Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_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=2.863645769655704
cohesive_energy=4.290547094706671
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: 0.013215326086228994
Energy: 0.01357732756668947
Energy: 2.552931766671557
Energy: 0.01357732756668947
Energy: 0.01357732756668947
Energy: 0.014138035346797265
Energy: 0.5545919452818598
Energy: 0.014138035346797265
Energy: 2.5529317666705573
Energy: 0.5545919452818598
Energy: 0.5542283276240532
Energy: 0.5545919452818598
Energy: 0.01357732756668947
Energy: 0.014138035346797265
Energy: 0.5545919452818598
Energy: 0.014138035346797265

minimum gb energy = 0.013215326086228994 eV
minimum distance =  2.4754509516047 Angstroms
sigma value = 1


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

Energy: 1.4459774710557838
Energy: 1.2375782404588047
Energy: 1.2040405155668816
Energy: 1.2375782404575923
Energy: 1.44058924357865
Energy: 0.8924685692894647
Energy: 0.936721301466913
Energy: 0.8924685692882525
Energy: 1.6621067793315918
Energy: 0.9351551759387481
Energy: 0.9145016499247336
Energy: 0.9351551759399603
Energy: 1.2539769196097257
Energy: 0.8935920239639982
Energy: 0.9361494391832289
Energy: 0.8935920239627859
Energy: 1.2505086733203354
Energy: 0.893464483772721
Energy: 1.3044819881187404
Energy: 0.8934644837739333
Energy: 1.4558964437826083
Energy: 0.8982775113604533
Energy: 0.8981875136642897
Energy: 0.8982775113604533
Energy: 1.0827170921605476
Energy: 0.8982838602087466
Energy: 0.8982246259022875
Energy: 0.8982838602087466
Energy: 0.8945444849763601
Energy: 0.8962781524924066
Energy: 1.2962442014895574
Energy: 0.8962781524911945
Energy: 1.092959727259098
Energy: 1.0569541151029334
Energy: 1.2562103168390646
Energy: 1.0569541151041455
Energy: 1.5073122196244637
Energy: 0.8984218103482051
Energy: 1.0907936220905692
Energy: 0.8984218103482051
Energy: 0.9121920124729991
Energy: 0.959379108182173
Energy: 1.174675187769138
Energy: 0.959379108182173
Energy: 0.9122283144095448
Energy: 0.9120970605080153
Energy: 1.8988931474639026
Energy: 0.9120970605080153
Energy: 1.103086856813525
Energy: 0.9593401715316956
Energy: 1.253967460212723
Energy: 0.9593401715316956
Energy: 0.9334905670608729
Energy: 0.9592683312075397
Energy: 1.2534111626890871
Energy: 0.9592683312075397
Energy: 0.9332383391701546
Energy: 0.8972891795217836
Energy: 1.4433395426708926
Energy: 0.8972891795217836
Energy: 0.9333583333506351
Energy: 0.8971593999011827
Energy: 1.4434633450941199
Energy: 0.8971593999023949
Energy: 0.9376179591460362
Energy: 0.9584835503232596
Energy: 1.253356972498354
Energy: 0.9584835503244717
Energy: 1.1032731589132725
Energy: 0.9589836304468016
Energy: 1.2528841535434834
Energy: 0.9589836304455893
Energy: 0.9159761875427405
Energy: 0.9121346372208132
Energy: 1.9568642178636468
Energy: 0.9121346372220254
Energy: 0.9120951162075149
Energy: 0.9591878126461804
Energy: 1.0871920031470563
Energy: 0.9591878126461804
Energy: 1.5072602320972435
Energy: 0.8987963381939659
Energy: 1.0899001508978552
Energy: 0.8987963381939659
Energy: 1.0922429466522239
Energy: 0.8932961799544914
Energy: 1.2562323006979537
Energy: 0.8932961799557038
Energy: 0.9948696609899987
Energy: 0.8964637793137514
Energy: 1.0968943531276125
Energy: 0.8964637793137514
Energy: 1.271350170787852
Energy: 0.8984477712008963
Energy: 0.8982068992794434
Energy: 0.8984477712008963
Energy: 1.455343344072078
Energy: 0.8982630626763344
Energy: 0.898412954303779
Energy: 0.8982630626775465
Energy: 1.2502233981991306
Energy: 0.8937368664605717
Energy: 1.30450141237296
Energy: 0.8937368664605717
Energy: 1.2514991986379664
Energy: 0.8933746872012461
Energy: 0.9351934726129975
Energy: 0.8933746872000339
Energy: 1.6635415896498988
Energy: 0.9351239165961053
Energy: 0.9151047200149313
Energy: 0.9351239165948929
Energy: 1.4409518418411271
Energy: 0.8923767574776333
Energy: 0.9366594196245606
Energy: 0.8923767574776333
Energy: 1.2642340947276234
Energy: 0.8974466485682402
Energy: 0.935186528845713
Energy: 0.8974466485682402
Energy: 1.4424529109634157
Energy: 0.8923570655378232
Energy: 0.9351542805778045
Energy: 0.8923570655378232
Energy: 1.4546742672970776
Energy: 0.9105271975764561
Energy: 0.9151279706494125
Energy: 0.9105271975764561
Energy: 1.250424839255922
Energy: 0.8934483922176772
Energy: 0.9785577445487452
Energy: 0.893448392216465

minimum gb energy = 0.8923570655378232 eV
minimum distance =  2.3461051490898 Angstroms
sigma value = 1


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

Energy: 1.5785083584878163
Energy: 0.9408914642059715
Energy: 0.9823834207694125
Energy: 0.9408914642059715
Energy: 1.323604205934199
Energy: 0.9208221832819787
Energy: 1.0230403827803258
Energy: 0.9208221832819787
Energy: 1.3514049440244975
Energy: 0.9653700311434328
Energy: 0.9655754917958853
Energy: 0.9653700311420508
Energy: 0.9193268607906968
Energy: 0.9436671463891219
Energy: 1.0231313296677869
Energy: 0.9436671463891219
Energy: 0.9192311380613875
Energy: 0.944985797702449
Energy: 1.4359642178062177
Energy: 0.9449857977010668
Energy: 1.3513133387673197
Energy: 0.9437162909145925
Energy: 0.9437352421032299
Energy: 0.9437162909145925
Energy: 0.9679086104267418
Energy: 0.9940188436775369
Energy: 0.9435849330937867
Energy: 0.9940188436775369
Energy: 0.94375589433746
Energy: 0.9435784573005254
Energy: 1.4352695642808326
Energy: 0.9435784573005254
Energy: 0.9661941173971255
Energy: 0.9196569769577763
Energy: 1.353866799080109
Energy: 0.9196569769577763
Energy: 1.0228881411988333
Energy: 0.9193704289018473
Energy: 0.9193270914799564
Energy: 0.9193704289018473
Energy: 0.945045862644626
Energy: 1.1122090846497728
Energy: 1.3545259906020757
Energy: 1.1122090846497728
Energy: 0.9443979549320272
Energy: 0.9439899703416164
Energy: 1.8148741731385432
Energy: 0.9439899703429986
Energy: 1.0233040730026117
Energy: 0.9195863867901537
Energy: 1.3224836174455679
Energy: 0.9195863867901537
Energy: 1.0233040730012297
Energy: 0.9196482084435504
Energy: 1.3224603492598954
Energy: 0.9196482084435504
Energy: 0.944487990914512
Energy: 0.9439620904015816
Energy: 1.8148334897124387
Energy: 0.9439620904015816
Energy: 0.9450918043275127
Energy: 1.1122517485742556
Energy: 1.3544938658190995
Energy: 1.1122517485742556
Energy: 1.0228881411974513
Energy: 0.9193656664607432
Energy: 0.9193166961327336
Energy: 0.9193656664607432
Energy: 0.9660063206133509
Energy: 0.9195820074726668
Energy: 1.353818932116848
Energy: 0.9195820074726668
Energy: 0.9436572235996628
Energy: 0.9435793887459492
Energy: 1.4352695642822144
Energy: 0.9435793887473313
Energy: 0.9676187634088189
Energy: 0.9940687623801494
Energy: 0.9437388033512596
Energy: 0.9940687623787672
Energy: 1.3513148816107154
Energy: 0.9437596283627123
Energy: 0.9437336638638817
Energy: 0.9437596283627123
Energy: 0.9193204591160776
Energy: 0.9457536645280659
Energy: 1.435964217808982
Energy: 0.9457536645280659
Energy: 0.9193116764826795
Energy: 0.9437242700812017
Energy: 1.0231313296664046
Energy: 0.9437242700798195
Energy: 1.351346744806702
Energy: 0.9653787825226354
Energy: 0.9655403686880667
Energy: 0.9653787825240177
Energy: 1.3239295147828678
Energy: 0.9206267850852706
Energy: 1.0230403827789438
Energy: 0.9206267850852706
Energy: 1.5785083584878163
Energy: 0.9408914642059715
Energy: 0.98238347526079
Energy: 0.9408914642059715
Energy: 1.323604205934199
Energy: 0.9208221832819787
Energy: 1.0230403827803258
Energy: 0.9208221832819787
Energy: 1.3514049440258795
Energy: 0.9653700311420508
Energy: 0.9655754917958853
Energy: 0.9653700311434328
Energy: 0.9193268607906968
Energy: 0.9436671463905041
Energy: 1.0231313296664046
Energy: 0.9436671463877397

minimum gb energy = 0.9192311380613875 eV
minimum distance =  2.33567657614731 Angstroms
sigma value = 25


