Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001
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=4.290547130055596
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.3413364624292e-19, 5.56642625773986e-19, 5.76580111807482e-19, 5.942585287870379e-19, 6.09914998854486e-19, 6.2374338538253995e-19, 6.35899099504698e-19, 6.465183262348499e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013185823249874839
Energy: 1.1063673031369219
Energy: 1.9735114982788378
Energy: 0.013477264402870531
Energy: 1.1063673031369219
Energy: 0.2257831344854745
Energy: 1.1051575380807752
Energy: 0.2257831344854745
Energy: 1.9735114982778659
Energy: 1.1051575380798035
Energy: 1.4332898129738838
Energy: 1.1051575380788317
Energy: 0.013477264402870531
Energy: 0.2257831344854745
Energy: 1.1051575380817469
Energy: 0.2257831344854745

minimum gb energy = 0.013185823249874839 eV
minimum distance =  2.43810932782709 Angstroms
sigma value = 1


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

Energy: 2.154511838776601
Energy: 1.0062461868272339
Energy: 1.1661583662666533
Energy: 1.0261327366517778
Energy: 1.8616256248069585
Energy: 0.8957380367172477
Energy: 0.8966950210312331
Energy: 0.8957380367160357
Energy: 1.8497427860613225
Energy: 0.8959324655253215
Energy: 0.8963835950000971
Energy: 0.8959324655241093
Energy: 1.8610052142837321
Energy: 0.8958373286780899
Energy: 0.8959399374446189
Energy: 0.8958373286780899
Energy: 1.5338866284231385
Energy: 0.9028197665356265
Energy: 1.2140604437991027
Energy: 0.9028197665368387
Energy: 1.8611453759524978
Energy: 0.8952517179831416
Energy: 1.1700724486929928
Energy: 0.8952517179843539
Energy: 1.6686428852186992
Energy: 0.8952025838807752
Energy: 1.1727862058627698
Energy: 0.8952025838819875
Energy: 1.539648024368782
Energy: 0.8951144179896063
Energy: 1.1744522012709149
Energy: 0.8951144179908185
Energy: 1.3471530136166532
Energy: 0.8978578607401299
Energy: 1.5783327517682504
Energy: 0.8978578607389177
Energy: 1.537919293092313
Energy: 0.9637709140945572
Energy: 1.5491454057759366
Energy: 0.9637709140945572
Energy: 1.4921270767656285
Energy: 0.8970146364748321
Energy: 1.4421363784371801
Energy: 0.8970146364760443
Energy: 1.1734877672028345
Energy: 0.8949179630578737
Energy: 1.5351956256654269
Energy: 0.8949179630578737
Energy: 1.1729443803627486
Energy: 0.895194751390074
Energy: 1.5357955841240785
Energy: 0.8951947513912862
Energy: 1.1571251703219272
Energy: 0.8952211683995807
Energy: 1.861166532278714
Energy: 0.8952211683983685
Energy: 1.180129456298963
Energy: 0.9025401464129355
Energy: 1.6247755629767437
Energy: 0.9025401464117233
Energy: 0.8960629386006859
Energy: 0.8960899979200959
Energy: 1.8527367898361604
Energy: 0.8960899979188836
Energy: 0.8957416800122571
Energy: 0.8960902514896878
Energy: 1.8554620528175552
Energy: 0.8960902514896878
Energy: 0.8949699065892047
Energy: 0.895493892062367
Energy: 1.8623959083560022
Energy: 0.895493892062367
Energy: 0.8956830535302279
Energy: 0.8956911267685596
Energy: 1.736013916974271
Energy: 0.8956911267709841
Energy: 0.9786638664876592
Energy: 0.8954997840523593
Energy: 1.8540947451999563
Energy: 0.8954997840523593
Energy: 0.9957181009970613
Energy: 0.8954765845141945
Energy: 1.858267151969909
Energy: 0.8954765845129824
Energy: 0.9959830916452649
Energy: 0.895226571002641
Energy: 1.740837048087174
Energy: 0.8952265710038533
Energy: 1.002346481840947
Energy: 0.8952229900725142
Energy: 1.534234891374369
Energy: 0.8952229900652409
Energy: 1.3506005372080518
Energy: 0.8955654328569256
Energy: 1.7401616301895333
Energy: 0.8955654328581378
Energy: 1.3490552732553247
Energy: 0.8959251290664075
Energy: 1.7405971543579433
Energy: 0.8959251290664075
Energy: 1.350299777685053
Energy: 0.9671929302369239
Energy: 1.348214635481799
Energy: 0.967192930238136
Energy: 1.3493415590901097
Energy: 0.9651966744399411
Energy: 1.34853942337083
Energy: 0.9651966744411534
Energy: 1.7408069686927292
Energy: 0.8958952194167025
Energy: 1.3497714715810234
Energy: 0.8958952194167025
Energy: 1.624985823831969
Energy: 0.8953567875034478
Energy: 1.3605663464572948
Energy: 0.8953567875022357
Energy: 1.6245463224637355
Energy: 0.8953205624101248
Energy: 0.9954362122074083
Energy: 0.8953205624101248
Energy: 1.7413087403081187
Energy: 0.8955322515946488
Energy: 0.9963981330780199
Energy: 0.8955322515958057
Energy: 1.858403165528459
Energy: 0.9237593595446782
Energy: 0.9811318483828049
Energy: 0.9237593595446782
Energy: 1.8455846848772273
Energy: 0.8960565137621821
Energy: 0.9791623543507155
Energy: 0.8960565137633943

minimum gb energy = 0.8949179630578737 eV
minimum distance =  2.35412612645275 Angstroms
sigma value = 1


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

Energy: 2.4245942940697263
Energy: 1.0553885749950822
Energy: 0.9291047205818146
Energy: 1.1130984121118304
Energy: 1.7827931288912313
Energy: 0.9285960161460609
Energy: 0.9282037348171078
Energy: 0.9285960161460609
Energy: 1.781051845529119
Energy: 0.9278589931164045
Energy: 0.926679833917407
Energy: 0.9278589931164045
Energy: 1.7823893624803604
Energy: 0.9280522852426801
Energy: 0.9284071370339833
Energy: 0.9280522852426801
Energy: 1.5469008574141532
Energy: 0.9281737813138046
Energy: 1.1251775313599262
Energy: 0.9281737813138046
Energy: 1.7823665036768979
Energy: 0.9276979072179754
Energy: 1.1241504353465042
Energy: 0.9276979072179754
Energy: 1.7822683323785489
Energy: 0.9283151247708634
Energy: 1.141842247692214
Energy: 0.9283151247708634
Energy: 1.5495491682272866
Energy: 0.9302716501360759
Energy: 1.141053416988738
Energy: 0.9302716501360759
Energy: 1.5493312900417378
Energy: 1.012638214248642
Energy: 1.3939899476385402
Energy: 1.01263821424726
Energy: 1.5489581825184147
Energy: 1.0133413035224863
Energy: 1.5481666760974822
Energy: 1.0133413035224863
Energy: 1.5490463935259202
Energy: 1.0125326149390248
Energy: 1.3237060181952658
Energy: 1.012532614937643
Energy: 1.1413751461778263
Energy: 0.9286433650428353
Energy: 1.3252760824485228
Energy: 0.9286433650428353
Energy: 1.1415213901866812
Energy: 0.9276469603910162
Energy: 1.548694031377641
Energy: 0.9276469603910162
Energy: 1.1252618122655158
Energy: 0.9283504552879449
Energy: 1.7829268244609295
Energy: 0.9283504552879449
Energy: 1.1252194811551117
Energy: 0.9282439880718651
Energy: 1.764483252670853
Energy: 0.9282439880718651
Energy: 0.9278197639091034
Energy: 0.9277527581410313
Energy: 1.763407429882026
Energy: 0.9277527581410313
Energy: 0.9273116724200042
Energy: 0.9277218056124192
Energy: 1.7823158689730119
Energy: 0.9277218056124192
Energy: 0.9274158575639069
Energy: 0.9288061364640638
Energy: 1.7826673745059631
Energy: 0.9288061364654459
Energy: 0.9279389633329936
Energy: 0.9283733586538071
Energy: 1.5465113300202726
Energy: 0.928373358652425
Energy: 1.1245764472011126
Energy: 0.9276178097963704
Energy: 1.7822401891052595
Energy: 0.9276178097963704
Energy: 1.1408864482765266
Energy: 0.9279110691246103
Energy: 1.7812330728040702
Energy: 0.9279110691259924
Energy: 1.140867654103366
Energy: 0.9301512040504704
Energy: 1.5489629588755798
Energy: 0.9301512040504704
Energy: 1.1413042407110154
Energy: 1.0120805393011176
Energy: 1.549216357074653
Energy: 1.0120805393011176
Energy: 1.5486810471720016
Energy: 1.0127901760277636
Energy: 1.5492509629062212
Energy: 1.0127901760277636
Energy: 1.3235049147973674
Energy: 1.0133367453601085
Energy: 1.5506409302221498
Energy: 1.0133367453601085
Energy: 1.3236092542282232
Energy: 0.9288338409771023
Energy: 1.1903069952814582
Energy: 0.9288338409771023
Energy: 1.5489411355737372
Energy: 0.9276340866269757
Energy: 1.1407306358620217
Energy: 0.9276340866283578
Energy: 1.7826326381191775
Energy: 0.927851763312079
Energy: 1.1249796450826355
Energy: 0.927851763312079
Energy: 1.764170779937015
Energy: 0.9281027200983698
Energy: 1.1253460437209413
Energy: 0.9281027200983698

minimum gb energy = 0.926679833917407 eV
minimum distance =  2.35876806608414 Angstroms
sigma value = 25


