Model name: model_name=MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850997865200043
cohesive_energy=4.280336178503189
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: 0.013295471439448583
Energy: 0.013929805529817835
Energy: 2.9467103634303267
Energy: 0.013929805529817835
Energy: 0.013929805529817835
Energy: 0.013815509842662938
Energy: 0.3832862088636916
Energy: 0.013815509842662938
Energy: 2.9467103634303267
Energy: 0.3832862088636916
Energy: 0.3831536368756925
Energy: 0.3832862088636916
Energy: 0.013929805529817835
Energy: 0.013815509842662938
Energy: 0.3832862088636916
Energy: 0.013815509842662938

minimum gb energy = 0.013295471439448583 eV
minimum distance =  2.46631056280193 Angstroms
sigma value = 1


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

Energy: 1.6150762950673416
Energy: 1.2926154662443976
Energy: 1.0782503856271926
Energy: 1.2926154662431744
Energy: 1.674356772843308
Energy: 1.0936497042978752
Energy: 1.00979910155649
Energy: 1.0936497042990982
Energy: 1.9028054653601365
Energy: 1.009008325542626
Energy: 1.012044901138956
Energy: 1.009008325542626
Energy: 1.4662145122951706
Energy: 1.0919779574478676
Energy: 1.0550593051624788
Energy: 1.0919779574478676
Energy: 1.4635240039064068
Energy: 1.0918450930642336
Energy: 1.4487777457854585
Energy: 1.0918450930642336
Energy: 1.6504440433689755
Energy: 0.985414944052978
Energy: 0.9849994977871881
Energy: 0.985414944055424
Energy: 1.2064684934564376
Energy: 1.1405419919575543
Energy: 0.9850307675629552
Energy: 1.1405419919575543
Energy: 0.9846205010608313
Energy: 0.9833956584969608
Energy: 1.4487327227426714
Energy: 0.9833956584957378
Energy: 1.243735562797149
Energy: 1.0965555345851923
Energy: 1.437602056324488
Energy: 1.0965555345839693
Energy: 1.6742751748156586
Energy: 0.9853132429269329
Energy: 1.2870123673997471
Energy: 0.9853132429269329
Energy: 0.9932431541921346
Energy: 1.1307090274594307
Energy: 1.3458711131927497
Energy: 1.1307090274582077
Energy: 0.9932022107156298
Energy: 0.9935130655623381
Energy: 2.175368486098884
Energy: 0.9935130655623381
Energy: 1.2082485844079383
Energy: 1.13060509784871
Energy: 1.4666924285762681
Energy: 1.13060509784871
Energy: 1.0074057070269233
Energy: 1.1310778981058294
Energy: 1.4475779348652533
Energy: 1.1310778981058294
Energy: 1.036283153346444
Energy: 1.0973621740274746
Energy: 1.6564048277448775
Energy: 1.0973621740262516
Energy: 1.035973200983911
Energy: 1.0972561218414285
Energy: 1.657504885793661
Energy: 1.0972561218414285
Energy: 1.0060119701109933
Energy: 1.1310560119705584
Energy: 1.457504478104105
Energy: 1.1310560119693356
Energy: 1.2144610637218265
Energy: 1.1306496411877396
Energy: 1.465811914416662
Energy: 1.1306496411865166
Energy: 0.9975134559576609
Energy: 0.9932420708392456
Energy: 2.2418031122437814
Energy: 0.9932420708392456
Energy: 0.9933160883459742
Energy: 1.1307382268987638
Energy: 1.2415649736701384
Energy: 1.1307382268975408
Energy: 1.6737585869473939
Energy: 0.9858322329434391
Energy: 1.2871892994063303
Energy: 0.9858322329422161
Energy: 1.2436051088463058
Energy: 0.9844181530221161
Energy: 1.4371924354329153
Energy: 0.9844181530221161
Energy: 1.115462901609936
Energy: 0.9838407908627775
Energy: 1.1976085869280817
Energy: 0.9838407908640006
Energy: 1.441313676863801
Energy: 1.140815469697639
Energy: 0.9849125175750335
Energy: 1.140815469696416
Energy: 1.6602894686022474
Energy: 0.9855837571015132
Energy: 0.9848488151295847
Energy: 0.9855837571015132
Energy: 1.4399186742345513
Energy: 1.1355857698459575
Energy: 1.4485990416712151
Energy: 1.1355857698459575
Energy: 1.4635863475518704
Energy: 0.9841483540500707
Energy: 1.023947418572207
Energy: 0.9841483540512938
Energy: 1.904512704280393
Energy: 1.0086179725334612
Energy: 1.0090032800377153
Energy: 1.0086179725346842
Energy: 1.665578622602079
Energy: 1.0930183316991289
Energy: 1.0090603122921364
Energy: 1.0930183316991289
Energy: 1.6109227932118357
Energy: 1.1343917849759506
Energy: 1.0083166211920527
Energy: 1.1343917849747278
Energy: 1.6765844718951433
Energy: 1.0935584977949449
Energy: 1.060049856055939
Energy: 1.0935584977949449
Energy: 1.6504365865102495
Energy: 1.106345958111258
Energy: 0.9950986785445746
Energy: 1.106345958111258
Energy: 1.4636444411127438
Energy: 1.1356605021859885
Energy: 1.0563637918867859
Energy: 1.1356605021847654

minimum gb energy = 0.9833956584957378 eV
minimum distance =  2.32771262431218 Angstroms
sigma value = 1


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

Energy: 1.6298488377474547
Energy: 1.0525857991915137
Energy: 1.1210506755823961
Energy: 1.0525857991984857
Energy: 1.5665261605099994
Energy: 1.0310313050334146
Energy: 1.1000899627818257
Energy: 1.0310313050320203
Energy: 1.5433818065208635
Energy: 1.0664778461329936
Energy: 1.0686778803783366
Energy: 1.0664778461329936
Energy: 1.030898085038126
Energy: 1.0450309229330172
Energy: 1.100742234018021
Energy: 1.0450309229330172
Energy: 1.0310469054663232
Energy: 1.0451023704139077
Energy: 1.5828295241615409
Energy: 1.0451023704139077
Energy: 1.5437055253138179
Energy: 1.0449891055368965
Energy: 1.044587696534204
Energy: 1.0449891055368965
Energy: 1.1026666345246046
Energy: 1.1074996728646862
Energy: 1.0448408084719425
Energy: 1.1074996728646862
Energy: 1.0445922138210517
Energy: 1.044843924652795
Energy: 1.5835673056919601
Energy: 1.044843924652795
Energy: 1.0679121123008917
Energy: 1.031257150111957
Energy: 1.5449101401444238
Energy: 1.0312571501105627
Energy: 1.1006712371241543
Energy: 1.0315584887387204
Energy: 1.0308575765532628
Energy: 1.0315584887387204
Energy: 1.0474058499790417
Energy: 1.1237416873506807
Energy: 1.5457637211236992
Energy: 1.1237416873506807
Energy: 1.0455913093352296
Energy: 1.046376580200325
Energy: 2.079205194655595
Energy: 1.046376580200325
Energy: 1.1004559670195255
Energy: 1.1071793311299867
Energy: 1.5662825813481813
Energy: 1.1071793311299867
Energy: 1.1004559670195255
Energy: 1.1070590671930713
Energy: 1.5653155789465334
Energy: 1.1070590671930713
Energy: 1.0456064040268234
Energy: 1.0463772368713953
Energy: 2.079057145402496
Energy: 1.0463772368713953
Energy: 1.0474509722648826
Energy: 1.123666754017966
Energy: 1.5454774919461174
Energy: 1.123666754017966
Energy: 1.1006712371255487
Energy: 1.0312538849708173
Energy: 1.030959116579831
Energy: 1.0312538849708173
Energy: 1.066427022793368
Energy: 1.0312791080509223
Energy: 1.5449886790750804
Energy: 1.0312791080509223
Energy: 1.0445752326651656
Energy: 1.045464549711705
Energy: 1.5835673056989321
Energy: 1.0454645497130992
Energy: 1.0668367471334976
Energy: 1.1074494443808272
Energy: 1.0448531865758766
Energy: 1.1074494443808272
Energy: 1.543496869604939
Energy: 1.0457601845472675
Energy: 1.0447944572319436
Energy: 1.0457601845472675
Energy: 1.0309242627614696
Energy: 1.0451067205220108
Energy: 1.5828295241698758
Energy: 1.0451067205220108
Energy: 1.0308991799610352
Energy: 1.045082199707179
Energy: 1.100742234018021
Energy: 1.045082199707179
Energy: 1.543763230055128
Energy: 1.0665324449128488
Energy: 1.0670640177863404
Energy: 1.0665324449128488
Energy: 1.5665193975623386
Energy: 1.0308879194489038
Energy: 1.1000899627804315
Energy: 1.0308879194489038
Energy: 1.6298488377488174
Energy: 1.0525857988263325
Energy: 1.120536107052157
Energy: 1.052585799040979
Energy: 1.566526160508605
Energy: 1.0310313050334146
Energy: 1.1000899627818257
Energy: 1.0310313050320203
Energy: 1.5433818065208635
Energy: 1.0664778461329936
Energy: 1.0686778803783366
Energy: 1.0664778461329936
Energy: 1.030898085038126
Energy: 1.0450309229344117
Energy: 1.1007422340166264
Energy: 1.0450309229330172

minimum gb energy = 1.0308575765532628 eV
minimum distance =  2.32954610035004 Angstroms
sigma value = 25