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

Energy: 1.3524342331704362
Energy: 1.1113041047260404
Energy: 1.041748612413673
Energy: 1.1113041047244334
Energy: 1.4442746358011762
Energy: 0.9934068023065331
Energy: 1.0686672657517127
Energy: 0.9934068023065331
Energy: 1.4608122274561577
Energy: 1.0240903736870732
Energy: 1.0242875100298345
Energy: 1.0240903736870732
Energy: 1.2560263245653789
Energy: 0.9888742093150689
Energy: 1.0686907776396501
Energy: 0.988874209313462
Energy: 1.2551922756997487
Energy: 0.988526511959427
Energy: 1.2640747991899768
Energy: 0.988526511959427
Energy: 1.4600724152873494
Energy: 0.9934121578647973
Energy: 0.9933018763474393
Energy: 0.9934121578647973
Energy: 1.0203771853021233
Energy: 0.9885846778295291
Energy: 0.9932762267583111
Energy: 0.9885846778295291
Energy: 0.9980578722634582
Energy: 1.0198109046496895
Energy: 1.5385333492516535
Energy: 1.0198109046496895
Energy: 1.073551743264539
Energy: 1.0771802025023058
Energy: 1.2464510418758779
Energy: 1.0771802025023058
Energy: 1.0664733501082277
Energy: 0.9826635038165145
Energy: 1.246285695754121
Energy: 0.9826635038165145
Energy: 1.0613604408023614
Energy: 0.988515649997421
Energy: 1.4487494432415065
Energy: 0.988515649997421
Energy: 1.0530060762718012
Energy: 1.0201001002688581
Energy: 1.4480566821006102
Energy: 1.0201001002688581
Energy: 1.0880040085039806
Energy: 0.9827843956153507
Energy: 1.2464144800461436
Energy: 0.9827843956153507
Energy: 1.073663172957777
Energy: 1.0772477191012535
Energy: 1.2462022176853256
Energy: 1.0772477191012535
Energy: 1.0191373510486308
Energy: 1.0198525002526524
Energy: 1.8027321996597956
Energy: 1.0198525002526524
Energy: 1.0199872208356413
Energy: 0.9885469742077344
Energy: 0.9933325428485053
Energy: 0.9885469742061276
Energy: 1.7812765241579342
Energy: 0.9932823147780746
Energy: 0.9932970733287888
Energy: 0.9932823147796813
Energy: 1.2549149609944192
Energy: 0.988530518638506
Energy: 1.2646918713281692
Energy: 0.988530518638506
Energy: 1.255000160597082
Energy: 0.9886051416677757
Energy: 1.0687210219204797
Energy: 0.9886051416677757
Energy: 1.235144932416688
Energy: 0.9932985354444817
Energy: 1.0246264392892195
Energy: 0.9932985354444817
Energy: 1.445973782452537
Energy: 0.9932717545439779
Energy: 1.0248048773364942
Energy: 0.9932717545439779
Energy: 1.2567682529702715
Energy: 0.9827807526070922
Energy: 1.0687538106281629
Energy: 0.9827807526070922
Energy: 1.4462884029865555
Energy: 1.0697874098524849
Energy: 1.0685893266062976
Energy: 1.0697874098524849
Energy: 1.6109353177887584
Energy: 1.0325769618247602
Energy: 1.0332079023009846
Energy: 1.0325769618247602
Energy: 1.2553451466173031
Energy: 0.9888070222532634
Energy: 1.0156124421676684
Energy: 0.9888070222532634

minimum gb energy = 0.9826635038165145 eV
minimum distance =  2.34703350811101 Angstroms
sigma value = 9


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

Energy: 1.0014930215473747
Energy: 1.0005368062652025
Energy: 1.1317480550344594
Energy: 1.0005368062652025
Energy: 1.001064054069787
Energy: 1.0427254535795354
Energy: 1.0425449442999946
Energy: 1.0427254535795354
Energy: 1.0938688835817716
Energy: 1.0940248448147203
Energy: 1.094015090054803
Energy: 1.0940248448147203
Energy: 1.0426722673843958
Energy: 1.0426663100336262
Energy: 1.0426262877790302
Energy: 1.0426663100334304
Energy: 1.0429702285098752
Energy: 1.0434784077704649
Energy: 1.0938837939248471
Energy: 1.0434784077702686
Energy: 1.7951137362990455
Energy: 1.0428938201788844
Energy: 1.0426925062127879
Energy: 1.0428938201784923
Energy: 1.0425965283920173
Energy: 1.0433549681686616
Energy: 1.0429482942052302
Energy: 1.0433549681686616
Energy: 1.042762377220001
Energy: 1.0435058925634464
Energy: 1.5917183079147197
Energy: 1.0435058925636207
Energy: 1.2331327406053518
Energy: 1.0432958080159889
Energy: 1.0005990455267695
Energy: 1.0432958080159889
Energy: 1.2337149323284384
Energy: 1.000621814453133
Energy: 1.0006819320095188
Energy: 1.000621814453133
Energy: 1.0435852564023063
Energy: 1.1435953918953536
Energy: 1.5914858307340336
Energy: 1.1435953918953536
Energy: 1.1332912764509933
Energy: 1.0004930757664647
Energy: 1.0942595137751656
Energy: 1.0004930757664647
Energy: 1.2331062425519987
Energy: 1.042668465071125
Energy: 1.0431572333169399
Energy: 1.0426684650709293
Energy: 1.0939916533918643
Energy: 1.097603456741215
Energy: 1.0939974900651288
Energy: 1.097603456741215
Energy: 1.0431565354555183
Energy: 1.042667322593223
Energy: 1.2331062425537194
Energy: 1.042667322593419
Energy: 1.0940710475779918
Energy: 1.0005083146691014
Energy: 1.1332230938623062
Energy: 1.0005083146692975
Energy: 1.5914422712821767
Energy: 1.1435845454300217
Energy: 1.043615876167189
Energy: 1.1435845454300217
Energy: 1.0006445766654644
Energy: 1.0006297090615826
Energy: 1.2337149323282421
Energy: 1.0006297090615826
Energy: 1.0006197595989625
Energy: 1.043279998006238
Energy: 1.2331327406043935
Energy: 1.043279998006042
Energy: 1.5916959390013263
Energy: 1.0434101711520283
Energy: 1.0427522779624179
Energy: 1.0434101711520283
Energy: 1.0429267671373583
Energy: 1.0433108540727254
Energy: 1.0440075495739856
Energy: 1.0433108540725293

minimum gb energy = 1.0004930757664647 eV
minimum distance =  2.32129957362752 Angstroms
sigma value = 25


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

Energy: 1.144938420389785
Energy: 1.1015059144219188
Energy: 1.2035737706443326
Energy: 1.1015059144226462
Energy: 1.4282474178046327
Energy: 1.197209456118972
Energy: 1.160923343459155
Energy: 1.1972094561191873
Energy: 1.284239827709189
Energy: 1.1484056724484244
Energy: 1.1615800516279629
Energy: 1.148405672448182
Energy: 1.1102049374772336
Energy: 1.188760124471162
Energy: 1.1288861557540313
Energy: 1.1887601244709196
Energy: 1.189670925444168
Energy: 1.1967998083724345
Energy: 1.4698067809677018
Energy: 1.1967998083726497
Energy: 1.5355531291146534
Energy: 1.1425968753273508
Energy: 1.142479835587245
Energy: 1.1425968753271083
Energy: 1.2875588098926976
Energy: 1.1897605495340087
Energy: 1.1428361785531866
Energy: 1.1897605495340087
Energy: 1.1894094808639406
Energy: 1.2208787927750429
Energy: 1.4705435674863867
Energy: 1.2208787927759857
Energy: 1.2214750429493688
Energy: 1.1427465866189017
Energy: 1.1423818647938888
Energy: 1.1427465866189017
Energy: 1.2688813109669064
Energy: 1.1433516563634962
Energy: 1.142414829284607
Energy: 1.1433516563632538
Energy: 1.1484519243755205
Energy: 1.189161233961332
Energy: 1.4649611029825176
Energy: 1.1891612339610895
Energy: 1.1887500979657646
Energy: 1.1434964995798924
Energy: 1.1302373971921258
Energy: 1.1434964995798924
Energy: 1.4163067278035162
Energy: 1.1482438019514698
Energy: 1.1496996316267911
Energy: 1.1482438019516852
Energy: 1.4460266018704497
Energy: 1.196577962177512
Energy: 1.28560565019737
Energy: 1.1965779621770543
Energy: 1.446267417688141
Energy: 1.086699274309962
Energy: 1.2851427936594144
Energy: 1.0866992743104198
Energy: 1.4278168988114792
Energy: 1.1344197231159987
Energy: 1.1290411360027446
Energy: 1.134419723116699
Energy: 1.18889838875529
Energy: 1.1427748063524807
Energy: 1.1492895012648479
Energy: 1.1427748063534235

minimum gb energy = 1.086699274309962 eV
minimum distance =  2.30365126927305 Angstroms
sigma value = 17


