Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.623951092362404
cohesive_energy=4.187902403425222
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: 0.016105165254975583
Energy: 0.01685745066547872
Energy: 0.6691691731854178
Energy: 0.01685745066606817
Energy: 0.016857450664854598
Energy: 1.0583823646207524
Energy: 0.01685745066547872
Energy: 1.0583823646207524
Energy: 0.6691691731854178
Energy: 0.01685745066547872
Energy: 0.016105165254975583
Energy: 0.01685745066547872
Energy: 0.01685745066547872
Energy: 1.0583823646207524
Energy: 0.01685745066547872
Energy: 1.0583823646207524

minimum gb energy = 0.016105165254975583 eV
minimum distance =  2.51459765144695 Angstroms
sigma value = 1


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

Energy: -0.10165316392201605
Energy: 0.3802867160687498
Energy: -0.3470749023162195
Energy: 0.38028671411072257
Energy: -0.0782208539448314
Energy: 0.14684161475168958
Energy: -0.21151295200210316
Energy: 0.14684160122385764
Energy: 0.18539517144369658
Energy: 0.5700074905102676
Energy: 0.06230654743980471
Energy: 0.5700074793513357
Energy: 0.13432680748966064
Energy: 0.0056402207980234004
Energy: -0.021231015017859022
Energy: 0.005640459811259223
Energy: 0.15854611712317002
Energy: 0.37693495943362754
Energy: 0.11791965608473116
Energy: 0.37693496028633794
Energy: -0.08163283281693623
Energy: 0.28195076376514266
Energy: 0.10820340167698939
Energy: 0.2819507646617547
Energy: -0.029700359025811834
Energy: 0.5237989003694279
Energy: -0.14132377569466736
Energy: 0.5237989321763786
Energy: -0.1244211974592943
Energy: 0.3814001272198094
Energy: 0.22988911859053615
Energy: 0.3814001277675479
Energy: -0.03396661264645148
Energy: 0.4270962741869702
Energy: 0.0290070910674508
Energy: 0.42709628298918195
Energy: 0.11495594974143744
Energy: 0.5657538090270089
Energy: -0.14834328966950897
Energy: 0.5657538423895094
Energy: -0.07235179344711917
Energy: 0.19862898213014538
Energy: -0.002502589378571787
Energy: 0.19862923175608865
Energy: -0.14857706913348892
Energy: 0.3838069615463774
Energy: 0.013851083511970369
Energy: 0.38380696161140415
Energy: 0.033723592532010065
Energy: 0.5264248276296097
Energy: -0.021864249182315797
Energy: 0.5264248272558265
Energy: 0.030841668845878162
Energy: 0.44278498035285674
Energy: 0.07873994324202963
Energy: 0.442784981209283
Energy: 0.07876155357177739
Energy: 0.34771803430103865
Energy: -0.044070791184863595
Energy: 0.3477180342677339
Energy: 0.12459513774730456
Energy: 0.3550095261955444
Energy: -0.03660084375000123
Energy: 0.3550095298876868
Energy: 0.0495681946911452
Energy: 0.5551383801780323
Energy: 0.011324087658181346
Energy: 0.5551379140791844
Energy: -0.15159478819379194
Energy: 0.21918490648403638
Energy: -0.09692986085487308
Energy: 0.1905930803714331
Energy: 0.0890323524201577
Energy: 0.37164133389328985
Energy: -0.06454400826904214
Energy: 0.371641336271961
Energy: -0.18067045429550938
Energy: -0.21521946530061895
Energy: -0.022168187894876217
Energy: -0.21521946517201052
Energy: 0.11022300564031683
Energy: 0.5703893023424728
Energy: -0.02134278648314088
Energy: 0.5703893025270936
Energy: -0.1271169140491193
Energy: -0.1910233581164956
Energy: 0.11556519178957421
Energy: -0.1870277939739063
Energy: 0.06869417885726124
Energy: 0.381387253860832
Energy: -0.010593558370652116
Energy: 0.3813872539675584
Energy: 0.07473674415259915
Energy: 0.5633013524120667
Energy: -0.10045553740688382
Energy: 0.5633013919415788
Energy: -0.09455990791313343
Energy: 0.2455083872814273
Energy: -0.11922427098053925
Energy: 0.24550814747603505
Energy: 0.14914863400076658
Energy: 0.3499432883909261
Energy: -0.2355787422111771
Energy: 0.3499432073284588
Energy: 0.0618442059775275
Energy: 0.09591609304541826
Energy: -0.008068777451710784
Energy: 0.09574529898549493
Energy: 0.09187332011711749
Energy: 0.43406076183143083
Energy: -0.02732888013495283
Energy: 0.4340606195147412
Energy: -0.12178468353346568
Energy: 0.32165668468169184
Energy: -0.07342321704392052
Energy: 0.32165668440933637
Energy: 0.01854853818542208
Energy: 0.36947315214575344
Energy: -0.33645360494382864
Energy: 0.3694731340587559
Energy: -0.008085451045555442
Energy: 0.38044560629542185
Energy: 0.0018000712993792426
Energy: 0.38047089436150083
Energy: 0.07200844174045647
Energy: 0.5545989704608594
Energy: 0.05531452681206869
Energy: 0.5545999222838306
Energy: 0.15756257749399108
Energy: 0.19926762860853103
Energy: -0.052703820092753415
Energy: 0.1992676320464843

minimum gb energy = -0.3470749023162195 eV
minimum distance =  2.31628132645079 Angstroms
sigma value = 1


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

Energy: 0.13095603320122162
Energy: 0.40934853681576516
Energy: 0.013323266560844963
Energy: 0.40934835402580805
Energy: 0.1569164909800147
Energy: 0.2596090424451264
Energy: 0.023053715050156704
Energy: 0.25960907200447675
Energy: 0.08395844466951852
Energy: 0.4658336782696768
Energy: 0.14214059818183447
Energy: 0.4658336740953709
Energy: 0.26210848305523143
Energy: 0.16415913480678898
Energy: 0.14482468968095355
Energy: 0.16415868396484254
Energy: 0.29627535873084565
Energy: 0.5931441465300524
Energy: 0.1966389813714123
Energy: 0.593150403469645
Energy: -0.13776938273632708
Energy: 0.625773426263833
Energy: 0.2427343571732656
Energy: 0.625773426780551
Energy: 0.10649528442322558
Energy: 0.12100628900249873
Energy: 0.10645300327610484
Energy: 0.12209634685850382
Energy: 0.1556649217182129
Energy: 0.4798348224369135
Energy: 0.26985598068083677
Energy: 0.47983482120678583
Energy: 0.28748289215106304
Energy: 0.030613698202023323
Energy: 0.2390653657332089
Energy: 0.044952628290848735
Energy: 0.31770109591791673
Energy: 0.4673897509481022
Energy: 0.0309969325747941
Energy: 0.46738974997244986
Energy: 0.17554351721905373
Energy: 0.41121682061503056
Energy: -0.05802697376873759
Energy: 0.41121692443081503
Energy: 0.20057533854107457
Energy: 0.5728593430653814
Energy: 0.2211799445837768
Energy: 0.5728593430567511
Energy: 0.13213550980652242
Energy: 0.6533291134328323
Energy: 0.23462657081912566
Energy: 0.6533290705508125
Energy: 0.15807371821789526
Energy: 0.6325875298992473
Energy: 0.1299834800588049
Energy: 0.632573127679986
Energy: 0.19139912481628815
Energy: 0.5439993709854355
Energy: 0.30050694997721955
Energy: 0.5439997164864714
Energy: 0.17542938798142912
Energy: 0.3908470051184543
Energy: 0.10203328029544119
Energy: 0.39083661322808694
Energy: 0.2893734364569199
Energy: 0.42287440885079886
Energy: 0.2269393233000448
Energy: 0.422874409056984
Energy: 0.21882747987973072
Energy: 0.014740462697947135
Energy: 0.22685880173196854
Energy: -0.16501212640237595
Energy: 0.14710969431063475
Energy: 0.4564702682355247
Energy: 0.28681996789231345
Energy: 0.4564702390212284
Energy: 0.15000947073744728
Energy: 0.1633425125155163
Energy: -0.024764307428445438
Energy: 0.1633425158573932
Energy: -0.08151783054618862
Energy: 0.6122811629444153
Energy: 0.2217188871385004
Energy: 0.6122811325241558
Energy: 0.29919525685911047
Energy: 0.6659004666553622
Energy: 0.25652534377238373
Energy: 0.6659004529177728
Energy: 0.23083594405306537
Energy: 0.14727892334620674
Energy: 0.12614355441733968
Energy: 0.14727468886359704
Energy: 0.10354524107557606
Energy: 0.4448250093834856
Energy: 0.2585585106576981
Energy: 0.44482503573814125
Energy: 0.15750420672172663
Energy: 0.27231314213466806
Energy: -0.09559390324429733
Energy: 0.27233646732958194
Energy: 0.1309566468491406
Energy: 0.40934860185396976
Energy: 0.10497091856414319
Energy: 0.4093486309207277
Energy: 0.15691648466979477
Energy: 0.259609028297756
Energy: 0.023053720742762934
Energy: 0.25960898446420944
Energy: 0.08395868782815358
Energy: 0.46583411253592955
Energy: 0.1416163772015266
Energy: 0.46583357762500754
Energy: 0.26210910301595947
Energy: 0.1641571743851074
Energy: 0.014828488042430853
Energy: 0.1641559429141005

minimum gb energy = -0.16501212640237595 eV
minimum distance =  2.2013262060465 Angstroms
sigma value = 25