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

Energy: 1.5551357659756606
Energy: 1.4153517711353716
Energy: 1.2465257282985769
Energy: 1.4153517711353716
Energy: 1.6939439978921929
Energy: 1.1290163392180252
Energy: 1.2767789963082483
Energy: 1.1290163392196464
Energy: 1.70493277627743
Energy: 1.14715754200681
Energy: 1.1529151638071842
Energy: 1.147157542005189
Energy: 1.4652491172940658
Energy: 1.1201272542111471
Energy: 1.2671145838467452
Energy: 1.1201272542111471
Energy: 1.4644015265842902
Energy: 1.1204472874179705
Energy: 1.3967461526047142
Energy: 1.1204472874179705
Energy: 1.705584895310146
Energy: 1.1289560938580452
Energy: 1.1283797116921233
Energy: 1.1289560938580452
Energy: 1.2017802849804349
Energy: 1.2508966821990757
Energy: 1.128413883717397
Energy: 1.2508966821974545
Energy: 1.1366988896979942
Energy: 1.1482600851672669
Energy: 2.1164020212388093
Energy: 1.1482600851672669
Energy: 1.1936839005886022
Energy: 1.2511437188372074
Energy: 1.4600571955068855
Energy: 1.2511437188372074
Energy: 1.1853949417677017
Energy: 1.1177614701828948
Energy: 1.5535238329004795
Energy: 1.1177614701812737
Energy: 1.1855549157653682
Energy: 1.251081484842165
Energy: 1.6927465413982254
Energy: 1.251081484840544
Energy: 1.21043498934285
Energy: 1.1483852191504562
Energy: 1.6913335039236344
Energy: 1.1483852191520774
Energy: 1.1856134351502245
Energy: 1.11785422449664
Energy: 1.4599633982124753
Energy: 1.1178542244950191
Energy: 1.1934305027973056
Energy: 1.251260576661966
Energy: 1.4593812322027386
Energy: 1.251260576661966
Energy: 1.1453609380876741
Energy: 1.1489945459275954
Energy: 2.122706153263911
Energy: 1.1489945459275954
Energy: 1.2014944256200641
Energy: 1.2632343110483673
Energy: 1.1622004623311368
Energy: 1.2632343110483673
Energy: 2.0573269897725956
Energy: 1.129481004534456
Energy: 1.128503554220187
Energy: 1.1294810045360772
Energy: 1.4188340404810897
Energy: 1.1209007885305062
Energy: 1.4319446227314838
Energy: 1.1209007885305062
Energy: 1.4643966627379648
Energy: 1.1200459849335953
Energy: 1.2351082921445997
Energy: 1.1200459849352165
Energy: 1.4111114945829346
Energy: 1.1290304656868888
Energy: 1.1654916090515697
Energy: 1.1290304656868888
Energy: 1.6949538996196474
Energy: 1.1292888136685921
Energy: 1.1599097317024811
Energy: 1.1292888136685921
Energy: 1.5514225444397047
Energy: 1.1179620899060039
Energy: 1.184193703899406
Energy: 1.1179620899060039
Energy: 1.7275834891890847
Energy: 1.2467677811312687
Energy: 1.184254797874393
Energy: 1.2467677811312687
Energy: 1.8882931018879077
Energy: 1.1516956581364568
Energy: 1.1516729760292732
Energy: 1.1516956581364568
Energy: 1.4649665124933013
Energy: 1.1200701165886267
Energy: 1.1389971789047286
Energy: 1.1200701165886267

minimum gb energy = 1.1177614701812737 eV
minimum distance =  2.33703977644785 Angstroms
sigma value = 9


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

Energy: 1.464917731957476
Energy: 1.2333747243085826
Energy: 1.3377775182379872
Energy: 1.233374724308011
Energy: 1.4169968135765902
Energy: 1.2410175246276758
Energy: 1.24067447500326
Energy: 1.2410175246311477
Energy: 1.3923893706062733
Energy: 1.2507318888923353
Energy: 1.2927870265724224
Energy: 1.2507318888925332
Energy: 1.4276358847846793
Energy: 1.240131834177355
Energy: 1.2409557786927186
Energy: 1.240131834178893
Energy: 1.406307842048881
Energy: 1.2407162773957539
Energy: 1.3932573365999883
Energy: 1.2407162773959517
Energy: 1.9779040101814498
Energy: 1.2410141037408078
Energy: 1.4274298311486873
Energy: 1.24101410374061
Energy: 1.2509798213427097
Energy: 1.2404480475707098
Energy: 1.4481160830919995
Energy: 1.2404480475683806
Energy: 1.2916186309561326
Energy: 1.2906564125636062
Energy: 1.8771031704508252
Energy: 1.2906564125638038
Energy: 1.4679526411732584
Energy: 1.3170605431474582
Energy: 1.1837105687482492
Energy: 1.317060543147656
Energy: 1.4308977460702053
Energy: 1.1843732594905674
Energy: 1.184407614688452
Energy: 1.1843732594899963
Energy: 1.240998117492501
Energy: 1.2217877567821358
Energy: 1.8770896885544341
Energy: 1.2217877567823336
Energy: 1.293347334671235
Energy: 1.2730412684354269
Energy: 1.4843539633132046
Energy: 1.2730412684352288
Energy: 1.4681827837378782
Energy: 1.240605886553908
Energy: 1.4273935769403687
Energy: 1.240605886553908
Energy: 1.3925963044987524
Energy: 1.2927591792702178
Energy: 1.4503065790228675
Energy: 1.2927591792704154
Energy: 1.4272438034472774
Energy: 1.2405519981255912
Energy: 1.4879035667453262
Energy: 1.240551998125965
Energy: 1.4828204608079962
Energy: 1.1839279503595088
Energy: 1.2938025188931344
Energy: 1.1839279503596847
Energy: 1.896506904526114
Energy: 1.3426010944158044
Energy: 1.2404762722666272
Energy: 1.342601094417145
Energy: 1.4182759667842737
Energy: 1.233737178989951
Energy: 1.365515088265774
Energy: 1.2337371789911153
Energy: 1.417223568938128
Energy: 1.2430389447109247
Energy: 1.4326900999502281
Energy: 1.2430389447109247
Energy: 1.8969427713430531
Energy: 1.2510647924502667
Energy: 1.250591540468773
Energy: 1.2510647924504645
Energy: 1.4073700183315274
Energy: 1.3629626209180103
Energy: 1.2411581563966283
Energy: 1.3629626209180103

minimum gb energy = 1.1837105687482492 eV
minimum distance =  2.32546976406771 Angstroms
sigma value = 25


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

Energy: 1.3552510734640522
Energy: 1.4442710224816322
Energy: 1.4234153695790817
Energy: 1.4442710224813875
Energy: 1.7816361463975523
Energy: 1.399739601268818
Energy: 1.3518180060156186
Energy: 1.3997396012680843
Energy: 1.3996321826601925
Energy: 1.3794967514069603
Energy: 1.3507385220034158
Energy: 1.379496751406254
Energy: 1.3320533092077185
Energy: 1.4427267169446272
Energy: 1.3516589716601748
Energy: 1.4427267169443825
Energy: 1.3991921245516454
Energy: 1.3859062075405182
Energy: 1.8144939906789015
Energy: 1.3859062075405182
Energy: 1.846814041570128
Energy: 1.387623695251562
Energy: 1.356133569358066
Energy: 1.387623695251562
Energy: 1.405514926807828
Energy: 1.4234638349982491
Energy: 1.356173423040107
Energy: 1.4234638349987383
Energy: 1.462420074470789
Energy: 1.485819790968895
Energy: 1.7968750050752564
Energy: 1.485819790968895
Energy: 1.405371283036055
Energy: 1.4002265392843658
Energy: 1.3560586445338934
Energy: 1.4002265392838766
Energy: 1.4859465093343542
Energy: 1.4001572575258734
Energy: 1.3565819483633248
Energy: 1.4001572575254113
Energy: 1.3545045390590174
Energy: 1.448603777661227
Energy: 1.6866835419431578
Energy: 1.448603777661227
Energy: 1.3991228146495591
Energy: 1.4000238842670574
Energy: 1.3489317061327244
Energy: 1.4000238842665682
Energy: 1.625566481041559
Energy: 1.3752446673530696
Energy: 1.3757553615332332
Energy: 1.3752446673528522
Energy: 1.7402254625405895
Energy: 1.3803193047481086
Energy: 1.5327632347939282
Energy: 1.3803193047485705
Energy: 1.7424088953005095
Energy: 1.3777050987903512
Energy: 1.4807933306710737
Energy: 1.3777050987903512
Energy: 1.7453647776898837
Energy: 1.4042021121969939
Energy: 1.3926866612492932
Energy: 1.4042021121969939
Energy: 1.48349578064887
Energy: 1.4003211520985823
Energy: 1.3493969646347328
Energy: 1.4003211520990715

minimum gb energy = 1.3320533092077185 eV
minimum distance =  2.31457686193921 Angstroms
sigma value = 17