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

Energy: 1.5644466938538553
Energy: 1.1633281613294701
Energy: 1.2549401820421187
Energy: 1.1633281613294701
Energy: 1.3832782644601953
Energy: 1.2253268175726155
Energy: 1.2688198825721113
Energy: 1.2253268175726155
Energy: 1.3831729182982404
Energy: 1.2110934278242764
Energy: 1.1914413020157677
Energy: 1.211093427822934
Energy: 1.1848362988326133
Energy: 1.182847229973985
Energy: 1.2342603136410857
Energy: 1.182847229973985
Energy: 1.222327440822845
Energy: 1.224834286391185
Energy: 1.417657334279567
Energy: 1.2248342863898425
Energy: 1.4109823191670436
Energy: 1.162027816908998
Energy: 1.2069819582828465
Energy: 1.162027816908998
Energy: 1.310543064851929
Energy: 1.1839527436838153
Energy: 1.3757599689118871
Energy: 1.1839527436838153
Energy: 1.2165291022659481
Energy: 1.1822811459438716
Energy: 1.4642788620214127
Energy: 1.1822811459452138
Energy: 1.1968114364466083
Energy: 1.2274240467383373
Energy: 1.1682528804250452
Energy: 1.227424046736995
Energy: 1.4098766390465003
Energy: 1.1639818036400702
Energy: 1.230092468813143
Energy: 1.163981803641413
Energy: 1.2096695935311264
Energy: 1.2097362579020972
Energy: 1.4354033013345866
Energy: 1.2097362579020972
Energy: 1.20959023688313
Energy: 1.2278812792373544
Energy: 1.2608325666161302
Energy: 1.227881279238697
Energy: 1.3942403616877959
Energy: 1.2408184449568374
Energy: 1.2616070892702445
Energy: 1.2408184449568374
Energy: 1.2095190047455424
Energy: 1.2099595579238018
Energy: 1.244029834093536
Energy: 1.2099595579238018
Energy: 1.2100452441907799
Energy: 1.179256295795556
Energy: 1.4459769961430167
Energy: 1.1792562957968982
Energy: 1.441315015567399
Energy: 1.227672468539129
Energy: 1.168101850021033
Energy: 1.227672468539129
Energy: 1.218098018332761
Energy: 1.2697426620756473
Energy: 1.2274569065112422
Energy: 1.2697426620769898
Energy: 1.1972299247294116
Energy: 1.252911397657528
Energy: 1.3943585916703833
Energy: 1.252911397657528
Energy: 1.2973957306440655
Energy: 1.1628726320711493
Energy: 1.364713372772059
Energy: 1.1628726320711493
Energy: 1.4057996511853592
Energy: 1.162399845865758
Energy: 1.3648356202718388
Energy: 1.162399845865758
Energy: 1.1821188654684713
Energy: 1.2596081639184742
Energy: 1.4368818922934843
Energy: 1.2596081639184742
Energy: 1.1821568653765144
Energy: 1.2759164325975083
Energy: 1.210804643635189
Energy: 1.2759164325975083
Energy: 1.4040452996209032
Energy: 1.2108613681665212
Energy: 1.1939599614388454
Energy: 1.2108613681665212
Energy: 1.3628675472757732
Energy: 1.1684937844568255
Energy: 1.3039482185691298
Energy: 1.1684937844568255
Energy: 1.3628775563885325
Energy: 1.1674285569583847
Energy: 1.3786449758590966
Energy: 1.167428556959727
Energy: 1.4116251947871903
Energy: 1.2097266555500226
Energy: 1.2110524878730982
Energy: 1.2097266555500226
Energy: 1.1791130559484149
Energy: 1.2280929994019172
Energy: 1.1938543474530083
Energy: 1.2280929994005747
Energy: 1.1828703930241002
Energy: 1.182247513573897
Energy: 1.443005006451502
Energy: 1.182247513573897
Energy: 1.377047097877757
Energy: 1.1624761197900941
Energy: 1.3667495737616078
Energy: 1.1624761197900941
Energy: 1.2571577844474018
Energy: 1.1621121717093759
Energy: 1.2051087841849095
Energy: 1.1621121717093759

minimum gb energy = 1.162027816908998 eV
minimum distance =  2.3090518022479 Angstroms
sigma value = 53


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

Energy: 1.1943663319915907
Energy: 1.1974570586271838
Energy: 1.374416191604222
Energy: 1.1974570586271838
Energy: 1.2762406780990099
Energy: 1.196027494225193
Energy: 1.194417780783289
Energy: 1.1960274942245608
Energy: 1.1942864000591726
Energy: 1.2971453297502087
Energy: 1.3068043492250578
Energy: 1.2971453297505249
Energy: 1.3067910408229177
Energy: 1.2971248686645458
Energy: 1.1941790716050502
Energy: 1.2971248686642298
Energy: 1.1942308246818747
Energy: 1.1973571290723382
Energy: 1.2763881919203548
Energy: 1.1973571290732863
Energy: 2.518140395837472
Energy: 1.197457058628132
Energy: 1.1943663319912745
Energy: 1.1974570586274997
Energy: 1.1944177807829728
Energy: 1.1960274942248768
Energy: 1.276240678099326
Energy: 1.1960274942245608
Energy: 1.3068043492250578
Energy: 1.2971453297505249
Energy: 1.19428640088614
Energy: 1.2971453297505249
Energy: 1.1941790715259601
Energy: 1.2971248686645458
Energy: 1.3067910408229177
Energy: 1.2971248686639136
Energy: 1.2763881919197575
Energy: 1.1973571290726543
Energy: 1.1942308246818747
Energy: 1.1973571290723382
Energy: 1.1943663319915907
Energy: 1.1974570586269027
Energy: 1.3744162404953664
Energy: 1.1974570586274997
Energy: 1.276240678099326
Energy: 1.1960274942245608
Energy: 1.1944177807829728
Energy: 1.1960274942245608
Energy: 1.1942864016321564
Energy: 1.2971453297502087
Energy: 1.3068043492247419
Energy: 1.2971453297502087

minimum gb energy = 1.1941790715259601 eV
minimum distance =  2.31510926428136 Angstroms
sigma value = 9


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

Energy: 1.3937339008948315
Energy: 1.2865580872276488
Energy: 1.446207266330765
Energy: 1.2865580872276488
Energy: 1.5522805654809289
Energy: 1.278163863388582
Energy: 1.393221283343904
Energy: 1.278163863388582
Energy: 1.3226737622555331
Energy: 1.2510151437100576
Energy: 1.2512639798914147
Energy: 1.2510151437112014
Energy: 1.2618443510324275
Energy: 1.2748618392815143
Energy: 1.365337219849178
Energy: 1.2748618392815143
Energy: 1.3187627632677852
Energy: 1.2377679097105114
Energy: 1.5555386179665582
Energy: 1.2377679097105114
Energy: 1.519886629719644
Energy: 1.3491106107910866
Energy: 1.3913333867753064
Energy: 1.3491106107899429
Energy: 1.3813228455678594
Energy: 1.3282323600909607
Energy: 1.5785031753319811
Energy: 1.328232360088673
Energy: 1.2379137606674253
Energy: 1.2828384332391358
Energy: 1.3255233843103333
Energy: 1.2828384332402796
Energy: 1.330346266665424
Energy: 1.2513863954458049
Energy: 1.2863842298929469
Energy: 1.2513863954446611
Energy: 1.398009245176738
Energy: 1.251447941407554
Energy: 1.3497485064066623
Energy: 1.251447941407554
Energy: 1.262526420809063
Energy: 1.35742319273144
Energy: 1.5482116108626514
Energy: 1.3574231927325837
Energy: 1.5957295395845865
Energy: 1.3341956115776699
Energy: 1.3260432735391479
Energy: 1.3341956115788136
Energy: 1.3123326743609107
Energy: 1.2664395926186076
Energy: 1.2689672005321182
Energy: 1.2664395926174639
Energy: 1.3167776111516678
Energy: 1.3252970281310676
Energy: 1.4179986713814998
Energy: 1.3252970281299237
Energy: 1.3217000463714597
Energy: 1.2829965812155408
Energy: 1.2663816757438364
Energy: 1.2829965812143969
Energy: 1.5526850862441448
Energy: 1.2663869025924654
Energy: 1.2717275545427125
Energy: 1.2663869025924654
Energy: 1.4299727817663737
Energy: 1.267070425563269
Energy: 1.6179266062810613
Energy: 1.2670704255621252
Energy: 1.2657782861654938
Energy: 1.3564550834592026
Energy: 1.3451703297350068
Energy: 1.3564550834580589
Energy: 1.5874685887234803
Energy: 1.3518870150103057
Energy: 1.3085435559465073
Energy: 1.351887015008018
Energy: 1.282648470804458
Energy: 1.2663158463378836
Energy: 1.282025595448744
Energy: 1.2663158463367399
Energy: 1.23693387134729
Energy: 1.2833547644023562
Energy: 1.3083961562589177
Energy: 1.2833547644023562
Energy: 1.5312621262676438
Energy: 1.237516452202538
Energy: 1.3884585452511988
Energy: 1.237516452203682
Energy: 1.4166068022342295
Energy: 1.3459181377308356
Energy: 1.389665622393076
Energy: 1.3459181377308356
Energy: 1.337581761904042
Energy: 1.3571438368226358
Energy: 1.4825945897063433
Energy: 1.3571438368226358
Energy: 1.2607555978740406
Energy: 1.2830492241205957
Energy: 1.2508490320246723
Energy: 1.283049224118308
Energy: 1.4920060022799628
Energy: 1.3101236349126626
Energy: 1.2513889936011293
Energy: 1.3101236349115186
Energy: 1.4720968594416668
Energy: 1.232999255036158
Energy: 1.5645629775782557
Energy: 1.232999255036158
Energy: 1.3928081683705325
Energy: 1.2328788161422288
Energy: 1.5638139164472566
Energy: 1.2328788161445166
Energy: 1.4777282825289961
Energy: 1.3107926694973975
Energy: 1.2989355348721585
Energy: 1.3107926694973975
Energy: 1.2604674887822511
Energy: 1.2837067845267547
Energy: 1.2508144001829031
Energy: 1.2837067845256107
Energy: 1.3228087600223146
Energy: 1.3547336411534998
Energy: 1.4886867541471331
Energy: 1.3547336411512123
Energy: 1.4168128132208018
Energy: 1.2373020206175955
Energy: 1.3923420216388769
Energy: 1.2373020206187393
Energy: 1.6240651728423017
Energy: 1.2373080496718447
Energy: 1.388553832061747
Energy: 1.2373080496718447
Energy: 1.2369691200316217
Energy: 1.2837495467478583
Energy: 1.569732879779175
Energy: 1.2837495467467146
Energy: 1.282526940576547
Energy: 1.266542712579496
Energy: 1.2817467272968988
Energy: 1.2665427125772082

minimum gb energy = 1.2328788161422288 eV
minimum distance =  2.27054699322921 Angstroms
sigma value = 73


