Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665045946836467
cohesive_energy=13.884706401845953
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-3.74415861952728e-25, 1.3955278917466799e-18, 1.59811511623281e-18, 1.75087464740154e-18, 1.846508570685e-18, 1.90918572060708e-18, 1.95678638840322e-18, 1.9980905020277398e-18, 2.03566154409504e-18, 2.06948349283878e-18, 2.09902762996974e-18, 2.1241657813571998e-18, 2.14513827349626e-18, 2.16244178114346e-18, 2.1766691096533798e-18, 2.18831693378256e-18, 2.1978338629885198e-18, 2.2055563543643998e-18, 2.2117247344053e-18, 2.2165312643072997e-18, 2.2201041182011198e-18, 2.2225394266848e-18, 2.22394934212272e-18, 2.2243979515802397e-18, 2.2239333203563796e-18, 2.22242727432042e-18, 2.2197836828743197e-18, 2.21584232835468e-18, 2.2104429930981e-18, 2.20337739414216e-18, 2.1944692920571197e-18, 2.18341427328252e-18, 2.16992394602424e-18, 2.15361378789012e-18, 2.13408325472166e-18, 2.110867715295e-18, 2.08367877781602e-18, 2.0498888726049598e-18, 2.00233627010784e-18, 1.93764037762692e-18, 1.85121896998896e-18, 1.7351893381546797e-18, 1.575534038753214e-18, 1.349263439263296e-18, 1.023111546233184e-18, 5.522766944463359e-19, -1.212088280213484e-19, -1.074041537074776e-18, -2.4329693057943596e-18, -4.44477443980914e-18, -7.537984714708559e-18, -1.2396409117883819e-17, -2.02656118081392e-17, -3.40690043807028e-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: 0.04258131670783482
Energy: 0.04403746299895052
Energy: 0.25995333425624734
Energy: 0.2575629374914868
Energy: 0.25838761353932316
Energy: 0.04333877576187699
Energy: 0.04403746299895052
Energy: 1.2878967749268142
Energy: 0.2569604403519955
Energy: 0.2593422348777244
Energy: 0.25994965517511653
Energy: 0.2588207139817342
Energy: 0.25995333425624734
Energy: 0.2569604403519955
Energy: 1.2899149286636644
Energy: 0.043585665422746216
Energy: 0.2569564964148826
Energy: 0.2574345668587934
Energy: 0.25756293748660997
Energy: 0.2593422348777244
Energy: 0.043585665422746216
Energy: 0.042876276885582945
Energy: 0.2572611745675139
Energy: 0.25697038159213514
Energy: 0.25838761353932316
Energy: 0.25994965517511653
Energy: 0.2569564964148826
Energy: 0.2572611745675139
Energy: 1.2873177121635155
Energy: 0.2578229465370388
Energy: 0.04333877575700014
Energy: 0.2588207139817342
Energy: 0.257410658517511
Energy: 0.25697038159213514
Energy: 0.2578229465370388
Energy: 0.04339465662124369

minimum gb energy = 0.04258131670783482 eV
minimum distance =  2.47897202538562 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.3120035416297045
Energy: 1.6125811130185674
Energy: 1.6530689490773653
Energy: 1.5785755468031515
Energy: 1.5754809838977026
Energy: 1.6113773722198377
Energy: 1.6558573880664438
Energy: 1.6456834878298565
Energy: 1.5277348784800857
Energy: 1.5404968725588761
Energy: 1.5277180553351624
Energy: 1.6468902623268207
Energy: 1.5411899260727644
Energy: 1.5253894081931267
Energy: 1.525012895488266
Energy: 1.560263973437159
Energy: 1.524577788649599
Energy: 1.5301102162429792
Energy: 1.526485462870533
Energy: 1.5243003951305207
Energy: 1.7130216296168275
Energy: 1.8140053270250187
Energy: 1.5247005655121477
Energy: 1.5295161171450686
Energy: 1.5576545729072928
Energy: 1.535439373603827
Energy: 1.6466533302363129
Energy: 1.674907453765583
Energy: 1.6457884262282716
Energy: 1.5606786363432643
Energy: 1.5678058576897171
Energy: 1.6326097619295905
Energy: 1.73546572443639
Energy: 1.539827242805365
Energy: 1.633502865533611
Energy: 1.6332618564832044
Energy: 1.56802939800337
Energy: 1.6318779861210442
Energy: 1.6316110495060152
Energy: 1.7422689873507722
Energy: 1.6399873706450063
Energy: 1.6429790036460115
Energy: 1.660400459263883
Energy: 1.6605337216352278
Energy: 1.6716253089641009
Energy: 1.6753552509503153
Energy: 1.7400579567798282
Energy: 1.6604888419526593
Energy: 1.4159496097852935
Energy: 1.6299985811476883
Energy: 1.705601877185406
Energy: 1.5347406626028353
Energy: 1.6334759775753025
Energy: 1.7110976568770713
Energy: 1.4177649356576105
Energy: 1.6312267969872416
Energy: 1.7062387407754869
Energy: 1.6089529038752837
Energy: 1.6308249599953446
Energy: 1.8019863049507376
Energy: 1.6610000366146385
Energy: 1.6610527251865415
Energy: 1.6468363535776736
Energy: 1.6559034927123786
Energy: 1.6441962300295159
Energy: 1.6614770011755402