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

Energy: 1.661224666586804
Energy: 1.4270878235961058
Energy: 1.4774189775274236
Energy: 1.4270878235947515
Energy: 1.629343126430554
Energy: 1.383078105428187
Energy: 1.4921278580158843
Energy: 1.383078105428187
Energy: 1.55053683272283
Energy: 1.4514992564708258
Energy: 1.4243828850136824
Energy: 1.4514992564694713
Energy: 1.4008512369463022
Energy: 1.4110863297530354
Energy: 1.4878072079252096
Energy: 1.4110863297530354
Energy: 1.4776048759132707
Energy: 1.408394080377137
Energy: 1.6738988824509358
Energy: 1.408394080377137
Energy: 1.688485791952837
Energy: 1.395998812772167
Energy: 1.4358873233079297
Energy: 1.3959988127708127
Energy: 1.5165151931129397
Energy: 1.4213675981985883
Energy: 1.6732898551580184
Energy: 1.4213675981985883
Energy: 1.4412891305846693
Energy: 1.4156663513413985
Energy: 1.7023082969913532
Energy: 1.415666351340044
Energy: 1.451639227748266
Energy: 1.4308639523153988
Energy: 1.3887743398827148
Energy: 1.4308639523140443
Energy: 1.6658559603574468
Energy: 1.4045680918460732
Energy: 1.4964458549057296
Energy: 1.4045680918460732
Energy: 1.4447738755349628
Energy: 1.413900903252861
Energy: 1.6294569612365215
Energy: 1.413900903252861
Energy: 1.482462123767986
Energy: 1.4129092303338933
Energy: 1.4950907698223064
Energy: 1.4129092303338933
Energy: 1.688578243568561
Energy: 1.466117937006533
Energy: 1.4918270454149791
Energy: 1.466117937006533
Energy: 1.4413048655774847
Energy: 1.4134479537374733
Energy: 1.5154219618340428
Energy: 1.4134479537374733
Energy: 1.461646063394572
Energy: 1.4112826869092063
Energy: 1.7025420163327294
Energy: 1.4112826869078516
Energy: 1.6594095024082107
Energy: 1.429369964091101
Energy: 1.4111801529199826
Energy: 1.4293699640897468
Energy: 1.4464439660174218
Energy: 1.414013105230297
Energy: 1.5209936569253604
Energy: 1.414013105230297
Energy: 1.4660741852668406
Energy: 1.4770588332601864
Energy: 1.6288173280139677
Energy: 1.4770588332601864
Energy: 1.454815751391849
Energy: 1.3995285281007053
Energy: 1.6529780942973795
Energy: 1.3995285281007053
Energy: 1.7091247625421149
Energy: 1.396465391997959
Energy: 1.6530610423721894
Energy: 1.396465391997959
Energy: 1.4303422149622
Energy: 1.4560090031105866
Energy: 1.6366156386333055
Energy: 1.4560090031105866
Energy: 1.4004879378066193
Energy: 1.4124642262402956
Energy: 1.4216885267611719
Energy: 1.4124642262402956
Energy: 1.630881491000513
Energy: 1.441556693355523
Energy: 1.4360783335177583
Energy: 1.441556693355523
Energy: 1.6456812700276142
Energy: 1.42455868615638
Energy: 1.6077367196280539
Energy: 1.4245586861550255
Energy: 1.6450041642421376
Energy: 1.4243963519008813
Energy: 1.5903512874605676
Energy: 1.4243963519008813
Energy: 1.6653343920351271
Energy: 1.4417500796258425
Energy: 1.4951819849591665
Energy: 1.4417500796258425
Energy: 1.4306090371072413
Energy: 1.4291905450392173
Energy: 1.4271268668997366
Energy: 1.4291905450392173
Energy: 1.4005330016633224
Energy: 1.427312620844413
Energy: 1.663818859975756
Energy: 1.427312620844413
Energy: 1.5911021016164228
Energy: 1.3951723815661603
Energy: 1.6546441630452962
Energy: 1.3951723815675148
Energy: 1.4538440441681741
Energy: 1.395298971440289
Energy: 1.4334958831574987
Energy: 1.395298971440289

minimum gb energy = 1.383078105428187 eV
minimum distance =  2.32816858714899 Angstroms
sigma value = 53


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

Energy: 1.4706596266122627
Energy: 1.3418161769080514
Energy: 1.6170018757645692
Energy: 1.3418161769077326
Energy: 1.515835134517819
Energy: 1.3171295393985811
Energy: 1.4693675734306573
Energy: 1.3171295393982623
Energy: 1.4692833800392713
Energy: 1.3396692574031093
Energy: 1.5264109506492487
Energy: 1.3396692574027904
Energy: 1.526395177870498
Energy: 1.339640948271214
Energy: 1.469204015059244
Energy: 1.3396409482709302
Energy: 1.4690875428005625
Energy: 1.3171317060300551
Energy: 1.5157944619101114
Energy: 1.3171317060300551
Energy: 1.7729779943603452
Energy: 1.341816176907449
Energy: 1.4706596266125815
Energy: 1.341816176907449
Energy: 1.4693675734306573
Energy: 1.3171295393985811
Energy: 1.515835134517819
Energy: 1.3171295393982623
Energy: 1.5264109506495678
Energy: 1.3396692574027904
Energy: 1.4692830397597603
Energy: 1.3396692574027904
Energy: 1.4691766423256787
Energy: 1.339640948271214
Energy: 1.5263951778708171
Energy: 1.3396409482709302
Energy: 1.5157944619101114
Energy: 1.3171317060300551
Energy: 1.469087542801838
Energy: 1.3171317060300551
Energy: 1.4706596266129004
Energy: 1.3418161769077326
Energy: 1.6171273965470945
Energy: 1.3418161769077326
Energy: 1.515835134517819
Energy: 1.3171295393985811
Energy: 1.4693675734309763
Energy: 1.3171295393985811
Energy: 1.469282811211406
Energy: 1.3396692574027904
Energy: 1.5264109506495678
Energy: 1.3396692574031093

minimum gb energy = 1.3171295393982623 eV
minimum distance =  2.34202598947786 Angstroms
sigma value = 9


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

Energy: 1.624572586583849
Energy: 1.4719511256429145
Energy: 1.8123636891821846
Energy: 1.4719511256429145
Energy: 1.8182379025758766
Energy: 1.4882016179368756
Energy: 1.6398272439797499
Energy: 1.4882016179368756
Energy: 1.579355109501485
Energy: 1.516834511961674
Energy: 1.519485436570918
Energy: 1.51683451196052
Energy: 1.5311453827804378
Energy: 1.5103379177016736
Energy: 1.6231868138847247
Energy: 1.5103379177016736
Energy: 1.5739121751869498
Energy: 1.5199288287381691
Energy: 1.8187774856501033
Energy: 1.5199288287370154
Energy: 1.8082601350193486
Energy: 1.4494296034485188
Energy: 1.6247419941872137
Energy: 1.4494296034404404
Energy: 1.6146528247821181
Energy: 1.490896509572196
Energy: 1.8194713480795783
Energy: 1.490896509571042
Energy: 1.5076565823636756
Energy: 1.460152509579656
Energy: 1.5536567472657452
Energy: 1.460152509579656
Energy: 1.602327555214277
Energy: 1.4941394840611821
Energy: 1.5495567804746815
Energy: 1.4941394840623363
Energy: 1.6804322517365742
Energy: 1.5317384228859376
Energy: 1.6032946317706125
Energy: 1.5317384228847837
Energy: 1.5058126760420358
Energy: 1.4619341747057946
Energy: 1.7618961599018637
Energy: 1.4619341747069485
Energy: 1.8315610941184106
Energy: 1.5129593486210728
Energy: 1.5988199514044874
Energy: 1.5129593486210728
Energy: 1.585156057227473
Energy: 1.4456557583834402
Energy: 1.5137461562653842
Energy: 1.4456557583834402
Energy: 1.5804878394528385
Energy: 1.5037502136880796
Energy: 1.689994508657538
Energy: 1.503750213686978
Energy: 1.5712961979189115
Energy: 1.460256164723249
Energy: 1.5861937637097443
Energy: 1.4602561647209409
Energy: 1.7783576209875565
Energy: 1.4496840925003767
Energy: 1.531696081542785
Energy: 1.4496840925003767
Energy: 1.6739302411163834
Energy: 1.4524410072389495
Energy: 1.8503942122768244
Energy: 1.4524410072389495
Energy: 1.5082386811834303
Energy: 1.4546347832591706
Energy: 1.610969754033227
Energy: 1.4546347832580164
Energy: 1.8339679824816366
Energy: 1.5220321973880668
Energy: 1.559384237780878
Energy: 1.5220321973880668
Energy: 1.5969847598677018
Energy: 1.4498855496040637
Energy: 1.5564444293985304
Energy: 1.44988554960291
Energy: 1.52061951550161
Energy: 1.4626922134034301
Energy: 1.805273676365144
Energy: 1.4626922134022762
Energy: 1.7152626318086321
Energy: 1.5047771180921146
Energy: 1.6554452200886907
Energy: 1.5047771180909608
Energy: 1.6484176768657717
Energy: 1.446730750987014
Energy: 1.6265769092622373
Energy: 1.446730750987014
Energy: 1.5797520975709425
Energy: 1.5161791767530257
Energy: 1.7876301653237379
Energy: 1.5161791767530257
Energy: 1.5398148818353914
Energy: 1.4630689836850692
Energy: 1.5359214384722049
Energy: 1.4630689836862234
Energy: 1.7462699834464692
Energy: 1.4862440001667643
Energy: 1.533916603385993
Energy: 1.48624400016561
Energy: 1.8091515854053262
Energy: 1.5005796821071926
Energy: 1.7415406909444706
Energy: 1.5005796821071926
Energy: 1.6278837166843527
Energy: 1.4964480935043523
Energy: 1.7442012170626062
Energy: 1.4964480935043523
Energy: 1.7358147257999255
Energy: 1.514761319569378
Energy: 1.5426908137371143
Energy: 1.514761319569378
Energy: 1.5412123292216824
Energy: 1.4622963908428446
Energy: 1.5368782745981233
Energy: 1.4622963908439985
Energy: 1.5442421277170773
Energy: 1.5164182058194065
Energy: 1.751474190691507
Energy: 1.5164182058182525
Energy: 1.655526589129608
Energy: 1.4998475187137277
Energy: 1.6375406074906707
Energy: 1.4998475187125737
Energy: 1.8748534289720409
Energy: 1.5041713405250738
Energy: 1.653355697990641
Energy: 1.5041713405239199
Energy: 1.5193114623666641
Energy: 1.4615811659677829
Energy: 1.8045550827520114
Energy: 1.4615811659689368
Energy: 1.5561840200670571
Energy: 1.4476046789005335
Energy: 1.5559862463592946
Energy: 1.4476046789005335

minimum gb energy = 1.4456557583834402 eV
minimum distance =  2.2917899761642 Angstroms
sigma value = 73