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

Energy: 2.2863147241602126
Energy: 1.0863247263389244
Energy: 0.9910578514798237
Energy: 1.1127744557526875
Energy: 1.6829989146891058
Energy: 0.9908544895019709
Energy: 0.9915594654316094
Energy: 0.9908544895019709
Energy: 1.6794612384434169
Energy: 0.9901216275989547
Energy: 0.9900564989909442
Energy: 0.990121627597348
Energy: 1.679522464377636
Energy: 0.9907888587598032
Energy: 0.9910033845079058
Energy: 0.9907888587598032
Energy: 1.5630081337562118
Energy: 1.0163345214616057
Energy: 1.3046748651994629
Energy: 1.0163345214632127
Energy: 1.6791810570587955
Energy: 0.9913427473964825
Energy: 1.317761135434904
Energy: 0.9913427473964825
Energy: 1.6793959879008837
Energy: 1.0796213656497058
Energy: 1.355218523785678
Energy: 1.0796213656497058
Energy: 1.353861407346208
Energy: 1.0801666350939452
Energy: 1.3510339212455513
Energy: 1.0801666350923382
Energy: 1.355708621716596
Energy: 1.0802403473265916
Energy: 1.4817986916392014
Energy: 1.0802403473265916
Energy: 1.3179090865737713
Energy: 1.0081493203614698
Energy: 1.678757902918037
Energy: 1.0081493203614698
Energy: 1.3329332397199578
Energy: 1.0163927969579618
Energy: 1.6778785615706984
Energy: 1.0163927969579618
Energy: 0.9902502013365582
Energy: 0.9906507458421572
Energy: 1.6769755116608072
Energy: 0.9906507458421572
Energy: 0.9893558038774256
Energy: 0.9902606556092832
Energy: 1.682952723471027
Energy: 0.9902606556076766
Energy: 0.9909662310729322
Energy: 1.0351470884515872
Energy: 1.681295502396575
Energy: 1.0351470884515872
Energy: 0.9899649988274877
Energy: 1.0085338966360096
Energy: 1.5616995358097077
Energy: 1.0085338966376163
Energy: 1.109266040990865
Energy: 0.9907747266851163
Energy: 1.6769564424265206
Energy: 0.9907747266851163
Energy: 1.1263455637171327
Energy: 0.9899774207466991
Energy: 1.682018184146233
Energy: 0.9899774207466991
Energy: 1.1270395490821832
Energy: 0.9905779039320898
Energy: 1.5599154749622626
Energy: 0.9905779039320898
Energy: 1.1461830753157958
Energy: 0.9901073719644954
Energy: 1.352970201799235
Energy: 0.9901073719628887
Energy: 1.5599838509566613
Energy: 1.0839452904104316
Energy: 1.560427514950341
Energy: 1.0839452904104316
Energy: 1.4470805779893536
Energy: 0.990131853198508
Energy: 1.5603859703743714
Energy: 0.990131853198508
Energy: 1.446856024984213
Energy: 0.990281282588423
Energy: 1.1278101350415488
Energy: 0.990281282588423
Energy: 1.5606731361407897
Energy: 0.990404940215398
Energy: 1.1263266317570424
Energy: 0.990404940215398
Energy: 1.6826881435181806
Energy: 0.9902832762149516
Energy: 1.1207772298734906
Energy: 0.9902832762149516
Energy: 1.6760531025854015
Energy: 0.9908899965664254
Energy: 1.0930952852049873
Energy: 0.9908899965664254

minimum gb energy = 0.9893558038774256 eV
minimum distance =  2.34606902004195 Angstroms
sigma value = 9


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

Energy: 2.0267150959568165
Energy: 1.0175098815359442
Energy: 1.0198701979237965
Energy: 1.2051412341660463
Energy: 1.566122755364581
Energy: 1.0917322752967027
Energy: 1.0199121019126005
Energy: 1.0917322752965066
Energy: 1.5666424005302837
Energy: 1.0196604510100142
Energy: 1.0157669831946843
Energy: 1.0196604510102105
Energy: 1.5640194601265376
Energy: 1.017323209245943
Energy: 1.0173320224389082
Energy: 1.0173232092461173
Energy: 1.3048184667730922
Energy: 1.0208498506009693
Energy: 1.2724678993126275
Energy: 1.0208498506013395
Energy: 1.56553134559081
Energy: 1.0894678863408829
Energy: 1.2743852806269191
Energy: 1.0894678863408829
Energy: 1.5666904494615799
Energy: 1.0173704437048259
Energy: 1.0003651039784165
Energy: 1.0173704437046518
Energy: 1.315888897909698
Energy: 1.1379389248108736
Energy: 1.313347792756446
Energy: 1.1379389248106777
Energy: 1.314644747622616
Energy: 1.1411200717730274
Energy: 1.5667491649023957
Energy: 1.1411200717734193
Energy: 1.3651331228757966
Energy: 1.01754357378769
Energy: 1.565700378672465
Energy: 1.0175435737871237
Energy: 1.2730111095571826
Energy: 1.020775381214552
Energy: 1.5326302594699652
Energy: 1.020775381214552
Energy: 1.0159378136360133
Energy: 1.01733281057923
Energy: 1.5338497935947866
Energy: 1.0173328105782717
Energy: 1.0172621973980716
Energy: 1.01961766536178
Energy: 1.5653933319883329
Energy: 1.019617665361976
Energy: 1.01934144570807
Energy: 1.0940461216723831
Energy: 1.5658700296518475
Energy: 1.094046121672579
Energy: 1.0201210778662158
Energy: 1.0210597894513842
Energy: 1.3049314122178615
Energy: 1.0210597894517548
Energy: 1.2724905398901176
Energy: 1.090506332679348
Energy: 1.5638484784058446
Energy: 1.090506332679152
Energy: 1.0004595290193974
Energy: 1.0198162527747934
Energy: 1.5667869048736012
Energy: 1.0198162527747934
Energy: 1.0006988365896587
Energy: 1.14130297420463
Energy: 1.3652228012867762
Energy: 1.14130297420463
Energy: 1.314315617046552
Energy: 1.1413459431334143
Energy: 1.31369013838268
Energy: 1.1413459431334143
Energy: 1.5669271515443899
Energy: 1.1407178063994114
Energy: 1.3662938040560086
Energy: 1.1407178063992156
Energy: 1.5337856100329281
Energy: 1.0202216163052382
Energy: 1.273097519829864
Energy: 1.0202216163050424

minimum gb energy = 1.0003651039784165 eV
minimum distance =  2.35631996274829 Angstroms
sigma value = 25


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

Energy: 1.7733048729289922
Energy: 1.1226300808523137
Energy: 1.1233128840583981
Energy: 1.1456521925152905
Energy: 1.4343082705216008
Energy: 1.2289824047308537
Energy: 1.2293836407425573
Energy: 1.2289824047308537
Energy: 1.3794040711997853
Energy: 1.1212845328792391
Energy: 1.1207902101060498
Energy: 1.1212845328792391
Energy: 1.4307755056036766
Energy: 1.1388427609855958
Energy: 1.1384285635602511
Energy: 1.138842760985138
Energy: 1.3127698819484206
Energy: 1.161470199280682
Energy: 1.3786367809674036
Energy: 1.161470199280682
Energy: 1.3790697557106475
Energy: 1.191824016779118
Energy: 1.3811767124630654
Energy: 1.1918240167788756
Energy: 1.3789680272507474
Energy: 1.1612480877423386
Energy: 1.4455085679727209
Energy: 1.1612480877425544
Energy: 1.1215250355577873
Energy: 1.1223022850361795
Energy: 1.4474848756001335
Energy: 1.1223022850356947
Energy: 1.120082360743913
Energy: 1.1212735279209636
Energy: 1.4317897468158403
Energy: 1.1212735279204784
Energy: 1.2290886004739479
Energy: 1.1538279196121455
Energy: 1.4334251754923726
Energy: 1.1538279196126302
Energy: 1.1371301606292965
Energy: 1.12268472909697
Energy: 1.4259289507285984
Energy: 1.1226847290974549
Energy: 1.265047633555563
Energy: 1.1529855199491117
Energy: 1.427217684958903
Energy: 1.1529855199488692
Energy: 1.3171228027693458
Energy: 1.121192313168975
Energy: 1.431868992832661
Energy: 1.121192313168248
Energy: 1.3170136696063066
Energy: 1.1214115139103877
Energy: 1.3200544680833617
Energy: 1.1214115139101453
Energy: 1.379383539916241
Energy: 1.1214528319800967
Energy: 1.317943219685152
Energy: 1.1214528319800967
Energy: 1.4324370034092913
Energy: 1.1214766548604707
Energy: 1.3793533621237601
Energy: 1.1214766548600126
Energy: 1.3776653570716142
Energy: 1.1214893720214065
Energy: 1.263299217108524
Energy: 1.1214893720216488

minimum gb energy = 1.120082360743913 eV
minimum distance =  2.31981073152565 Angstroms
sigma value = 17


