
Energy: 1.2679539955886554
Energy: 0.8522775315362799
Energy: 1.065921469308042
Energy: 0.9919002247248755
Energy: 1.0659214689504088
Energy: 0.927113357843867
Energy: 0.9904962952108678
Energy: 0.8143684870204633
Energy: 0.9904962970358115
Energy: 0.906735356722024
Energy: 0.7922596826445104
Energy: 0.8226614953926976
Energy: 0.7922596830902625
Energy: 0.8644924221065995
Energy: 1.0221617880997778
Energy: 0.7849107558110178
Energy: 1.0221617860018601
Energy: 0.8395817816202542
Energy: 1.1895219267950385
Energy: 0.9444093916417751
Energy: 1.1895219269138047
Energy: 1.1587218172222389
Energy: 1.0239032708227764
Energy: 0.8814291393687492
Energy: 1.0239032708594926

minimum gb energy = 0.7082940088938653 eV
minimum distance =  2.25747677784136 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.8252566894383664
Energy: 0.8958492607155117
Energy: 1.6923450150720942
Energy: 0.8958492607172585
Energy: 0.7489606505164826
Energy: 0.6555683808374947
Energy: 0.8154713237458697
Energy: 0.6555683808374947
Energy: 0.7958753190039081
Energy: 0.7459375646606974
Energy: 1.7000113021952783
Energy: 0.7459375646606974
Energy: 0.8300334578916807
Energy: 0.8378381218708728
Energy: 0.7875449297785045
Energy: 0.837838121876113
Energy: 0.7986413862607891
Energy: 0.8840790198148858
Energy: 1.5978013533887723
Energy: 0.8840790198410862
Energy: 0.7491939586882702
Energy: 0.8452223520848755
Energy: 0.8183499731487601
Energy: 0.8452223521233029
Energy: 0.8225157630823554
Energy: 0.7357594207389737
Energy: 0.7408612744418004
Energy: 0.7357594207389737
Energy: 0.9132365999418982
Energy: 0.6693032559903817
Energy: 0.7747631436874758
Energy: 0.6604535780827626
Energy: 0.79573947157982
Energy: 0.8885902024821045
Energy: 0.8152891096570717
Energy: 0.8885902024698776
Energy: 0.7149709078872215
Energy: 1.0659157567642967
Energy: 0.8361035509600134
Energy: 1.0660070460977873
Energy: 0.7988016021549974
Energy: 0.7446975837225472
Energy: 0.7840084808832211
Energy: 0.7446975842742654
Energy: 0.7576935664978568
Energy: 0.7409123277312325
Energy: 0.8031706109111489
Energy: 0.7409123277259925
Energy: 0.7919142925708864
Energy: 0.7689812632450048
Energy: 0.807576006749977
Energy: 0.8090237244375638
Energy: 0.7958149058856997
Energy: 0.9029186930784746
Energy: 0.7662715664159049
Energy: 0.9029186930767279
Energy: 0.8616690597918429
Energy: 0.8561203597668527
Energy: 0.792551208026933
Energy: 0.8561203597458924

minimum gb energy = 0.6555683808374947 eV
minimum distance =  2.31020168694862 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.5370366338404099
Energy: 1.0506895139748462
Energy: 1.268604863386935
Energy: 1.050689514036343
Energy: 1.1119959968359299
Energy: 0.9534115462315299
Energy: 0.6979410407132581
Energy: 0.9534118049809052
Energy: 0.64248844365249
Energy: 1.1092428414736892
Energy: 1.3953099437294207
Energy: 1.1092428414766178
Energy: 0.8305146273860308
Energy: 0.9719040974888384
Energy: 0.7001156972193481
Energy: 0.9719040974881065
Energy: 0.6372007854699266
Energy: 1.0850793268421517
Energy: 1.0330061026786366
Energy: 1.0850740529755978
Energy: 0.9350107994481922
Energy: 0.7415460774226772