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

Energy: 1.666027262887729
Energy: 1.4641307439279503
Energy: 1.9508534789843992
Energy: 1.4641307439281377
Energy: 1.6592031850445383
Energy: 1.534313489240882
Energy: 1.6228297554721487
Energy: 1.534313489240882
Energy: 1.5562370143942372
Energy: 1.5342683262597292
Energy: 1.511785027428828
Energy: 1.534268326260083
Energy: 1.5531918049322555
Energy: 1.4640513089021294
Energy: 1.5877853598505165
Energy: 1.4640513089019627
Energy: 1.6772577143363219
Energy: 1.464162441713193
Energy: 1.7137719116942276
Energy: 1.464162441713006
Energy: 1.9729413516673024
Energy: 1.482026992659812
Energy: 1.472571728354283
Energy: 1.482026992659812
Energy: 1.5890024613072598
Energy: 1.5737611324009355
Energy: 1.7145190338695764
Energy: 1.5737611324011227
Energy: 1.4960301248140526
Energy: 1.463773742221672
Energy: 1.624587126204513
Energy: 1.463773742221672
Energy: 1.7652849451235104
Energy: 1.5173026612856226
Energy: 1.6210372716462327
Energy: 1.5173026612861635
Energy: 1.5466402810279454
Energy: 1.5169168029401794
Energy: 1.6181372827005616
Energy: 1.5169168029401794
Energy: 1.5235746661649525
Energy: 1.46356518029892
Energy: 1.9268588909695676
Energy: 1.4635651802991074
Energy: 1.7653176214764545
Energy: 1.4638282463352892
Energy: 1.7146543110202062
Energy: 1.463828246335643
Energy: 1.6967895309026204
Energy: 1.4731020069772625
Energy: 1.4721096642560534
Energy: 1.4731020069769087
Energy: 1.563980196983566
Energy: 1.5646006014092397
Energy: 1.9626440499003543
Energy: 1.5646006014092397
Energy: 1.5646568334664865
Energy: 1.4634957996282683
Energy: 1.6147978495681488
Energy: 1.4634957996279145
Energy: 1.6980373584691781
Energy: 1.516519511729698
Energy: 1.5228171795931966
Energy: 1.516519511728595
Energy: 1.6727216464368204
Energy: 1.4485151829085354
Energy: 1.8391899020895623
Energy: 1.4485151829088891
Energy: 1.660749727515554
Energy: 1.4528778028145297
Energy: 1.8395027722553088
Energy: 1.4528778028143425
Energy: 1.8417411802069719
Energy: 1.5624023572973111
Energy: 1.6165867086050265
Energy: 1.5624023572976857
Energy: 1.5713574720753074
Energy: 1.4634463984298898
Energy: 1.5228780801090724
Energy: 1.4634463984295358
Energy: 1.5643414119656294
Energy: 1.6174653201702427
Energy: 1.8677256856849471
Energy: 1.6174653201708047
Energy: 1.6766164610664347
Energy: 1.463333407970649
Energy: 1.4726734407013347
Energy: 1.4633334079710236

minimum gb energy = 1.4485151829085354 eV
minimum distance =  2.29618966389667 Angstroms
sigma value = 7


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

Energy: 1.8402202522661562
Energy: 1.519490595812968
Energy: 1.8954998165362364
Energy: 1.5194905958142626
Energy: 1.8294849890174338
Energy: 1.5546564001117993
Energy: 1.6382804612041262
Energy: 1.5546564001130938
Energy: 1.5573893373081924
Energy: 1.518208414617827
Energy: 1.5609917272278733
Energy: 1.518208414617827
Energy: 1.5558231521005021
Energy: 1.4661258951098475
Energy: 1.6154500941954597
Energy: 1.466125895108553
Energy: 1.6264385567025328
Energy: 1.5167286448091812
Energy: 1.5388450740967439
Energy: 1.516728644810476
Energy: 1.9112261098665235
Energy: 1.4836505789661563
Energy: 1.5236632301464346
Energy: 1.4836505789661563
Energy: 1.6026389958332377
Energy: 1.6345999883137612
Energy: 1.8591247623711824
Energy: 1.6345999883034037
Energy: 1.5237184773622368
Energy: 1.4843760801655026
Energy: 1.655965459054886
Energy: 1.4843760801655026
Energy: 1.8594280359674173
Energy: 1.5454034180345517
Energy: 1.5679480956183984
Energy: 1.5454034180358467
Energy: 1.6089002561523458
Energy: 1.4643221474641774
Energy: 1.5545871650168708
Energy: 1.4643221474628827
Energy: 1.6066997750530052
Energy: 1.5177776853495735
Energy: 1.738243648648221
Energy: 1.5177776853495735
Energy: 1.8327476864996695
Energy: 1.4642413939148253
Energy: 1.7322611790330202
Energy: 1.4642413939148253
Energy: 1.8251747527004365
Energy: 1.4670322259161412
Energy: 1.7116309000356462
Energy: 1.4670322259148465
Energy: 1.60822612627426
Energy: 1.511310988716433
Energy: 1.8101255876727844
Energy: 1.5113109887177276
Energy: 1.607772324481983
Energy: 1.4633718210410518
Energy: 1.5526677204535477
Energy: 1.4633718210410518
Energy: 1.8249163099635655
Energy: 1.5850160765961328
Energy: 1.5569603199599642
Energy: 1.585016076594838
Energy: 1.523759779594229
Energy: 1.4809444643866887
Energy: 1.6572978298150955
Energy: 1.4809444643866887
Energy: 1.5822866740775
Energy: 1.5178754547614437
Energy: 1.9251158423701973
Energy: 1.5178754547614437
Energy: 1.9205903465145737
Energy: 1.4803599446877402
Energy: 1.5640356470650125
Energy: 1.480359944689035
Energy: 1.6245272014417562
Energy: 1.5177330053027631
Energy: 1.5401246242152928
Energy: 1.5177330053027631
Energy: 1.5538867979100057
Energy: 1.6078940260920074
Energy: 1.6058078084829959
Energy: 1.6078940260920074
Energy: 1.5685141572559396
Energy: 1.518814356303317
Energy: 1.5622421845074528
Energy: 1.518814356303317
Energy: 1.8310000738388907
Energy: 1.5342839371777242
Energy: 1.6071075387845022
Energy: 1.5342839371777242
Energy: 1.813665556346607
Energy: 1.5138989303969315
Energy: 1.8655755737574062
Energy: 1.5138989303956367
Energy: 1.8281285094729112
Energy: 1.525934821581653
Energy: 1.63022416304935
Energy: 1.525934821580358
Energy: 1.6260322309330169
Energy: 1.518481110097659
Energy: 1.561989620717427
Energy: 1.518481110098954
Energy: 1.5538098423752185
Energy: 1.469103877453218
Energy: 1.605356097718417
Energy: 1.469103877451923
Energy: 1.6270191840962505
Energy: 1.530538313024387
Energy: 1.8592509746038925
Energy: 1.5305383130230925
Energy: 1.6323350510803178
Energy: 1.4798063994492157
Energy: 1.5234733311956985
Energy: 1.4798063994479214
Energy: 1.8583891063279228
Energy: 1.632703079855206
Energy: 1.8592334472752727
Energy: 1.632703079855206
Energy: 1.5229912545602773
Energy: 1.4858004930055588
Energy: 1.649516742757308
Energy: 1.4858004930055588

minimum gb energy = 1.4633718210410518 eV
minimum distance =  2.29215517439967 Angstroms
sigma value = 29


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

Energy: 1.306168253741564
Energy: 1.4076278711715873
Energy: 1.672799021037084
Energy: 1.4076278711715873
Energy: 1.7735376867688861
Energy: 1.3725688306155701
Energy: 1.4387254982333928
Energy: 1.3725688306155701
Energy: 1.6881623303512496
Energy: 1.3490477993116459
Energy: 1.351099961527335
Energy: 1.3490477993116459
Energy: 1.853876652269894
Energy: 1.391894176377802
Energy: 1.3512459990083339
Energy: 1.391894176377802
Energy: 1.8149644372625946
Energy: 1.4156260313139934
Energy: 1.3502922361147829
Energy: 1.4156260313139934
Energy: 1.6874579209227234
Energy: 1.3486399100354047
Energy: 1.3501388003222479
Energy: 1.3486399100354047
Energy: 1.7754467073930038
Energy: 1.3490408928119841
Energy: 1.6721665325468102
Energy: 1.3490408928119841
Energy: 1.304900598029403
Energy: 1.3494125327881876
Energy: 2.0217264719376264
Energy: 1.3494125327881876
Energy: 1.9146354699021166
Energy: 1.3878046880863055
Energy: 1.3870190047799575
Energy: 1.3878046880867314

minimum gb energy = 1.304900598029403 eV
minimum distance =  2.33528706008828 Angstroms
sigma value = 5


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

Energy: 1.5666955640122242
Energy: 1.3638626352657945
Energy: 1.8423755156625028
Energy: 1.3638626352657945
Energy: 1.7317996142375198
Energy: 1.3617186153281449
Energy: 1.5346758629777215
Energy: 1.3617186153256988
Energy: 1.3753213500564065
Energy: 1.4030625103860688
Energy: 1.4740857970352068
Energy: 1.4030625103848458
Energy: 1.375396512746232
Energy: 1.4216473417678617
Energy: 1.5660139324895797
Energy: 1.4216473417678617
Energy: 1.3248123840809656
Energy: 1.4126688575298518
Energy: 1.3883359645702393
Energy: 1.4126688575298518
Energy: 1.516653726337615
Energy: 1.4484555631814584
Energy: 1.3937158532764444
Energy: 1.4484555631814584
Energy: 1.5509231798526675
Energy: 1.3970750913789907
Energy: 1.5251936373682602
Energy: 1.3970750913777679
Energy: 1.5502006137786937
Energy: 1.3981683222832573
Energy: 1.6343647983282075
Energy: 1.3981683222820342
Energy: 1.8338171842518955
Energy: 1.3746270354576213
Energy: 1.5494267064589708
Energy: 1.3746270354563983
Energy: 1.7364101560242542
Energy: 1.3785688654570267
Energy: 1.5482815412579978
Energy: 1.3785688654570267
Energy: 1.4631111175871574
Energy: 1.4026080956976041
Energy: 1.5648763810595736
Energy: 1.4026080956976041
Energy: 1.461148306438435
Energy: 1.4080639828332855
Energy: 1.3476950020284746
Energy: 1.4080639828332855
Energy: 1.5913535132226702
Energy: 1.459647275052002
Energy: 1.3460307373896
Energy: 1.459647275052002
Energy: 1.3780879745917092
Energy: 1.4136468379920217
Energy: 1.3459441384483384
Energy: 1.4136468379920217
Energy: 1.4100262665158991
Energy: 1.393311833640866
Energy: 1.732299362975758
Energy: 1.393311833640866
Energy: 1.731187733533782
Energy: 1.3682598566009239
Energy: 1.5560945245254196
Energy: 1.3682598566021469
Energy: 1.6575870058856843
Energy: 1.4321529167755098
Energy: 1.7021551713297556
Energy: 1.4321529167755098
Energy: 1.451909658957765
Energy: 1.3875373636455237
Energy: 1.6410348065958946
Energy: 1.3875373636455237
Energy: 1.5509576692468798
Energy: 1.390188171754036
Energy: 1.4529160963618253
Energy: 1.390188171754036
Energy: 1.411298540588888
Energy: 1.4032363469004159
Energy: 1.3886637008595601
Energy: 1.403236346901639
Energy: 1.413312659989863
Energy: 1.4203229258649974
Energy: 1.4878762616559986
Energy: 1.4203229258649974
Energy: 1.4969259469232883
Energy: 1.4346246864298793
Energy: 1.4538822540362397
Energy: 1.434624686431102
Energy: 1.3754971402684153
Energy: 1.4251889096898367
Energy: 1.4483021389657997
Energy: 1.4251889096910597
Energy: 1.6766699159163996
Energy: 1.3727002853980304
Energy: 1.9203029053568421
Energy: 1.3727002853992534
Energy: 1.6834742932268207
Energy: 1.3707294542962636
Energy: 1.937322792163952
Energy: 1.3707294542962636
Energy: 1.625598597831559
Energy: 1.4126095846573934
Energy: 1.455098863964932
Energy: 1.4126095846573934
Energy: 1.3803376486728411
Energy: 1.426327441428741
Energy: 1.4478906099886175
Energy: 1.4263274414262952
Energy: 1.4096807148591615
Energy: 1.4185577431460512
Energy: 1.7136536724414595
Energy: 1.4185577431472742
Energy: 1.4140142805861653
Energy: 1.4148777770677148
Energy: 1.3883228636351688
Energy: 1.4148777770689376
Energy: 1.5505735235291764
Energy: 1.5970459524809721
Energy: 1.433063882566255
Energy: 1.5970459524821952
Energy: 1.5548663526758881
Energy: 1.3993445975714527
Energy: 1.5213740789691805
Energy: 1.399344597572676
Energy: 1.5594744596285786
Energy: 1.3701321071269923
Energy: 1.7943641239310992
Energy: 1.3701321071257693
Energy: 1.8388800937358594
Energy: 1.3696475330974232
Energy: 1.5532464295879913
Energy: 1.3696475330962001