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

Energy: 1.6280173244227525
Energy: 1.1918550037259026
Energy: 1.1910800805087007
Energy: 1.1803895920877268
Energy: 1.3785060081867524
Energy: 1.3159711423843503
Energy: 1.3160919313226183
Energy: 1.3159711423830078
Energy: 1.3914399904058792
Energy: 1.1905091121353921
Energy: 1.1905820978836872
Energy: 1.1905091121340499
Energy: 1.3828724429614114
Energy: 1.1945734557587233
Energy: 1.1944642721043348
Energy: 1.1945734557573806
Energy: 1.38061958680922
Energy: 1.227723178865101
Energy: 1.3800567956690641
Energy: 1.227723178865101
Energy: 1.3916415171233905
Energy: 1.1639857198844705
Energy: 1.3820091216268535
Energy: 1.1639857198844705
Energy: 1.3381500630275462
Energy: 1.1627736991698288
Energy: 1.375855540142015
Energy: 1.1627736991698288
Energy: 1.220507328065067
Energy: 1.2208420132165867
Energy: 1.4069346730587058
Energy: 1.2208420132152444
Energy: 1.176889346707877
Energy: 1.1619038593532465
Energy: 1.3908572254783633
Energy: 1.1619038593545887
Energy: 1.1814169599239666
Energy: 1.1751642561917575
Energy: 1.3908008902036513
Energy: 1.1751642561917575
Energy: 1.1865182194524553
Energy: 1.1649458155649235
Energy: 1.3772928651129515
Energy: 1.164945815563581
Energy: 1.3886221291025036
Energy: 1.1827497749470062
Energy: 1.3931193694908737
Energy: 1.1827497749470062
Energy: 1.3789328275762036
Energy: 1.183173414070243
Energy: 1.387341269124904
Energy: 1.183173414070243
Energy: 1.3787717045693542
Energy: 1.16257880478249
Energy: 1.185358186430473
Energy: 1.1625788047838328
Energy: 1.391005583489154
Energy: 1.161904180383398
Energy: 1.1808044517189704
Energy: 1.1619041803820558
Energy: 1.390970205438834
Energy: 1.1624539608115128
Energy: 1.20115728588456
Energy: 1.1624539608115128
Energy: 1.3954013240488805
Energy: 1.1617551868900582
Energy: 1.1630073142600896
Energy: 1.1617551868914004
Energy: 1.395308681566129
Energy: 1.1739832204472394
Energy: 1.3525110936487688
Energy: 1.1739832204472394
Energy: 1.380882634258986
Energy: 1.1623432915251077
Energy: 1.3790869603654685
Energy: 1.16234329152645
Energy: 1.1909665854432538
Energy: 1.2273938746495094
Energy: 1.3655559819743952
Energy: 1.2273938746495094
Energy: 1.1938397654928923
Energy: 1.1940988717379908
Energy: 1.377548962565258
Energy: 1.1940988717379908
Energy: 1.1918047196961394
Energy: 1.1907873226380339
Energy: 1.3783257367150414
Energy: 1.1907873226380339
Energy: 1.3169973904022896
Energy: 1.301168676625443
Energy: 1.3871367803214363
Energy: 1.3011686766267854
Energy: 1.258706391695331
Energy: 1.1919706987464842
Energy: 1.3943640875816892
Energy: 1.1919706987464842
Energy: 1.3447649773226122
Energy: 1.191176570553592
Energy: 1.3779871443385754
Energy: 1.1911765705549344
Energy: 1.2948419123828108
Energy: 1.1903526707902927
Energy: 1.3791421759957578
Energy: 1.1903526707902927
Energy: 1.3086931409113214
Energy: 1.229369723452354
Energy: 1.2986565568785096
Energy: 1.2293697234510115
Energy: 1.392332247676266
Energy: 1.1905966024278172
Energy: 1.2952286412560936
Energy: 1.1905966024291597
Energy: 1.3784364473653978
Energy: 1.1906904388385877
Energy: 1.4218122003574902
Energy: 1.1906904388385877
Energy: 1.4019805939874739
Energy: 1.1920000408288276
Energy: 1.2446748956388265
Energy: 1.1920000408288276

minimum gb energy = 1.1617551868900582 eV
minimum distance =  2.29990194488367 Angstroms
sigma value = 53


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

Energy: 1.1311087318906534
Energy: 1.1696659925366168
Energy: 1.1712311095792258
Energy: 1.138677638399067
Energy: 1.1721389515755736
Energy: 1.171904462873485
Energy: 1.2222868821827044
Energy: 1.171904462873485
Energy: 1.310945538809022
Energy: 1.1774859009069507
Energy: 1.2202116622454773
Energy: 1.177485900907267
Energy: 1.308951657876805
Energy: 1.2228241154939763
Energy: 1.3074214461803721
Energy: 1.2228241154945734
Energy: 1.3088072821116674
Energy: 1.1745753758911612
Energy: 1.2232218787573341
Energy: 1.174575375890529
Energy: 1.3094808881509217
Energy: 1.1746801076978086
Energy: 1.3070406463709723
Energy: 1.1746801076972118
Energy: 1.3091172758509477
Energy: 1.1784811893526628
Energy: 1.134778347153561
Energy: 1.1784811893532952
Energy: 1.220541755162577
Energy: 1.1756855018165986
Energy: 1.1351906021123666
Energy: 1.1756855018165986
Energy: 1.222842927134881
Energy: 1.175111684376201
Energy: 1.309170738887333
Energy: 1.175111684376201
Energy: 1.2203770357220698
Energy: 1.1782312834236528
Energy: 1.310737297398725
Energy: 1.1782312834242852
Energy: 1.2206849624272833
Energy: 1.1694833504698448
Energy: 1.3087131107206122
Energy: 1.1694833504695286
Energy: 1.3084230499269005
Energy: 1.2202075718257936
Energy: 1.3086530026088796
Energy: 1.2202075718254777
Energy: 1.1351291900861291
Energy: 1.178630977707473
Energy: 1.3106784738620378
Energy: 1.178630977707473

minimum gb energy = 1.1311087318906534 eV
minimum distance =  2.32553760718889 Angstroms
sigma value = 9


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

Energy: 2.002738578036175
Energy: 1.375209693650628
Energy: 1.4073784408699583
Energy: 1.357304422519002
Energy: 1.423621406969805
Energy: 1.3594327791991592
Energy: 1.4395253078103374
Energy: 1.3594327791980152
Energy: 1.3533033111939636
Energy: 1.3215651243345676
Energy: 1.3348435979403195
Energy: 1.3215651243334239
Energy: 1.352440962263187
Energy: 1.324460631455087
Energy: 1.3322784228015871
Energy: 1.324460631455087
Energy: 1.3311035288569988
Energy: 1.3192531279043305
Energy: 1.3690305319665006
Energy: 1.3192531279054744
Energy: 1.4273329628841807
Energy: 1.3482052750634212
Energy: 1.4117185878786842
Energy: 1.3482052750611335
Energy: 1.4395411655624437
Energy: 1.4404462164869025
Energy: 1.6421964207439597
Energy: 1.4404462164857588
Energy: 1.5343843288670416
Energy: 1.4391072899539936
Energy: 1.57980020089137
Energy: 1.4391072899539936
Energy: 1.5196740781478077
Energy: 1.2541140577964573
Energy: 1.4406882173139834
Energy: 1.254114057797601
Energy: 1.3940199842357557
Energy: 1.2535317506388024
Energy: 1.254643473451569
Energy: 1.2535317506410901
Energy: 1.5030805009251422
Energy: 1.2542249748393866
Energy: 1.2515280064438326
Energy: 1.2542249748405303
Energy: 1.477294623860887
Energy: 1.3290600735617204
Energy: 1.3315926471437194
Energy: 1.3290600735594327
Energy: 1.5814659434175902
Energy: 1.3283753334969572
Energy: 1.328061859622215
Energy: 1.3283753334969572
Energy: 1.5812997714281962
Energy: 1.3285731582226743
Energy: 1.5282844253553451
Energy: 1.3285731582215303
Energy: 1.4792918244012956
Energy: 1.2597083489507745
Energy: 1.5272368580646456
Energy: 1.2597083489507745
Energy: 1.3458081042578796
Energy: 1.2467728928527841
Energy: 1.5532789260091238
Energy: 1.2467728928527841
Energy: 1.2450549703034435
Energy: 1.2460554899908192
Energy: 1.6021792771285102
Energy: 1.2460554899896752
Energy: 1.3233816852891265
Energy: 1.317754349120761
Energy: 1.5498203512549216
Energy: 1.317754349120761
Energy: 1.2682879835380665
Energy: 1.2706411192774247
Energy: 1.5854614904049145
Energy: 1.2706411192774247
Energy: 1.3710124993572823
Energy: 1.2966605258053705
Energy: 1.5987392973004444
Energy: 1.2966605258076582
Energy: 1.4942951258691914
Energy: 1.2794635357956865
Energy: 1.4937396630330788
Energy: 1.2794635357956865
Energy: 1.526832845407198
Energy: 1.270769797045972
Energy: 1.4929971138822846
Energy: 1.270769797045972
Energy: 1.5249415395777228
Energy: 1.2710380468128324
Energy: 1.2703316051995355
Energy: 1.2710380468128324
Energy: 1.5277958450951545
Energy: 1.2946315151239935
Energy: 1.2706487289360502
Energy: 1.2946315151239935
Energy: 1.605844175281453
Energy: 1.2459828690062404
Energy: 1.2431994447453991
Energy: 1.2459828690062404
Energy: 1.4751098839795453
Energy: 1.2462229632902802
Energy: 1.246344044400157
Energy: 1.2462229632902802
Energy: 1.5492184504721944
Energy: 1.24550923441375
Energy: 1.4994277566343832
Energy: 1.24550923441375
Energy: 1.5266926659710105
Energy: 1.3337838831592748
Energy: 1.636057076114488
Energy: 1.3337838831615625
Energy: 1.3276880340846178
Energy: 1.337848122379712
Energy: 1.6441370666646526
Energy: 1.337848122379712
Energy: 1.326928636745374
Energy: 1.3757428127680655
Energy: 1.5608850481102252
Energy: 1.3757428127692093
Energy: 1.2539666259355788
Energy: 1.3277832201334905
Energy: 1.5127755912448675
Energy: 1.3277832201357782
Energy: 1.254452519087391
Energy: 1.2547843834227983
Energy: 1.4888090449630682
Energy: 1.2547843834227983
Energy: 1.2536215439439713
Energy: 1.2551978119095668
Energy: 1.4760262576726628
Energy: 1.2551978119095668
Energy: 1.423834954755846
Energy: 1.3488102982254715
Energy: 1.522619179390696
Energy: 1.3488102982243277
Energy: 1.6431397035152715
Energy: 1.4222404384532044
Energy: 1.4830768840667101
Energy: 1.4222404384520604

minimum gb energy = 1.2431994447453991 eV
minimum distance =  2.29089599530331 Angstroms
sigma value = 73