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

Energy: 0.2310957227147324
Energy: 0.869821860824038
Energy: -0.15371473606840994
Energy: 0.8698218600578752
Energy: 0.2915074599110016
Energy: 0.5385844384825587
Energy: 0.3727639066192658
Energy: 0.5385824739756992
Energy: 0.36810409049308174
Energy: 0.5917160643355515
Energy: 0.41581545140138493
Energy: 0.5462257956646449
Energy: 0.5482659283727341
Energy: 0.2306575474805609
Energy: 0.26002393313641425
Energy: 0.1918481276959525
Energy: 0.31337328182480517
Energy: 0.7766642695459682
Energy: 0.5786554954532536
Energy: 0.7766642562217297
Energy: 0.03648311995295091
Energy: 0.6200684484704244
Energy: 0.30349167405102917
Energy: 0.6200685720940255
Energy: 0.2174890254285475
Energy: 0.28610772027382486
Energy: 0.00618183681354282
Energy: 0.3043964762536376
Energy: -0.22905890766051398
Energy: 0.8320040437432582
Energy: 0.21595809765801913
Energy: 0.8320336458624791
Energy: 0.12550568874892837
Energy: 0.7030556894975132
Energy: 0.27220589062202166
Energy: 0.7030556333284854
Energy: 0.4047002688985609
Energy: 0.611209422855129
Energy: 0.4204864642076047
Energy: 0.6112094434797813
Energy: 0.4042564373288382
Energy: 0.8220026732967813
Energy: 0.3843512365823591
Energy: 0.8221949514662023
Energy: 0.22945232786384345
Energy: 0.8289989741822711
Energy: 0.31453650082776674
Energy: 0.827708855820671
Energy: 0.3814987688936537
Energy: 0.5180089087200904
Energy: 0.39200258776025637
Energy: 0.5180085924579435
Energy: 0.02994112002987445
Energy: 0.32541877865972635
Energy: 0.2448180970892881
Energy: 0.33377291013272414
Energy: 0.05537754241037348
Energy: 0.882755627319994
Energy: 0.12897277681935082
Energy: 0.8827556277471957
Energy: 0.34978318624603266
Energy: 0.30604172557793
Energy: 0.24477731159037444
Energy: 0.31812016744834065
Energy: 0.290417839557909
Energy: 0.6422188665473065
Energy: 0.35960053336903763
Energy: 0.6421766111251359
Energy: 0.21950923414389759
Energy: 0.5104738541894627
Energy: 0.5429070327250165
Energy: 0.5109371097680162
Energy: 0.5370921807862331
Energy: 0.5002655787574547
Energy: 0.13595030460561286
Energy: 0.5002584538383942
Energy: 0.373221637622582
Energy: 0.5851588364359999
Energy: 0.4261121576912169
Energy: 0.5851586128018089
Energy: 0.2135012357593768
Energy: 0.6882490086601172
Energy: 0.386083459976071
Energy: 0.6882412308468447
Energy: 0.1926565574685302
Energy: 0.8689985690258565
Energy: -0.4867036936338935
Energy: 0.8689983593948298
Energy: 0.2477283932143331
Energy: 0.5101805730881742
Energy: -0.02824926657747333
Energy: 0.5101805751940846
Energy: 0.3247402485252731
Energy: 0.6783588063937924
Energy: 0.4039330576985855
Energy: 0.6783588064339225
Energy: 0.26884547943337667
Energy: 0.1102224360948016
Energy: 0.2839290209599584
Energy: 0.2660750121789998

minimum gb energy = -0.4867036936338935 eV
minimum distance =  2.22145875672868 Angstroms
sigma value = 9


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

Energy: 0.5909412101396578
Energy: 0.5218191071022938
Energy: 0.48706221476131434
Energy: 0.521876924996128
Energy: 0.34650217901610586
Energy: 0.6137460116449946
Energy: 0.6940193620425538
Energy: 0.6725013546992463
Energy: 0.5560216230163394
Energy: 0.4751917914606537
Energy: 0.7756628456265222
Energy: 0.4758409472706182
Energy: 0.5484986534385445
Energy: 0.30737112976474185
Energy: 0.28264614723081183
Energy: 0.26895401233396954
Energy: 0.25640872348282795
Energy: 0.7200570015519611
Energy: 0.5639966437270785
Energy: 0.7200571704081464
Energy: 0.5462547582199851
Energy: 0.4551951719239098
Energy: 0.34509224843911956
Energy: 0.4949712713577938
Energy: 0.520753614183307
Energy: 0.32842925782690735
Energy: 0.3825468739720469
Energy: 0.36569620206830733
Energy: 0.327724236628353
Energy: 0.46039310938974093
Energy: 0.4537040498892636
Energy: 0.4677248532651794
Energy: 0.5167107515971501
Energy: 0.527690976901146
Energy: 0.5329248843346105
Energy: 0.6717349775063108
Energy: 0.5606279710006984
Energy: 0.4782556021037571
Energy: 0.35837412665792673
Energy: 0.5076887755718154
Energy: 0.56284986352129
Energy: 0.611482041344905
Energy: 0.6883401697048143
Energy: 0.6590413295338897
Energy: 0.2104230568450122
Energy: 0.43090469918952906
Energy: 0.31470850499911696
Energy: 0.4213581615811576
Energy: 0.5472196846189162
Energy: 0.5107054818674082
Energy: 0.6593473884563757
Energy: 0.5033335330469987
Energy: 0.22109774002981514
Energy: 0.47413442879934514
Energy: 0.7422507019709109
Energy: 0.5507774152940677
Energy: 0.5622923828025354
Energy: 0.508416705307395
Energy: 0.2164972153709348
Energy: 0.49295242968461417
Energy: 0.18090218236517522
Energy: 0.4526309513640392
Energy: 0.3460312915013816
Energy: 0.4377291575210974
Energy: 0.5625541146755869
Energy: 0.6086947808430488
Energy: 0.5219426232225721
Energy: 0.6512372503182655
Energy: 0.5692693837707702
Energy: 0.48778603627924033
Energy: 0.3608054643993566
Energy: 0.457329707753271
Energy: 0.5131979414543596
Energy: 0.5060788089134971
Energy: 0.5495045314608684
Energy: 0.6893160677708473
Energy: 0.36008426388600434
Energy: 0.48696783602548965
Energy: 0.452998389726939
Energy: 0.5042678979280175
Energy: 0.5268988482604805
Energy: 0.3623328414068636
Energy: 0.37097227476409456
Energy: 0.3241942190105864

minimum gb energy = 0.18090218236517522 eV
minimum distance =  2.26344655965311 Angstroms
sigma value = 25


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

Energy: 0.9816207922325259
Energy: 0.9626609871810782
Energy: 0.8191516258761019
Energy: 0.9626610495579535
Energy: 0.8813675355398174
Energy: 0.9305895396739987
Energy: 0.8719048594826653
Energy: 0.930589564878946
Energy: 0.9156249833310822
Energy: 0.7899204829293608
Energy: 0.8959727590695414
Energy: 0.7899204866885946
Energy: 0.7640287627774578
Energy: 0.9630302458344058
Energy: 0.7454582174543285
Energy: 0.9630302388885272
Energy: 0.7379544280755862
Energy: 0.8548926102324491
Energy: 0.43749637940405944
Energy: 0.8549491534153232
Energy: 0.9125311643407923
Energy: 0.8593361635687767
Energy: 0.9036266757609571
Energy: 0.8593352563988007
Energy: 0.8972040905959818
Energy: 0.9653877916672018
Energy: 0.8964314536306388
Energy: 0.965387791488213
Energy: 0.6753424054424725
Energy: 0.9000957391712201
Energy: 0.7776345579941492
Energy: 0.900095739206742
Energy: 0.8931183388323486
Energy: 0.9510973119715211
Energy: 0.8589803550621973
Energy: 0.9510973146122857
Energy: 0.48650084586757014
Energy: 0.8131720199876097
Energy: 0.9030641211957582
Energy: 0.8131719984486849
Energy: 0.7818933037344564
Energy: 0.9560577174184623
Energy: 0.5140040547345589
Energy: 0.9560577117256391
Energy: 0.8885119282741119
Energy: 0.8083924830439767
Energy: 0.6330125332485069
Energy: 0.8083923467033897
Energy: 0.7271358623340926
Energy: 0.7171879832693995
Energy: 0.9121490630508304
Energy: 0.7785530715069969
Energy: 0.8870925712085503
Energy: 0.9668825772072769
Energy: 0.5017729103523458
Energy: 0.9668825774780304
Energy: 0.9247750742490095
Energy: 0.9339678441691465
Energy: 0.7826333091424721
Energy: 0.9339560182108144
Energy: 0.8541154100833189
Energy: 0.7683912055846877
Energy: 0.9076333132748602
Energy: 0.7686568475885567
Energy: 0.8985514978328868
Energy: 0.9727811211579177
Energy: 0.633104442320061
Energy: 0.9727811160938593

minimum gb energy = 0.43749637940405944 eV
minimum distance =  2.3058513522413 Angstroms
sigma value = 17