minimum gb energy = 1.3248123840809656 eV
minimum distance =  2.29451396614071 Angstroms
sigma value = 1


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

Energy: 1.555955995591972
Energy: 1.3394305278366287
Energy: 1.7576230823170302
Energy: 1.33943052783832
Energy: 1.5339034998371255
Energy: 1.3339405710317862
Energy: 1.4875362521967181
Energy: 1.333940571033477
Energy: 1.4162199577816392
Energy: 1.3712736787988542
Energy: 1.6261350104233816
Energy: 1.3712736787988542
Energy: 1.4377374598688797
Energy: 1.4412826617417147
Energy: 1.561266994900654
Energy: 1.4412826617417147
Energy: 1.332097923818609
Energy: 1.3155249832724933
Energy: 1.3318957504187496
Energy: 1.3155249832724933
Energy: 1.3317092478955794
Energy: 1.3508028765470133
Energy: 1.331317908463841
Energy: 1.3508028765470133
Energy: 1.5621151354182738
Energy: 1.3792766326389616
Energy: 1.5318046104993872
Energy: 1.3792766326389616
Energy: 1.5620073324657442
Energy: 1.382045711787133
Energy: 1.570466720744997
Energy: 1.382045711787133
Energy: 1.4840022630603618
Energy: 1.3157709086423854
Energy: 1.425282080144338
Energy: 1.3157709086423854
Energy: 1.4840022630603618
Energy: 1.3157342363795426
Energy: 1.4250168368087135
Energy: 1.3157342363795426
Energy: 1.562046527038092
Energy: 1.3791217090400254
Energy: 1.5704667207433056
Energy: 1.3791217090400254
Energy: 1.562573809383393
Energy: 1.3825394142933436
Energy: 1.5318046104993872
Energy: 1.3825394142933436
Energy: 1.3317409568042589
Energy: 1.3508956649713433
Energy: 1.3315719471776992
Energy: 1.3508956649730344
Energy: 1.3320910572251428
Energy: 1.3156372453031944
Energy: 1.3317582121141462
Energy: 1.3156372453031944
Energy: 1.3687570756846943
Energy: 1.4318466163489008
Energy: 1.5616755194567975
Energy: 1.4318466163489008
Energy: 1.4162199577816392
Energy: 1.3718493211361418
Energy: 1.5818250376181322
Energy: 1.3718493211361418
Energy: 1.4643661050630252
Energy: 1.3206665749625828
Energy: 1.5515832022802465
Energy: 1.320666574960892
Energy: 1.555955995591972
Energy: 1.3394305278366287
Energy: 1.7576191631670983
Energy: 1.33943052783832
Energy: 1.5339034998388166
Energy: 1.333940571033477
Energy: 1.4875362521967181
Energy: 1.333940571033477
Energy: 1.4162199577816392
Energy: 1.3712736787988542
Energy: 1.6261350104233816
Energy: 1.3712736787988542
Energy: 1.4377374598705706
Energy: 1.4412826617417147
Energy: 1.561266994900654
Energy: 1.4412826617417147
Energy: 1.332097923818609
Energy: 1.3155249832724933
Energy: 1.3318957504187496
Energy: 1.3155249832724933
Energy: 1.3317092478972703
Energy: 1.3508028765470133
Energy: 1.331317908463841
Energy: 1.3508028765470133
Energy: 1.5621151354182738
Energy: 1.3792766326389616
Energy: 1.5318046104993872
Energy: 1.3792766326389616

minimum gb energy = 1.3155249832724933 eV
minimum distance =  2.28289131010485 Angstroms
sigma value = 17


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

Energy: 1.7251719249704405
Energy: 1.3147463034925273
Energy: 1.7736676118579944
Energy: 1.3147463034935722
Energy: 1.5242699447672214
Energy: 1.3040906527899179
Energy: 1.4807679144809895
Energy: 1.3040906527867824
Energy: 1.315119772491399
Energy: 1.3328587219672663
Energy: 1.4301632961518238
Energy: 1.3328587219683112
Energy: 1.331321398088903
Energy: 1.338676501074523
Energy: 1.651758232601644
Energy: 1.338676501074523
Energy: 1.373162131508343
Energy: 1.3343557609597636
Energy: 1.380815641517691
Energy: 1.3343557609587184
Energy: 1.4357836092197604
Energy: 1.3599086617892073
Energy: 1.381510359178585
Energy: 1.3599086617892073
Energy: 1.408668829265237
Energy: 1.3476846877088837
Energy: 1.296156283138461
Energy: 1.3476846877078388
Energy: 1.4101486340014653
Energy: 1.3482883556055467
Energy: 1.3442280869630616
Energy: 1.3482883556045018
Energy: 1.673837994446873
Energy: 1.3227484464245076
Energy: 1.6001563834678734
Energy: 1.3227484464234625
Energy: 1.5805862345412574
Energy: 1.3272938882347511
Energy: 1.598271777314095
Energy: 1.3272938882357963
Energy: 1.4913679447861254
Energy: 1.328172245086078
Energy: 1.5498705180656511
Energy: 1.3281722450850328
Energy: 1.4912720994782267
Energy: 1.329038128998507
Energy: 1.487472199349257
Energy: 1.329038128998507
Energy: 1.3989566002663567
Energy: 1.345111238696799
Energy: 1.4190462687633594
Energy: 1.3451112386957538
Energy: 1.32332808840437
Energy: 1.3345342000981588
Energy: 1.4204773911130482
Energy: 1.3345342000981588
Energy: 1.3298628576534601
Energy: 1.3900354427998705
Energy: 1.4193205411391707
Energy: 1.3900354428009158
Energy: 1.332419835410623
Energy: 1.3496966939470776
Energy: 1.3546082686159655
Energy: 1.3496966939481227
Energy: 1.6240419433974203
Energy: 1.3196846537663187
Energy: 1.3056042695275696
Energy: 1.3196846537673639
Energy: 1.500721702187835
Energy: 1.3287612204370833
Energy: 1.556608028728049
Energy: 1.3287612204381283
Energy: 1.4866514695359512
Energy: 1.3168778224967432
Energy: 1.5743260390880371
Energy: 1.3168778224967432
Energy: 1.6810557442839396
Energy: 1.314950719936126
Energy: 1.5050639199493674
Energy: 1.314950719936126
Energy: 1.4059841973423153
Energy: 1.527333117773129
Energy: 1.6939602935373892
Energy: 1.527333117773129
Energy: 1.4141429993484853
Energy: 1.3354565192368755
Energy: 1.3035293816684799
Energy: 1.3354565192368755
Energy: 1.5521009993566757
Energy: 1.5128897386913716
Energy: 1.451358539095345
Energy: 1.5128897386924167
Energy: 1.3620134779324717
Energy: 1.349869536126702
Energy: 1.308289105304327
Energy: 1.349869536126702
Energy: 1.3677062239546967
Energy: 1.394916454343044
Energy: 1.4580042642198388
Energy: 1.394916454344089
Energy: 1.3176218819168608
Energy: 1.3322669157910938
Energy: 1.407038866162632
Energy: 1.3322669157900486
Energy: 1.5321783324556437
Energy: 1.3376562061162507
Energy: 1.4944586889723628
Energy: 1.3376562061152055
Energy: 1.6063355133069535
Energy: 1.3031631129091943
Energy: 1.7612902480151833
Energy: 1.3031631129091943
Energy: 1.601069332684083
Energy: 1.3022124079028585
Energy: 1.764517115743082
Energy: 1.3022124079018134
Energy: 1.3150079964334593
Energy: 1.33127841049207
Energy: 1.4068703600687373
Energy: 1.3312784104931155
Energy: 1.319009150526185
Energy: 1.3297129955482963
Energy: 1.4942222934627756
Energy: 1.3297129955482963
Energy: 1.3621699928944344
Energy: 1.3660011821459268
Energy: 1.3753678453079832
Energy: 1.3660011821438365
Energy: 1.3680181347591522
Energy: 1.347127384879976
Energy: 1.3080427771493024
Energy: 1.3471273848820666
Energy: 1.5119622810545434
Energy: 1.3911136512099154
Energy: 1.3035682348528694
Energy: 1.3911136512078723
Energy: 1.4116013279123871
Energy: 1.3307340584888459
Energy: 1.3433407864845632
Energy: 1.3307340584888459
Energy: 1.552954377230266
Energy: 1.30608460090215
Energy: 1.6073219525261597
Energy: 1.30608460090215
Energy: 1.736901522942104
Energy: 1.3145851493460496
Energy: 1.5039119315506244
Energy: 1.3145851493460496
Energy: 1.5563713359820135
Energy: 1.3175439539798182
Energy: 1.4969255013652691
Energy: 1.3175439539798182

minimum gb energy = 1.296156283138461 eV
minimum distance =  2.30030478030385 Angstroms
sigma value = 89