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

Energy: 1.7845034932613246
Energy: 1.4062904384155221
Energy: 1.4136622745348006
Energy: 1.3800563529163428
Energy: 1.4585695176164775
Energy: 1.3472558396731866
Energy: 1.4286311473104147
Energy: 1.347255839673001
Energy: 1.3571489410398048
Energy: 1.3155427838221836
Energy: 1.3546603144571092
Energy: 1.315542783821833
Energy: 1.3554843072028253
Energy: 1.3173815548116175
Energy: 1.351050852817232
Energy: 1.3173815548112464
Energy: 1.3495682878216089
Energy: 1.327244009219339
Energy: 1.3790295876438121
Energy: 1.3272440092186173
Energy: 1.4118744076738274
Energy: 1.3591398980224576
Energy: 1.458486225980123
Energy: 1.3591398980230143
Energy: 1.4298782986103789
Energy: 1.4305642148186761
Energy: 1.5889291479215801
Energy: 1.4305642148186761
Energy: 1.5750345963398358
Energy: 1.4300044037125634
Energy: 1.588693063911074
Energy: 1.4300044037122126
Energy: 1.5598390703669653
Energy: 1.240107014782771
Energy: 1.4577926879170497
Energy: 1.2401070147822142
Energy: 1.4427904279908752
Energy: 1.2424743720589746
Energy: 1.2401122585362379
Energy: 1.2424743720589746
Energy: 1.5576368792073996
Energy: 1.239876430882184
Energy: 1.2365471758394806
Energy: 1.2398764308816477
Energy: 1.497082718122293
Energy: 1.374543937798199
Energy: 1.2718519620889273
Energy: 1.374543937798199
Energy: 1.55082899993333
Energy: 1.2721645003081827
Energy: 1.272124452959808
Energy: 1.2721645003078321
Energy: 1.550715168552678
Energy: 1.272852803722557
Energy: 1.508598430851069
Energy: 1.2728528037220208
Energy: 1.566551993777055
Energy: 1.3317317749114592
Energy: 1.5666852307642642
Energy: 1.331731774911088
Energy: 1.5941345619483531
Energy: 1.2724623933581025
Energy: 1.6414695264641923
Energy: 1.2724623933584533
Energy: 1.2718879303137824
Energy: 1.2719328697137429
Energy: 1.639645144556856
Energy: 1.271932869714279
Energy: 1.288913776517314
Energy: 1.341369736453258
Energy: 1.4976463065332555
Energy: 1.3413697364530723
Energy: 1.2390003942075687
Energy: 1.2401657207446515
Energy: 1.5697270604439668
Energy: 1.2401657207441152
Energy: 1.2408629485944778
Energy: 1.240809271602932
Energy: 1.5601510567851833
Energy: 1.2408092716023955
Energy: 1.4581997370969113
Energy: 1.2409233734225185
Energy: 1.5636563549303175
Energy: 1.2409233734223328
Energy: 1.6355004397539101
Energy: 1.4537252434640848
Energy: 1.5754194380310256
Energy: 1.4537252434640848

minimum gb energy = 1.2365471758394806 eV
minimum distance =  2.28885418172979 Angstroms
sigma value = 7


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

Energy: 2.418136172680892
Energy: 1.4087830097945033
Energy: 1.4089628485525874
Energy: 1.3118156771902891
Energy: 1.5562846198323497
Energy: 1.310367276310395
Energy: 1.4371107247473245
Energy: 1.310367276310395
Energy: 1.4714857037131888
Energy: 1.2912127564031863
Energy: 1.3701613365426475
Energy: 1.2912127564031863
Energy: 1.3710071691195778
Energy: 1.2915091047865261
Energy: 1.3665017627502143
Energy: 1.2915091047865261
Energy: 1.366936222644986
Energy: 1.2946744538953028
Energy: 1.3735492625579233
Energy: 1.2946744538965862
Energy: 1.403845197732555
Energy: 1.311484310877641
Energy: 1.4708522195202194
Energy: 1.311484310877641
Energy: 1.4395497276501126
Energy: 1.4408731905373326
Energy: 1.6556985694083282
Energy: 1.4408731905360492
Energy: 1.6439571266597002
Energy: 1.4391839821567187
Energy: 1.6556634929641723
Energy: 1.4391839821554353
Energy: 1.6083703953262007
Energy: 1.255344139683257
Energy: 1.5548949341798202
Energy: 1.255344139683257
Energy: 1.493355723653473
Energy: 1.260576305356885
Energy: 1.25616654528446
Energy: 1.260576305356885
Energy: 1.6068381878987739
Energy: 1.2557058892531223
Energy: 1.2514472099262282
Energy: 1.2557058892544055
Energy: 1.5504675044234855
Energy: 1.2610266483709403
Energy: 1.2556184815223679
Energy: 1.2610266483709403
Energy: 1.6087447494824347
Energy: 1.2562586125170614
Energy: 1.2570233971417284
Energy: 1.2562586125170614
Energy: 1.608203328993337
Energy: 1.257427358043018
Energy: 1.4517505146085552
Energy: 1.257427358043018
Energy: 1.6462311118469164
Energy: 1.309676810405447
Energy: 1.5558569113661491
Energy: 1.3096768104041638
Energy: 1.6305976825770878
Energy: 1.4586735899745813
Energy: 1.6796004520121215
Energy: 1.458673589973298
Energy: 1.4392012170683868
Energy: 1.3117403668506795
Energy: 1.6789756514089755
Energy: 1.3117403668493963
Energy: 1.3916475514092086
Energy: 1.2951221569521714
Energy: 1.4708418373276448
Energy: 1.2951221569521714
Energy: 1.3695805532403862
Energy: 1.2964407490147922
Energy: 1.373136871186648
Energy: 1.2964407490147922
Energy: 1.3725179874022473
Energy: 1.295809435115772
Energy: 1.3712114224598786
Energy: 1.295809435115772
Energy: 1.471688242994093
Energy: 1.2946245012597737
Energy: 1.4060644462709413
Energy: 1.2946245012597737
Energy: 1.6557273198541929
Energy: 1.4397033369878853
Energy: 1.4406076229872464
Energy: 1.439703336986602
Energy: 1.6556441709308194
Energy: 1.4403382478989404
Energy: 1.646752495867413
Energy: 1.4403382478989404
Energy: 1.5554950353800048
Energy: 1.2553798276687376
Energy: 1.619663120444149
Energy: 1.2553798276687376
Energy: 1.4518472033670604
Energy: 1.2607792658838168
Energy: 1.4935371653381944
Energy: 1.2607792658825336
Energy: 1.252616580402974
Energy: 1.255764441294198
Energy: 1.4906003728023316
Energy: 1.255764441294198
Energy: 1.2562476182688003
Energy: 1.2596056590189204
Energy: 1.5456155412345252
Energy: 1.2596056590176372
Energy: 1.2529867929967047
Energy: 1.2556830757414823
Energy: 1.6081070282381502
Energy: 1.2556830757414823
Energy: 1.256104252393313
Energy: 1.2585656574603554
Energy: 1.6080914882491046
Energy: 1.2585656574603554
Energy: 1.5559054026863228
Energy: 1.2554015698783656
Energy: 1.6198639293662445
Energy: 1.255401569879649
Energy: 1.6788811920312023
Energy: 1.3109218998294427
Energy: 1.6272161438685937
Energy: 1.3109218998307262

minimum gb energy = 1.2514472099262282 eV
minimum distance =  2.29837226940762 Angstroms
sigma value = 29


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

Energy: 1.698687397245595
Energy: 1.312483976728981
Energy: 1.31598424903071
Energy: 1.1404613612424623
Energy: 1.315458173343379
Energy: 1.1991891260922114
Energy: 1.3138124260440147
Energy: 1.1991891260917893
Energy: 1.3230429592209432
Energy: 1.1964921341817742
Energy: 1.3164498835426741
Energy: 1.196492134181327
Energy: 1.3163494800600004
Energy: 1.19454241313508
Energy: 1.1136519044695443
Energy: 1.1945424131355271
Energy: 1.318641582365881
Energy: 1.1941878989219867
Energy: 1.3534510249231746
Energy: 1.1941878989215646
Energy: 1.3109286086237475
Energy: 1.192566789735733
Energy: 1.3541974535717745
Energy: 1.192566789735733
Energy: 1.3738054337168215
Energy: 1.3725857608547374
Energy: 1.304150120034609
Energy: 1.3725857608542904
Energy: 1.3702630991096116
Energy: 1.2003505241057884
Energy: 1.3762703989713836
Energy: 1.2003505241057884
Energy: 1.4861022916847226
Energy: 1.199654365235333
Energy: 1.3549341207093843
Energy: 1.199654365235333

minimum gb energy = 1.1136519044695443 eV
minimum distance =  2.36494247797364 Angstroms
sigma value = 5


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

Energy: 1.6675451619326696
Energy: 1.5803467257608834
Energy: 1.4942256480008385
Energy: 1.5280255448706959
Energy: 1.2122601534826731
Energy: 1.2192523939363935
Energy: 1.4649026325558905
Energy: 1.2192523939351811
Energy: 1.2121230598603387
Energy: 1.21525212781575
Energy: 1.4137838768158009
Energy: 1.21525212781575
Energy: 1.2074689453638756
Energy: 1.2169685295580788
Energy: 1.4465842725507954
Energy: 1.216968529559291
Energy: 1.2089238566991043
Energy: 1.217730751061042
Energy: 1.2871897539546053
Energy: 1.217730751061042
Energy: 1.2338997016782423
Energy: 1.2457218138818549
Energy: 1.2504009157569949
Energy: 1.2457218138806427
Energy: 1.2331078938052318
Energy: 1.2463222553891633
Energy: 1.3961174634273694
Energy: 1.2463222553891633
Energy: 1.2375244698609091
Energy: 1.2435196551511034
Energy: 1.4036010689385818
Energy: 1.2435196551511034
Energy: 1.2377384007950976
Energy: 1.2448004354517694
Energy: 1.3609717827253274
Energy: 1.2448004354517694
Energy: 1.4097807827733895
Energy: 1.438464028188158
Energy: 1.5152064513679868
Energy: 1.4384640281869456
Energy: 1.2376847543530942
Energy: 1.2641554496079612
Energy: 1.4527981109145405
Energy: 1.2641554496079612
Energy: 1.527026223815569
Energy: 1.292423931447354
Energy: 1.380598263255271
Energy: 1.2924239314485664
Energy: 1.4171204357549
Energy: 1.3578366398194737
Energy: 1.5240090912605349
Energy: 1.3578366398194737
Energy: 1.2507826191173759
Energy: 1.246078212342904
Energy: 1.2373907346385373
Energy: 1.246078212342904
Energy: 1.3961285511560706
Energy: 1.245467629086763
Energy: 1.2369793347777962
Energy: 1.2454676290855509
Energy: 1.3940510050433241
Energy: 1.2436545123418061
Energy: 1.2373088744394498
Energy: 1.243654512340594
Energy: 1.3148046715280972
Energy: 1.2476561845564578
Energy: 1.2714471819148059
Energy: 1.2476561845564578
Energy: 1.487370352323704
Energy: 1.2155687085437028
Energy: 1.207435798003061
Energy: 1.2155687085437028
Energy: 1.4910118656508486
Energy: 1.2557815449375045
Energy: 1.2113223874890944
Energy: 1.2557815449387169
Energy: 1.4881795025514313
Energy: 1.2164655819215096
Energy: 1.2119555875405366
Energy: 1.2164655819202972
Energy: 1.5677148598222443
Energy: 1.3296892693161868
Energy: 1.3234988834814772
Energy: 1.329689269317399
Energy: 1.6771940495719786
Energy: 1.4787444039904027
Energy: 1.3237012680644527
Energy: 1.4787444039904027
Energy: 1.2975527760767929
Energy: 1.21825858058313
Energy: 1.2122890843682117
Energy: 1.21825858058313
Energy: 1.528963755027896
Energy: 1.258695186260201
Energy: 1.318758029830186
Energy: 1.2586951862589888
Energy: 1.5257817383188428
Energy: 1.21611074521098
Energy: 1.256104688808196
Energy: 1.2161107452121922
Energy: 1.296381015850329
Energy: 1.2616823678357372
Energy: 1.3026755582518312
Energy: 1.2616823678357372
Energy: 1.293116125504766
Energy: 1.2615839960000261
Energy: 1.2957319732708326
Energy: 1.2615839960000261
Energy: 1.2965076790738443
Energy: 1.258149992101931
Energy: 1.2930299998993184
Energy: 1.258149992101931
Energy: 1.2272585895198
Energy: 1.2607965440297515
Energy: 1.2988550673948547
Energy: 1.2607965440297515
Energy: 1.255376886597346
Energy: 1.2571369326735997
Energy: 1.4869037549099775
Energy: 1.2571369326735997
Energy: 1.3190343897336183
Energy: 1.2578148657983388
Energy: 1.486553321711295
Energy: 1.2578148657983388
Energy: 1.2128732533435371
Energy: 1.2186650139370456
Energy: 1.3287401088839321
Energy: 1.2186650139382578
Energy: 1.245139528960545
Energy: 1.570080870356041
Energy: 1.5611438995798699
Energy: 1.570080870356041