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

Energy: 1.4448595312763977
Energy: 1.3572134485967982
Energy: 1.4953915164515037
Energy: 1.3572134485967982
Energy: 1.4695233596724915
Energy: 1.2977969588909066
Energy: 1.4058413300049921
Energy: 1.297796958890185
Energy: 1.3496341850165519
Energy: 1.315099227164058
Energy: 1.2293849256455156
Energy: 1.3150992271638726
Energy: 1.2765135066319409
Energy: 1.2568031326000622
Energy: 1.3727481915609987
Energy: 1.2568031325998765
Energy: 1.4298717438814599
Energy: 1.2568264574028387
Energy: 1.4592630070403245
Energy: 1.2568264574024883
Energy: 1.6705637353925336
Energy: 1.3796041382554776
Energy: 1.2397404077516043
Energy: 1.3796041382547557
Energy: 1.3165841226138388
Energy: 1.3001058523137194
Energy: 1.5045172306435124
Energy: 1.3001058523139053
Energy: 1.2586126684135286
Energy: 1.2567827372295906
Energy: 1.3604541194590596
Energy: 1.2567827372295906
Energy: 1.5278940368008975
Energy: 1.3148092521798957
Energy: 1.354388661625453
Energy: 1.314809252179545
Energy: 1.2568232858403894
Energy: 1.3150934186787888
Energy: 1.3548521149314225
Energy: 1.3150934186787888
Energy: 1.2566719196131757
Energy: 1.2567394112445482
Energy: 1.6456692575548841
Energy: 1.2567394112445482
Energy: 1.5647900449310426
Energy: 1.2566987332569708
Energy: 1.4778304994812783
Energy: 1.2566987332567852
Energy: 1.4283236638448416
Energy: 1.2570505239209167
Energy: 1.2384385018677053
Energy: 1.2570505239216592
Energy: 1.3147795512833926
Energy: 1.4229201536650564
Energy: 1.5263946055190953
Energy: 1.4229201536650564
Energy: 1.2761564748974488
Energy: 1.256658561660617
Energy: 1.314542873695866
Energy: 1.256658561660617
Energy: 1.4076022190355817
Energy: 1.31516824594956
Energy: 1.2296286407385826
Energy: 1.3151682459488379
Energy: 1.4302812307667876
Energy: 1.23823001006935
Energy: 1.653187661986376
Energy: 1.2382300100691643
Energy: 1.4305721029243719
Energy: 1.2381879845678205
Energy: 1.6523918173916665
Energy: 1.2381879845680062
Energy: 1.595033770325351
Energy: 1.3155591527551291
Energy: 1.3147325044853835
Energy: 1.3155591527553148
Energy: 1.2760324044542433
Energy: 1.2568001830028623
Energy: 1.229402813880634
Energy: 1.2568001830028623
Energy: 1.35046362956557
Energy: 1.277763755253841
Energy: 1.5287193538568167
Energy: 1.277763755253841
Energy: 1.4283186782478932
Energy: 1.2568416276308492
Energy: 1.2383470730072093
Energy: 1.2568416276301273

minimum gb energy = 1.2293849256455156 eV
minimum distance =  2.2683213910743 Angstroms
sigma value = 7


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

Energy: 1.5800839378491451
Energy: 1.3863403146048152
Energy: 1.4858906129325105
Energy: 1.3863403146048152
Energy: 1.516479772823095
Energy: 1.3062332040046112
Energy: 1.3169746921586003
Energy: 1.3062332040046112
Energy: 1.2995796299635396
Energy: 1.2794862021054307
Energy: 1.2809485680764154
Energy: 1.2794862021041766
Energy: 1.3048320335542023
Energy: 1.2322119503317805
Energy: 1.2803011488387341
Energy: 1.2322119503317805
Energy: 1.3932810934289723
Energy: 1.2797091346178413
Energy: 1.231797715040796
Energy: 1.2797091346178413
Energy: 1.814056453372201
Energy: 1.2318231485288582
Energy: 1.234634354948917
Energy: 1.2318231485288582
Energy: 1.2735118057922181
Energy: 1.3140696076805762
Energy: 1.5851151886457804
Energy: 1.3140696076805762
Energy: 1.2347735539989502
Energy: 1.2320943168980427
Energy: 1.3868906372812013
Energy: 1.2320943168980427
Energy: 1.622330487838752
Energy: 1.2799919075118225
Energy: 1.316346741710488
Energy: 1.2799919075118225
Energy: 1.2795269207502502
Energy: 1.2319841939548737
Energy: 1.3051679797394535
Energy: 1.2319841939548737
Energy: 1.2794512980139783
Energy: 1.2796289204903863
Energy: 1.3820239762823059
Energy: 1.2796289204903863
Energy: 1.726833280101475
Energy: 1.231891683997221
Energy: 1.4957549612441636
Energy: 1.231891683997221
Energy: 1.7235236002134697
Energy: 1.2322819538381966
Energy: 1.49738588538421
Energy: 1.2322819538381966
Energy: 1.280139852533751
Energy: 1.2799721962450106
Energy: 1.6509853777316532
Energy: 1.2799721962462935
Energy: 1.2793586012038656
Energy: 1.2319211904304301
Energy: 1.2995540253426197
Energy: 1.2319211904304301
Energy: 1.6212329765416382
Energy: 1.382053672560556
Energy: 1.3141522559512682
Energy: 1.382053672560556
Energy: 1.231529081465773
Energy: 1.232032432946614
Energy: 1.386937928787137
Energy: 1.232032432946614
Energy: 1.2319025828836276
Energy: 1.2796626422650428
Energy: 1.6134679981406201
Energy: 1.2796626422650428
Energy: 1.8293467320722607
Energy: 1.2318899268118133
Energy: 1.2316750007770532
Energy: 1.2318899268118133
Energy: 1.388002657938777
Energy: 1.280287111413178
Energy: 1.2317067538960607
Energy: 1.280287111413178
Energy: 1.299577718882356
Energy: 1.3138548848267657
Energy: 1.39964791464705
Energy: 1.3138548848267657
Energy: 1.2994540270378403
Energy: 1.2799302476948342
Energy: 1.284494364272507
Energy: 1.2799302476948342
Energy: 1.5165672181372842
Energy: 1.308119196480029
Energy: 1.3156812412927386
Energy: 1.308119196480029
Energy: 1.4947144263165566
Energy: 1.2326325929077735
Energy: 1.7226313609521613
Energy: 1.2326325929077735
Energy: 1.500253151960407
Energy: 1.2316490488519676
Energy: 1.3018672133889735
Energy: 1.2316490488519676
Energy: 1.382585366286392
Energy: 1.2802229423190397
Energy: 1.2844362541432326
Energy: 1.2802229423190397
Energy: 1.301264484400659
Energy: 1.2321167957376336
Energy: 1.2802013666976193
Energy: 1.2321167957376336
Energy: 1.3873732482250867
Energy: 1.2799999705672376
Energy: 1.5564840759086331
Energy: 1.2799999705672376
Energy: 1.3868915009919203
Energy: 1.231711560127175
Energy: 1.23151360953609
Energy: 1.231711560127175
Energy: 1.590783312007279
Energy: 1.3322750587067698
Energy: 1.5909795314237685
Energy: 1.3322750587067698
Energy: 1.2315048647545246
Energy: 1.2316933458927972
Energy: 1.3868915009932037
Energy: 1.2316933458927972

minimum gb energy = 1.2315048647545246 eV
minimum distance =  2.28850306886633 Angstroms
sigma value = 29


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

Energy: 1.111247357225513
Energy: 1.199786086959802
Energy: 1.4983048202818643
Energy: 1.1997860869606713
Energy: 1.5771291618662393
Energy: 1.1905789731632317
Energy: 1.1976517574028922
Energy: 1.1905789731636787
Energy: 1.4980171905801738
Energy: 1.1676510531404332
Energy: 1.1689481764394454
Energy: 1.1676510531404332
Energy: 1.628188710548641
Energy: 1.1998360558399057
Energy: 1.1683734153987628
Energy: 1.1998360558399057
Energy: 1.663352061875972
Energy: 1.167778810611366
Energy: 1.1681788364540528
Energy: 1.1677788106118132
Energy: 1.448500616382791
Energy: 1.1688975258818903
Energy: 1.1677819306073278
Energy: 1.168897525881468
Energy: 1.5773677159077966
Energy: 1.167608420474254
Energy: 1.8312330240109658
Energy: 1.167608420474254
Energy: 1.109749389346623
Energy: 1.1692157818656888
Energy: 1.8335838316865347
Energy: 1.1692157818656888
Energy: 1.615010647819291
Energy: 1.1981105032261554
Energy: 1.1985922778843203
Energy: 1.1981105032261554

minimum gb energy = 1.109749389346623 eV
minimum distance =  2.3407609199116 Angstroms
sigma value = 5


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

Energy: 1.3620150831103506
Energy: 1.2384264169670394
Energy: 1.5479706278142293
Energy: 1.2384264169670394
Energy: 1.35613895543024
Energy: 1.2125143589271503
Energy: 1.3198012312468417
Energy: 1.2125143589259384
Energy: 1.2750445353037934
Energy: 1.2675714561709457
Energy: 1.265948659825197
Energy: 1.2675714561709457
Energy: 1.2749488142791543
Energy: 1.2767803329977048
Energy: 1.343607431097618
Energy: 1.2767803329989171
Energy: 1.2065246689464224
Energy: 1.2667098831011996
Energy: 1.2386778744951388
Energy: 1.2667098831011996
Energy: 1.3390406120611447
Energy: 1.296191844012152
Energy: 1.2359584597181106
Energy: 1.296191844012152
Energy: 1.3407220944665967
Energy: 1.2504162708654838
Energy: 1.3932466927803033
Energy: 1.2504162708642717
Energy: 1.3432128969183503
Energy: 1.2498787008734535
Energy: 1.5186635082300197
Energy: 1.2498787008734535
Energy: 1.5440914962304548
Energy: 1.2300487477715227
Energy: 1.3331754062532795
Energy: 1.230048747772735
Energy: 1.5459958875137692
Energy: 1.2302944765299086
Energy: 1.3357961630394544
Energy: 1.2302944765286965
Energy: 1.2658223393702517
Energy: 1.2677157521161535
Energy: 1.4041671727782974
Energy: 1.2677157521161535
Energy: 1.2668410591236154
Energy: 1.2675453486885968
Energy: 1.2359984446954262
Energy: 1.2675453486885968
Energy: 1.3698560765232883
Energy: 1.3189081949467454
Energy: 1.2347782638175826
Energy: 1.3189081949467454
Energy: 1.224348842390869
Energy: 1.2688360752101386
Energy: 1.2349018539711458
Energy: 1.2688360752101386
Energy: 1.247050438058596
Energy: 1.3688480100732614
Energy: 1.444038411391103
Energy: 1.3688480100732614
Energy: 1.587051598963371
Energy: 1.2411605813879742
Energy: 1.3319289852183687
Energy: 1.2411605813879742
Energy: 1.4394101011351554
Energy: 1.231397264601988
Energy: 1.460486206363449
Energy: 1.2313972646007756
Energy: 1.2450936894016862
Energy: 1.2519895013948363
Energy: 1.5239122354786636
Energy: 1.251989501393624
Energy: 1.341621342967957
Energy: 1.2475101811665155
Energy: 1.2952570917855275
Energy: 1.2475101811665155
Energy: 1.263427533660079
Energy: 1.267020351424693
Energy: 1.24082956418757
Energy: 1.267020351424693
Energy: 1.2645144072330954
Energy: 1.2761160019866082
Energy: 1.2961472046607099
Energy: 1.276116001985396
Energy: 1.354441114455003
Energy: 1.2671293449135235
Energy: 1.2498954121153123
Energy: 1.2671293449135235
Energy: 1.2752388576262375
Energy: 1.2662054246577439
Energy: 1.2517820148107648
Energy: 1.2662054246577439
Energy: 1.4670849417944192
Energy: 1.2273109636178017
Energy: 1.64873101030123
Energy: 1.227310963619014
Energy: 1.462737805145272
Energy: 1.2277485929014096
Energy: 1.701207264494138
Energy: 1.2277485929014096
Energy: 1.4508483926337796
Energy: 1.2658329140613065
Energy: 1.2497020673077943
Energy: 1.2658329140625189
Energy: 1.2788721027638863
Energy: 1.265581004194036
Energy: 1.251947230694172
Energy: 1.265581004194036
Energy: 1.302641337122254
Energy: 1.277573750839813
Energy: 1.4082806889715354
Energy: 1.2775737508386007
Energy: 1.265189764138685
Energy: 1.2673093300174694
Energy: 1.2381734722879472
Energy: 1.267309330016257
Energy: 1.357057055606921
Energy: 1.372635845783511
Energy: 1.3029536474020882
Energy: 1.372635845783511
Energy: 1.3386682700850092
Energy: 1.252490399314006
Energy: 1.3905777809963396
Energy: 1.252490399314006
Energy: 1.3399923250437065
Energy: 1.2205073035903646
Energy: 1.5142310787925743
Energy: 1.2205073035915768
Energy: 1.7059657120538283
Energy: 1.2325300893218072
Energy: 1.331229807346621
Energy: 1.2325300893218072