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

Energy: 1.5187101425146192
Energy: 1.2173247816479786
Energy: 1.5586206275564771
Energy: 1.2173247816482582
Energy: 1.3653267211911597
Energy: 1.4779927060471703
Energy: 1.4063453628584464
Energy: 1.4779927060477298
Energy: 1.3619734828261143
Energy: 1.2183034381575364
Energy: 1.2836919118860741
Energy: 1.2183034381561693
Energy: 1.3310086582536655
Energy: 1.301438104208167
Energy: 1.5773224128764618
Energy: 1.3014381042089753
Energy: 1.3141283485306896
Energy: 1.296209452353601
Energy: 1.2448219127889966
Energy: 1.2962094523533212
Energy: 1.3140670448433673
Energy: 1.4443259174509882
Energy: 1.2451715092291349
Energy: 1.4443259174501801
Energy: 1.316799471018368
Energy: 1.2185644141952126
Energy: 1.246107947630175
Energy: 1.2185644141954923
Energy: 1.3148848557503177
Energy: 1.3027969448107866
Energy: 1.443894908438985
Energy: 1.3027969448110663
Energy: 1.3621537797036491
Energy: 1.2869732074675904
Energy: 1.2761761294042073
Energy: 1.2869732074675904
Energy: 1.5508550037447162
Energy: 1.2760628446490458
Energy: 1.2756056357671903
Energy: 1.2760628446493256
Energy: 1.4844399870183604
Energy: 1.2159481281129119
Energy: 1.4429858597057972
Energy: 1.21594812811344
Energy: 1.4850053124885496
Energy: 1.2192742626642
Energy: 1.4429118140032589
Energy: 1.2192742626644795
Energy: 1.3620481359283265
Energy: 1.2768118325165492
Energy: 1.2763519804273857
Energy: 1.2768118325168287
Energy: 1.3620508217375025
Energy: 1.2756791610218818
Energy: 1.2752784725413282
Energy: 1.2756791610213227
Energy: 1.3160535224508827
Energy: 1.2780225435005996
Energy: 1.331833242776342
Energy: 1.2780225435014076

minimum gb energy = 1.2159481281129119 eV
minimum distance =  2.28923742489082 Angstroms
sigma value = 13


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

Energy: 1.3503495538494679
Energy: 1.1707024269547586
Energy: 1.457701267337316
Energy: 1.1707024269547586
Energy: 1.2536532200996608
Energy: 1.4109131692102428
Energy: 1.2708775176117624
Energy: 1.4109131692125352
Energy: 1.262568872984998
Energy: 1.1527524623131817
Energy: 1.3361081039164129
Energy: 1.1527524623131817
Energy: 1.295111873923192
Energy: 1.346107545294233
Energy: 1.3300736308331955
Energy: 1.3461075452953795
Energy: 1.2081152282301588
Energy: 1.1824795964162078
Energy: 1.20569418553264
Energy: 1.1824795964150616
Energy: 1.3549303940856812
Energy: 1.3632936549627448
Energy: 1.294176333307993
Energy: 1.3632936549638908
Energy: 1.224292557348531
Energy: 1.1519153215310036
Energy: 1.228323629031218
Energy: 1.1519153215310036
Energy: 1.2318720992345003
Energy: 1.274826198424303
Energy: 1.223878054075207
Energy: 1.2748261984254492
Energy: 1.1992130754455905
Energy: 1.1825986686486296
Energy: 1.20378150998766
Energy: 1.1825986686486296
Energy: 1.4180433995087083
Energy: 1.268426883894074
Energy: 1.3472799705794254
Energy: 1.268426883894074
Energy: 1.3257177909792097
Energy: 1.157177291547255
Energy: 1.2581140082578948
Energy: 1.1571772915461085
Energy: 1.3223469611059981
Energy: 1.2392808923823002
Energy: 1.2236972068668135
Energy: 1.2392808923823002
Energy: 1.283171693441727
Energy: 1.1708008286541753
Energy: 1.3416066123371446
Energy: 1.1708008286530294
Energy: 1.280675586452939
Energy: 1.1743528164558348
Energy: 1.5174637181026343
Energy: 1.1743528164558348
Energy: 1.325468751398354
Energy: 1.157278287822844
Energy: 1.254947560993992
Energy: 1.1572782878216976
Energy: 1.3224072157457798
Energy: 1.2381521946164153
Energy: 1.2616684835940106
Energy: 1.2381521946152692
Energy: 1.2932240261362136
Energy: 1.1819564241721212
Energy: 1.2038008211578617
Energy: 1.1819564241732676
Energy: 1.205384860685144
Energy: 1.1817213738760277
Energy: 1.348021367666751
Energy: 1.1817213738771737
Energy: 1.2242023023086324
Energy: 1.236861125263269
Energy: 1.2315690911163781
Energy: 1.236861125263269
Energy: 1.2318634451619108
Energy: 1.2367827481340359
Energy: 1.2241761713416357
Energy: 1.2367827481443516
Energy: 1.3477779200453446
Energy: 1.1818177129520928
Energy: 1.2054162586469481
Energy: 1.1818177129532388
Energy: 1.203748391070356
Energy: 1.1820436432106056
Energy: 1.2932240261350674
Energy: 1.1820436432106056
Energy: 1.261668483596303
Energy: 1.2392624882563845
Energy: 1.3225752542087297
Energy: 1.2392624882552383
Energy: 1.254947560993992
Energy: 1.157754595556799
Energy: 1.325827693364624
Energy: 1.157754595556799
Energy: 1.516407027733004
Energy: 1.1740704487581954
Energy: 1.2804256930892468
Energy: 1.1740704487581954
Energy: 1.3411838699289986
Energy: 1.170788656307257
Energy: 1.283171693441727
Energy: 1.170788656307257
Energy: 1.2236086461471312
Energy: 1.2397911198712481
Energy: 1.3225332873018907
Energy: 1.2397911198712481
Energy: 1.2581140082544562
Energy: 1.1571351020339677
Energy: 1.3258617730080624
Energy: 1.1571351020339677
Energy: 1.3470072992143445
Energy: 1.2677948571361828
Energy: 1.4181746625395433
Energy: 1.2677948571361828
Energy: 1.203765189315082
Energy: 1.1825759256163637
Energy: 1.1992578890082475
Energy: 1.1825759256163637
Energy: 1.2238557296755714
Energy: 1.2745677603728012
Energy: 1.2318189948750047
Energy: 1.2745677603728012
Energy: 1.2285667156258957
Energy: 1.1520034576558318
Energy: 1.2242927800695478
Energy: 1.1520034576558318
Energy: 1.2942452755217633
Energy: 1.3633430776317927
Energy: 1.3566150645445683
Energy: 1.3633430776317927
Energy: 1.2046316117553229
Energy: 1.182638315782729
Energy: 1.208206249583145
Energy: 1.182638315782729
Energy: 1.3299357269768073
Energy: 1.34593757630514
Energy: 1.2944276698941417
Energy: 1.34593757630514

minimum gb energy = 1.1519153215310036 eV
minimum distance =  2.29231591647666 Angstroms
sigma value = 37


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

Energy: 1.3648293196913466
Energy: 1.0850726258886034
Energy: 1.4030381285766713
Energy: 1.0850726258886034
Energy: 1.1660739123311559
Energy: 1.126442362940861
Energy: 1.233896937819679
Energy: 1.1264423629406595
Energy: 1.2469661863525259
Energy: 1.0731577648994224
Energy: 1.3760329215893383
Energy: 1.0731577648994224
Energy: 1.2682990255427051
Energy: 1.3624235808422995
Energy: 1.2429183009629639
Energy: 1.3624235808426808
Energy: 1.2184549041328592
Energy: 1.0734269316941047
Energy: 1.2489548924103773
Energy: 1.0734269316932978
Energy: 1.3626709450571384
Energy: 1.1823971338801154
Energy: 1.247382411602709
Energy: 1.1823971338799137
Energy: 1.1640361939515593
Energy: 1.0784440419040222
Energy: 1.3097355160581015
Energy: 1.0784440419040222
Energy: 1.1622948423980946
Energy: 1.3248744833515889
Energy: 1.2409051880917044
Energy: 1.3248744833511852
Energy: 1.1664956726881384
Energy: 1.0735580926957602
Energy: 1.2399476397335043
Energy: 1.0735580926977324
Energy: 1.3687385545383841
Energy: 1.182760209690346
Energy: 1.2409539622503056
Energy: 1.182760209690346
Energy: 1.2071493954721968
Energy: 1.074528882926268
Energy: 1.2488766263877389
Energy: 1.0745288829264696
Energy: 1.205681701551774
Energy: 1.2473489286022923
Energy: 1.2405101337512834
Energy: 1.2473489286020905
Energy: 1.2468850351476752
Energy: 1.0743824286431052
Energy: 1.3204666740984399
Energy: 1.0743824286431052
Energy: 1.1659618227537976
Energy: 1.1974483950746106
Energy: 1.3208103993216098
Energy: 1.1974483950740278
Energy: 1.3309140291362886
Energy: 1.086120195259035
Energy: 1.248818452050226
Energy: 1.086120195259214
Energy: 1.3313644914628118
Energy: 1.1186169881968218
Energy: 1.198936665593365
Energy: 1.1186169881970234
Energy: 1.2468411167134759
Energy: 1.0741464300118186
Energy: 1.3209920567128293
Energy: 1.0741464300119978
Energy: 1.2637403299734309
Energy: 1.1949844014681499
Energy: 1.3209237298346337
Energy: 1.1949844014689341
Energy: 1.2069979861219406
Energy: 1.074563438996885
Energy: 1.2487935470233735
Energy: 1.0745634389970866
Energy: 1.2055550229338192
Energy: 1.1209450791038371
Energy: 1.248921334692524
Energy: 1.1209450791036355

minimum gb energy = 1.0731577648994224 eV
minimum distance =  2.31048154672891 Angstroms
sigma value = 25