minimum gb energy = 1.207435798003061 eV
minimum distance =  2.2947528884364 Angstroms
sigma value = 1


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

Energy: 2.0316429851922466
Energy: 1.4274141707771766
Energy: 1.4298657651770341
Energy: 1.154656890245978
Energy: 1.216222139329846
Energy: 1.1905073376600996
Energy: 1.184771600028254
Energy: 1.1905073376600996
Energy: 1.1914647972260115
Energy: 1.188750048313252
Energy: 1.2424222241970002
Energy: 1.188750048311576
Energy: 1.1859444864147917
Energy: 1.1921888053777732
Energy: 1.2089262318842964
Energy: 1.1921888053794494
Energy: 1.1852526035767357
Energy: 1.2301402356241093
Energy: 1.242998007431478
Energy: 1.2301402356241093
Energy: 1.1845302205813293
Energy: 1.1949205427576395
Energy: 1.2415395950915182
Energy: 1.1949205427576395
Energy: 1.1846663798372215
Energy: 1.1930737721336868
Energy: 1.2428632246475828
Energy: 1.1930737721336868
Energy: 1.1909697374294157
Energy: 1.188956712166367
Energy: 1.2393236105567815
Energy: 1.188956712166367
Energy: 1.190053335042504
Energy: 1.2383719317522002
Energy: 1.1833490134905407
Energy: 1.2383719317522002
Energy: 1.2300541408109056
Energy: 1.438405911146119
Energy: 1.4359555400938087
Energy: 1.438405911146119
Energy: 1.1899778809530506
Energy: 1.2372720320997557
Energy: 1.1899114417856615
Energy: 1.2372720320997557
Energy: 1.1901069946504366
Energy: 1.1897204857973367
Energy: 1.2087853749884856
Energy: 1.1897204857973367
Energy: 1.1803090787787516
Energy: 1.191947270418968
Energy: 1.2086872907171846
Energy: 1.191947270418968
Energy: 1.1847042628746556
Energy: 1.235873563249187
Energy: 1.2163193727037547
Energy: 1.235873563249187
Energy: 1.2089420018690742
Energy: 1.1911689219027868
Energy: 1.1904870521315962
Energy: 1.1911689219027868
Energy: 1.2090663471182985
Energy: 1.18830920244139
Energy: 1.1890412083602933
Energy: 1.18830920244139
Energy: 1.2387950023798828
Energy: 1.1980744751598607
Energy: 1.2112773185449106
Energy: 1.1980744751598607
Energy: 1.2410903733665606
Energy: 1.188830102063629
Energy: 1.1894082656345455
Energy: 1.188830102063629
Energy: 1.2426974545255143
Energy: 1.1964408634371175
Energy: 1.1886218421749604
Energy: 1.1964408634371175
Energy: 1.2417204725942248
Energy: 1.1922191271447546
Energy: 1.1900987060239827
Energy: 1.1922191271430784
Energy: 1.4220692815442082
Energy: 1.1901744675854202
Energy: 1.230376685094455
Energy: 1.1901744675854202
Energy: 1.4398089678682555
Energy: 1.424582738312259
Energy: 1.2305109198206232
Energy: 1.424582738312259
Energy: 1.2160658126234518
Energy: 1.2354758872604135
Energy: 1.1901098479055836
Energy: 1.2354758872620895
Energy: 1.2082772158500215
Energy: 1.1917851885353519
Energy: 1.1900845857225162
Energy: 1.1917851885336757

minimum gb energy = 1.154656890245978 eV
minimum distance =  2.29529793684994 Angstroms
sigma value = 17


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

Energy: 1.6225895409019966
Energy: 1.634015537697033
Energy: 1.7298766719012475
Energy: 1.528123138113503
Energy: 1.1889055254995917
Energy: 1.2202687809441055
Energy: 1.212423845921258
Energy: 1.2202687809430697
Energy: 1.1885356588381062
Energy: 1.190790811516359
Energy: 1.4275611175189555
Energy: 1.1907908115173949
Energy: 1.1883034453424686
Energy: 1.1928751899097454
Energy: 1.4293979502749083
Energy: 1.1928751899087093
Energy: 1.1897643875450779
Energy: 1.1940448121199732
Energy: 1.3286310360397224
Energy: 1.194044812118937
Energy: 1.2558916486669751
Energy: 1.219445493315985
Energy: 1.267282411103314
Energy: 1.219445493315985
Energy: 1.2565525247439724
Energy: 1.2203782266516159
Energy: 1.255102637922866
Energy: 1.2203782266516159
Energy: 1.2721254836880287
Energy: 1.22073183314376
Energy: 1.2538232002715033
Energy: 1.2207318331447958
Energy: 1.3272493355331487
Energy: 1.1911511859516615
Energy: 1.1872588046124815
Energy: 1.1911511859526973
Energy: 1.390291061303055
Energy: 1.1950831143283434
Energy: 1.1914653151168422
Energy: 1.1950831143273075
Energy: 1.2122882553047176
Energy: 1.1926319834874144
Energy: 1.1887422017525644
Energy: 1.1926319834874144
Energy: 1.4993905437716741
Energy: 1.2165543385941036
Energy: 1.212835760689787
Energy: 1.2165543385930675
Energy: 1.516961921707912
Energy: 1.4434297626436363
Energy: 1.2118014062516949
Energy: 1.4434297626446724
Energy: 1.2154277453537325
Energy: 1.1984569342038214
Energy: 1.1887448956624465
Energy: 1.1984569342038214
Energy: 1.4244962519267468
Energy: 1.1912377733428692
Energy: 1.296802400352692
Energy: 1.1912377733407973
Energy: 1.2236413581616672
Energy: 1.190417512454269
Energy: 1.2628319184671248
Energy: 1.190417512454269
Energy: 1.2152131900162855
Energy: 1.2190701828279407
Energy: 1.3223613307989641
Energy: 1.2190701828289767
Energy: 1.2139549029222787
Energy: 1.2217224117098433
Energy: 1.324782095811659
Energy: 1.2217224117098433
Energy: 1.2199522921379982
Energy: 1.2150500866824625
Energy: 1.3247432407722879
Energy: 1.215050086680438
Energy: 1.2415426372368221
Energy: 1.2601808627474662
Energy: 1.3456065624320652
Energy: 1.2601808627485023
Energy: 1.2013387466080798
Energy: 1.2040335043202937
Energy: 1.3947422848605777
Energy: 1.20403350432133
Energy: 1.2024015499662335
Energy: 1.2052300714717474
Energy: 1.3975970402126885
Energy: 1.2052300714707114
Energy: 1.1982805192614194
Energy: 1.2087601398091798
Energy: 1.1911435828926804
Energy: 1.2087601398122405
Energy: 1.3321369151096858
Energy: 1.431626184168132
Energy: 1.4334347605748277
Energy: 1.43162618416606
Energy: 1.213390754889086
Energy: 1.2042793879189262
Energy: 1.312931289550731
Energy: 1.2042793879168545
Energy: 1.1975935261042783
Energy: 1.2057118150478379
Energy: 1.1993448021483333
Energy: 1.205711815046802
Energy: 1.491912341827462
Energy: 1.465295973920408
Energy: 1.2217770512532882
Energy: 1.465295973920408
Energy: 1.1979304421253079
Energy: 1.2047530911571112
Energy: 1.2048816902148713
Energy: 1.204753091156075
Energy: 1.3949566664307318
Energy: 1.2042809535966537
Energy: 1.1984754787803138
Energy: 1.2042809535976895
Energy: 1.3609032259603733
Energy: 1.2071428305350123
Energy: 1.1963388246900066
Energy: 1.2071428305360483
Energy: 1.395634220795221
Energy: 1.2067209232554852
Energy: 1.1967324456852015
Energy: 1.2067209232554852
Energy: 1.3425068502435433
Energy: 1.2219257355272426
Energy: 1.2150151656288684
Energy: 1.2219257355293145
Energy: 1.3262957985721515
Energy: 1.2180662409530396
Energy: 1.2149798904268743
Energy: 1.2180662409509675
Energy: 1.3398332259823498
Energy: 1.216264325448352
Energy: 1.2155999554178343
Energy: 1.2162643254493881
Energy: 1.1862449334147531
Energy: 1.1915612259972987
Energy: 1.21573305470026
Energy: 1.1915612259972987
Energy: 1.2638623478153683
Energy: 1.2968827076003298
Energy: 1.3254066355617395
Energy: 1.2968827076003298
Energy: 1.188526909918702
Energy: 1.1921020315759459
Energy: 1.2155648391321165
Energy: 1.1921020315759459
Energy: 1.203169669634757
Energy: 1.2168402034388301
Energy: 1.4370919220595073
Energy: 1.2168402034409018

minimum gb energy = 1.1862449334147531 eV
minimum distance =  2.2875497900591 Angstroms
sigma value = 89