Energy: 0.6105170434515234
Energy: 0.741545967204851
Energy: 0.6415353478614487
Energy: 1.1873165256224998
Energy: 0.9738869058334535
Energy: 1.1873165257044955
Energy: 0.7413488475961633
Energy: 0.9804631915666523
Energy: 0.6366028405796545
Energy: 0.9804627024968081
Energy: 0.6411857808693573
Energy: 1.035262447431939
Energy: 0.8344224634065172
Energy: 1.035262447431207
Energy: 0.9498586582345702
Energy: 1.1420819869582826
Energy: 0.7050077269239653
Energy: 1.142081986962675
Energy: 0.6372270791295152
Energy: 0.7770441925013237
Energy: 0.7050469248995352
Energy: 0.7770441925254831
Energy: 0.970194972776255
Energy: 1.045273254558338
Energy: 0.6790966558702135
Energy: 1.0452732887815235
Energy: 0.5420164035777162
Energy: 0.9644337511355238
Energy: 0.7200934480451802
Energy: 0.9644337183642359
Energy: 1.016019988193081
Energy: 0.7803737047585808
Energy: 0.7026526471685066
Energy: 0.7803737044834423
Energy: 0.6317839565493147
Energy: 1.050180710527318
Energy: 0.7068879156551168
Energy: 1.050180710835401
Energy: 0.6974379988265024
Energy: 0.7798799382428466
Energy: 0.6811207206409013
Energy: 0.7798799382640778
Energy: 0.6929130528632333
Energy: 1.174952766929881
Energy: 0.6856714506747387
Energy: 1.1749527669284168
Energy: 0.6994899539261898
Energy: 1.0265163038887746
Energy: 0.6210984207184991
Energy: 1.0265163038536336
Energy: 0.6820789825548526
Energy: 1.1269711492954848
Energy: 0.6199713544907147
Energy: 1.126971261260047
Energy: 0.7095803848890975
Energy: 1.1622310489342154
Energy: 0.6355204723184359
Energy: 1.1622310489239656
Energy: 0.6774865495034341
Energy: 1.0335794100183455
Energy: 0.617161430813087
Energy: 1.0335794100198097
Energy: 0.6939783135806911
Energy: 0.8483705956345187
Energy: 0.6829958010574938
Energy: 0.8483706099284053
Energy: 0.6970206366272448
Energy: 0.7630282282758771
Energy: 0.6729095181227049
Energy: 0.763028228212184
Energy: 0.6420303873086468
Energy: 1.040251548390503
Energy: 0.7119916997146765
Energy: 1.0402515483926995
Energy: 1.0152877623080594
Energy: 0.7507438499117555
Energy: 0.6861847610745025
Energy: 0.7507438499037024
Energy: 0.5666157449175568
Energy: 1.0135709628835052
Energy: 0.7576846933232907
Energy: 1.013570962895219
Energy: 0.9717310206645913
Energy: 1.1040650888597585
Energy: 0.6835125124952327
Energy: 1.1040650888590264
Energy: 0.640435042238415
Energy: 0.7658092617267193
Energy: 0.7415477280566211
Energy: 0.7658092614991677
Energy: 0.9555018268406816
Energy: 0.8068327642484849
Energy: 0.7044628795666423
Energy: 0.8068327643260881
Energy: 0.6398149158981642
Energy: 1.0271904916019863
Energy: 1.057729863050169
Energy: 1.0271904913532035
Energy: 0.7693131697965534
Energy: 0.9305703924715204
Energy: 0.6207380870051528
Energy: 0.9305703934418258
Energy: 0.6470327132946165
Energy: 1.0529249159235543
Energy: 1.1841065409594647
Energy: 1.0529249158796947
Energy: 0.7128119750576126
Energy: 0.7878287579276039
Energy: 0.6245905373545892
Energy: 0.787828757963477
Energy: 0.636516035584764
Energy: 1.1084666511444403
Energy: 1.0783361394042703
Energy: 1.1084666510808137
Energy: 0.9826916286383338
Energy: 0.9268092547695018