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

Energy: 1.2612212488579302
Energy: 0.9844432050736671
Energy: 1.317514115772974
Energy: 0.9844432050736671
Energy: 1.1273875745558652
Energy: 1.1095439780843954
Energy: 1.1164957741491768
Energy: 1.1095439780859353
Energy: 1.1130904826598267
Energy: 0.9751232036925245
Energy: 1.233377264914253
Energy: 0.9751232036925245
Energy: 1.1400234828982123
Energy: 1.214207627772914
Energy: 1.1174092012472885
Energy: 1.2142076277744538
Energy: 1.150608236386177
Energy: 0.9710618573699088
Energy: 1.1026446253072988
Energy: 0.9710618573714487
Energy: 1.1968538021658595
Energy: 1.1799397309390633
Energy: 1.1536032365719537
Energy: 1.1799397309390633
Energy: 1.0524244370122122
Energy: 0.9710122241830502
Energy: 1.1494847535265336
Energy: 0.9710122241830502
Energy: 1.1632799483286302
Energy: 1.1562517874097926
Energy: 1.2141285388998062
Energy: 1.1562517874097926
Energy: 1.0774063308521735
Energy: 0.9726064056806288
Energy: 1.0976305983720986
Energy: 0.9726064056821688
Energy: 1.1863401033165495
Energy: 1.2092008214323506
Energy: 1.0953072278554878
Energy: 1.2092008214323506
Energy: 1.0737337812351593
Energy: 0.9721842449852575
Energy: 1.1018345192584653
Energy: 0.9721842449852575
Energy: 1.1608697342216219
Energy: 1.0805788813206048
Energy: 1.2129763563402032
Energy: 1.0805788813221446
Energy: 1.0547855667024766
Energy: 0.9724840602823637
Energy: 1.1348874249107628
Energy: 0.9724840602823637
Energy: 1.2450772838792594
Energy: 1.1270800011951227
Energy: 1.1375965340614669
Energy: 1.1270800011951227
Energy: 1.1367624138674643
Energy: 0.9725459915756347
Energy: 1.1052047733801176
Energy: 0.9725459915756347
Energy: 1.200935432966722
Energy: 1.0533564416100942
Energy: 1.1195585694145445
Energy: 1.0533564416085544
Energy: 1.111469762618227
Energy: 0.9758194154472899
Energy: 1.2033008494872743
Energy: 0.9758194154472899
Energy: 1.0546184823336762
Energy: 1.1976548058871028
Energy: 1.2028454411960656
Energy: 1.1976548058871028
Energy: 1.2313828992945763
Energy: 0.9865220716328617
Energy: 1.1051880826577212
Energy: 0.9865220716328617
Energy: 1.1271475399452175
Energy: 1.2053967752460948
Energy: 1.1184653631128993
Energy: 1.2053967752460948
Energy: 1.1095635515266629
Energy: 0.9760876863062642
Energy: 1.2034944839369537
Energy: 0.9760876863062642
Energy: 1.133529083787319
Energy: 1.2127948324872724
Energy: 1.2030370588032997
Energy: 1.2127948324872724
Energy: 1.1369201971643552
Energy: 0.9722619520700592
Energy: 1.1049234197203543
Energy: 0.9722619520715989
Energy: 1.2020918926790973
Energy: 1.0957719119367997
Energy: 1.1509169871079932
Energy: 1.0957719119367997
Energy: 1.055250809835194
Energy: 0.9723971076733507
Energy: 1.1349299315280839
Energy: 0.9723971076733507
Energy: 1.1461009274870806
Energy: 1.1235714455301389
Energy: 1.1386140386983394
Energy: 1.123571445531679

minimum gb energy = 0.9710122241830502 eV
minimum distance =  2.28883121796204 Angstroms
sigma value = 41


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

Energy: 1.1369900427941326
Energy: 0.9092741152032096
Energy: 1.1823037540022863
Energy: 0.9092741152044719
Energy: 1.0242616631048702
Energy: 1.308787312296882
Energy: 1.077076669698995
Energy: 1.3087873122956195
Energy: 1.0106674046383748
Energy: 0.8939605818859008
Energy: 1.1448482741698502
Energy: 0.8939605818846382
Energy: 1.0372917159533985
Energy: 1.163859996789125
Energy: 1.0775696618752473
Energy: 1.163859996789125
Energy: 1.1290197336618424
Energy: 0.8882617892943148
Energy: 0.9966489699748292
Energy: 0.8882617892943148
Energy: 1.037241600306905
Energy: 1.1292898288347657
Energy: 1.0708338068130134
Energy: 1.1292898288347657
Energy: 1.0261559599863703
Energy: 0.887454850984862
Energy: 1.0785558391219585
Energy: 0.887454850984862
Energy: 1.0655508218980636
Energy: 1.0348138863351
Energy: 1.0706420924632907
Energy: 1.0348138863351
Energy: 1.0790527565226538
Energy: 0.8875555841694255
Energy: 0.9948289742968084
Energy: 0.8875555841681632
Energy: 1.0962850502420085
Energy: 1.065538107800934
Energy: 1.088101866437622
Energy: 1.0655381077984092
Energy: 1.0417989347495722
Energy: 0.8899145253410445
Energy: 1.0286802031774656
Energy: 0.8899145253423071
Energy: 1.0417192531139103
Energy: 1.1053871661535097
Energy: 1.090293930177666
Energy: 1.1053871661535097
Energy: 1.0444719353544487
Energy: 0.8898529294858906
Energy: 1.0266159954660068
Energy: 0.8898529294858906
Energy: 1.080739774811249
Energy: 1.006887304584315
Energy: 1.0834064102197127
Energy: 1.006887304584315
Energy: 1.07335047280128
Energy: 0.8897473966122029
Energy: 0.9986311704360763
Energy: 0.8897473966134655
Energy: 1.0703081803757037
Energy: 0.9931225945465664
Energy: 1.0449162802218674
Energy: 0.9931225945465664
Energy: 1.0303542532501375
Energy: 0.8898501115849714
Energy: 1.0739851804101015
Energy: 0.8898501115837092
Energy: 1.0344012145943717
Energy: 0.9764572501249519
Energy: 1.096357792194748
Energy: 0.9764572501249519
Energy: 1.052924275153413
Energy: 0.8908712885448778
Energy: 0.9983395155595273
Energy: 0.8908712885461401
Energy: 1.0799885541604965
Energy: 1.1129571611224012
Energy: 1.0259932870614892
Energy: 1.1129571611224012
Energy: 1.0077685291565088
Energy: 0.8947955159145119
Energy: 1.0636178271137253
Energy: 0.8947955159132495
Energy: 1.0243843854779797
Energy: 1.0334191233137373
Energy: 1.0403213377083023
Energy: 1.0334191233149996
Energy: 1.060340298128157
Energy: 0.910420176789837
Energy: 0.999956437172741
Energy: 0.9104201767910994
Energy: 1.0892700521483827
Energy: 1.154266297496549
Energy: 1.025028624618491
Energy: 1.1542662974952866
Energy: 1.0129988020766403
Energy: 0.8952334477332999
Energy: 1.064720053403052
Energy: 0.8952334477332999
Energy: 1.0360911848378211
Energy: 1.1262622486532274
Energy: 1.0369958134656245
Energy: 1.1262622486645895
Energy: 1.0527891777164984
Energy: 0.8908552364238717
Energy: 1.0000621199126545
Energy: 0.8908552364238717
Energy: 1.0782192801641406
Energy: 1.1330462435795292
Energy: 1.0453571941025637
Energy: 1.1330462435795292
Energy: 1.0251435730002971
Energy: 0.8899335196266339
Energy: 1.0642292668453528
Energy: 0.8899335196253716
Energy: 1.062505828877104
Energy: 1.1203024971390887
Energy: 1.0725948985990639
Energy: 1.1203024971390887
Energy: 1.064115108505824
Energy: 0.8894600025993721
Energy: 0.9943328381690997
Energy: 0.8894600025993721
Energy: 1.0788809922328535
Energy: 0.9010828339876491
Energy: 1.0673732240732898
Energy: 0.9010828339863866

minimum gb energy = 0.887454850984862 eV
minimum distance =  2.31198449716713 Angstroms
sigma value = 15