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

Energy: 2.1982286044559234
Energy: 1.406780821707651
Energy: 1.4765331285345529
Energy: 1.1409220917363465
Energy: 1.201630885720371
Energy: 1.1478923462359019
Energy: 1.1340932904957997
Energy: 1.1478923462361794
Energy: 1.1390072865325873
Energy: 1.1451027375240193
Energy: 1.2635215727372742
Energy: 1.1451027375245735
Energy: 1.132378484712294
Energy: 1.1459879591606958
Energy: 1.2644507935412113
Energy: 1.145987959160973
Energy: 1.1354400111395435
Energy: 1.1500304751249575
Energy: 1.2284532421144103
Energy: 1.1500304751246806
Energy: 1.2027433751916328
Energy: 1.1479414252028308
Energy: 1.19870405741219
Energy: 1.1479414252025535
Energy: 1.2029121042227164
Energy: 1.145899658825679
Energy: 1.2040030306874394
Energy: 1.145899658825679
Energy: 1.2277414924132346
Energy: 1.1470886593919805
Energy: 1.1979166137508468
Energy: 1.1470886593914262
Energy: 1.2146469101255732
Energy: 1.146538035429236
Energy: 1.133039771997803
Energy: 1.1465380354289587
Energy: 1.214621257750694
Energy: 1.1545528060537305
Energy: 1.1367214133101728
Energy: 1.154552806053176
Energy: 1.2136731670654637
Energy: 1.1453259527827409
Energy: 1.13996403151986
Energy: 1.1453259527824635
Energy: 1.1343290185690906
Energy: 1.1448276482091502
Energy: 1.2086813055636194
Energy: 1.1448276482086266
Energy: 1.4187468755091819
Energy: 1.1339479104277037
Energy: 1.2088998756796188
Energy: 1.1339479104277037
Energy: 1.1387409007609937
Energy: 1.2419273509588753
Energy: 1.1387414034484618
Energy: 1.2419273509588753
Energy: 1.1256299008601938
Energy: 1.1466003579494786
Energy: 1.1383135537137028
Energy: 1.146600357948924

minimum gb energy = 1.1256299008601938 eV
minimum distance =  2.30036444312759 Angstroms
sigma value = 13


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

Energy: 1.38420035846801
Energy: 1.4279781208078488
Energy: 1.4303343235305193
Energy: 1.2474201879700155
Energy: 1.1337971687405126
Energy: 1.137153487073494
Energy: 1.1346381853210084
Energy: 1.1371534870712219
Energy: 1.133861548433213
Energy: 1.1329911604036902
Energy: 1.3232490097773424
Energy: 1.1329911604036902
Energy: 1.1341930169801262
Energy: 1.1325318802543065
Energy: 1.3224037648496627
Energy: 1.1325318802543065
Energy: 1.1369767208037294
Energy: 1.1361061177658207
Energy: 1.2064617273101688
Energy: 1.1361061177658207
Energy: 1.245841908370661
Energy: 1.1208170391954324
Energy: 1.1577134021948807
Energy: 1.1208170391954324
Energy: 1.2459707085673433
Energy: 1.1197590875314714
Energy: 1.1711167543409335
Energy: 1.1197590875314714
Energy: 1.280895225208747
Energy: 1.1989439386639635
Energy: 1.1565459534160931
Energy: 1.1989439386650997
Energy: 1.241439039962493
Energy: 1.1226637283047276
Energy: 1.157442505190768
Energy: 1.1226637283047276
Energy: 1.2551300285631688
Energy: 1.1220904551689104
Energy: 1.1543785379682574
Energy: 1.1220904551677744
Energy: 1.2556770341402885
Energy: 1.1472155705562606
Energy: 1.1669449057599484
Energy: 1.1472155705573452
Energy: 1.14597228480707
Energy: 1.128607123566782
Energy: 1.1275559322434208
Energy: 1.128607123565646
Energy: 1.1453913275226026
Energy: 1.1289042668483218
Energy: 1.1272456591974616
Energy: 1.1289042668471856
Energy: 1.1473020702620431
Energy: 1.245253717952798
Energy: 1.1268206216630725
Energy: 1.2452537179538823
Energy: 1.2316271282584277
Energy: 1.1013358346390094
Energy: 1.4965969642410282
Energy: 1.1013358346378734
Energy: 1.2319011900667094
Energy: 1.100914266870716
Energy: 1.1093463605308094
Energy: 1.100914266872988
Energy: 1.1259132649901908
Energy: 1.1597387939182384
Energy: 1.1045136149910155
Energy: 1.1597387939182384
Energy: 1.129725043355666
Energy: 1.115988747951621
Energy: 1.2890419281342222
Energy: 1.115988747952757
Energy: 1.132570310049706
Energy: 1.1158567838376057
Energy: 1.1043334102592242
Energy: 1.1158567838353335
Energy: 1.2414938388879238
Energy: 1.1026080201074149
Energy: 1.1044793279284704
Energy: 1.102608020108551
Energy: 1.5087049771046013
Energy: 1.2424097156377767
Energy: 1.230625893991663
Energy: 1.2424097156377767
Energy: 1.2174784052341154
Energy: 1.1031126300777219
Energy: 1.1293165516217722
Energy: 1.1031126300765859
Energy: 1.171076328622996
Energy: 1.1183384853033396
Energy: 1.1664559119200772
Energy: 1.118338485305612
Energy: 1.166532583311702
Energy: 1.1171025789442874
Energy: 1.199701970561335
Energy: 1.1171025789420153
Energy: 1.1661454247333058
Energy: 1.1232969619636641
Energy: 1.1991537131076035
Energy: 1.123296961961392
Energy: 1.16338446752858
Energy: 1.1259255315775074
Energy: 1.241312867957438
Energy: 1.1259255315786434
Energy: 1.1644632791600311
Energy: 1.122594292470954
Energy: 1.246449655186167
Energy: 1.122594292469818
Energy: 1.1673342035321388
Energy: 1.123544939315841
Energy: 1.2491279653881158
Energy: 1.123544939315841
Energy: 1.2071037142411796
Energy: 1.1352231735551912
Energy: 1.1366172053624857
Energy: 1.1352231735540552
Energy: 1.2644163290484876
Energy: 1.136040236741217
Energy: 1.1376313153780397
Energy: 1.1360402367423532
Energy: 1.2280027131224884
Energy: 1.1398159497498606
Energy: 1.1365853383115534
Energy: 1.1398159497498606
Energy: 1.1340596098509548
Energy: 1.1323090143059324
Energy: 1.2313358957676934
Energy: 1.1323090143047962
Energy: 1.4027413103399127
Energy: 1.1327740960260437
Energy: 1.2318146983010843
Energy: 1.1327740960260437
Energy: 1.1337985499732237
Energy: 1.2141983170914143
Energy: 1.1355303646256258
Energy: 1.2141983170925505
Energy: 1.1203904038089967
Energy: 1.262118124049377
Energy: 1.2700649918225428
Energy: 1.262118124049377

minimum gb energy = 1.100914266870716 eV
minimum distance =  2.2954964667795 Angstroms
sigma value = 37


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

Energy: 1.3182830740226372
Energy: 1.3124144919182126
Energy: 1.3381869155466088
Energy: 1.0764438574549557
Energy: 1.071812596363857
Energy: 1.066474203388698
Energy: 1.0699178957594015
Energy: 1.0664742033885204
Energy: 1.0712898221192029
Energy: 1.0696529675667217
Energy: 1.217944398368915
Energy: 1.0696529675671216
Energy: 1.0697330266462826
Energy: 1.0673561420465676
Energy: 1.2507433227054672
Energy: 1.0673561420467454
Energy: 1.1224682844886984
Energy: 1.0804560753327945
Energy: 1.1276120869223523
Energy: 1.0804560753325942
Energy: 1.132188106648699
Energy: 1.0363091151854051
Energy: 1.0695914019695725
Energy: 1.0363091151854051
Energy: 1.132157398891777
Energy: 1.0349331963243353
Energy: 1.0695985767532268
Energy: 1.034933196324735
Energy: 1.1716938591442598
Energy: 1.024796571213496
Energy: 1.0697068921684878
Energy: 1.024796571213496
Energy: 1.10440284156614
Energy: 1.0219826736816715
Energy: 1.1043049058536747
Energy: 1.0219826736816715
Energy: 1.1040481949673857
Energy: 1.0213992066408193
Energy: 1.1045704256944249
Energy: 1.0213992066410194
Energy: 1.1129049734620544
Energy: 1.105698833691913
Energy: 1.1720743873123747
Energy: 1.1056988336924907
Energy: 1.0699752225669958
Energy: 1.0357666779035029
Energy: 1.1654961661261274
Energy: 1.0357666779029255
Energy: 1.0684087814626644
Energy: 1.0358984636429507
Energy: 1.1661236195982851
Energy: 1.0358984636429507
Energy: 1.1276868047529287
Energy: 1.0371292804200274
Energy: 1.1231664787976126
Energy: 1.037129280420605
Energy: 1.1887348780168818
Energy: 1.0665849059351395
Energy: 1.0715948447442758
Energy: 1.0665849059349397
Energy: 1.0689125115690332
Energy: 1.0674817582340914
Energy: 1.0713088700204259
Energy: 1.067481758234469
Energy: 1.1272035168807746
Energy: 1.081264276551633
Energy: 1.0720713502620474
Energy: 1.0812642765514329
Energy: 1.3123862798251769
Energy: 1.3123503567252572
Energy: 1.1636371584320977
Energy: 1.3123503567250574
Energy: 1.0711618858014182
Energy: 1.0692023889962852
Energy: 1.1634173121653226
Energy: 1.0692023889962852
Energy: 1.0585396333999502
Energy: 1.0662574992593132
Energy: 1.0714087976274114
Energy: 1.0662574992593132

minimum gb energy = 1.0213992066408193 eV
minimum distance =  2.30754108819674 Angstroms
sigma value = 25