Energy: 0.6982801110548099
Energy: 0.9268092549429442

minimum gb energy = 0.5370366338404099 eV
minimum distance =  2.16205696382622 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.45728138415931613
Energy: 0.4594044978343942
Energy: 1.4916276172885743
Energy: 0.4594044978343942
Energy: 1.0916435159537337
Energy: 0.7951346982558803
Energy: 0.6024493274395023
Energy: 0.7951346989395072
Energy: 0.5362831069215931
Energy: 0.8289382343910328
Energy: 1.5317377931288563
Energy: 0.828935816967365
Energy: 0.581609634420167
Energy: 0.8136080232815069
Energy: 0.6014269574871929
Energy: 0.8136080232777283
Energy: 0.5901896495569747
Energy: 0.7976712688008559
Energy: 0.5703613218350125
Energy: 0.7976717612808951
Energy: 0.6605943711484976
Energy: 0.7635579186111928
Energy: 0.6190409340939534
Energy: 0.7635579186187501
Energy: 0.4700354961537162
Energy: 1.1343367311026002
Energy: 0.8106511788703757
Energy: 1.1343367311013406
Energy: 0.5953034559650507
Energy: 0.4436308798176579
Energy: 0.45632958915975513
Energy: 0.44363087981891747
Energy: 0.5969488220381038
Energy: 0.8146631576530594
Energy: 0.8727598283389597
Energy: 0.8146631576606168
Energy: 1.1198810714321406
Energy: 1.0787686974698139
Energy: 0.6189044659915409
Energy: 1.0787687067184573
Energy: 0.49519042276946057
Energy: 1.0797584058608003
Energy: 0.5642478047304517
Energy: 1.0797584058494645
Energy: 0.9102750064612437
Energy: 0.841201924578409
Energy: 0.6023447889712822
Energy: 0.8412019244336167
Energy: 0.6253416063345609
Energy: 0.7736235786242791
Energy: 0.6462665381956623
Energy: 0.7736235786431438
Energy: 0.8055635173471337
Energy: 1.121892242897279
Energy: 0.6186446315588613
Energy: 1.1218922428242533
Energy: 0.4637235586598128
Energy: 0.4851657133403928
Energy: 0.5858582496830143
Energy: 0.48516571297022487
Energy: 0.46373039222960716
Energy: 0.7969695593391497
Energy: 0.6024085258130027
Energy: 0.7969695591352152
Energy: 0.6039506930866553
Energy: 0.8909147587276303
Energy: 0.7151257999663626
Energy: 0.8909147587162943
Energy: 0.5337507550016953
Energy: 1.056024037070385
Energy: 0.6083170878291853
Energy: 1.056024037070385
Energy: 0.5919472608753796
Energy: 0.47270166961769633
Energy: 0.5902498745182536
Energy: 0.472701708654334
Energy: 0.5854115743687556
Energy: 0.789260481202593
Energy: 0.5965869813604632
Energy: 0.7892604811950356

minimum gb energy = 0.4436308798176579 eV
minimum distance =  2.23620433945378 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.20260709201026475
Energy: 0.9784152207382999
Energy: 1.3877165335450006
Energy: 0.9784152207432176
Energy: 1.1543918209884552
Energy: 0.7870672157123376
Energy: 0.36410891121147165
Energy: 0.787067216780967
Energy: 0.3127660836491666
Energy: 0.2919905246067928
Energy: 1.4034111117004309
Energy: 0.2919905258415978
Energy: 0.6646692269601859
Energy: 0.5436382013145347
Energy: 0.3209014799425646
Energy: 0.5436384161321505
Energy: 0.30784930145455597
Energy: 0.8664203220874909
Energy: 0.4771233175444931
Energy: 0.8664203239318299
Energy: 0.47065421637987226
Energy: 0.8234798749010782
Energy: 0.3095642646235681
Energy: 0.823479874904029