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

Energy: 0.9480155740470178
Energy: 0.9361498852943616
Energy: 0.6409610299548405
Energy: 0.9361500387920192
Energy: 0.9082769175414085
Energy: 0.9618046451299749
Energy: 0.9471023049452628
Energy: 0.9618046453587017
Energy: 0.9067627097569395
Energy: 0.9518524862543674
Energy: 0.9510742046582865
Energy: 0.9518524906867083
Energy: 0.9342409557001075
Energy: 0.9462186944745286
Energy: 0.8299933992735721
Energy: 0.9462186947979392
Energy: 0.9253827998237195
Energy: 1.1358123172782557
Energy: 0.8858060506111395
Energy: 1.1358122990084136
Energy: 0.969279135635726
Energy: 0.9593072067340409
Energy: 0.8588115845518247
Energy: 0.9593070590310648
Energy: 0.9178600730478358
Energy: 0.9741689573735582
Energy: 0.95077387007306
Energy: 0.9741689571071104
Energy: 0.8828222802100314
Energy: 0.9663689971539391
Energy: 0.9054554491203962
Energy: 0.9663691881833449
Energy: 0.9512343529842374
Energy: 1.1318119059091907
Energy: 0.8776326936814546
Energy: 1.1318119089154846
Energy: 0.8114146139044194
Energy: 1.0998437849607463
Energy: 0.9105031844821079
Energy: 1.0998437951920361
Energy: 0.9456194824164214
Energy: 1.1508799115404096
Energy: 0.8772039878316527
Energy: 1.1508798696559537
Energy: 0.8778009528591065
Energy: 0.9760519624647329
Energy: 0.8150717346807651
Energy: 0.9760519620424474
Energy: 0.8495375868360759
Energy: 0.8798264519592193
Energy: 0.882087616649866
Energy: 0.8798264542432496
Energy: 0.9135439254283113
Energy: 1.1170685411346204
Energy: 0.9023725982979864
Energy: 1.1170685428589688
Energy: 0.8503839322182996
Energy: 0.9532236550289093
Energy: 0.9348737249726163
Energy: 0.9532236562882218
Energy: 0.8755641439510975
Energy: 0.9843972213696992
Energy: 0.8772190004158572
Energy: 0.9843972214484562
Energy: 0.9520345971878167
Energy: 0.9973783213331353
Energy: 0.8217135527518562
Energy: 0.9973783207382473
Energy: 0.9171423093815287
Energy: 0.9132622218338604
Energy: 0.9707518379578087
Energy: 0.9132622234668784
Energy: 0.8430862239759748
Energy: 0.9510199843831804
Energy: 0.9083806293259203
Energy: 0.9510199848054661
Energy: 0.9466850902367249
Energy: 0.9306763045319523
Energy: 0.9378857733322578
Energy: 0.9306763232081914
Energy: 0.808262645564572
Energy: 1.1588877065961711
Energy: 0.9053747568904565
Energy: 1.1588875862196393
Energy: 0.9474287233025512
Energy: 0.8053560435285031
Energy: 0.8645680473213629
Energy: 0.8053615523172053
Energy: 0.8895961240940913
Energy: 1.1547666517121462
Energy: 0.941678060844797
Energy: 1.1547666562349799
Energy: 0.9310553436636961
Energy: 0.9532679133657541
Energy: 0.9066647607735334
Energy: 0.953267913341445
Energy: 0.8939761021831154
Energy: 0.9489549500989887
Energy: 0.8978628298345407
Energy: 0.9489549500947976
Energy: 0.8445596549544007
Energy: 1.166020686770249
Energy: 0.9429025795592891
Energy: 1.1660206867140865
Energy: 0.9470646269885071
Energy: 0.7674300553516483
Energy: 0.8237935318788357
Energy: 0.7674303025228202
Energy: 0.8674357045025036
Energy: 0.9774771143290073
Energy: 0.9054959117539843
Energy: 0.9774771140332206
Energy: 0.8173206945592456
Energy: 0.9460380112749924
Energy: 0.9207240235806499
Energy: 0.946038010552767
Energy: 0.9000494538756518
Energy: 0.9903757323920305
Energy: 0.9295579434702561
Energy: 0.9903757323048911

minimum gb energy = 0.6409610299548405 eV
minimum distance =  2.29185679451933 Angstroms
sigma value = 53


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

Energy: 1.0631756263230718
Energy: 1.0567918631619386
Energy: -2.0758669916456896
Energy: 1.0567918631619386
Energy: 1.0261113547081513
Energy: 1.0966739754463695
Energy: 0.8743376329095282
Energy: 1.0966739754463695
Energy: 1.0380436183090656
Energy: 1.0546452687461436
Energy: 0.8755201236906885
Energy: 1.0546452687480734
Energy: 1.0374253250009486
Energy: 1.0545746272464593
Energy: 0.8618865514341313
Energy: 1.0545746272464593
Energy: 1.0338661655220565
Energy: 1.096674674674164
Energy: 0.8527200111025321
Energy: 1.096674674674164
Energy: 1.0631756263230718
Energy: 1.0567918631600088
Energy: 0.8725803440916058
Energy: 1.0567918631619386
Energy: 1.0261113546656961
Energy: 1.0966739754463695
Energy: 0.9483665371043506
Energy: 1.0966739754463695
Energy: 1.0380436183109953
Energy: 1.0546452687461436
Energy: 1.0062268608566072
Energy: 1.0546452687461436
Energy: 1.0374253250009486
Energy: 1.0545746272483894
Energy: 0.9518296256835818
Energy: 1.0545746272464593
Energy: 1.0338661655220565
Energy: 1.096674674674164
Energy: 0.9477919938648147
Energy: 1.096674674674164
Energy: 1.0631756263230718
Energy: 1.0567918631600088
Energy: 0.8621001708934897
Energy: 1.0567918631619386
Energy: 1.0261113544226743
Energy: 1.0966739754463695
Energy: 0.9483665370966315
Energy: 1.0966739754463695
Energy: 1.0380436183109953
Energy: 1.0546452687480734
Energy: 1.006226856956331
Energy: 1.0546452687480734

minimum gb energy = -2.0758669916456896 eV
minimum distance =  2.29377792157442 Angstroms
sigma value = 9


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

Energy: 1.1121325752079934
Energy: 0.9873392447681228
Energy: 0.6828315350268022
Energy: 0.9873392447674085
Energy: 1.050948112025822
Energy: 1.0516140141108359
Energy: 0.9915754005774534
Energy: 1.0516140141086932
Energy: 0.9952178401597354
Energy: 1.0774123758430545
Energy: 0.9883039237028056
Energy: 1.0774123758394833
Energy: 0.9592145399311829
Energy: 1.0332675603874817
Energy: 0.9869528126725793
Energy: 1.0332675603874817
Energy: 0.9907101918214745
Energy: 1.1062381241279085
Energy: 0.9782995087303272
Energy: 1.106238124128623
Energy: 1.0883119031915267
Energy: 1.055975893001651
Energy: 0.9394460745638964
Energy: 1.0559758929995082
Energy: 1.0030766314051187
Energy: 0.9669748875332964
Energy: 0.9680948471961007
Energy: 0.9669748875332964
Energy: 0.9847021270442695
Energy: 0.9968646417294764
Energy: 0.928993776699471
Energy: 0.9968646417266195
Energy: 1.0007338751486712
Energy: 1.0484308310546102
Energy: 0.9858822974414088
Energy: 1.0484308310546102
Energy: 0.9870332676620587
Energy: 1.0965339972910844
Energy: 1.0119446863391173
Energy: 1.0965339972910844
Energy: 1.02808647661905
Energy: 1.0282333320279478
Energy: 0.9093025038552228
Energy: 1.0282333320272334
Energy: 1.0403151857023423
Energy: 0.9790808655778442
Energy: 0.9841974097558943
Energy: 0.9790808655778442
Energy: 0.9967019079989877
Energy: 1.0290474358841217
Energy: 0.9859369002165929
Energy: 1.0290474358819788
Energy: 0.9629353007408641
Energy: 1.1806116553254171
Energy: 1.0122961745886914
Energy: 1.180611655324703
Energy: 1.0126264056284335
Energy: 1.0370154565544045
Energy: 0.9821562099536025
Energy: 1.0370154565551188
Energy: 0.9956731178106287
Energy: 1.0437500584811956
Energy: 0.9374132645599899
Energy: 1.043750058482624
Energy: 1.00820603832208
Energy: 1.057658774936293
Energy: 1.0094252134314268
Energy: 1.057658774936293
Energy: 1.0222502306115782
Energy: 1.0340025319339745
Energy: 0.8854054103064378
Energy: 1.0340025319339745
Energy: 0.9988477020113943
Energy: 1.0222870157867476
Energy: 0.9560301455025444
Energy: 1.0222870157860335
Energy: 0.9838041918912925
Energy: 1.086861585333245
Energy: 1.0499532717193243
Energy: 1.0868615853325305
Energy: 0.9574062977054313
Energy: 1.030933756549195
Energy: 0.9595190430388217
Energy: 1.0309337565477665
Energy: 1.0081961563270494
Energy: 1.096739175343273
Energy: 0.9864994608882499
Energy: 1.0967391753447013
Energy: 0.9849321883822165
Energy: 1.0480165637584264
Energy: 1.0013786332863261
Energy: 1.0480165637562837
Energy: 0.8918722364754977
Energy: 1.23462375280727
Energy: 1.0261291607730683
Energy: 1.23462375280727
Energy: 0.9683098901681548
Energy: 0.824667487440821
Energy: 1.0582856246356167
Energy: 0.8246674874893898
Energy: 0.9561472929377467
Energy: 1.0605739432153987
Energy: 1.0008136173402693
Energy: 1.0605739432153987
Energy: 0.9757228831121543
Energy: 1.0396731382501068
Energy: 0.9589327498291007
Energy: 1.0396731382501068
Energy: 1.0213374434009657
Energy: 1.0325871760875462
Energy: 0.9600987658312139
Energy: 1.0325871760868321
Energy: 0.9551554013015691
Energy: 1.0609099527867951
Energy: 0.9996823967366394
Energy: 1.060909952786081
Energy: 0.9898115940920753
Energy: 0.8224493412335572
Energy: 1.0461369783710965
Energy: 0.8224493412420631
Energy: 0.9448227689069312
Energy: 0.9846041277691613
Energy: 1.0268472884392483
Energy: 0.9846041277698755
Energy: 0.9913071902751112
Energy: 1.0852074638318712
Energy: 0.9977303662230691
Energy: 1.0852074638318712
Energy: 0.9958129937878062
Energy: 1.0958052100453608
Energy: 0.9943240552314595
Energy: 1.095805210046075
Energy: 0.9581696528110465
Energy: 1.0260456336458377
Energy: 0.9575757989013093
Energy: 1.026045633647266
Energy: 0.9702887412033574
Energy: 1.014947640535094
Energy: 0.946505415795927
Energy: 1.0149476405343796

minimum gb energy = 0.6828315350268022 eV
minimum distance =  2.3206735472835 Angstroms
sigma value = 73