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

Energy: 1.2701676830500936
Energy: 1.2065595361513763
Energy: 1.208420474496028
Energy: 1.0003391416071605
Energy: 0.9988759489433342
Energy: 0.9968963559955869
Energy: 0.9984136453539918
Energy: 0.9968963559955869
Energy: 0.9987683255683865
Energy: 0.995882729918697
Energy: 1.0050613581292023
Energy: 0.9958827299171706
Energy: 0.9983293230317092
Energy: 0.9908205813253821
Energy: 1.098832836073004
Energy: 0.9908205813253821
Energy: 1.001990708148979
Energy: 0.9622931151781519
Energy: 1.0013218345657575
Energy: 0.9622931151781519
Energy: 1.1011271341260631
Energy: 0.9609025876561225
Energy: 1.0008398717926803
Energy: 0.9609025876561225
Energy: 1.1009763278634355
Energy: 0.9591997043429451
Energy: 1.0040170556512213
Energy: 0.9591997043429451
Energy: 1.0419778784143918
Energy: 0.9563181684810921
Energy: 1.0585829810118388
Energy: 0.9563181684810921
Energy: 1.010842566822426
Energy: 0.9322293255385833
Energy: 1.0756053751945251
Energy: 0.9322293255385833
Energy: 1.0122657337068681
Energy: 0.9325634858163805
Energy: 1.0644348693252759
Energy: 0.9325634858163805
Energy: 1.002697324673458
Energy: 0.9814276544199737
Energy: 1.0688708840121628
Energy: 0.9814276544184474
Energy: 1.0323208991859627
Energy: 0.9230102546915468
Energy: 1.0323674224052888
Energy: 0.9230102546915468
Energy: 1.0440064257671022
Energy: 0.9235772875496848
Energy: 1.0322289703592533
Energy: 0.9235772875496848
Energy: 1.070732152824706
Energy: 0.9350794194208504
Energy: 1.013632672755645
Energy: 0.935079419419324
Energy: 1.0758432737309038
Energy: 0.9328392641892879
Energy: 1.0121642039231007
Energy: 0.9328392641892879
Energy: 1.0756070762766192
Energy: 0.9333375250901738
Energy: 1.0112711370435803
Energy: 0.9333375250901738
Energy: 1.001048992133477
Energy: 0.9613575350734298
Energy: 1.0424566610871735
Energy: 0.9613575350734298
Energy: 1.0036693074669345
Energy: 0.9595891925389388
Energy: 1.0556324933491266
Energy: 0.9595891925389388
Energy: 1.0007445863222
Energy: 0.9631997760331303
Energy: 1.0618942777557208
Energy: 0.9631997760331303
Energy: 1.0012994958671761
Energy: 0.9966677399978543
Energy: 0.9984220205468113
Energy: 0.996667739996328
Energy: 1.2206928934256507
Energy: 0.9926668304591475
Energy: 0.9992303670779641
Energy: 0.9926668304606737
Energy: 1.0010869505707627
Energy: 0.9948439872554146
Energy: 0.9985251958795375
Energy: 0.9948439872554146
Energy: 1.0008550333235346
Energy: 0.9948450374311991
Energy: 0.9969536885605914
Energy: 0.9948450374311991
Energy: 1.1996683887760133
Energy: 0.9943969162030617
Energy: 0.9943180966753314
Energy: 0.9943969162030617
Energy: 0.9986606596754879
Energy: 0.9969756208879704
Energy: 0.9987955900604387
Energy: 0.9969756208879704
Energy: 1.0022033433989017
Energy: 0.9921269766330533
Energy: 0.998449721639149
Energy: 0.9921269766345795

minimum gb energy = 0.9230102546915468 eV
minimum distance =  2.31700169671254 Angstroms
sigma value = 41


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

Energy: 1.208181029617723
Energy: 1.1022656574365757
Energy: 1.1045752076785742
Energy: 0.9326983327508368
Energy: 0.931519776462678
Energy: 0.8998903640424025
Energy: 0.9351858222248705
Energy: 0.8998903640424025
Energy: 0.9318159350190045
Energy: 0.9261336664510073
Energy: 0.9393444467409806
Energy: 0.9261336664510073
Energy: 0.933084092865018
Energy: 0.9237236732303377
Energy: 1.0518651683425784
Energy: 0.9237236732290863
Energy: 0.9357279157976334
Energy: 0.9117605517158208
Energy: 0.9359047411873284
Energy: 0.911760551717072
Energy: 1.0540021477488544
Energy: 0.8977247473524652
Energy: 0.9354465753291725
Energy: 0.897724747351214
Energy: 1.0538920889516068
Energy: 0.8958437487325704
Energy: 0.9368093691017215
Energy: 0.8958437487325704
Energy: 0.9707282166959249
Energy: 0.96199873049659
Energy: 1.0108782827835898
Energy: 0.9619987304978412
Energy: 0.946307050020516
Energy: 0.8680402812994007
Energy: 0.9581902844979476
Energy: 0.8680402812994007
Energy: 0.9479280764149566
Energy: 0.8684276816263811
Energy: 0.9584836872506337
Energy: 0.8684276816263811
Energy: 0.9500024521047726
Energy: 0.8520447301443531
Energy: 0.9976109046698597
Energy: 0.8520447301443531
Energy: 0.9476863620977958
Energy: 0.8514271429734392
Energy: 0.9580670284263746
Energy: 0.8514271429746907
Energy: 0.9628683424101759
Energy: 0.8514197993416637
Energy: 0.9594872689714745
Energy: 0.851419799342915
Energy: 0.9886742640867078
Energy: 0.8452900507512177
Energy: 0.931493569864698
Energy: 0.8452900507512177
Energy: 0.9297988863391518
Energy: 0.8443350530129354
Energy: 0.9289428402952484
Energy: 0.8443350530141867
Energy: 0.930057581017071
Energy: 0.8456063921586662
Energy: 0.9779644660214586
Energy: 0.8456063921574147
Energy: 0.9459005272323492
Energy: 0.8509699086357043
Energy: 0.9886103857409201
Energy: 0.850969908634453
Energy: 0.9387823966924784
Energy: 0.8509905197582885
Energy: 0.9467357651634715
Energy: 0.8509905197607912
Energy: 0.9719414495901487
Energy: 0.8505219392391195
Energy: 0.946584087834296
Energy: 0.8505219392391195
Energy: 0.9935248344168196
Energy: 0.8684934067405321
Energy: 0.9467739164969131
Energy: 0.8684934067392809
Energy: 1.0085967132794058
Energy: 0.8694818538876536
Energy: 0.9476987609819252
Energy: 0.8694818538876536
Energy: 1.0082142387362771
Energy: 0.869172022162895
Energy: 0.9708441677640594
Energy: 0.869172022162895
Energy: 0.9368361305692363
Energy: 0.8966592321228807
Energy: 0.9458129306474486
Energy: 0.896659232124132
Energy: 0.9358997889722175
Energy: 0.8962125439760511
Energy: 1.006871360905076
Energy: 0.8962125439760511
Energy: 0.9352856745432232
Energy: 0.8990810296174354
Energy: 1.0075513083699608
Energy: 0.8990810296186866
Energy: 0.9695886478631652
Energy: 0.9256029577598529
Energy: 0.9336306189575774
Energy: 0.9256029577611045
Energy: 0.9343001519010857
Energy: 0.9239653563069934
Energy: 0.9319315936318742
Energy: 0.9239653563057421
Energy: 0.9359024038065273
Energy: 0.9578257453950647
Energy: 0.9318600710152567
Energy: 0.957825745396316
Energy: 0.9350090588359037
Energy: 0.9240909970254979
Energy: 0.9325341095197438
Energy: 0.9240909970254979
Energy: 0.9317471495784391
Energy: 0.9249627862888121
Energy: 0.9356285399864805
Energy: 0.9249627862875608
Energy: 0.9315824254268787
Energy: 0.9309166605145819
Energy: 0.9318182559647118
Energy: 0.9309166605145819
Energy: 0.9417473592393856
Energy: 0.9242275549973692
Energy: 0.9355547948552091
Energy: 0.9242275549973692

minimum gb energy = 0.8443350530129354 eV
minimum distance =  2.32283855386583 Angstroms
sigma value = 15