Energy: 0.3281242338916485
Energy: 0.5520612708720433
Energy: 0.7526424919873009
Energy: 0.5520613293163189
Energy: 0.5873109326797238
Energy: 0.5416094581350083
Energy: 0.3291635792005337
Energy: 0.5416094581350083
Energy: 0.3255243140041585
Energy: 0.26602220751097944
Energy: 0.931346751522259
Energy: 0.28595220000939764
Energy: 0.49092315232795275
Energy: 0.9393379320682114
Energy: 0.22426767909907538
Energy: 0.939337932046618
Energy: 0.33048763349858834
Energy: 0.6109476320637256
Energy: 0.858867886920047
Energy: 0.6109476318720223
Energy: 0.9098921177499566
Energy: 0.8150320978732774
Energy: 0.3135797749284984
Energy: 0.8150320990530034
Energy: 0.312666526582994
Energy: 0.33482316596284306
Energy: 0.7388535158288225
Energy: 0.3348238388660524
Energy: 0.7996486410234335
Energy: 0.9752546774898394
Energy: 0.3265417770893383
Energy: 0.9752546774898394
Energy: 0.3239507983250704
Energy: 0.6233099201579335
Energy: 0.48971255459641677
Energy: 0.6233099200645407
Energy: 0.7342613449764045
Energy: 0.8224149019179708
Energy: 0.33637668992268627
Energy: 0.8224149019199379
Energy: 0.31957097198715595
Energy: 0.25729847957192514
Energy: 0.5403428270040013
Energy: 0.2572984604945908
Energy: 0.5212991092376668
Energy: 0.8748685766016743
Energy: 0.29972616470107183
Energy: 0.874868576593806
Energy: 0.22825076527876884
Energy: 0.9567838826835275
Energy: 0.4926092396654251
Energy: 0.9567838826845111
Energy: 0.8675994629368594
Energy: 0.8337785430298366
Energy: 0.33257732963743974
Energy: 0.833778542832232
Energy: 0.30745162677327226
Energy: 0.8216976660739128
Energy: 0.546285797325221
Energy: 0.8216976660483853
Energy: 0.3493911155334138
Energy: 0.5346005385843545
Energy: 0.3079027948200705
Energy: 0.5346006456839694
Energy: 0.3300696776699248
Energy: 0.6489204883089013
Energy: 0.779332892994725
Energy: 0.6489204903616639
Energy: 0.48372529496226846
Energy: 0.7527912452852872
Energy: 0.319820397652551
Energy: 0.7527912499295307
Energy: 0.3466353745137504
Energy: 0.8492752550058758
Energy: 0.7450244582654965
Energy: 0.8492752551100875
Energy: 0.4834051835173356
Energy: 0.5006954308720006
Energy: 0.32551027783406117
Energy: 0.5006954330211066

minimum gb energy = 0.20260709201026475 eV
minimum distance =  2.24187773129355 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.7786519019798717
Energy: 0.7023571457695719
Energy: 1.2018810856442539
Energy: 0.7023571457840863
Energy: 1.1593052991203971
Energy: 0.7837472997461724
Energy: 0.3105947071149983
Energy: 0.7837472997663312
Energy: 0.08518491254612287
Energy: 0.802362130847901
Energy: 1.1274897759148377
Energy: 0.8023621308470945
Energy: 0.7526209357368971
Energy: 0.7821923287510519
Energy: 0.3126494438308026
Energy: 0.7821923287510519
Energy: 0.29790555450868944
Energy: 0.5540360007474537
Energy: 0.394076972009369
Energy: 0.5540356228340488
Energy: 0.6033458916885508
Energy: 0.759066502772055
Energy: 0.3121105812269652
Energy: 0.7590665027479012
Energy: 0.30981232376596124
Energy: 0.7248489142638093
Energy: 0.3574610987680474
Energy: 0.7248489173942855
Energy: 0.4213275046667474
Energy: 0.06634941215288197
Energy: 0.3144237980638785