minimum gb energy = 1.2065246689464224 eV
minimum distance =  2.27536334756548 Angstroms
sigma value = 1


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

Energy: 1.2332073759071258
Energy: 1.1846563484780939
Energy: 1.5526849711487454
Energy: 1.1846563484780939
Energy: 1.1801237392720083
Energy: 1.1950566552661788
Energy: 1.2463949647824835
Energy: 1.1950566552661788
Energy: 1.3913734260199568
Energy: 1.2452427469945468
Energy: 1.3089052766512665
Energy: 1.2452427469945468
Energy: 1.2455813840374794
Energy: 1.2457105939011746
Energy: 1.2724820767235556
Energy: 1.2457105939011746
Energy: 1.195514590186494
Energy: 1.1847680856993852
Energy: 1.1954492470289655
Energy: 1.1847680856993852
Energy: 1.195977196428227
Energy: 1.2459764325015903
Energy: 1.1954113523931733
Energy: 1.2459764325015903
Energy: 1.2728166732356259
Energy: 1.2454741252259767
Energy: 1.3895100525689679
Energy: 1.2454741252259767
Energy: 1.2771456048574175
Energy: 1.245183006032182
Energy: 1.3926028028635515
Energy: 1.245183006032182
Energy: 1.4792918196797669
Energy: 1.1844738763152902
Energy: 1.2039787340224166
Energy: 1.1844738763152902
Energy: 1.4792918196831193
Energy: 1.184460291561783
Energy: 1.2039812709178324
Energy: 1.184460291561783
Energy: 1.2755896023646012
Energy: 1.2452124346211855
Energy: 1.3926028028652275
Energy: 1.2452124346211855
Energy: 1.272797954620199
Energy: 1.2454869146682417
Energy: 1.3895100525723196
Energy: 1.245486914669918
Energy: 1.1961101084289691
Energy: 1.2460357134504942
Energy: 1.195287629519794
Energy: 1.2460357134504942
Energy: 1.195513340335048
Energy: 1.1848028508095931
Energy: 1.1956004174825403
Energy: 1.1848028508095931
Energy: 1.2454661736346044
Energy: 1.245566682009008
Energy: 1.272416082231923
Energy: 1.245566682009008
Energy: 1.3913734260182806
Energy: 1.2452418287618363
Energy: 1.3087951912108315
Energy: 1.2452418287618363
Energy: 1.1801907201827397
Energy: 1.1948813191956291
Energy: 1.2463854077535568
Energy: 1.194881319193953
Energy: 1.233207375908802
Energy: 1.1846563484780939
Energy: 1.552684969371219
Energy: 1.1846563484780939
Energy: 1.1801237392720083
Energy: 1.1950566552645028
Energy: 1.2463949647824835
Energy: 1.1950566552661788
Energy: 1.3913734260199568
Energy: 1.2452427469945468
Energy: 1.3089052766495903
Energy: 1.2452427469945468
Energy: 1.2455813840374794
Energy: 1.2457105939011746
Energy: 1.2724820767235556
Energy: 1.2457105938994983
Energy: 1.195514590186494
Energy: 1.1847680856993852
Energy: 1.1954492470289655
Energy: 1.1847680856993852
Energy: 1.195977196428227
Energy: 1.2459764325015903
Energy: 1.1954113523931733
Energy: 1.2459764325015903
Energy: 1.2728166732356259
Energy: 1.2454741252259767
Energy: 1.3895100525689679
Energy: 1.2454741252259767

minimum gb energy = 1.1801237392720083 eV
minimum distance =  2.28675575197544 Angstroms
sigma value = 17


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

Energy: 1.4187545726902313
Energy: 1.2189608416512279
Energy: 1.7822866407966416
Energy: 1.218960841650192
Energy: 1.313430152215954
Energy: 1.224178940770764
Energy: 1.2964622556052674
Energy: 1.2241789407718
Energy: 1.2460170154466783
Energy: 1.2232933700213633
Energy: 1.2374027718359635
Energy: 1.2232933700213633
Energy: 1.273952753420026
Energy: 1.234671824335905
Energy: 1.3800705395702597
Energy: 1.234671824339013
Energy: 1.2524523482574224
Energy: 1.2176679835831745
Energy: 1.2411701021096209
Energy: 1.2176679835831745
Energy: 1.2619432720649646
Energy: 1.2491982624619693
Energy: 1.2412014676143979
Energy: 1.2491982624619693
Energy: 1.227279681976219
Energy: 1.2304727769327297
Energy: 1.218092638706999
Energy: 1.2304727769327297
Energy: 1.2254422443465935
Energy: 1.2304338031542605
Energy: 1.2515186452214329
Energy: 1.2304338031532247
Energy: 1.4510974527705605
Energy: 1.2067086810080883
Energy: 1.3915593362295957
Energy: 1.2067086810060161
Energy: 1.490852112866941
Energy: 1.2069299801493114
Energy: 1.3912512643343893
Energy: 1.2069299801493114
Energy: 1.2857464782953083
Energy: 1.2108023756140467
Energy: 1.2518816587992954
Energy: 1.2108023756130109
Energy: 1.2825585544464924
Energy: 1.2110555709383934
Energy: 1.250221624674756
Energy: 1.2110555709373576
Energy: 1.2702349061010179
Energy: 1.2361762284699567
Energy: 1.2414583907179224
Energy: 1.2361762284699567
Energy: 1.2267251864230908
Energy: 1.2178644569523238
Energy: 1.2401934084252761
Energy: 1.2178644569533597
Energy: 1.2256684633684125
Energy: 1.256972548109386
Energy: 1.2452621052856732
Energy: 1.256972548109386
Energy: 1.2286051560319047
Energy: 1.2305284897552888
Energy: 1.2371888693023547
Energy: 1.2305284897542528
Energy: 1.37723613163441
Energy: 1.212474389771271
Energy: 1.2762397667350343
Energy: 1.212474389772307
Energy: 1.2795534460060614
Energy: 1.2199256034133088
Energy: 1.472608230419278
Energy: 1.219925603414345
Energy: 1.280491761576871
Energy: 1.2009031921069144
Energy: 1.2765779164274065
Energy: 1.2009031921058784
Energy: 1.5908717303677447
Energy: 1.215500381884264
Energy: 1.2814198279006621
Energy: 1.215500381884264
Energy: 1.2583440613501307
Energy: 1.3286201037681968
Energy: 1.3699674596961358
Energy: 1.328620103767161
Energy: 1.2265312521195069
Energy: 1.218071178650024
Energy: 1.225074974667202
Energy: 1.2180711786510598
Energy: 1.3248641272616148
Energy: 1.3025874430211308
Energy: 1.2766204583308478
Energy: 1.3025874430241917
Energy: 1.2192932276662618
Energy: 1.231108910173513
Energy: 1.2053181146785819
Energy: 1.231108910175585
Energy: 1.220653650591384
Energy: 1.2579955612069569
Energy: 1.2924617934298053
Energy: 1.2579955612079927
Energy: 1.2476466495354912
Energy: 1.2182817217960482
Energy: 1.224059466680174
Energy: 1.2182817217960482
Energy: 1.33068123257299
Energy: 1.218455234995521
Energy: 1.2868170879440635
Energy: 1.2184552349944853
Energy: 1.383835315085858
Energy: 1.1926563365346354
Energy: 1.6599370853167588
Energy: 1.1926563365346354
Energy: 1.3888246303912162
Energy: 1.1933419412885649
Energy: 1.5032538915479414
Energy: 1.1933419412875288
Energy: 1.2460743018032647
Energy: 1.2185555293294814
Energy: 1.2242765978449643
Energy: 1.2185555293284456
Energy: 1.2491682057364424
Energy: 1.2186748435618302
Energy: 1.2869737853994192
Energy: 1.2186748435607944
Energy: 1.2191786199533274
Energy: 1.2560053704772773
Energy: 1.2484208532252474
Energy: 1.2560053704762415
Energy: 1.2207231637096407
Energy: 1.23152351454551
Energy: 1.2032426419101023
Energy: 1.231523514544474
Energy: 1.3019210246768702
Energy: 1.2347109286401359
Energy: 1.2256225622873087
Energy: 1.2347109286422078
Energy: 1.2253283849315715
Energy: 1.218777140803753
Energy: 1.258223804164208
Energy: 1.218777140801681
Energy: 1.334551274636634
Energy: 1.198737481563014
Energy: 1.3714950521109615
Energy: 1.198737481563014
Energy: 1.6446709187707063
Energy: 1.2101420352610586
Energy: 1.2811923225646844
Energy: 1.2101420352620946
Energy: 1.37858990593636
Energy: 1.2001289892037774
Energy: 1.2939608468224022
Energy: 1.2001289892027416

minimum gb energy = 1.1926563365346354 eV
minimum distance =  2.28195676880335 Angstroms
sigma value = 89