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

Energy: 0.9791892813345101
Energy: 0.9926967049056256
Energy: 0.802834704966172
Energy: 0.9926965892969785
Energy: 0.9645601108522804
Energy: 1.1191761514654557
Energy: 0.9423668295727351
Energy: 1.1191761516489582
Energy: 0.9576118793217887
Energy: 1.1370009043159757
Energy: 0.9512993566832378
Energy: 1.137000904755481
Energy: 0.9326545505016941
Energy: 1.0829331185676372
Energy: 0.9508179534051163
Energy: 1.0829331170951075
Energy: 0.896541212326224
Energy: 1.0630869684860698
Energy: 0.9357624511682318
Energy: 1.0630870339168859
Energy: 0.9607507190996482
Energy: 1.0548163848176786
Energy: 0.8538511495231057
Energy: 1.0548163846919436
Energy: 1.0147652157922642
Energy: 0.8762187942077903
Energy: 0.9534804549681728
Energy: 0.8762188413657706
Energy: 0.9745593865807212
Energy: 0.9421513081803663
Energy: 0.9698867140808438
Energy: 0.9421513082879698
Energy: 0.9105844723622597
Energy: 0.9355495270133669
Energy: 0.906031098481531
Energy: 0.9355495260245121
Energy: 0.9570147062173968
Energy: 1.0634699946986412
Energy: 0.9555803608264272
Energy: 1.0634699944471717
Energy: 0.8793263399961551
Energy: 0.9305885046093899
Energy: 0.9190421808457664
Energy: 0.930588504152912
Energy: 1.0223535667245414
Energy: 1.1082392998336883
Energy: 0.9268719513416301
Energy: 1.1082392997204185
Energy: 0.9771092832910032
Energy: 1.1015677489644966
Energy: 0.8777077087970647
Energy: 1.1015677567529993
Energy: 0.7646087684466394
Energy: 0.9169295933122213
Energy: 0.9634519201966701
Energy: 0.9169296184798434
Energy: 0.89046697452889
Energy: 1.0527312866234946
Energy: 0.9937325532946443
Energy: 1.0527312864173275
Energy: 0.9040702267617925
Energy: 1.1074879795913837
Energy: 0.9519134301968808
Energy: 1.1074879798564519
Energy: 0.9476672322781625
Energy: 1.0475433999144306
Energy: 0.9520069586350433
Energy: 1.0475433990762415
Energy: 0.9257551333672044
Energy: 1.0162394763805274
Energy: 0.9689458198272518
Energy: 1.016239476321626
Energy: 0.9524641383403295
Energy: 1.0864946473558688
Energy: 0.9759711103525595
Energy: 1.086494647357002
Energy: 0.948745715295582
Energy: 1.217358623556648
Energy: 1.026369050220371
Energy: 1.2173586231579385
Energy: 0.8874191432878837
Energy: 1.0346761250159229
Energy: 0.9569361392892494
Energy: 1.0346761359193632
Energy: 0.9459751647521475
Energy: 1.0950326155865109
Energy: 0.7891413408845842
Energy: 1.095032617631054

minimum gb energy = 0.7646087684466394 eV
minimum distance =  2.30639514440682 Angstroms
sigma value = 7


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

Energy: 1.1196073262026267
Energy: 1.1008066734932838
Energy: 0.6631963609642972
Energy: 1.1008066734924826
Energy: 1.0023299257989717
Energy: 1.1061857645684632
Energy: 1.0125973217401603
Energy: 1.1061857645700657
Energy: 0.9938535726361459
Energy: 1.1249910237140233
Energy: 0.9443730415699673
Energy: 1.1249910237156258
Energy: 0.880421365779696
Energy: 1.0516186896187258
Energy: 1.014720272044001
Energy: 1.0516186896195272
Energy: 1.004065528665324
Energy: 1.096671077410184
Energy: 0.9727707425449116
Energy: 1.0966710774109854
Energy: 0.9430152962645211
Energy: 0.9524883000563258
Energy: 0.9007075455349888
Energy: 0.9524883000539218
Energy: 1.071098640127591
Energy: 0.9015342900253882
Energy: 0.9719247047679037
Energy: 0.9015342903313394
Energy: 0.9523692060414625
Energy: 0.9559639840850656
Energy: 0.7278823422152981
Energy: 0.9559639840890355
Energy: 0.7941116819137424
Energy: 0.9402792064720618
Energy: 0.9792529608031307
Energy: 0.9402792076053924
Energy: 0.9552718794428958
Energy: 1.047018565649997
Energy: 1.0554781075178756
Energy: 1.0470185656483944
Energy: 0.8810670600987791
Energy: 1.050903441916217
Energy: 0.9183692898877179
Energy: 1.050903441915416
Energy: 0.9769573190764469
Energy: 1.1029664309002654
Energy: 0.9248736437705475
Energy: 1.1029664308986629
Energy: 0.9466057534192686
Energy: 1.050082522690173
Energy: 0.9150939972750771
Energy: 1.0500825226893717
Energy: 0.9449519823911531
Energy: 1.0346865730923207
Energy: 0.9274772869910252
Energy: 1.0346865730955257
Energy: 0.9700894451094096
Energy: 1.030403736033574
Energy: 1.0352048855353149
Energy: 1.0304037360351768
Energy: 0.7201236749868105
Energy: 1.0311403839076165
Energy: 1.0625488008415183
Energy: 1.0311403839076165
Energy: 0.9685003486031688
Energy: 1.039138905152279
Energy: 0.9146519967825677
Energy: 1.0391389051538817
Energy: 0.9702360771280747
Energy: 1.0925329643592672
Energy: 0.9244103418560697
Energy: 1.0925329643584658
Energy: 0.9687325049114138
Energy: 1.050712430712983
Energy: 0.9184997903052029
Energy: 1.0507124307121816
Energy: 0.9572281115500968
Energy: 1.0697086057965224
Energy: 0.9243411714283392
Energy: 1.0697086057941185
Energy: 0.8719717234534864
Energy: 1.0429519943252288
Energy: 0.9735259276212511
Energy: 1.0429519943252288
Energy: 0.9532676152752222
Energy: 1.0509334357412725
Energy: 1.0165600527123368
Energy: 1.0509334356179088
Energy: 1.0113912584280669
Energy: 0.9451661142089467
Energy: 0.9086769870341688
Energy: 0.9451661142177609
Energy: 0.9382002405573312
Energy: 0.943824074935414
Energy: 0.9580813470251892
Energy: 0.9438240749370167
Energy: 1.0440622629078045
Energy: 1.072405064422011
Energy: 0.91881832621845
Energy: 1.0724050644236134
Energy: 0.8760617331630622
Energy: 1.0491341284366893
Energy: 0.8597151877310887
Energy: 1.0491341284358882
Energy: 1.0044815412908306
Energy: 1.128280427331166
Energy: 0.9743504857700042
Energy: 1.1282804273295632
Energy: 0.8807086310118845
Energy: 1.0421965035986782
Energy: 1.0148522409724061
Energy: 1.0421965035978769
Energy: 1.0322293188125564
Energy: 1.1005494869462615
Energy: 0.790732114422195
Energy: 1.100549486947864
Energy: 1.0375377238783516
Energy: 1.0195435074451642
Energy: 1.0149446710043435
Energy: 1.0195435074435617
Energy: 1.0320768964449754
Energy: 1.1004348069628629
Energy: 0.9693530546600612
Energy: 1.1004348069620618

minimum gb energy = 0.6631963609642972 eV
minimum distance =  2.29661978042828 Angstroms
sigma value = 29


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

Energy: 0.9740512140207861
Energy: 0.8916502060220702
Energy: 0.8270562950106938
Energy: 0.89165020600461
Energy: 0.9373641814398962
Energy: 0.979396774497551
Energy: 0.9761062967119198
Energy: 0.9793967744939845
Energy: 1.0115647502491936
Energy: 1.1285768734958264
Energy: 0.9282669881791565
Energy: 1.1285768734955781
Energy: 0.9751140495444028
Energy: 1.0049510830691388
Energy: 0.97613696264312
Energy: 1.004951083062843
Energy: 0.9791405853981038
Energy: 0.9817855346875866
Energy: 0.8438739891706685
Energy: 0.9817855346965805
Energy: 0.8877447930492627
Energy: 1.0702610130010317
Energy: 0.8876151678659961
Energy: 1.0702610130013108
Energy: 0.8839477258591797
Energy: 0.9764160261744556
Energy: 0.9775294961944063
Energy: 0.9764160262254717
Energy: 0.9772435390063492
Energy: 1.0060999370278658
Energy: 0.9755774440645858
Energy: 1.0060999370057846
Energy: 0.9283669294445799
Energy: 1.127941858918001
Energy: 0.9296344856827908
Energy: 1.1279418589185595

minimum gb energy = 0.8270562950106938 eV
minimum distance =  2.305058996546 Angstroms
sigma value = 5


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

Energy: 0.9371019927608959
Energy: 0.8451333507050707
Energy: 0.26283830073570474
Energy: 0.8451333507057589
Energy: 1.0391581059055484
Energy: 0.8901700801359725
Energy: 0.8389570447474897
Energy: 0.8901700801367296
Energy: 0.8430502029917727
Energy: 0.8159657450718347
Energy: 0.9624331979905081
Energy: 0.8159657450703209
Energy: 0.7945926063215094
Energy: 0.870318543873462
Energy: 0.8818033268027379
Energy: 0.8703185438742188
Energy: 0.8858989839277537
Energy: 0.9446893591084139
Energy: 1.0722916220368108
Energy: 0.9446893591084139
Energy: 0.7528113714555826
Energy: 0.8539142876373355
Energy: 0.8394846613988487
Energy: 0.8539142876365785
Energy: 0.8454877289780225
Energy: 0.9400788532374676
Energy: 0.8453714102652445
Energy: 0.9400788532374676
Energy: 0.8465067421161875
Energy: 0.9342222326528027
Energy: 0.848062862417933
Energy: 0.9342222326520457
Energy: 0.8866723347964761
Energy: 0.9730219484344141
Energy: 0.8353995193560527
Energy: 0.9730219484344141
Energy: 0.8845652508226917
Energy: 0.9476880984735033
Energy: 0.8040125888382619
Energy: 0.9476880984719895
Energy: 0.7286299671562215
Energy: 0.934962416198408
Energy: 0.8454515864688797
Energy: 0.934962416198408
Energy: 0.8440973894993352
Energy: 0.8652954999299609
Energy: 0.8714411240325158
Energy: 0.8652954999299609
Energy: 0.7488271076592522
Energy: 0.8565920371082628
Energy: 0.8959566268682638
Energy: 0.8565920371082628
Energy: 0.8841224082028746
Energy: 0.8432827697479921
Energy: 0.9606537152298937
Energy: 0.8432827697479921
Energy: 0.8242545983975917
Energy: 0.8696408574748434
Energy: 0.8440317935147145
Energy: 0.8696408574718157
Energy: 0.8739236084601973
Energy: 0.8103553816246379
Energy: 0.7081605138908369
Energy: 0.8103553816253949
Energy: 1.0355151035664627
Energy: 0.8647182999914458
Energy: 0.8613467713864318
Energy: 0.8647182999922026
Energy: 0.8854082902569338
Energy: 0.8541336770199276
Energy: 0.6922095411297253
Energy: 0.8541336770206844
Energy: 0.844543403466001
Energy: 0.9638976899425008
Energy: 0.8415879190081654
Energy: 0.9638976899425008
Energy: 0.8437372938950857
Energy: 0.9421778935815565
Energy: 0.8601508799567249
Energy: 0.9421778935815565
Energy: 0.8044592383525785
Energy: 0.9331328867870414
Energy: 0.8839383804343572
Energy: 0.9331328867877984
Energy: 0.88732070682605
Energy: 0.9559674065366602
Energy: 0.8879203115315946
Energy: 0.9559674065359033
Energy: 0.8420239849670401
Energy: 0.9336727262762373
Energy: 0.8039774959358561
Energy: 0.9336727262754805
Energy: 0.8794632721955964
Energy: 0.9547004940922708
Energy: 0.8456461085622569
Energy: 0.9547004940922708
Energy: 0.8694039984427507
Energy: 0.8911589631879667
Energy: 0.8485962534498187
Energy: 0.8911589631887237
Energy: 0.8767544175505433
Energy: 0.8504188912469417
Energy: 0.8871992392601545
Energy: 0.8504188912469417
Energy: 0.8376758392096059
Energy: 0.8515534995515814
Energy: 0.8569621610520628
Energy: 0.8515534995515814
Energy: 0.42883846025839084
Energy: 0.8680917805248572
Energy: 0.873214385475036
Energy: 0.8680917805248572
Energy: 0.8420175727737991
Energy: 0.889620414992192
Energy: 1.042584468946287
Energy: 0.8896204149929489
Energy: 0.7942988825323637
Energy: 0.8483477956288175
Energy: 0.8851269748226377
Energy: 0.8483477956303314
Energy: 0.8359905501087953
Energy: 0.8453068496846269
Energy: 0.8441470101324124
Energy: 0.8453068496853838
Energy: 1.140441615990186
Energy: 0.80833639343003
Energy: 0.8438193575693832
Energy: 0.8083363934254886
Energy: 0.8756236485647981
Energy: 0.8640819658892681
Energy: 0.7920111588860237
Energy: 0.8640819658877542