Energy: 0.06634831044201088
Energy: 0.30615552740718116
Energy: 0.6967707786995233
Energy: 0.8344932464570796
Energy: 0.6967707786721441
Energy: 0.6977103362301835
Energy: 0.8238507627347069
Energy: 0.141371840614091
Energy: 0.8238507627314815
Energy: 0.31568688499942577
Energy: 0.7739330764407677
Energy: 0.8958807881414939
Energy: 0.7739330762280009
Energy: 0.3834956576439647
Energy: 0.7180536276001087
Energy: 0.7634391475912561
Energy: 0.7180536276944152
Energy: 0.31747368353395006
Energy: 0.7724164398444602
Energy: 0.9574126297528064
Energy: 0.7724164424155853
Energy: 0.7588896540182397
Energy: 0.7735357999048169
Energy: 0.12879137603511837
Energy: 0.7735357998999788
Energy: 0.29993894472753013
Energy: 0.5696244420818588
Energy: 0.7861952113833995
Energy: 0.5696244420302524
Energy: 0.6658326578593264
Energy: 0.7022241733636048
Energy: 0.314936007662053
Energy: 0.7022242028919758
Energy: 0.3167386932903027
Energy: 0.7528870849858327
Energy: 0.5957092902725524
Energy: 0.7528870849785756
Energy: 0.6438389089750532
Energy: 0.7762036427047687
Energy: 0.31649005003987213
Energy: 0.7762039995422718
Energy: 0.31508635802395873
Energy: 0.08874187882886972
Energy: 0.42127049853040277
Energy: 0.08875300197162653
Energy: 0.5137382964493654
Energy: 0.738524321122123
Energy: 0.31779713338735277
Energy: 0.7385243210705166
Energy: 0.08860124221162094
Energy: 0.7762478512767544
Energy: 0.4451408505649624
Energy: 0.7762478506626079
Energy: 0.8967032137677882
Energy: 0.7118986512137427
Energy: 0.30924786410461336
Energy: 0.7118986411759132
Energy: 0.7488388536884082
Energy: 0.7115712388248376
Energy: 0.3969420770719702
Energy: 0.7115712388151615
Energy: 0.6261182593108992
Energy: 0.7697288747823443
Energy: 0.32713436741997326
Energy: 0.769728875963136
Energy: 0.12377059393113286
Energy: 0.7450568658186557
Energy: 0.4926163411114618
Energy: 0.7450568686597618
Energy: 0.8150971121891399
Energy: 0.7550870976970917
Energy: 0.3170112591048763
Energy: 0.7550871527537074
Energy: 0.3112636390088328
Energy: 0.6864381473354048
Energy: 0.6662026360959252
Energy: 0.6864381472685142
Energy: 0.3332915858681874
Energy: 0.7479837794894094
Energy: 0.32033914164101374
Energy: 0.7479837794627999
Energy: 0.3118927915324595
Energy: 0.8135824448073334
Energy: 0.6455663468454396
Energy: 0.8135824446856478
Energy: 0.40588557609187426
Energy: 0.6778042088258712
Energy: 0.3120366536171051
Energy: 0.6778042088621571
Energy: 0.3300667408937323
Energy: 0.6886255253139527
Energy: 0.49642048217194745
Energy: 0.6886255252929875
Energy: 0.4015077694398118
Energy: 0.744947927734287
Energy: 0.1383061298361326
Energy: 0.7449479161038032

minimum gb energy = 0.06634831044201088 eV
minimum distance =  2.22443786116605 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.569590820742333
Energy: 0.7187445615080044
Energy: 0.5158111829363139
Energy: 0.7187445614732285
Energy: 1.0758778814978354
Energy: 0.7371513304758482
Energy: 0.15192622377215287
Energy: 0.7371513304751652
Energy: 0.044455515822035295
Energy: 0.5815482026380533
Energy: 1.1162417628768015
Energy: 0.5815482032757516
Energy: 0.7743540002896089