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

Energy: 1.3183151611019466
Energy: 1.1369059751573212
Energy: 1.523268945864839
Energy: 1.1369059751575676
Energy: 1.2192007081833143
Energy: 1.1699471326002022
Energy: 1.2722115771003393
Energy: 1.1699471325999253
Energy: 1.3418464267971635
Energy: 1.1279364498856355
Energy: 1.1420510174693939
Energy: 1.1279364498859126
Energy: 1.1898514654297585
Energy: 1.1984638873062325
Energy: 1.341986375721969
Energy: 1.1984638873054316
Energy: 1.2057465029351027
Energy: 1.1836972960644303
Energy: 1.1853119294304597
Energy: 1.1836972960639067
Energy: 1.182408484516388
Energy: 1.3563509752635345
Energy: 1.1852899979927671
Energy: 1.3563509752624565
Energy: 1.1852725361357492
Energy: 1.1280723827636956
Energy: 1.1850553571712776
Energy: 1.1280723827634183
Energy: 1.183521667573409
Energy: 1.1956131740405904
Energy: 1.3444862425680149
Energy: 1.1956131740408678
Energy: 1.343162628456978
Energy: 1.1838933250754413
Energy: 1.1225719333659643
Energy: 1.183893325075164
Energy: 1.182733839477155
Energy: 1.1847131306368022
Energy: 1.1213477214297296
Energy: 1.1847131306370795
Energy: 1.2629926971079257
Energy: 1.1278973448791905
Energy: 1.344395717456167
Energy: 1.127897344879468
Energy: 1.2628375988601164
Energy: 1.1289054588909746
Energy: 1.3443692155134617
Energy: 1.1289054588909746
Energy: 1.3429611930023775
Energy: 1.1840619548348155
Energy: 1.123020209915843
Energy: 1.1840619548345381
Energy: 1.341585373064776
Energy: 1.18497848581964
Energy: 1.1212311219102005
Energy: 1.1849784858193624
Energy: 1.184926633820337
Energy: 1.1838798096527092
Energy: 1.3444183877986884
Energy: 1.1838798096521856

minimum gb energy = 1.1212311219102005 eV
minimum distance =  2.28424828235528 Angstroms
sigma value = 13


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

Energy: 1.2464432323783752
Energy: 1.1187754221893067
Energy: 1.5867983763669837
Energy: 1.1187754221893067
Energy: 1.1954326548689318
Energy: 1.119808671586012
Energy: 1.172712384557863
Energy: 1.119808671586012
Energy: 1.2081220973057498
Energy: 1.1028547238574917
Energy: 1.2266339313595276
Energy: 1.1028547238585762
Energy: 1.19744755382227
Energy: 1.1067104898577744
Energy: 1.198709239197922
Energy: 1.1067104898600464
Energy: 1.1361374353517795
Energy: 1.1199101612044675
Energy: 1.147896736400701
Energy: 1.1199101612044675
Energy: 1.2680805391691394
Energy: 1.1175137397083554
Energy: 1.2079123994336383
Energy: 1.1175137397083554
Energy: 1.1496991698646675
Energy: 1.0862986976730578
Energy: 1.1598345659090294
Energy: 1.0862986976730578
Energy: 1.148363514594854
Energy: 1.1251253506009669
Energy: 1.1461087500095455
Energy: 1.125125350602103
Energy: 1.1460707109959352
Energy: 1.117399592210527
Energy: 1.1261119572498108
Energy: 1.117399592208255
Energy: 1.2717749618661771
Energy: 1.1194838100501139
Energy: 1.2244237930495647
Energy: 1.1194838100489777
Energy: 1.1983443464873231
Energy: 1.1000765090319002
Energy: 1.3039811946613367
Energy: 1.1000765090319002
Energy: 1.1986344502275401
Energy: 1.1024559095727515
Energy: 1.1363035157712678
Energy: 1.1024559095727515
Energy: 1.1910674277617055
Energy: 1.099205650363487
Energy: 1.176605328015312
Energy: 1.0992056503657592
Energy: 1.143065275536603
Energy: 1.1014524000111732
Energy: 1.2996403058073718
Energy: 1.101452400010037
Energy: 1.1984724658770147
Energy: 1.1000121208324345
Energy: 1.1790701848755047
Energy: 1.1000121208312985
Energy: 1.198398624239819
Energy: 1.1020452326917043
Energy: 1.2058426091344763
Energy: 1.1020452326917043
Energy: 1.2080953021148781
Energy: 1.1174272233965952
Energy: 1.1260220883391097
Energy: 1.1174272233965952
Energy: 1.1478232240625235
Energy: 1.119630673063014
Energy: 1.2251067192685594
Energy: 1.119630673061878
Energy: 1.1490484381798125
Energy: 1.0870977368986974
Energy: 1.1480085976542658
Energy: 1.0870977368986974
Energy: 1.1487652665096204
Energy: 1.0867552366961277
Energy: 1.1489961016273922
Energy: 1.0867552366961277
Energy: 1.225119055384411
Energy: 1.1200647416335916
Energy: 1.148447189153333
Energy: 1.1200647416335916
Energy: 1.1267075710181274
Energy: 1.1172280073105048
Energy: 1.198930707508285
Energy: 1.1172280073105048
Energy: 1.2083509752976866
Energy: 1.1027743211497296
Energy: 1.1989335128067962
Energy: 1.1027743211474574
Energy: 1.203216404105655
Energy: 1.1000541160378232
Energy: 1.1980112535624043
Energy: 1.1000541160378232
Energy: 1.2495514926287725
Energy: 1.1158674043539107
Energy: 1.2148254650969397
Energy: 1.1158674043539107
Energy: 1.218367184748231
Energy: 1.1146894467662503
Energy: 1.3273275423488018
Energy: 1.1146894467673862
Energy: 1.140846990295908
Energy: 1.1026677438496153
Energy: 1.1988498273192656
Energy: 1.1026677438496153
Energy: 1.2023995454225769
Energy: 1.099934523220698
Energy: 1.1981374204357103
Energy: 1.099934523220698
Energy: 1.2245752045624791
Energy: 1.1195058497748895
Energy: 1.2428246295453589
Energy: 1.1195058497760257
Energy: 1.1266859411748247
Energy: 1.1173150860811674
Energy: 1.145669968688632
Energy: 1.1173150860811674
Energy: 1.1464725847836688
Energy: 1.1255937091071526
Energy: 1.148147413395541
Energy: 1.1255937091071526
Energy: 1.1583219945832852
Energy: 1.0864214238517294
Energy: 1.1495320340050947
Energy: 1.0864214238517294
Energy: 1.1542765322458215
Energy: 1.117311153209044
Energy: 1.2356464306375947
Energy: 1.1173111532101803
Energy: 1.1480435161886098
Energy: 1.1197745895598172
Energy: 1.1361521645494501
Energy: 1.1197745895598172
Energy: 1.1900505146481273
Energy: 1.1836883297741991
Energy: 1.1769153991948176
Energy: 1.1836883297753353

minimum gb energy = 1.0862986976730578 eV
minimum distance =  2.28858222833405 Angstroms
sigma value = 37


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

Energy: 1.1888845680955797
Energy: 1.032229514120477
Energy: 1.4290205154918285
Energy: 1.032229514120477
Energy: 1.217092662785387
Energy: 1.0519037060764205
Energy: 1.1087286542923007
Energy: 1.0519037060762206
Energy: 1.225305188180105
Energy: 1.0157977610230535
Energy: 1.1878621357650017
Energy: 1.0157977610222761
Energy: 1.1477179001747406
Energy: 1.031509255297005
Energy: 1.1086265149197498
Energy: 1.0315092552968272
Energy: 1.1031768146763063
Energy: 1.0137859315453095
Energy: 1.214453468486026
Energy: 1.0137859315451097
Energy: 1.1908020250667595
Energy: 1.05630618443743
Energy: 1.1289786410341975
Energy: 1.0563061844370523
Energy: 1.105826513571638
Energy: 1.0158061804319507
Energy: 1.1000760506551945
Energy: 1.0158061804321505
Energy: 1.1051812362446634
Energy: 1.1564616423133298
Energy: 1.1244249352235176
Energy: 1.156461642313707
Energy: 1.1124892056717546
Energy: 1.0138158995551652
Energy: 1.1243545723712836
Energy: 1.0138158995551652
Energy: 1.1901417563477596
Energy: 1.0562289434421253
Energy: 1.1249941980819138
Energy: 1.0562289434417478
Energy: 1.075227882249941
Energy: 1.015706992000012
Energy: 1.1623254918374426
Energy: 1.015706992000012
Energy: 1.0851552448435247
Energy: 1.0579920183471914
Energy: 1.1703259781211433
Energy: 1.0579920183469913
Energy: 1.2253403999067005
Energy: 1.013999404422716
Energy: 1.1348631288101432
Energy: 1.013999404422916
Energy: 1.0702367560028268
Energy: 1.016276609063402
Energy: 1.1366220188052445
Energy: 1.016276609063602
Energy: 1.1391614792677858
Energy: 1.0312076946460205
Energy: 1.212801035270121
Energy: 1.031207694645643
Energy: 1.1065207530628165
Energy: 1.0387489243624966
Energy: 1.1668776191593904
Energy: 1.0387489243626964
Energy: 1.2255761835871735
Energy: 1.0139920893068062
Energy: 1.134930209074965
Energy: 1.0139920893066283
Energy: 1.147412620068033
Energy: 1.0161343991510894
Energy: 1.1362416349993973
Energy: 1.0161343991510894
Energy: 1.0753707483684383
Energy: 1.0157007821491204
Energy: 1.2130595091511391
Energy: 1.0157007821489203
Energy: 1.0754175239152937
Energy: 1.0575133432470452
Energy: 1.2145298881381108
Energy: 1.0575133432468675

minimum gb energy = 1.0137859315451097 eV
minimum distance =  2.2966242985106 Angstroms
sigma value = 25