minimum gb energy = 0.26283830073570474 eV
minimum distance =  2.32296644237923 Angstroms
sigma value = 1


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

Energy: 0.9167330755824505
Energy: 0.8243398589314582
Energy: 0.218223554877241
Energy: 0.8243398589304117
Energy: 0.9305219201834861
Energy: 0.8141674827025885
Energy: 0.8002929517070821
Energy: 0.8141674827036351
Energy: 0.7581111176953819
Energy: 0.824729065672785
Energy: 0.9866042791676041
Energy: 0.824729065672785
Energy: 0.759533314755568
Energy: 0.8818317332219952
Energy: 0.7818338735261872
Energy: 0.8818317332209485
Energy: 0.7583478302850207
Energy: 0.9399430393653442
Energy: 1.0670782378900605
Energy: 0.9399430393642976
Energy: 0.7534535392101409
Energy: 0.8958035106535709
Energy: 0.792541127309106
Energy: 0.8958035106493846
Energy: 0.7594780604578535
Energy: 0.9418512776888941
Energy: 0.7739700029803095
Energy: 0.9418512776899407
Energy: 0.7624741492124375
Energy: 0.8969049073818869
Energy: 0.7715657348520948
Energy: 0.8969049073818869
Energy: 0.8141138290582588
Energy: 0.8699288999792547
Energy: 0.7746965389485099
Energy: 0.8699288999792547
Energy: 0.7995871327275169
Energy: 0.8697663152696783
Energy: 0.771586560941531
Energy: 0.8697663152717714
Energy: 0.7621196020987009
Energy: 0.8969125417183447
Energy: 0.7922233272291429
Energy: 0.8969125417172982
Energy: 0.7594968255670117
Energy: 0.9421152054427379
Energy: 0.748468105038538
Energy: 0.9421152054416913
Energy: 0.7537662567457182
Energy: 0.8947295271399879
Energy: 0.7916265378550726
Energy: 0.8947295271420811
Energy: 0.758394449026252
Energy: 0.9415575578931968
Energy: 1.0606005815333661
Energy: 0.9415575578952898
Energy: 0.7368306752504779
Energy: 0.8830935091239643
Energy: 0.7913144921478698
Energy: 0.8830935091239643
Energy: 0.7581031446485282
Energy: 0.8241931565541456
Energy: 0.8553457608144814
Energy: 0.8241931565541456
Energy: 0.9229544105456872
Energy: 0.8148145930133941
Energy: 0.7959498874685113
Energy: 0.8148145930144407
Energy: 0.9167330755824505
Energy: 0.8243398589304117
Energy: 0.6079952027436172
Energy: 0.8243398589304117
Energy: 0.9244000082903798
Energy: 0.8141674827036351
Energy: 0.8002990973092381
Energy: 0.8141674827025885
Energy: 0.7581111176964284
Energy: 0.824729065672785
Energy: 0.9872128386661703
Energy: 0.824729065672785
Energy: 0.7590488162078082
Energy: 0.8818317332230418
Energy: 0.7818338735931679
Energy: 0.8818317332209485
Energy: 0.7583478302850207
Energy: 0.9399430393663908
Energy: 1.0670782378952934
Energy: 0.9399430393642976
Energy: 0.7534535392111876
Energy: 0.8958035106797353
Energy: 0.792541130309349
Energy: 0.8958035106807818
Energy: 0.7594780604568069
Energy: 0.9418512776888941
Energy: 0.794112076516883
Energy: 0.9418512776899407

minimum gb energy = 0.218223554877241 eV
minimum distance =  2.33291900004794 Angstroms
sigma value = 17


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

Energy: 0.8963558937115601
Energy: 0.8126790311484992
Energy: 0.8013336699912827
Energy: 0.8126790311478522
Energy: 0.8747905643319541
Energy: 0.8037578257211783
Energy: 0.7784149583976413
Energy: 0.8037578257205313
Energy: 0.7767771120482536
Energy: 0.7699233010813249
Energy: 1.0344269604107124
Energy: 0.7699233010813249
Energy: 0.709128572400717
Energy: 0.7638827149307187
Energy: 0.7792651234337762
Energy: 0.7638827149307187
Energy: 0.7428994039750166
Energy: 0.9229523005037467
Energy: 0.8340777892174257
Energy: 0.9229523005024529
Energy: 0.7134461359049571
Energy: 1.0458254374225682
Energy: 0.8153050707309147
Energy: 1.0458254374206275
Energy: 0.7794683483612262
Energy: 0.8531663122573638
Energy: 0.785534673514533
Energy: 0.8531663122593045
Energy: 0.7597539581578019
Energy: 1.0180968821708916
Energy: 0.7448128991012873
Energy: 1.0180968821721852
Energy: 0.7816736965830798
Energy: 1.050284925088607
Energy: 0.7274308479562526
Energy: 1.050284925088607
Energy: 0.783134980529526
Energy: 0.8789061183564217
Energy: 0.7808727215753906
Energy: 0.878906118355128
Energy: 0.7804078818790721
Energy: 0.8228288266564363
Energy: 0.7455730546481626
Energy: 0.8228288266525551
Energy: 0.7797315598442246
Energy: 0.8685138717293169
Energy: 0.7438403203909902
Energy: 0.8685138717293169
Energy: 0.71516467702901
Energy: 1.033766712134546
Energy: 0.7804633472187107
Energy: 1.0337667121351928
Energy: 0.7412498941245331
Energy: 0.8913442349691234
Energy: 0.8288136138442403
Energy: 0.891344234970417
Energy: 0.7450167007320744
Energy: 0.7852717586684722
Energy: 0.8250984987955331
Energy: 0.7852717586671785
Energy: 0.7770571936407712
Energy: 1.0013785919106872
Energy: 0.8402442892958292
Energy: 1.0013785919106872
Energy: 0.7562304765967048
Energy: 0.7795074649745611
Energy: 0.779037614417082
Energy: 0.7795074649758549
Energy: 0.8013879670156262
Energy: 0.8119797880894392
Energy: 0.7179478946969392
Energy: 0.8119797880855579
Energy: 1.0465962632888195
Energy: 0.8664293045306631
Energy: 0.7793786079820391
Energy: 0.8664293045300162
Energy: 0.8387886132610596
Energy: 0.770873738902604
Energy: 0.6310123092652331
Energy: 0.770873738902604
Energy: 0.8514628882169931
Energy: 0.792559012101261
Energy: 0.7756162944862436
Energy: 0.7925590121025547
Energy: 0.7728569070561238
Energy: 1.0556008991603818
Energy: 0.8341480737051367
Energy: 1.0556008991603818
Energy: 0.725586327612602
Energy: 0.8048699075522798
Energy: 0.811188712492655
Energy: 0.804869907556161
Energy: 0.7788202877246099
Energy: 0.8515330838469185
Energy: 0.9690825528664819
Energy: 0.8515330838482122
Energy: 0.6924793768881291
Energy: 0.8114161168068093
Energy: 0.7745358941178774
Energy: 0.8114161168061624
Energy: 0.7926998956981498
Energy: 0.8810463838972405
Energy: 0.7580786401168009
Energy: 0.8810463838965936
Energy: 0.93839167316336
Energy: 0.858430439737452
Energy: 0.7778681196667689
Energy: 0.8584304397393927
Energy: 0.8253892560727708
Energy: 1.0197379371469562
Energy: 0.7457398056480024
Energy: 1.0197379371469562
Energy: 0.8268115291816318
Energy: 0.8908916342544841
Energy: 0.7425833366182281
Energy: 0.8908916342570715
Energy: 0.7799496430801494
Energy: 0.8572637215121424
Energy: 0.7255581739996992
Energy: 0.8572637215108486
Energy: 0.7428792652452665
Energy: 0.8923025006951526
Energy: 0.779186404957841
Energy: 0.8923025006951526
Energy: 0.7446543356619064
Energy: 0.996411394820744
Energy: 0.7799086537558383
Energy: 0.9964113948194503
Energy: 0.7781082738829325
Energy: 0.8796384671904294
Energy: 0.9641291551585106
Energy: 0.8796384671897824
Energy: 0.7278066436248709
Energy: 1.0531275062924164
Energy: 0.8148967960726607
Energy: 1.0531275062930632
Energy: 0.7417293347908676
Energy: 0.8114219426259757
Energy: 0.7335319899351913
Energy: 0.8114219426259757
Energy: 0.7878306712730104
Energy: 0.8529800032463275
Energy: 0.7788961093238365
Energy: 0.8529800032463275
Energy: 0.8132151499854579
Energy: 0.8042048033871173
Energy: 0.7133002933491055
Energy: 0.8042048033864706
Energy: 0.9034978904525194
Energy: 0.8899702070497746
Energy: 0.7927249464452474
Energy: 0.8899702070413654

minimum gb energy = 0.6310123092652331 eV
minimum distance =  2.32778636431493 Angstroms
sigma value = 89