Energy: 0.6794196997344145
Energy: 0.15645447181124467
Energy: 0.6794196997371469
Energy: 0.15854429049035457
Energy: 0.7614202805804954
Energy: 0.7766000262334133
Energy: 0.7614202805825446
Energy: 0.6515025587196854
Energy: 0.6551012170598853
Energy: 0.1450835950703255
Energy: 0.6551012171909771
Energy: 0.15665999603862962
Energy: 0.506164963641498
Energy: 0.26890172339770824
Energy: 0.5061649783474347
Energy: 0.5124208826329701
Energy: 0.5733224561466623
Energy: 0.1596951164850182
Energy: 0.573322455775184
Energy: 0.1250550815770726
Energy: 0.697405144530511
Energy: 0.47044633942873487
Energy: 0.6974051440982995
Energy: 0.32749723682479026
Energy: 0.6656618314072306
Energy: 0.15789204754822478
Energy: 0.6656618313451312
Energy: 0.15293969698332943
Energy: 0.674242068706745
Energy: 0.8402221856826643
Energy: 0.6742420687026465
Energy: 0.5768303377077502
Energy: 0.5559353428440889
Energy: 0.05722920944059471
Energy: 0.555935342579173
Energy: 0.1694315808910795
Energy: 0.7083805892693521
Energy: 0.9361259040530077
Energy: 0.7083805891430419
Energy: 0.35385053519414633
Energy: 0.7630889632981138
Energy: 0.5323364197600753
Energy: 0.7630889634919881
Energy: 0.15132014745278521
Energy: 0.6709475215227606
Energy: 0.8992230836774349
Energy: 0.670947521466064
Energy: 0.6440084585674273
Energy: 0.5819316725464245
Energy: 0.07698949352903868
Energy: 0.5819316739365809
Energy: 0.18211197482096306
Energy: 0.7117180467111932
Energy: 0.797749458683138
Energy: 0.7117180467132425
Energy: 0.5634769253495113
Energy: 0.749953720402969
Energy: 0.156369945638167
Energy: 0.7499537204016029
Energy: 0.1890629081486183
Energy: 0.6732644226948573
Energy: 0.6510726264669087
Energy: 0.6732644226750476
Energy: 0.539791527101268
Energy: 0.6151264399948229
Energy: 0.1549375649245933
Energy: 0.6151264419298391
Energy: 0.16145045527889496
Energy: 0.6259156641340542
Energy: 0.511447840769163
Energy: 0.6259156641415683
Energy: 0.45433963348801626
Energy: 0.6238799745217064
Energy: 0.15701948668508925
Energy: 0.6238799755274678
Energy: 0.14893058377301835
Energy: 0.6623420541253888
Energy: 0.33482571696639396
Energy: 0.6623420541247057
Energy: 0.8549266418232259
Energy: 0.6196151413963146
Energy: 0.15616169470439453
Energy: 0.6196151414105975
Energy: 0.04353635977221766
Energy: 0.6783636195448274
Energy: 0.3814683783924466
Energy: 0.6783636195304825
Energy: 0.6843948032012432
Energy: 0.716252437080924
Energy: 0.1778986244133304
Energy: 0.7162524370802409
Energy: 0.4976838495175156
Energy: 0.7276907561452454
Energy: 0.34630791162970853
Energy: 0.7276907562074069
Energy: 0.8869597481679171
Energy: 0.6714404328895887
Energy: 0.15039528086100648
Energy: 0.671440432899835
Energy: 0.02705715665721684
Energy: 0.6481942537521267
Energy: 0.37269068984163367
Energy: 0.6481942537596407
Energy: 0.5843577393107992
Energy: 0.7252426205775803
Energy: 0.16504330545593987
Energy: 0.7252426205789465
Energy: 0.15769042729405633
Energy: 0.737897734554374
Energy: 0.5555906441298015
Energy: 0.7378977345502754
Energy: 0.6456210718364629
Energy: 0.6654704834480542
Energy: 0.19230738602444059
Energy: 0.6654700902587887