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

Energy: 1.0461779831996105
Energy: 0.8394223407243135
Energy: 1.0764541583308493
Energy: 0.8394223407264525
Energy: 1.0009346859116068
Energy: 0.8762104014518446
Energy: 0.9908232636492599
Energy: 0.8762104014539837
Energy: 0.9285811374124407
Energy: 0.835235179263291
Energy: 1.0691010433371835
Energy: 0.8352351792622702
Energy: 0.9877961400529988
Energy: 1.0764201071461472
Energy: 0.9912014260624671
Energy: 1.0764201071472166
Energy: 1.0505632435718721
Energy: 0.8257221589033374
Energy: 0.9154075448617224
Energy: 0.8257221589033374
Energy: 0.9876248165903634
Energy: 0.8882907882979637
Energy: 0.9860246567546992
Energy: 0.8882907882990332
Energy: 0.9367941157769607
Energy: 0.8189851462151697
Energy: 1.0203905484495566
Energy: 0.8189851462162392
Energy: 0.9832518268947211
Energy: 0.8900819580278024
Energy: 0.9863038458827283
Energy: 0.8900819580278024
Energy: 1.0114450768284495
Energy: 0.8193467199396737
Energy: 0.9157029899647099
Energy: 0.8193467199386042
Energy: 0.9838733832289359
Energy: 0.9843970724262394
Energy: 0.9899356421839086
Energy: 0.9843970724262394
Energy: 0.9512092427033411
Energy: 0.8194855082717496
Energy: 0.9770940001952356
Energy: 0.8194855082706802
Energy: 0.9907318349930598
Energy: 1.0037592326012859
Energy: 0.9901297858595763
Energy: 1.0037592326012859
Energy: 0.9786100721492129
Energy: 0.8212596892521649
Energy: 0.9396884492058284
Energy: 0.8212596892521649
Energy: 1.002556239263675
Energy: 1.002793048076908
Energy: 0.9920824641815675
Energy: 1.0027930480758387
Energy: 0.9781024679084667
Energy: 0.8212246930196683
Energy: 0.9428155631422289
Energy: 0.8212246930185987
Energy: 0.9909144977574753
Energy: 1.0048885825219611
Energy: 0.9904045249443226
Energy: 1.0048885825208917
Energy: 0.9547056021092583
Energy: 0.8213206353014749
Energy: 0.9766278049372785
Energy: 0.8213206353004053
Energy: 0.9903455916568878
Energy: 0.930807268467221
Energy: 0.9849807482463951
Energy: 0.9308072684682904
Energy: 0.9956912492618412
Energy: 0.8212711666442586
Energy: 0.9188242473370041
Energy: 0.8212711666431892
Energy: 0.9870292570038408
Energy: 1.002713793303311
Energy: 0.9828624799635909
Energy: 1.0027137933022414
Energy: 0.9402590068339625
Energy: 0.8208965360061631
Energy: 1.018089147697213
Energy: 0.8208965360072324
Energy: 0.9558725424853138
Energy: 1.0525528212578368
Energy: 0.9886503852051431
Energy: 1.0525528212578368
Energy: 0.979408789219793
Energy: 0.827394535055727
Energy: 0.9161696579868802
Energy: 0.827394535055727
Energy: 0.9904901325080084
Energy: 1.0747319500606556
Energy: 0.9569203307328091
Energy: 1.0747319500627945
Energy: 0.926898146822116
Energy: 0.8364481641965565
Energy: 0.9938620153546449
Energy: 0.8364481641976261
Energy: 0.9525758754878961
Energy: 1.0743387857363436
Energy: 1.0011636327796014
Energy: 1.0743387857342048
Energy: 0.9881233128641832
Energy: 0.8403758670788576
Energy: 0.9175458834447295
Energy: 0.8403758670788576
Energy: 0.9933414808049379
Energy: 1.113433002273923
Energy: 0.9564887168933084
Energy: 1.113433002273923
Energy: 0.9335445440534135
Energy: 0.8364114135925215
Energy: 0.9946596018704534
Energy: 0.8364114135946603
Energy: 0.9874557788136773
Energy: 1.0836359175198165
Energy: 1.0011757411697486
Energy: 1.083635917520886
Energy: 0.9794726091625077
Energy: 0.8273005958078934
Energy: 0.9179612342873378
Energy: 0.8273005958068238
Energy: 0.9916426567984981
Energy: 1.0903294307582778
Energy: 0.9687413222295063
Energy: 1.0903294307593474
Energy: 0.9362816150856551
Energy: 0.8209865161782299
Energy: 1.0045900888805275
Energy: 0.8209865161803688
Energy: 0.975220524082597
Energy: 1.0710799465714869
Energy: 0.9888112352054566
Energy: 1.0710799465618615
Energy: 1.0078567130224494
Energy: 0.8212675895770456
Energy: 0.9679122916377486
Energy: 0.8212675895781151
Energy: 0.9858456086254072
Energy: 0.9176068061709621
Energy: 0.9879428590249734
Energy: 0.9176068061698927
Energy: 0.9476395307498785
Energy: 0.821410031428097
Energy: 0.9769956782811368
Energy: 0.8214100314291664

minimum gb energy = 0.8189851462151697 eV
minimum distance =  2.3182299047325 Angstroms
sigma value = 85


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

Energy: 1.0339432282542453
Energy: 0.7816973212299604
Energy: 0.9053338601619176
Energy: 0.7816973212299604
Energy: 0.8909907473386846
Energy: 0.880341152202633
Energy: 0.9036331509902431
Energy: 0.8803411522017053
Energy: 0.8363822803224218
Energy: 0.782747384110444
Energy: 0.9914459968042928
Energy: 0.7827473841095164
Energy: 0.8875401900586211
Energy: 0.7285360144072646
Energy: 0.9036585824085622
Energy: 0.7285360144063371
Energy: 1.0136467393980138
Energy: 0.7535020973978919
Energy: 0.8280688616695547
Energy: 0.7535020973978919
Energy: 0.8877195761397302
Energy: 0.7308697270449783
Energy: 0.9028919694895884
Energy: 0.730869727044051
Energy: 0.8531239115704949
Energy: 0.75478780723327
Energy: 0.9808769366974539
Energy: 0.75478780723327
Energy: 0.9009243985390217
Energy: 0.8207324885443997
Energy: 0.9029321451303364
Energy: 0.8207324885406894
Energy: 0.9540009005872975
Energy: 0.738860515495971
Energy: 0.8900820985860326
Energy: 0.738860515495971
Energy: 0.9005314417686564
Energy: 0.8358244947723773
Energy: 0.9049329952743543
Energy: 0.8358244947723773
Energy: 0.8511564651390918
Energy: 0.7388191046042086
Energy: 0.9355187115423522
Energy: 0.738819104605136
Energy: 0.9153540506656574
Energy: 0.9118999716528643
Energy: 0.9051844148433871
Energy: 0.9118999716528643
Energy: 0.9040176383717745
Energy: 0.7394702162151251
Energy: 0.8856810848355929
Energy: 0.7394702162160528
Energy: 0.9152672546988517
Energy: 0.9396185388189167
Energy: 0.9157060318978906
Energy: 0.9396185388179891
Energy: 0.8664398296263264
Energy: 0.7395523241274812
Energy: 0.9035834516716114
Energy: 0.7395523241274812
Energy: 0.9113240304378507
Energy: 0.94082115098444
Energy: 0.9269385557259067
Energy: 0.94082115098444
Energy: 0.8660790419257656
Energy: 0.7394132167746721
Energy: 0.9001755496698453
Energy: 0.7394132167746721
Energy: 0.9150237692479698
Energy: 0.9404042039159274
Energy: 0.9159800766059906
Energy: 0.9404042039159274
Energy: 0.8975154638161261
Energy: 0.7395745721868456
Energy: 0.8858850253491194
Energy: 0.7395745721868456
Energy: 0.9052635602467696
Energy: 0.865359167698866
Energy: 0.9098166294321616
Energy: 0.8653591676997935
Energy: 0.8467388050129518
Energy: 0.7400302325452027
Energy: 0.9212735549658353
Energy: 0.7400302325452027
Energy: 0.89867636214171
Energy: 0.8709302592932275
Energy: 0.9075341168561645
Energy: 0.8709302592923001
Energy: 0.9312211270345144
Energy: 0.7400518482017405
Energy: 0.8851107836825114
Energy: 0.7400518482017405
Energy: 0.9091876045744882
Energy: 0.9600988595807627
Energy: 0.8880912771195303
Energy: 0.9600988595807627
Energy: 0.8513447083131788
Energy: 0.7556794542061622
Energy: 0.943752562925746
Energy: 0.7556794542070898
Energy: 0.8910035900874045
Energy: 1.0881308035657855
Energy: 0.8996171733146071
Energy: 1.0881308035657855
Energy: 0.9652229877792617
Energy: 0.7534404782865212
Energy: 0.8290442635997437
Energy: 0.7534404782874485
Energy: 0.9148824423346398
Energy: 0.9230360751222606
Energy: 0.8438046129992645
Energy: 0.9230360751231882
Energy: 0.8348228969323297
Energy: 0.7826065761634954
Energy: 0.9065705505623723
Energy: 0.7826065761634954
Energy: 0.8913546797676785
Energy: 0.7620146135728352
Energy: 0.9035378672783746
Energy: 0.7620146135737628
Energy: 0.9410566318662387
Energy: 0.7822911196735778
Energy: 0.8298322007607369
Energy: 0.7822911196735778
Energy: 0.930583466539561
Energy: 0.787444901715442
Energy: 0.8460048587902333
Energy: 0.7874449017172973
Energy: 0.8335638829092781
Energy: 0.7826687034104247
Energy: 0.9073590930785745
Energy: 0.7826687034094973
Energy: 0.8873876696588185
Energy: 0.7718613534146922
Energy: 0.9030070263171801
Energy: 0.7718613534156198
Energy: 0.9156335521488637
Energy: 0.7530780879318885
Energy: 0.8301062243938717
Energy: 0.7530780879309609
Energy: 0.9149148215153041
Energy: 1.010468152817812
Energy: 0.8895694299753566
Energy: 1.010468152817812
Energy: 0.8525429336068228
Energy: 0.7557304650515111
Energy: 0.9434390543907427
Energy: 0.7557304650515111
Energy: 0.8982862010365902
Energy: 1.0210126531660468
Energy: 0.8993968876444205
Energy: 1.0210126531660468
Energy: 0.9306911399065051
Energy: 0.7398729006098932
Energy: 0.8867950972827782
Energy: 0.7398729006108208
Energy: 0.9092663398704559
Energy: 1.0078930386603664
Energy: 0.9098487327617223
Energy: 1.0078930386603664
Energy: 0.8481920589996441
Energy: 0.7398414820882363
Energy: 0.9206324335879722
Energy: 0.7398414820873086
Energy: 0.9151920150988867
Energy: 0.9118146673913332
Energy: 0.9065529504239962
Energy: 0.9118146673922607
Energy: 0.8976338602728064
Energy: 0.7400425460203882
Energy: 0.8891802783969521
Energy: 0.7400425460194606

minimum gb energy = 0.7285360144063371 eV
minimum distance =  2.31830819538081 Angstroms
sigma value = 113


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

Energy: 0.015046509104729308
Energy: 0.015407847298079952
Energy: 1.5187927059441653
Energy: 0.015407847298079952
Energy: 0.015856470705705894
Energy: 0.7009184226266687
Energy: 0.015856470705705894
Energy: 0.7009184226266687
Energy: 1.3237069360614788
Energy: 0.015407847298079952
Energy: 0.015046509104729308
Energy: 0.015407847298079952
Energy: 0.015856470705705894
Energy: 0.7009184226273422
Energy: 0.015856470705705894
Energy: 0.7009184226266687
Energy: 0.015046509104729308
Energy: 0.015407847298079952
Energy: 1.5187927059441653
Energy: 0.015407847298079952
Energy: 0.015856470705705894
Energy: 0.7009184226266687
Energy: 0.015856470705705894
Energy: 0.7009184226266687

minimum gb energy = 0.015046509104729308 eV
minimum distance =  2.44720252300289 Angstroms
sigma value = 1