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

Energy: 0.7503026943902236
Energy: 0.6977052660868864
Energy: -0.5634608582960288
Energy: 0.6977052660868864
Energy: 0.6629721808006457
Energy: 0.7705089976572371
Energy: 0.7095513737530083
Energy: 0.7705089976572371
Energy: 0.7130683194754514
Energy: 0.9291297777109989
Energy: 1.0216464262614782
Energy: 0.9291297777109989
Energy: 0.6191066591201916
Energy: 0.7681457588757367
Energy: 0.7095356433620169
Energy: 0.7681457588757367
Energy: 0.7329662965019941
Energy: 0.7903427945287289
Energy: 0.6642864549867654
Energy: 0.7903427945287289
Energy: 0.7041357079769968
Energy: 0.7068877751552844
Energy: 0.7060279035055964
Energy: 0.7068877751552844
Energy: 0.7147601631885024
Energy: 0.9261254877322246
Energy: 0.673180271084255
Energy: 0.9261254877322246
Energy: 0.5595550576486095
Energy: -1.588212094402949
Energy: 0.6787453103185475
Energy: -1.6056642833413612
Energy: 0.7196959086777723
Energy: 0.7774947659792972
Energy: 0.5803688170630188
Energy: 0.7774947659792972
Energy: 0.7545092847995156
Energy: 0.6962297972590721
Energy: 0.7007658155812858
Energy: 0.6962297972590721
Energy: 0.7146346504066884
Energy: 0.7685574505440133
Energy: 0.6872446594647089
Energy: 0.7685574505440133
Energy: 0.6859168570391382
Energy: 0.9190574892384106
Energy: 0.6819652297857988
Energy: 0.9190574892384106
Energy: 0.7068316155598509
Energy: 0.707394447724603
Energy: 0.628620978779909
Energy: 0.707394447724603
Energy: 0.7011797804120916
Energy: 0.7947379703264169
Energy: 0.700652970910361
Energy: 0.7947379703264169
Energy: 0.5649517496057788
Energy: 0.7071822154099578
Energy: 0.7066378962677423
Energy: 0.7071822154099578

minimum gb energy = -1.6056642833413612 eV
minimum distance =  2.33785251651528 Angstroms
sigma value = 13


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

Energy: 0.7402104697379058
Energy: 0.64648337539421
Energy: 0.4147665365934125
Energy: 0.6464833753913724
Energy: 0.9880392027320767
Energy: 0.6976362015733385
Energy: 0.6014203476870287
Energy: 0.6976362015811417
Energy: 0.654182207860817
Energy: 0.8117760812574748
Energy: 0.9417639847077299
Energy: 0.811776081256056
Energy: 0.6262033635825253
Energy: 0.6977400682307039
Energy: 0.6057263753431978
Energy: 0.6977400682292851
Energy: 0.6544424239481024
Energy: 0.8107613484288859
Energy: 0.6232786565992269
Energy: 0.810761348427467
Energy: 0.5508405068649228
Energy: 0.697255253487511
Energy: 0.6443576563067571
Energy: 0.6972552534889299
Energy: 0.6547489700976187
Energy: 0.7264548222706927
Energy: 0.8560931086205777
Energy: 0.7264548222706927
Energy: 0.543959647057986
Energy: 0.8647520123615112
Energy: 0.6438192350705148
Energy: 0.8647520123622207
Energy: 0.6548634160370332
Energy: 0.7336751613374433
Energy: 0.8012516338491424
Energy: 0.7336751613353151
Energy: 0.7422437518189771
Energy: 0.864902057547892
Energy: 0.6024323628529993
Energy: 0.8649020575464731
Energy: 0.6548243231181159
Energy: 0.7728070153725667
Energy: 0.5618439304522223
Energy: 0.7728070153704384
Energy: 0.785290044955715
Energy: 0.7605451773552986
Energy: 0.6026410979360617
Energy: 0.7605451773545892
Energy: 0.7068891226714575
Energy: 0.6750594335715644
Energy: 0.5082243574213552
Energy: 0.6750594335758209
Energy: 1.0023123188255485
Energy: 0.760785709927588
Energy: 0.6033022349595709
Energy: 0.7607857099268786
Energy: 0.6553314029164776
Energy: 0.6460991593302289
Energy: 0.5084850226577435
Energy: 0.6460991593302289
Energy: 0.606822838112654
Energy: 0.7609068621854633
Energy: 0.6042379572485311
Energy: 0.7609068621861727
Energy: 0.6012705148713864
Energy: 0.6443965797810386
Energy: 0.6040203575295423
Energy: 0.6443965797767821
Energy: 0.6021721910411677
Energy: 0.7320553680789332
Energy: 0.6546248849274962
Energy: 0.7320553680753862
Energy: 0.6013377098391421
Energy: 0.67499775443473
Energy: 0.6550451509205037
Energy: 0.6749977544361487
Energy: 0.601162440128483
Energy: 0.6759112892712603
Energy: 0.6541473766579956
Energy: 0.6759112892726791
Energy: 0.6022497963618799
Energy: 0.7321913621695996
Energy: 0.6537545989369409
Energy: 0.7321913621688901
Energy: 0.6020835404448268
Energy: 0.6442226651395898
Energy: 0.6034958475587076
Energy: 0.644222665141718
Energy: 0.6068315620100432
Energy: 0.7608659856629331
Energy: 0.6041572952809331
Energy: 0.7608659856593861
Energy: 0.6553873406193326
Energy: 0.6463018862696431
Energy: 0.5345506180424229
Energy: 0.646301886271062
Energy: 1.002625695561313
Energy: 0.760726690422961
Energy: 0.603810090221992
Energy: 0.760726690426508
Energy: 0.7422120102830904
Energy: 0.6752902816095082
Energy: 0.5750047045191145
Energy: 0.6752902816066705
Energy: 0.7866539665957901
Energy: 0.7605335298872234
Energy: 0.6009026190505843
Energy: 0.7605335298886423
Energy: 0.6546265969833267
Energy: 0.7537457734262651
Energy: 0.5610090167313303
Energy: 0.7537457734326498
Energy: 0.7416121830001908
Energy: 0.8649630368230158
Energy: 0.6025114778966774
Energy: 0.8649630368286911
Energy: 0.6547748137097682
Energy: 0.7332791334016474
Energy: 0.8009859060315492
Energy: 0.7332791333981004
Energy: 0.5456178552398568
Energy: 0.8646498094590419
Energy: 0.6441749572522081
Energy: 0.8646498094583325
Energy: 0.654758833728042
Energy: 0.7265071085243349
Energy: 0.997726678673616
Energy: 0.7265071085186597
Energy: 0.551340321118916
Energy: 0.6966274564588515
Energy: 0.6429983170406883
Energy: 0.6966274564595608
Energy: 0.6549151838387961
Energy: 0.8107793277674662
Energy: 0.9593614488019717
Energy: 0.8107793277646285
Energy: 0.6259785730379859
Energy: 0.6980229501652837
Energy: 0.6059634316120039
Energy: 0.6980229501681214

minimum gb energy = 0.4147665365934125 eV
minimum distance =  2.33990420389965 Angstroms
sigma value = 37


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

Energy: 0.6619952175269919
Energy: 0.6502067519843949
Energy: 0.41621769287373583
Energy: 0.6502067519856155
Energy: 1.147479787679421
Energy: 0.6446221241629526
Energy: 0.504504959056004
Energy: 0.6446221241653936
Energy: 0.5288911703375716
Energy: 0.8877836972019193
Energy: 0.6438605392993765
Energy: 0.8877836972068014
Energy: 0.4365782517128822
Energy: 0.5969488405479801
Energy: 0.5036946773450015
Energy: 0.5969488405504211
Energy: 0.4952722855244199
Energy: 0.6431104358718103
Energy: 0.4472954445221959
Energy: 0.6431104358718103
Energy: 0.38892846578280993
Energy: 0.6428740331289082
Energy: 0.49603880513350257
Energy: 0.6428740331289082
Energy: 0.5737961830416318
Energy: 0.717190740892982
Energy: 0.8250168342924419
Energy: 0.7171907408917614
Energy: 0.4954895277948015
Energy: 0.6508647930396465
Energy: 0.6602848893146855
Energy: 0.6508647930396465
Energy: 0.5018169339248018
Energy: 0.6432329009510417
Energy: 0.7706423409357577
Energy: 0.6432329009510417
Energy: 0.6688165338582637
Energy: 0.6841313692061557
Energy: 0.51752970804276
Energy: 0.6841313689816937
Energy: 0.5755638979389366
Energy: 0.7181114426654727
Energy: 0.4961793364650722
Energy: 0.7181114426679137
Energy: 0.7725853335193731
Energy: 0.6442394780461542
Energy: 0.5000921245836357
Energy: 0.6442394780461542
Energy: 0.45596084976494966
Energy: 0.6427361085153939
Energy: 0.35481701585701564
Energy: 0.6427361085153939
Energy: 0.8326286153828735
Energy: 0.71837218633289
Energy: 0.5050150835471521
Energy: 0.71837218633289
Energy: 0.5539245300323881
Energy: 0.6648106836638198
Energy: 0.5030103271745677
Energy: 0.6648106836638198
Energy: 0.5572166097389929
Energy: 0.6429840450554339
Energy: 0.5113146977140429
Energy: 0.6429840450554339
Energy: 0.49182668521593925
Energy: 0.689683240655749
Energy: 0.4259514961094075
Energy: 0.6896832406874546
Energy: 0.5110197614269729
Energy: 0.7019459985676485
Energy: 0.42654817155690866
Energy: 0.7019459985676485
Energy: 0.5126722891782001
Energy: 0.6440837939387448
Energy: 0.4980905442602222
Energy: 0.6440837939399653
Energy: 0.5032710416775779
Energy: 0.6305075797561027
Energy: 0.5032775907389394
Energy: 0.6305075797561027

minimum gb energy = 0.35481701585701564 eV
minimum distance =  2.36645732638943 Angstroms
sigma value = 25