Energy: 0.13615601990148363
Energy: 0.6016468374676045
Energy: 0.5433661089435027
Energy: 0.6016468374703369
Energy: 0.2653333954955609
Energy: 0.6460528254451469
Energy: 0.16754572757230535
Energy: 0.6460528254424145
Energy: 0.23135664298134173
Energy: 0.7096904659764994
Energy: 0.4533819134967683
Energy: 0.7096904659737672
Energy: 0.3494289661752739
Energy: 0.6693622945550856
Energy: 0.16182730726964042
Energy: 0.6693622947353601
Energy: 0.15632122549861718
Energy: 0.6095040832288511
Energy: 0.8221086356631174
Energy: 0.6095040831953794

minimum gb energy = 0.02705715665721684 eV
minimum distance =  2.26383208198532 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.4485558638292758
Energy: 0.5799144693562338
Energy: 0.6089978616190321
Energy: 0.5799141330071188
Energy: 1.0184808013344604
Energy: 0.5100495419275265
Energy: 0.11502987633221909
Energy: 0.5100495406578841
Energy: 0.46271306346005214
Energy: 0.46744293733391257
Energy: 0.5318011897540119
Energy: 0.467442937553603
Energy: 0.7084343057019065
Energy: 0.5289136176879654
Energy: 0.09913719123447007
Energy: 0.5289136086820321
Energy: 0.09742480256993435
Energy: 0.4870756891257454
Energy: 0.2405795478501244
Energy: 0.4870756891760765
Energy: 0.5810746375135607
Energy: 0.5477498170357654
Energy: 0.09097914747678525
Energy: 0.5477498170789871
Energy: 0.1084565340802206
Energy: 0.44286589556738304
Energy: 0.18789108493243725
Energy: 0.4428659509105966
Energy: 0.4747803270811801
Energy: 0.5380405905699152
Energy: 0.11824263859303323
Energy: 0.5380405775323746
Energy: 0.09055574686470311
Energy: 0.46315138590976185
Energy: 0.31264209150616956
Energy: 0.46315138597490413
Energy: 0.39882659322759884
Energy: 0.5212008319909458
Energy: 0.09870346241518126
Energy: 0.5212008319625352
Energy: 0.10393535776261323
Energy: 0.5629405799098802
Energy: 0.6418757502098639
Energy: 0.5629405800881263
Energy: 0.23534942795664893
Energy: 0.5383065432004498
Energy: 0.10214500148683087
Energy: 0.5383065431518961
Energy: 0.10565931038952013
Energy: 0.4566163372918922
Energy: 0.729597845518885
Energy: 0.4566163372936696
Energy: 0.3157001077427113
Energy: 0.5069846019859139
Energy: 0.4618796974470098
Energy: 0.5069846011698979
Energy: 0.10553837786999462
Energy: 0.5275701638941589
Energy: 0.8257696522278765
Energy: 0.5275701638947513
Energy: 0.23227011963507344
Energy: 0.5942427900300418
Energy: 0.457072332625597
Energy: 0.5942427900300418
Energy: 0.10848883962977612
Energy: 0.3186876708661012
Energy: 0.7954135584022075
Energy: 0.31868767114444396
Energy: 0.5150762564280817
Energy: 0.491073878065358
Energy: 0.4608109230960735
Energy: 0.49107388021319665
Energy: 0.09307605991259804
Energy: 0.5336266615497929
Energy: 0.7002266805545265
Energy: 0.5336266615716867
Energy: 0.4171859231987234
Energy: 0.5900909748436622
Energy: 0.0892099904723858
Energy: 0.5900909748466244
Energy: 0.11478113016559592
Energy: 0.27427158365681725
Energy: 0.6092292977213423
Energy: 0.2743452009195933
Energy: 0.407917510264613
Energy: 0.4865537717065642
Energy: 0.09359536029914722
Energy: 0.4865537716923455
Energy: 0.08368743582112237
Energy: 0.53356932073189