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

Energy: 1.0754086139847028
Energy: 1.0189888954575348
Energy: 1.0197743837611561
Energy: 0.8748665857029709
Energy: 0.8739653799862206
Energy: 0.8441747540698841
Energy: 0.8771295862637453
Energy: 0.8441747540698841
Energy: 0.8739007571752322
Energy: 0.8685489412027193
Energy: 0.8827066732855736
Energy: 0.8685489412016592
Energy: 0.8752952657557177
Energy: 0.8675277784733338
Energy: 0.9942919370406431
Energy: 0.8675277784712137
Energy: 0.8778127568202386
Energy: 0.8486283552934619
Energy: 0.8772582188600535
Energy: 0.8486283552934619
Energy: 0.8907459056708118
Energy: 0.8433563328134108
Energy: 0.8844583674182545
Energy: 0.843356332814471
Energy: 0.9024796937489165
Energy: 0.8434145178991238
Energy: 0.878146019491155
Energy: 0.8434145178980637
Energy: 0.8876589529233352
Energy: 0.9085436827928052
Energy: 0.8898430312339856
Energy: 0.9085436827917451
Energy: 0.8885669148551878
Energy: 0.816778098969742
Energy: 0.9040413774614712
Energy: 0.8167780989686818
Energy: 0.8872683988758758
Energy: 0.8161330471714597
Energy: 0.9158316142132025
Energy: 0.8161330471703997
Energy: 0.8982845189407166
Energy: 0.7973505480535842
Energy: 0.9088672391794385
Energy: 0.7973505480535842
Energy: 0.887141412186272
Energy: 0.7973958694596796
Energy: 0.8962035234832393
Energy: 0.7973958694586194
Energy: 0.924161699626593
Energy: 0.7979276074160833
Energy: 0.8962287786910145
Energy: 0.7979276074182032
Energy: 0.9259033417476754
Energy: 0.7856490744689459
Energy: 0.8888010884532872
Energy: 0.7856490744678858
Energy: 0.9131153978402252
Energy: 0.7869700331620907
Energy: 0.8842421832249515
Energy: 0.7869700331610306
Energy: 0.8901842693354199
Energy: 0.786766497676838
Energy: 0.92406914778088
Energy: 0.7867664976778981
Energy: 0.8802404483892539
Energy: 0.7833416742948947
Energy: 0.9267638639921283
Energy: 0.7833416742927747
Energy: 0.8747319639716586
Energy: 0.7821715270258364
Energy: 0.8750568757121936
Energy: 0.7821715270247763
Energy: 0.9269260122205847
Energy: 0.7830320147089675
Energy: 0.8818901787709412
Energy: 0.7830320147100276
Energy: 0.9242873845721749
Energy: 0.7871797686941664
Energy: 0.8968837250426949
Energy: 0.7871797686952265
Energy: 0.8827330940338365
Energy: 0.7871363630150346
Energy: 0.9144596642470059
Energy: 0.7871363630171546
Energy: 0.8909416417507532
Energy: 0.7857715902016178
Energy: 0.9252379462336504
Energy: 0.7857715901994978
Energy: 0.8952706748989947
Energy: 0.7983065927110584
Energy: 0.9243360176515119
Energy: 0.7983065927121183
Energy: 0.8970083502325308
Energy: 0.7971556786905815
Energy: 0.8971025138555
Energy: 0.7971556786905815
Energy: 0.908898481829656
Energy: 0.7974379098111454
Energy: 0.8879690178860886
Energy: 0.7974379098100852
Energy: 0.9086962443676521
Energy: 0.8156987178213411
Energy: 0.8870899173134182
Energy: 0.8156987178224012
Energy: 0.8950952475447328
Energy: 0.8165859344941969
Energy: 0.8878212413478579
Energy: 0.8165859344931368
Energy: 0.8866748211991605
Energy: 0.8172728529143233
Energy: 0.8890324249909433
Energy: 0.8172728529132633
Energy: 0.8778842140182772
Energy: 0.842460935308596
Energy: 0.8760044455224474
Energy: 0.842460935308596
Energy: 0.8837743493354272
Energy: 0.8432726956999193
Energy: 0.888395860469491
Energy: 0.8432726957009792
Energy: 0.8773921733921602
Energy: 0.883383093587189
Energy: 0.888199315956056
Energy: 0.883383093587189
Energy: 0.8861135816179604
Energy: 0.86758371322141
Energy: 0.8747908935164004
Energy: 0.8675837132224701
Energy: 0.8768015722649977
Energy: 0.8679763217360175
Energy: 0.8740709692391008
Energy: 0.8679763217381377
Energy: 0.8773255645988542
Energy: 0.8443354033016219
Energy: 0.8739332342336869
Energy: 0.8443354033016219
Energy: 1.0186772092661243
Energy: 1.0156408246881483
Energy: 0.8752889515940436
Energy: 1.0156408246881483
Energy: 0.8736689086236321
Energy: 0.8696819848473024
Energy: 0.8758201129309717
Energy: 0.8696819848462425
Energy: 0.8808570580043735
Energy: 0.8689261459030854
Energy: 0.8740734976791147
Energy: 0.8689261459030854

minimum gb energy = 0.7821715270247763 eV
minimum distance =  2.32548102554799 Angstroms
sigma value = 85


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

Energy: 0.8794905134004937
Energy: 0.8858779494671324
Energy: 0.891586568443629
Energy: 0.7511654583878707
Energy: 0.7687678049885385
Energy: 0.7445250323957546
Energy: 0.778878068553304
Energy: 0.7445250323957546
Energy: 0.7685982336054368
Energy: 0.7630937862697581
Energy: 0.7704512711605516
Energy: 0.7630937862697581
Energy: 0.7695001063580912
Energy: 0.76059897054859
Energy: 0.7937520223786928
Energy: 0.7605989705495093
Energy: 0.8100556180785817
Energy: 0.7870528656283884
Energy: 0.7788778083612747
Energy: 0.7870528656283884
Energy: 0.8156092134000885
Energy: 0.7457368103781469
Energy: 0.7788038230338026
Energy: 0.7457368103790661
Energy: 0.7663502687643023
Energy: 0.744331418291483
Energy: 0.7793673645960891
Energy: 0.744331418291483
Energy: 0.8098013424144891
Energy: 0.809429085791514
Energy: 0.8085414910678765
Energy: 0.8094290857924333
Energy: 0.7974569390499462
Energy: 0.7283396475948847
Energy: 0.7796863143354142
Energy: 0.7283396475948847
Energy: 0.7950064590451169
Energy: 0.7284235808322826
Energy: 0.8072216006053672
Energy: 0.7284235808332021
Energy: 0.8022407145741286
Energy: 0.7193692865982934
Energy: 0.8320294411253631
Energy: 0.7193692865992126
Energy: 0.8061644290426556
Energy: 0.7180088528727566
Energy: 0.8112630502292548
Energy: 0.7180088528727566
Energy: 0.8370182504493434
Energy: 0.7186423239591785
Energy: 0.811825505963347
Energy: 0.7186423239582591
Energy: 0.8386803656729263
Energy: 0.715927226590536
Energy: 0.8118286501824813
Energy: 0.715927226590536
Energy: 0.8284438179355049
Energy: 0.7136696878618313
Energy: 0.8080746132228919
Energy: 0.7136696878609118
Energy: 0.8143805730462333
Energy: 0.7147043088469915
Energy: 0.8444281573349698
Energy: 0.7147043088460722
Energy: 0.8122266336954956
Energy: 0.7135205226777698
Energy: 0.8448961403060975
Energy: 0.7135205226777698
Energy: 0.8125865077848031
Energy: 0.7129937541718586
Energy: 0.8436441380821923
Energy: 0.7129937541718586
Energy: 0.850094930292091
Energy: 0.7134975061755263
Energy: 0.8125496431820173
Energy: 0.7134975061764458
Energy: 0.8502586481774773
Energy: 0.7125407575064528
Energy: 0.8121663840035438
Energy: 0.7125407575064528
Energy: 0.812612444772651
Energy: 0.7126259205661913
Energy: 0.8121823510269779
Energy: 0.7126259205652721
Energy: 0.8122220779359911
Energy: 0.7135672159158629
Energy: 0.8511150919612067
Energy: 0.7135672159149435
Energy: 0.830014530375914
Energy: 0.7125846546008215
Energy: 0.8501040182835101
Energy: 0.7125846546017408
Energy: 0.8436219019933685
Energy: 0.7120948576966739
Energy: 0.8122006403248907
Energy: 0.7120948576966739
Energy: 0.8457552163482247
Energy: 0.7144406099320989
Energy: 0.8120459440515507
Energy: 0.7144406099330182
Energy: 0.8445246230238901
Energy: 0.7140495231974018
Energy: 0.828773161309125
Energy: 0.7140495231974018
Energy: 0.8117167837533039
Energy: 0.7138228611479954
Energy: 0.8287742426122846
Energy: 0.7138228611489149
Energy: 0.8116140810316892
Energy: 0.7146173777426553
Energy: 0.8370937003420019
Energy: 0.7146173777426553
Energy: 0.8118311948791573
Energy: 0.718382670024858
Energy: 0.7951832583746637
Energy: 0.718382670024858
Energy: 0.81294905304833
Energy: 0.7188792692569587
Energy: 0.796120798879692
Energy: 0.7188792692569587
Energy: 0.8319990269613747
Energy: 0.7627030796826993
Energy: 0.8020155846069755
Energy: 0.7627030796826993
Energy: 0.790655905723384
Energy: 0.72757657366954
Energy: 0.7951278796633786
Energy: 0.72757657366954
Energy: 0.7791254143063633
Energy: 0.7286307043343345
Energy: 0.7949761324557427
Energy: 0.7286307043343345
Energy: 0.7791212322689938
Energy: 0.7565814821489631
Energy: 0.8097930699826746
Energy: 0.7565814821480438
Energy: 0.7797057714759594
Energy: 0.7441758692124829
Energy: 0.7977241389958799
Energy: 0.7441758692124829
Energy: 0.7788193400390574
Energy: 0.7456190191893319
Energy: 0.8095614091296879
Energy: 0.7456190191893319
Energy: 0.7834790370801616
Energy: 0.7464824483028577
Energy: 0.8095408029865648
Energy: 0.7464824483028577
Energy: 0.7510210363489832
Energy: 0.7705866194787837
Energy: 0.770847281450129
Energy: 0.770586619479703
Energy: 0.7790641317641653
Energy: 0.7614950004176776
Energy: 0.7686688218946522
Energy: 0.7614950004167583
Energy: 0.7788882276151108
Energy: 0.7469189115275269
Energy: 0.7768859447763411
Energy: 0.7469189115275269
Energy: 0.7685224439430516
Energy: 0.7609682430662824
Energy: 0.7683448444316633
Energy: 0.7609682430653629
Energy: 0.768531727968293
Energy: 0.7466378057370642
Energy: 0.7686881359650308
Energy: 0.7466378057379834
Energy: 0.7668388437896183
Energy: 0.7625124740742039
Energy: 0.7686244296623086
Energy: 0.7625124740732846

minimum gb energy = 0.7120948576966739 eV
minimum distance =  2.31728704174782 Angstroms
sigma value = 113


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

Energy: 0.014918056058039206
Energy: 0.10911954723061318
Energy: 0.9473173543251661
Energy: 0.015129781385161111
Energy: 0.09665811028927744
Energy: 0.10903803633824859
Energy: 0.09481044571082203
Energy: 0.10903803633824859
Energy: 0.09444465642376593
Energy: 0.10933135346381598
Energy: 0.015548592090981393
Energy: 0.10933135346381598
Energy: 0.09419474460249724
Energy: 0.10998835153061166
Energy: 0.016934587304688276
Energy: 0.10998835153061166
Energy: 0.09603596577610159
Energy: 0.1089838463254938
Energy: 0.09520313742631044
Energy: 0.1089838463254938
Energy: 0.015572305932754972
Energy: 0.10938778038332858
Energy: 0.09438011738966724
Energy: 0.10938778038266106

minimum gb energy = 0.014918056058039206 eV
minimum distance =  2.45281303334276 Angstroms
sigma value = 1