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

Energy: 0.7214744540897259
Energy: 0.44631096758925765
Energy: 0.19044084444817455
Energy: 0.44631096758735156
Energy: 1.1958952258397026
Energy: 0.5930485642228893
Energy: 0.4243117694132321
Energy: 0.5930485642228893
Energy: 0.5752793996668476
Energy: 0.5503676426365499
Energy: 0.5189620775266749
Energy: 0.550367642635597
Energy: 0.7246913181322345
Energy: 0.5374823205664173
Energy: 0.4187432985506952
Energy: 0.5374823205664173
Energy: 0.4666350876535397
Energy: 0.49644020973531217
Energy: 0.3449420186131148
Energy: 0.49644020973531217
Energy: 0.42964769602540265
Energy: 0.5741543065062659
Energy: 0.45854150040605035
Energy: 0.5741543065043598
Energy: 0.4301829621792466
Energy: 0.42463656080365586
Energy: 0.5212251383075106
Energy: 0.4246365608027028
Energy: 0.2350944742191321
Energy: 0.6697675510242924
Energy: 0.555768567865776
Energy: 0.6697675510223864
Energy: 0.4304348512504901
Energy: 0.5087563962091819
Energy: 0.9848114610735834
Energy: 0.5087563962091819
Energy: 0.16622283226000725
Energy: 0.4153569390021197
Energy: 0.5931158932979442
Energy: 0.4153569390021197
Energy: 0.42520452132948683
Energy: 0.426460889975158
Energy: 0.9022984524616068
Energy: 0.426460889976111
Energy: 0.5189728679031606
Energy: 0.9522575756086626
Energy: 0.5578391315241252
Energy: 0.9522575368184917
Energy: 0.4187163108735505
Energy: 0.539792761209264
Energy: 0.7432459755903498
Energy: 0.539792761209264
Energy: 0.6222024932926616
Energy: 0.764927710092036
Energy: 0.4599811878477355
Energy: 0.7649277100910828
Energy: 0.44559904575472686
Energy: 0.42482270304178904
Energy: 0.43016299939254565
Energy: 0.424822703042742
Energy: 0.7590387778886302
Energy: 0.8637078225822286
Energy: 0.3864872685722049
Energy: 0.8637078225898529
Energy: 0.5624047803778621
Energy: 0.5754807872171168
Energy: 0.270787408878021
Energy: 0.5754807872161637
Energy: 0.8220180770484309
Energy: 0.5046238945379053
Energy: 0.43063545476117443
Energy: 0.5046238945398115
Energy: 0.7169700658542112
Energy: 0.45994430422318167
Energy: 0.30573864159879005
Energy: 0.45994430422413474
Energy: 1.0391525444147616
Energy: 0.6617862803705536
Energy: 0.4178177238826348
Energy: 0.6617862803696006
Energy: 0.5622830067681386
Energy: 0.8672834046299565
Energy: 0.2948356075320973
Energy: 0.8672834046270973
Energy: 0.5620994933943766
Energy: 0.5397856505111516
Energy: 0.4256572776721013
Energy: 0.5397856505121045
Energy: 0.44469273919729657
Energy: 0.7608126092925888
Energy: 0.6202896511791556
Energy: 0.7608126092935419
Energy: 0.44923340216998847
Energy: 0.6629065343426725
Energy: 0.4539297882626795
Energy: 0.6629065343426725
Energy: 0.40717825056927825
Energy: 0.8671164118960318
Energy: 0.751164648909217
Energy: 0.8671164118960318
Energy: 0.3227709959075862
Energy: 0.5756063288607857
Energy: 0.5534593266530791
Energy: 0.5756063288607857

minimum gb energy = 0.16622283226000725 eV
minimum distance =  2.34201826787006 Angstroms
sigma value = 41


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

Energy: 0.7133093597287011
Energy: 0.3896762009786551
Energy: 0.11987736521985996
Energy: 0.3896762009778737
Energy: 1.006826340591812
Energy: 0.3118456721944451
Energy: 0.2555170128940847
Energy: 0.3118456721944451
Energy: 0.4210616402691792
Energy: 0.20942572205045934
Energy: 0.6281679667483023
Energy: 0.20942572205045934
Energy: 0.644815109439054
Energy: 0.3120006791117781
Energy: 0.2519901527280729
Energy: 0.31200067911021534
Energy: 0.25137068804189927
Energy: 0.7579039157292212
Energy: 0.11745301063489423
Energy: 0.7579039157292212
Energy: 0.4130617086041019
Energy: 0.3117050824799779
Energy: 0.2513538117315789
Energy: 0.3117050824807593
Energy: 0.25323100563938195
Energy: 0.3097157571575233
Energy: 0.19302824910895122
Energy: 0.30971575715674204
Energy: 0.12113666814566228
Energy: 0.3996025994520843
Energy: 0.254400375722227
Energy: 0.39960259945130294
Energy: 0.24968043199917303
Energy: 0.5443542052944659
Energy: 0.5398645296300303
Energy: 0.5443542052944659
Energy: 0.09206532031791369
Energy: 0.19192742074831468
Energy: 0.42416163644101734
Energy: 0.19192742506100138
Energy: 0.25289694768422005
Energy: 0.3080671612178377
Energy: 0.8277425272068938
Energy: 0.3080671612178377
Energy: 0.11178001686840874
Energy: 0.3868706585744386
Energy: 0.696927017990024
Energy: 0.38687065857912667
Energy: 0.24981252597637002
Energy: 0.5305192757825083
Energy: 0.8368570208736011
Energy: 0.530519275784071
Energy: 0.28232936665076763
Energy: 0.5009445062772568
Energy: 0.42131693114546925
Energy: 0.5009445062764756
Energy: 0.2316852863825807
Energy: 0.3119930012289268
Energy: 0.6507896735543508
Energy: 0.31199300122814544
Energy: 0.39945034808303537
Energy: 0.40853866379547
Energy: 0.2547377310873923
Energy: 0.4085386637977785
Energy: 0.24733339196826395
Energy: 0.39496236634021975
Energy: 0.5405709796637153
Energy: 0.3949623663417824
Energy: 0.37463767503917184
Energy: 0.498991088044767
Energy: 0.24682678150871606
Energy: 0.4989910880455483
Energy: 0.2513248880229728
Energy: 0.40694276659635675
Energy: 0.0786353113730612
Energy: 0.40694276659557543
Energy: 0.46881316648702187
Energy: 0.40856374300815285
Energy: 0.2521554808911046
Energy: 0.40856374300893417
Energy: 0.42035208662086077
Energy: 0.38991597309195347
Energy: 0.1364725214451783
Energy: 0.3899159730849214
Energy: 0.8366281707272109
Energy: 0.757482083494264
Energy: 0.25026940411934145
Energy: 0.7574820834927014
Energy: 0.7043368298083539
Energy: 0.3961491983882486
Energy: 0.1042446984725319
Energy: 0.3961491983882486
Energy: 0.6967162480877013
Energy: 0.3916618845578252
Energy: 0.24969870321758852
Energy: 0.3916618845593879
Energy: 0.4243141365208226
Energy: 0.49988422850040326
Energy: 0.1488247750864858
Energy: 0.4998842285152489
Energy: 0.653549668635699
Energy: 1.0110809243450012
Energy: 0.2152951869091167
Energy: 1.0110809243450012
Energy: 0.2560971753895368
Energy: 0.4081833099047068
Energy: 0.3783876814666518
Energy: 0.4081833099031441
Energy: 0.21087120750468163
Energy: 0.39424565511912707
Energy: 0.22777658491472175
Energy: 0.39424565511990844
Energy: 0.24784690078943383
Energy: 0.49829917307886223
Energy: 0.3812028200841435
Energy: 0.49829917307886223
Energy: 0.1278247746319141
Energy: 0.9715953458263332
Energy: 0.2515637827906425
Energy: 0.9715953458263332
Energy: 0.24073316586789348
Energy: 0.40821123821471356
Energy: 0.4379644760512412
Energy: 0.40821123821315086
Energy: 0.1481341004766598
Energy: 0.3927316271234527
Energy: 0.4193673960333218
Energy: 0.3927316271234527

minimum gb energy = 0.0786353113730612 eV
minimum distance =  2.34484513355812 Angstroms
sigma value = 15