Energy: 0.5587152664869585
Energy: 0.533569349705118
Energy: 0.32603507903329143
Energy: 0.5328720558417593
Energy: 0.10518990970971702
Energy: 0.5328720759263049
Energy: 0.09857472866573246
Energy: 0.09042513012230338
Energy: 0.39904340589656995
Energy: 0.089195504877706
Energy: 0.6367377821636239
Energy: 0.49448690926354744
Energy: 0.10464159718010113
Energy: 0.49448690918362087
Energy: 0.09330809600705735
Energy: 0.5369745590546933
Energy: 0.2158072005444961
Energy: 0.5369745656954675
Energy: 0.5891438712397842
Energy: 0.5721076362451585
Energy: 0.09035498557957486
Energy: 0.5721076356973867
Energy: 0.40969857518935926
Energy: 0.2744332447231466
Energy: 0.27571200626496417
Energy: 0.2744319930145482
Energy: 0.8281634259616952
Energy: 0.5066531332274044
Energy: 0.1062605622160796
Energy: 0.5066531332345138
Energy: 0.4177456146109921
Energy: 0.582537648299508
Energy: 0.18827005345473297
Energy: 0.5825376484819011
Energy: 0.6486168769814288
Energy: 0.5817762570502087
Energy: 0.11682299212497191
Energy: 0.5817762470038025
Energy: 0.45099420566647763
Energy: 0.2949963512319383
Energy: 0.3224798631840903
Energy: 0.2949963521794238
Energy: 0.6835522253553368
Energy: 0.525014717615712
Energy: 0.07646857531819791
Energy: 0.5250147131766891
Energy: 0.10132161440571981
Energy: 0.5779103129198663
Energy: 0.392743159745909
Energy: 0.5779103154165219
Energy: 0.44224647833263386
Energy: 0.5499731513370822
Energy: 0.1079637971664292
Energy: 0.5499731481677019
Energy: 0.07241740200985702
Energy: 0.5078533038259955
Energy: 0.40296153834536574
Energy: 0.5078533038099994
Energy: 0.4986197598700972
Energy: 0.5274849894004032
Energy: 0.12478025113756565
Energy: 0.5274810521126141
Energy: 0.10068687323453468
Energy: 0.603625070200821
Energy: 0.3341490512659078
Energy: 0.6036250701978587
Energy: 0.18100808716927577
Energy: 0.5398299966242435
Energy: 0.10353356489142124
Energy: 0.5398299966052852
Energy: 0.10298551596929265
Energy: 0.5085684974352053
Energy: 0.655911586659483
Energy: 0.5085684974038055
Energy: 0.22894879135120935
Energy: 0.5796553618229937
Energy: 0.09295380548983333
Energy: 0.5796553618354352
Energy: 0.099332102911508
Energy: 0.586667089660489
Energy: 0.595190358337278
Energy: 0.5866670896587115

minimum gb energy = 0.07241740200985702 eV
minimum distance =  2.24216919651258 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.019079701634961407
Energy: 0.05629098263614494
Energy: 0.09723546504796392
Energy: 0.05629098263614494
Energy: 0.09176529467371507
Energy: -0.7586996121402791
Energy: -0.6797919618838416
Energy: -0.7586995819341279
Energy: 0.019079701634505966
Energy: 0.05629098263660038
Energy: 0.0972354638594598
Energy: 0.05629098263660038
Energy: 0.09176529467371507
Energy: -0.7586995835935096
Energy: -0.67979196234809
Energy: -0.7586992046092235
Energy: 0.019079701634961407
Energy: 0.05629098263660038
Energy: 0.09723545711986321
Energy: 0.05629098263705583
Energy: 0.09176529467417051
Energy: -0.7586994656556042
Energy: -0.6797919617721064
Energy: -0.7586995240839459

minimum gb energy = -0.7586996121402791 eV
minimum distance =  2.4611186136537 Angstroms
sigma value = 1