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

Energy: 1.1192753291009434
Energy: 0.9441349638117239
Energy: 1.2615253172578798
Energy: 0.9441349638117239
Energy: 0.9950851826627474
Energy: 0.9717709539994587
Energy: 1.0348389940794998
Energy: 0.9717709539979323
Energy: 1.0911354373793078
Energy: 0.9282590310012045
Energy: 1.0921350314142917
Energy: 0.9282590310012045
Energy: 1.040855532906906
Energy: 0.9798690823504922
Energy: 1.034756732756548
Energy: 0.979869082348966
Energy: 1.0452202787015994
Energy: 0.9213526096469865
Energy: 1.0799440647126195
Energy: 0.9213526096469865
Energy: 1.0411115783102496
Energy: 0.9406844654984611
Energy: 1.0681208577712045
Energy: 0.9406844654969347
Energy: 1.0203620397260447
Energy: 0.921186939274634
Energy: 1.0455304949466009
Energy: 0.9211869392731079
Energy: 1.0451341259030182
Energy: 0.9443153565678876
Energy: 1.0822415324863515
Energy: 0.9443153565678876
Energy: 1.0153532395825622
Energy: 0.9215828020991458
Energy: 1.0369274329433114
Energy: 0.9215828020991458
Energy: 1.0633699813589814
Energy: 0.9962644007996015
Energy: 1.0465373108891236
Energy: 0.9962644007996015
Energy: 1.0074514066264955
Energy: 0.921018731504952
Energy: 1.0446574993498896
Energy: 0.921018731504952
Energy: 1.0421922976378402
Energy: 0.9442922414047294
Energy: 1.067779543109512
Energy: 0.9442922414032031
Energy: 1.0231806588061594
Energy: 0.9216713771289355
Energy: 1.0187163738758902
Energy: 0.9216713771289355
Energy: 1.1159484376479505
Energy: 0.9437653042161678
Energy: 1.009084670063181
Energy: 0.9437653042161678
Energy: 0.9927570961723291
Energy: 0.9211490617585874
Energy: 1.0823070239494001
Energy: 0.9211490617585874
Energy: 1.0169611165006254
Energy: 0.9212531120081889
Energy: 1.0336531175261314
Energy: 0.9212531120081889
Energy: 1.087591610384823
Energy: 0.9283601928428664
Energy: 1.0088345094764568
Energy: 0.9283601928428664
Energy: 0.9998648035819416
Energy: 0.9540304526983093
Energy: 1.009430167463167
Energy: 0.9540304526967831
Energy: 1.0294295598247738
Energy: 0.9425111279466674
Energy: 1.0840092950494864
Energy: 0.9425111279466674
Energy: 1.0386463955796736
Energy: 0.9432130685172759
Energy: 1.0334232954280689
Energy: 0.9432130685172759
Energy: 1.0873757733741396
Energy: 0.928539723302718
Energy: 1.0089522393018762
Energy: 0.928539723302718
Energy: 1.0577495326986295
Energy: 0.9382484060418179
Energy: 1.0094403917231958
Energy: 0.9382484060418179
Energy: 0.9926640597739039
Energy: 0.9213137938589903
Energy: 1.0794496350776732
Energy: 0.9213137938605166
Energy: 1.0403852699824683
Energy: 0.9208899940804123
Energy: 1.058603376677371
Energy: 0.9208899940804123
Energy: 1.0242668859688475
Energy: 0.9216400531480655
Energy: 1.0190673302123052
Energy: 0.9216400531480655
Energy: 1.0925482047188992
Energy: 0.9434393422459941
Energy: 1.009331684801187
Energy: 0.9434393422444678

minimum gb energy = 0.9208899940804123 eV
minimum distance =  2.30606767865771 Angstroms
sigma value = 41


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

Energy: 1.0408472735128016
Energy: 0.8764701397675667
Energy: 1.138555156107196
Energy: 0.876470139765064
Energy: 0.9296072491582096
Energy: 0.8893268581104452
Energy: 0.9793112695838933
Energy: 0.8893268581104452
Energy: 0.9907958746583061
Energy: 0.8575672524896376
Energy: 0.9982044117998118
Energy: 0.8575672524896376
Energy: 0.9809024712530016
Energy: 0.9243666513133705
Energy: 0.9792857707597039
Energy: 0.9243666513133705
Energy: 0.9887461087334088
Energy: 0.8479039945298337
Energy: 0.9822422905569689
Energy: 0.8479039945298337
Energy: 0.9808442241446126
Energy: 0.8656000911988136
Energy: 0.9637356192826572
Energy: 0.8656000911988136
Energy: 0.9947084492641901
Energy: 0.844472196862896
Energy: 0.9853089591007588
Energy: 0.844472196862896
Energy: 0.9806654047574622
Energy: 0.8701295127927472
Energy: 0.9635415681134513
Energy: 0.8701295127927472
Energy: 0.9876428861069743
Energy: 0.8445241101469578
Energy: 0.9593772778207698
Energy: 0.8445241101482092
Energy: 0.9805836717757279
Energy: 0.9013760910248207
Energy: 0.977704052879091
Energy: 0.9013760910248207
Energy: 0.9744910103489852
Energy: 0.8446666450018011
Energy: 0.9627478738931189
Energy: 0.8446666450018011
Energy: 0.9687398166154223
Energy: 0.888183195213397
Energy: 0.977698248054658
Energy: 0.8881831952146483
Energy: 0.981334207738771
Energy: 0.8446217918947576
Energy: 0.9558290685597008
Energy: 0.8446217918947576
Energy: 0.980468898850088
Energy: 0.8581760114469871
Energy: 0.9670534799663473
Energy: 0.8581760114482384
Energy: 0.9306706563025171
Energy: 0.8445542528549579
Energy: 0.9633380414274731
Energy: 0.8445542528562092
Energy: 0.930627341035882
Energy: 0.8580524818460652
Energy: 0.9947420966033708
Energy: 0.8580524818460652
Energy: 0.9985986805910264
Energy: 0.8443509341054972
Energy: 0.9233262386045508
Energy: 0.8443509341054972
Energy: 0.9772399115133418
Energy: 0.8442535978406551
Energy: 0.941339565421787
Energy: 0.8442535978406551
Energy: 0.9312685244603394
Energy: 0.8471816328451787
Energy: 0.9838695387978789
Energy: 0.8471816328476814
Energy: 0.9344364673039298
Energy: 0.9134520578113203
Energy: 0.9369040258556206
Energy: 0.9134520578088178
Energy: 0.9881258434778937
Energy: 0.8563400531399826
Energy: 0.9407933418611408
Energy: 0.8563400531399826
Energy: 0.9318372448801192
Energy: 0.8765844830717336
Energy: 0.9756564223459188
Energy: 0.8765844830717336
Energy: 0.9661763657043749
Energy: 0.8754098410010113
Energy: 0.9863692135136464
Energy: 0.8754098410010113
Energy: 0.9909688874511356
Energy: 0.8788761944346031
Energy: 0.9624922570624609
Energy: 0.8788761944346031
Energy: 0.9877551616540148
Energy: 0.8563367960234701
Energy: 0.9408659481745043
Energy: 0.8563367960234701
Energy: 0.9773657672069045
Energy: 0.8575715633682071
Energy: 0.9755175795281446
Energy: 0.8575715633682071
Energy: 0.9313166744195998
Energy: 0.8473327684279927
Energy: 0.9863692391194279
Energy: 0.8473327684292439
Energy: 0.9654012920049876
Energy: 0.8553443004524897
Energy: 0.9947447722114261
Energy: 0.8553443004524897
Energy: 0.9935613930174558
Energy: 0.8442611574655569
Energy: 0.9234720119457016
Energy: 0.8442611574655569
Energy: 0.980805342268811
Energy: 0.843950881638292
Energy: 0.9668396013859529
Energy: 0.843950881638292
Energy: 0.9309697687371828
Energy: 0.84440320664729
Energy: 0.9584237386715505
Energy: 0.8444032066447873
Energy: 0.9306746753799243
Energy: 0.8577025989442579
Energy: 1.002271109725584
Energy: 0.8577025989442579

minimum gb energy = 0.843950881638292 eV
minimum distance =  2.31355145808704 Angstroms
sigma value = 15