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

Energy: 0.6605911600253648
Energy: 0.2599977528383558
Energy: 0.02348374055980828
Energy: 0.2599977528383558
Energy: 0.9413960459665686
Energy: 0.28479304247268994
Energy: 0.30653155947546545
Energy: 0.2847930424687185
Energy: 0.4305905069718129
Energy: 0.22264924963544505
Energy: 0.20187160345351038
Energy: 0.22264909374507302
Energy: 0.6241278698860909
Energy: 0.2868089568317528
Energy: 0.31151923548134297
Energy: 0.2868089568317528
Energy: 0.2999143570607234
Energy: 0.6009119907360129
Energy: 0.04322395621075873
Energy: 0.6009119907287319
Energy: 0.46763228972064624
Energy: 0.2823886293319277
Energy: 0.30939691144890913
Energy: 0.2823886293352373
Energy: 0.30079223224009866
Energy: 0.4369872237407859
Energy: 0.10090848709289468
Energy: 0.43698722374012405
Energy: 0.25959509699558897
Energy: 0.44501858808862066
Energy: 0.3018284907085912
Energy: 0.4450185880912683
Energy: 0.2989406976678126
Energy: 0.34718245359022115
Energy: 0.43972723418793985
Energy: 0.3471824535922069
Energy: -0.06979656157880257
Energy: 0.28431567386399914
Energy: 0.30639491134388197
Energy: 0.2843156738633372
Energy: 0.3021849601860174
Energy: 0.2595311766440272
Energy: 0.5969499052193908
Energy: 0.2595311766440272
Energy: -0.004990718933595849
Energy: 0.25480778595180087
Energy: 0.43293791751987726
Energy: 0.25480778595180087
Energy: 0.307415310332496
Energy: 0.3562484540428873
Energy: 0.785949900340735
Energy: 0.35624845371939295
Energy: -0.034393680942427465
Energy: 0.296340721947578
Energy: 0.6653720872901536
Energy: 0.2963407219495638
Energy: 0.30469286313770116
Energy: 0.38929370906647814
Energy: 0.7547995397416065
Energy: 0.38929370906184474
Energy: 0.18629383178021552
Energy: 0.25681443718111807
Energy: 0.43118083244111866
Energy: 0.25681443718051633
Energy: 0.2956198897023374
Energy: 0.35670577659374797
Energy: 0.626414305300172
Energy: 0.3567057748020733
Energy: 0.20747048281527544
Energy: 0.5935502927021121
Energy: 0.298979685804676
Energy: 0.5935502927014503
Energy: 0.30209843410304915
Energy: 0.2837810439224145
Energy: 0.468252880862483
Energy: 0.28378104392175263
Energy: 0.20022991802478607
Energy: 0.2711212657541993
Energy: 0.30675762895739284
Energy: 0.27112126581106355
Energy: 0.30206952790818975
Energy: 0.5420823182841462
Energy: 0.37478594561541484
Energy: 0.5420823182821605
Energy: 0.34179216260114453
Energy: 0.34201789836958324
Energy: 0.3001094186532592
Energy: 0.34201789836958324
Energy: 0.31802816850510324
Energy: 0.2868442634552178
Energy: -0.026083535335832016
Energy: 0.2868442634519083
Energy: 0.6567567828407208
Energy: 0.27636660433817056
Energy: 0.305115798038975
Energy: 0.27636660433817056
Energy: 0.42718962431044977
Energy: 0.41282810987096313
Energy: -0.04413591750512887
Energy: 0.4128281098769203
Energy: 0.7301958068614106
Energy: 0.3586397133104013
Energy: 0.3047975300905043
Energy: 0.35863971331966804
Energy: 0.6605316102907638
Energy: 0.29567355245226695
Energy: -0.03612536902606025
Energy: 0.29567355245425275
Energy: 0.7992007524135362
Energy: 0.28570708675386186
Energy: 0.3032996868273064
Energy: 0.2857070870866831
Energy: 0.4324703490582492
Energy: 0.6736747659574593
Energy: 0.033977989183829015
Energy: 0.6736747659567974
Energy: 0.5227762832755394
Energy: 0.34896937656399263
Energy: 0.29651299674896275
Energy: 0.34896937656465465
Energy: 0.30289932762000693
Energy: 0.5915728910387356
Energy: 0.21041938672826727
Energy: 0.591572891035426
Energy: 0.4705686407250555
Energy: 0.28943601572971184
Energy: 0.29379036955047344
Energy: 0.28943601573169764
Energy: 0.3062262239937918
Energy: 0.6726320665117715
Energy: 0.2053397434905428
Energy: 0.6726320665130953
Energy: 0.08554217829609605
Energy: 0.413237087303298
Energy: 0.29332893616241046
Energy: 0.4132370873026361
Energy: 0.0696136734711235
Energy: 0.5894641274787824
Energy: 0.3134592591924025
Energy: 0.5894641274767967
Energy: -0.020432164004385793
Energy: 0.28611676218573184
Energy: 0.3091531648198996
Energy: 0.2861167621837461
Energy: 0.2929579816591911
Energy: 0.6714797401710104
Energy: 0.6567877018549292
Energy: 0.6714797401716722

minimum gb energy = -0.06979656157880257 eV
minimum distance =  2.26655858160715 Angstroms
sigma value = 85


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

Energy: 0.734267071792982
Energy: 0.4312636182005889
Energy: 0.04412467716534831
Energy: 0.431263618201163
Energy: 0.9576048003355847
Energy: 0.42987952300886784
Energy: 0.3314453088276662
Energy: 0.42987952300944193
Energy: 0.6391937459485699
Energy: 0.5404429760558822
Energy: 0.018409681676724084
Energy: 0.5404429760576045
Energy: 0.6188231019210744
Energy: 0.4305057401161723
Energy: 0.3312873935212135
Energy: 0.430505740256743
Energy: 0.43770345301929275
Energy: 0.32316470095910194
Energy: 0.01875678767095144
Energy: 0.32316470095910194
Energy: 0.47991067961505124
Energy: 0.4330470403422074
Energy: 0.33132964073061416
Energy: 0.43304704033933705
Energy: 0.33166317011015495
Energy: 0.6898007459504948
Energy: 0.17162181697407608
Energy: 0.6898007459504948
Energy: 0.27427647814864414
Energy: 0.5353695148941539
Energy: 0.331193175477817
Energy: 0.5353695148941539
Energy: 0.3328117068548968
Energy: 0.38860849038091194
Energy: 0.4215517957967888
Energy: 0.38860849038148604
Energy: 0.17968053312230484
Energy: 0.5833289875498735
Energy: 0.33172215416887035
Energy: 0.5833289875498735
Energy: 0.32995763237431786
Energy: 0.5409596248311804
Energy: 0.490670589534452
Energy: 0.5409596248311804
Energy: -0.07826705534694815
Energy: 0.42970507007615155
Energy: 0.43804701423367753
Energy: 0.4297050700750034
Energy: 0.3291801665312478
Energy: 0.3864780904644759
Energy: 0.6257773709437128
Energy: 0.3864780904639018
Energy: -0.08932501032892622
Energy: 0.5390348043907643
Energy: 0.6386243297660235
Energy: 0.5390348043913383
Energy: 0.3302868616103468
Energy: 0.5350934189074921
Energy: 0.7662725199316461
Energy: 0.5350934189086403
Energy: -0.038982308788482974
Energy: 0.4318097178191596
Energy: 0.7339936617681475
Energy: 0.4318097178203078
Energy: 0.3312328962290584
Energy: 0.3878660841493426
Energy: 0.7823989225206627
Energy: 0.3878660841493426
Energy: 0.0014913912338341958
Energy: 0.538797840880755
Energy: 0.6385027580467137
Energy: 0.538797840880181
Energy: 0.32981178478698925
Energy: 0.5350368960317761
Energy: 0.5470456370672421
Energy: 0.535036896038091
Energy: 0.10781551276868977
Energy: 0.428455244262123
Energy: 0.43768274632950155
Energy: 0.4284552441955562
Energy: 0.3323230248714646
Energy: 0.387173709172069
Energy: 0.45512846751813407
Energy: 0.38717370917264304
Energy: 0.1191214006173273
Energy: 0.4340720595539831
Energy: 0.33145531037101406
Energy: 0.43407205954364964
Energy: 0.3312554633977061
Energy: 0.4297722940374193
Energy: 0.30880424905542025
Energy: 0.4297722940368452
Energy: 0.31756204653982983
Energy: 0.4641679946038857
Energy: 0.33182077694523193
Energy: 0.4641679946044598
Energy: 0.3322799278088119
Energy: 0.4346795135920214
Energy: 0.16692552483394257
Energy: 0.43467951359259543
Energy: 0.48435456936129434
Energy: 0.43372776306836974
Energy: 0.3303779687758975
Energy: 0.43372776306320304
Energy: 0.43698863627020024
Energy: 0.42970605388073924
Energy: -0.0435183873582003
Energy: 0.4297060538927949
Energy: 0.6702485520115227
Energy: 0.4629552429681425
Energy: 0.33057231916374963
Energy: 0.46295524296469803
Energy: 0.6373204677519065
Energy: 0.43494824482231054
Energy: -0.12112173997313917
Energy: 0.43494824482231054
Energy: 0.7606557826962789
Energy: 0.6325817762481972
Energy: 0.3294496936634322
Energy: 0.6325817762487713
Energy: 0.7347482481920178
Energy: 0.4319769989725424
Energy: -0.08229829935896382
Energy: 0.4319769989736906
Energy: 0.7950638865944925
Energy: 0.4630297569637652
Energy: 0.3312607825027625
Energy: 0.4630297569660615
Energy: 0.6372336665036752
Energy: 0.43418401753915353
Energy: -0.08692147733152085
Energy: 0.4341840175403017
Energy: 0.5650968717329323
Energy: 0.6324668406927411
Energy: 0.33016900862057375
Energy: 0.6324668406921671
Energy: 0.4377886512444128
Energy: 0.4282751096828622
Energy: 0.11691221482537723
Energy: 0.4282751096834363
Energy: 0.4272439126272376
Energy: 0.46242621480729196
Energy: 0.3307217025323131
Energy: 0.46242621480844015
Energy: 0.33079378131840653
Energy: 0.43406803364704055
Energy: 0.14977612952252678
Energy: 0.4340680336464665
Energy: 0.3349901589618389
Energy: 0.43015201897891925
Energy: 0.3292692738290515
Energy: 0.4301520189794933
Energy: 0.3302269933310136
Energy: 0.42927351088014293
Energy: 0.3012252539034645
Energy: 0.4292735108795689
Energy: 0.15795589059530768
Energy: 0.6101195333536571
Energy: 0.3299470856533213
Energy: 0.6101195336497502
Energy: 0.32763415136213414
Energy: 0.4337030150059705
Energy: 0.47747964795579834
Energy: 0.43370301500539643
Energy: -0.03719950154968456
Energy: 0.42980307894295106
Energy: 0.43727184771149935
Energy: 0.4298030789377844
Energy: 0.33005636799799826
Energy: 0.4296444191841055
Energy: 0.6720647071676727
Energy: 0.4296444191841055

minimum gb energy = -0.12112173997313917 eV
minimum distance =  2.32851991831853 Angstroms
sigma value = 113


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

Energy: 0.018227904200171584
Energy: 0.01881964558266584
Energy: -0.04856070014559115
Energy: 0.01881964558266584
Energy: 0.6089659272671455
Energy: -3.3580023395595857
Energy: -3.3581640447812977
Energy: -3.3580023395595857
Energy: 0.018227904200171584
Energy: 0.018819645582224518
Energy: -0.04822620407814965
Energy: 0.01881964558266584
Energy: 0.608965927267979
Energy: -3.3580023395599783
Energy: -3.358164044780856
Energy: -3.3580023395595857
Energy: 0.018227904200171584
Energy: 0.01881964558266584
Energy: -0.0482902995266765
Energy: 0.01881964558266584
Energy: 0.6089659272671455
Energy: -3.3580023395595857
Energy: -3.3581640447817387
Energy: -3.3580023395595857

minimum gb energy = -3.3581640447817387 eV
minimum distance =  2.47447303381074 Angstroms
sigma value = 1