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

Energy: 0.9682609683989074
Energy: 0.8145055178713613
Energy: 1.0432766471623978
Energy: 0.8145055178703013
Energy: 0.9229904011660206
Energy: 0.8672382214439766
Energy: 0.9142862226938416
Energy: 0.8672382214450367
Energy: 0.9136202044421196
Energy: 0.8045087775540175
Energy: 0.9430524640231297
Energy: 0.8045087775550778
Energy: 0.9106802023181532
Energy: 0.8165900009885951
Energy: 0.9143307109404047
Energy: 0.8165900009875351
Energy: 0.9296860081748217
Energy: 0.7928892440628963
Energy: 0.9073143152251789
Energy: 0.7928892440650165
Energy: 0.9104797490374352
Energy: 0.852074199870135
Energy: 0.9121533543384169
Energy: 0.852074199870135
Energy: 0.917636801813667
Energy: 0.7828240084845266
Energy: 0.9397182641894842
Energy: 0.7828240084845266
Energy: 0.9029992565769538
Energy: 0.8525531950953483
Energy: 0.9122599690770423
Energy: 0.8525531950942883
Energy: 0.9323215065070164
Energy: 0.7816881203332311
Energy: 0.8944988728604818
Energy: 0.7816881203321712
Energy: 0.902848911090992
Energy: 0.7983977958640756
Energy: 0.9144607616978686
Energy: 0.7983977958661955
Energy: 0.9062205338200031
Energy: 0.7817893646709354
Energy: 0.9110872963789443
Energy: 0.7817893646709354
Energy: 0.9125620626593893
Energy: 0.8181490319060629
Energy: 0.9139992131619225
Energy: 0.8181490319060629
Energy: 0.9131946629855978
Energy: 0.7818806064047407
Energy: 0.8940015499487031
Energy: 0.7818806064068607
Energy: 0.9127587012784713
Energy: 0.8096913409975287
Energy: 0.9073173615160098
Energy: 0.8096913409985887
Energy: 0.9078462478085366
Energy: 0.7819345835120773
Energy: 0.8975880595361262
Energy: 0.7819345835120773
Energy: 0.9120836086476632
Energy: 0.809686492729446
Energy: 0.9140448173091713
Energy: 0.8096864927305061
Energy: 0.9099695006461693
Energy: 0.781805500652017
Energy: 0.9058474069385916
Energy: 0.7818055006541371
Energy: 0.9197705013122651
Energy: 0.7905572542117094
Energy: 0.876738468999497
Energy: 0.7905572542117094
Energy: 0.8713718796352679
Energy: 0.7816501811789536
Energy: 0.8981808337632183
Energy: 0.7816501811778935
Energy: 0.905344100425074
Energy: 0.7981014768159418
Energy: 0.9079749764344817
Energy: 0.7981014768159418
Energy: 0.9214289018641456
Energy: 0.7832345151021143
Energy: 0.8788530804093575
Energy: 0.7832345150999942
Energy: 0.9218165622902489
Energy: 0.8451238922534777
Energy: 0.9038211933958046
Energy: 0.8451238922513576
Energy: 0.8799989106131797
Energy: 0.792764878744274
Energy: 0.9085995872865889
Energy: 0.7927648787453341
Energy: 0.9136556023851969
Energy: 0.8574218072415889
Energy: 0.9202506442303957
Energy: 0.8574218072426492
Energy: 0.9116223593371211
Energy: 0.8013320730847646
Energy: 0.8942389541357553
Energy: 0.8013320730837047
Energy: 0.8788146287562596
Energy: 0.8199456294343437
Energy: 0.922010292461208
Energy: 0.8199456294343437
Energy: 0.904895308892502
Energy: 0.8141199237090215
Energy: 0.9103791840317804
Energy: 0.8141199237090215
Energy: 0.9230648178789067
Energy: 0.825802700908605
Energy: 0.9204334592592542
Energy: 0.825802700908605
Energy: 0.91806263327191
Energy: 0.8013134058918325
Energy: 0.894253840161385
Energy: 0.8013134058928927
Energy: 0.9223226981486399
Energy: 0.8035479351622701
Energy: 0.9219756577347824
Energy: 0.80354793516121
Energy: 0.8799767539294966
Energy: 0.7928619845388634
Energy: 0.9100119526369445
Energy: 0.7928619845388634
Energy: 0.9135689391931258
Energy: 0.8033070042088888
Energy: 0.9083610646264968
Energy: 0.8033070042099488
Energy: 0.9171198526008562
Energy: 0.7831783439874932
Energy: 0.877019946752473
Energy: 0.783178343985373
Energy: 0.9199748923565206
Energy: 0.7882748155361894
Energy: 0.9044694379995531
Energy: 0.7882748155340694
Energy: 0.871077018874871
Energy: 0.7818836712268741
Energy: 0.9250713137754794
Energy: 0.7818836712247539
Energy: 0.9062491702281201
Energy: 0.7975987213582296
Energy: 0.9145718659163443
Energy: 0.7975987213592898
Energy: 0.9024045944578204
Energy: 0.7820626699612353
Energy: 0.9061771011791405
Energy: 0.7820626699601751

minimum gb energy = 0.7816501811778935 eV
minimum distance =  2.31690174155756 Angstroms
sigma value = 85


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

Energy: 0.95125351707322
Energy: 0.7585920517642376
Energy: 0.920740221312038
Energy: 0.7585920517633183
Energy: 0.8296799576537696
Energy: 0.7608818058250507
Energy: 0.8352740557411437
Energy: 0.76088180582597
Energy: 0.8283958725939553
Energy: 0.7569351077686846
Energy: 0.9149298829379009
Energy: 0.7569351077686846
Energy: 0.8222679314016909
Energy: 0.7582315766367652
Energy: 0.8351508546960373
Energy: 0.7582315766367652
Energy: 0.8974412569654266
Energy: 0.72411028268504
Energy: 0.8284642785482976
Energy: 0.72411028268504
Energy: 0.8223390009808874
Energy: 0.6707291035200238
Energy: 0.8296129996296361
Energy: 0.6707291035200238
Energy: 0.8416963734513694
Energy: 0.7256105374960075
Energy: 0.877077414861795
Energy: 0.7256105374960075
Energy: 0.8324362788699591
Energy: 0.7693020580725305
Energy: 0.8295229112309759
Energy: 0.76930205807345
Energy: 0.8816729501041061
Energy: 0.7078396713741288
Energy: 0.8570628279234238
Energy: 0.7078396713750481
Energy: 0.8325476294621571
Energy: 0.7817406035471617
Energy: 0.836146872586809
Energy: 0.7817406035471617
Energy: 0.8175646228031226
Energy: 0.7078419441342668
Energy: 0.8687618414366793
Energy: 0.7078419441342668
Energy: 0.8525352242595458
Energy: 0.7214593674953781
Energy: 0.8356216723744204
Energy: 0.7214593674953781
Energy: 0.8411004563447909
Energy: 0.7080952437113482
Energy: 0.834679338877855
Energy: 0.7080952437113482
Energy: 0.852290254813926
Energy: 0.7528179272418357
Energy: 0.8511671337637066
Energy: 0.7528179272418357
Energy: 0.8140232199860569
Energy: 0.7080431322836783
Energy: 0.84513951299634
Energy: 0.7080431322836783
Energy: 0.8463057214308752
Energy: 0.752014790365117
Energy: 0.85086434810115
Energy: 0.752014790365117
Energy: 0.8178024604543138
Energy: 0.7078953660518612
Energy: 0.8343459176580692
Energy: 0.7078953660518612
Energy: 0.8520670710483804
Energy: 0.7517422762122985
Energy: 0.8507901888899173
Energy: 0.7517422762132179
Energy: 0.8298297515904133
Energy: 0.7079207594487791
Energy: 0.8400516267569879
Energy: 0.7079207594496983
Energy: 0.817596938833407
Energy: 0.7208686791951807
Energy: 0.8497325398224908
Energy: 0.7208686791951807
Energy: 0.8166197606861244
Energy: 0.7079055064336908
Energy: 0.8072170484858661
Energy: 0.7079055064336908
Energy: 0.8329401858274424
Energy: 0.7226663903467286
Energy: 0.8363565430425172
Energy: 0.7226663903467286
Energy: 0.8124283347614043
Energy: 0.7073631723032657
Energy: 0.8547740490150277
Energy: 0.7073631723032657
Energy: 0.8326058721206845
Energy: 0.7685330462309302
Energy: 0.8251633216178925
Energy: 0.7685330462318496
Energy: 0.8445201544515215
Energy: 0.7248273055379372
Energy: 0.8113011847024018
Energy: 0.7248273055379372
Energy: 0.822366443283076
Energy: 0.7611335237644791
Energy: 0.829704413389049
Energy: 0.7611335237644791
Energy: 0.8309276573008669
Energy: 0.7240729941022905
Energy: 0.8291527893013995
Energy: 0.724072994101371
Energy: 0.8417715316538616
Energy: 0.7644368826582639
Energy: 0.8162050113322614
Energy: 0.7644368826582639
Energy: 0.8268920328190288
Energy: 0.7568057492823512
Energy: 0.8294098645060641
Energy: 0.7568057492823512
Energy: 0.812296587868408
Energy: 0.7605807638129208
Energy: 0.8353004591747438
Energy: 0.7605807638129208
Energy: 0.8642921020073864
Energy: 0.7585189241534129
Energy: 0.8308121679896063
Energy: 0.7585189241534129
Energy: 0.8626133100402756
Energy: 0.7265077847904579
Energy: 0.8158191992350508
Energy: 0.7265077847904579
Energy: 0.8268071009935206
Energy: 0.7568438190182893
Energy: 0.8296086692884718
Energy: 0.7568438190182893
Energy: 0.8221534149677716
Energy: 0.7074277526978454
Energy: 0.8352576983860264
Energy: 0.7074277526978454
Energy: 0.8309296410618929
Energy: 0.7241066136496287
Energy: 0.8305224653582948
Energy: 0.7241066136496287
Energy: 0.8416276862142319
Energy: 0.707662341058306
Energy: 0.8252447529736637
Energy: 0.7076623410573867
Energy: 0.8417429131352608
Energy: 0.7247367848233112
Energy: 0.8111616855723611
Energy: 0.7247367848233112
Energy: 0.8331455519449725
Energy: 0.7072153008454796
Energy: 0.8297034143386982
Energy: 0.7072153008445601
Energy: 0.8124986544766407
Energy: 0.7075070765600107
Energy: 0.8545873650019049
Energy: 0.7075070765600107
Energy: 0.8351783470458923
Energy: 0.7070517952046398
Energy: 0.8498981394976534
Energy: 0.7070517952046398
Energy: 0.8148776406457006
Energy: 0.7073789433571924
Energy: 0.8071723803589582
Energy: 0.7073789433571924
Energy: 0.8525158378171738
Energy: 0.722650874913848
Energy: 0.8359977343268716
Energy: 0.722650874913848
Energy: 0.8296814455648841
Energy: 0.7065794715894101
Energy: 0.836942570606289
Energy: 0.7065794715903297

minimum gb energy = 0.6707291035200238 eV
minimum distance =  2.32513769200411 Angstroms
sigma value = 113


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

Energy: 0.014950600539569972
Energy: 0.015169684506262186
Energy: 1.4752274916767882
Energy: 0.015169684506262186
Energy: 0.015606369753158265
Energy: 0.6811033000565838
Energy: 0.015606369753158265
Energy: 0.6811033000565838
Energy: 1.3319290439673424
Energy: 0.015169684506262186
Energy: 0.014950600539569972
Energy: 0.015169684506262186
Energy: 0.015606369753865038
Energy: 0.6811033000565838
Energy: 0.015606369752490754
Energy: 0.6811033000559163
Energy: 0.014950600539569972
Energy: 0.015169684506262186
Energy: 1.4752274916767882
Energy: 0.015169684506262186
Energy: 0.015606369753865038
Energy: 0.6811033000565838
Energy: 0.015606369753158265
Energy: 0.6811033000565838

minimum gb energy = 0.014950600539569972 eV
minimum distance =  2.45802806549885 Angstroms
sigma value = 1