Energy: 1.528630815455683
Energy: 1.5281068502916972
Energy: 1.6036053522576004
Energy: 1.664903364816729
Energy: 1.5248551742458352
Energy: 1.5296265854339657
Energy: 1.541234450144235
Energy: 1.528142042100568
Energy: 1.6030471253515912
Energy: 1.6531592021889452
Energy: 1.5264839005000521
Energy: 1.6034356911875733
Energy: 1.6707353606425694
Energy: 1.6476774485367047
Energy: 1.5353777032453644
Energy: 1.5446218344398737
Energy: 1.6454377080201863
Energy: 1.6460990106323354
Energy: 1.5626721604414555
Energy: 1.524388812058223
Energy: 1.5235741050596627
Energy: 1.6111762097409934
Energy: 1.5240801264671306
Energy: 1.6326772171050277
Energy: 1.4594666464518593
Energy: 1.5247730892418239
Energy: 1.526431128550136
Energy: 1.5307455080024277
Energy: 1.5243740160802506
Energy: 1.6698323704932696
Energy: 1.6746450714209535
Energy: 1.651912947556527
Energy: 1.6640044533735407
Energy: 1.6632682356804278
Energy: 1.6354558866515843
Energy: 1.5285795121862056
Energy: 1.5351586890006554
Energy: 1.6372656495561244
Energy: 1.636050118445266
Energy: 1.6311329765249174
Energy: 1.637980197843056
Energy: 1.7964706974747056
Energy: 1.5386633376788594
Energy: 1.6379490653385549
Energy: 1.7134721944775022
Energy: 1.5614813414070667
Energy: 1.6364359054232815
Energy: 1.7449514737732699
Energy: 1.6628053918064145
Energy: 1.6316915625078179
Energy: 1.660898660301044
Energy: 1.66056510707094
Energy: 1.637737857775175
Energy: 1.8075928855840544
Energy: 1.53899045375772
Energy: 1.6310701209025436
Energy: 1.7917916743306086
Energy: 1.6357863191187376
Energy: 1.6306442349475065
Energy: 1.7069675816546896
Energy: 1.6572111307888495
Energy: 1.7049167318986072
Energy: 1.7107566327277182
Energy: 1.5439016874902436
Energy: 1.6302316836115653
Energy: 1.6529532040730273
Energy: 1.6578812967879395
Energy: 1.673274705815668
Energy: 1.6127180057572157
Energy: 1.530983478989997
Energy: 1.527907432681577
Energy: 1.6439046364046652

minimum gb energy = 1.4159496097852935 eV
minimum distance =  2.19893698451302 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 3.0429376404519504
Energy: 1.5947593606462105
Energy: 1.6442859657132851
Energy: 1.6014012852998978
Energy: 1.6159195478315294
Energy: 1.7181163009224858
Energy: 1.8089512671222963
Energy: 1.7682065804153428
Energy: 1.5532778517356638
Energy: 1.5792042088497968
Energy: 1.5544389715085
Energy: 1.7058988012244614
Energy: 1.7915358323651285
Energy: 1.6815065633691635
Energy: 1.6708891127102115
Energy: 1.7313729033845888
Energy: 1.6692035827087262
Energy: 1.7708716462357736
Energy: 1.6874283723957268
Energy: 1.6623129534864893
Energy: 1.6690352600969054
Energy: 1.8661959655320377
Energy: 1.6696705510041423
Energy: 1.6755177201609421
Energy: 1.708022417903312
Energy: 1.7365378478395213
Energy: 1.6972218482103962
Energy: 1.8089271258604138
Energy: 1.926167675443837
Energy: 1.7392182702032057
Energy: 1.5701153026283576
Energy: 1.8727348320610238
Energy: 1.87404590596018
Energy: 1.5899433881240823
Energy: 1.73668006590269
Energy: 1.804011329370915
Energy: 1.7109338065970014
Energy: 1.8280177041513332
Energy: 1.7338568519964344
Energy: 1.911133830746884
Energy: 1.732937375098655
Energy: 1.7711154803390659
Energy: 1.7955936237061372
Energy: 1.6830222258559966
Energy: 1.6586955366240765
Energy: 1.7051237510856658
Energy: 1.8375919034881552
Energy: 1.6974773290669898
Energy: 1.7583825859746665
Energy: 1.6616002004935426
Energy: 1.6650543168367442
Energy: 1.6931042983088178
Energy: 1.6591751244613921
Energy: 1.9357674396451305
Energy: 1.700272095372208
Energy: 1.6645702776830753
Energy: 1.7363733347304737
Energy: 1.7503481437378923
Energy: 1.6593330214215967
Energy: 1.6830973010454886
Energy: 1.5918286133778408
Energy: 1.7303724292617386
Energy: 1.6610845944473895
Energy: 1.7527536612681032
Energy: 1.6740961414933146
Energy: 1.567876727318726
Energy: 1.5804851035720673
Energy: 1.5644566430815805
Energy: 1.5537730319652487
Energy: 1.6995701755729289
Energy: 1.5525541197073058
Energy: 1.5826449659673965
Energy: 1.5436276814140355
Energy: 1.5518324303411866
Energy: 1.5507215468122737
Energy: 1.6198982374935564
Energy: 1.552737293751425
Energy: 1.5384013057650732
Energy: 1.5730602377985219
Energy: 1.7554348313562662
Energy: 1.688488098127728
Energy: 1.7875915942671026
Energy: 1.6709074181992887
Energy: 1.6182273960184506
Energy: 1.746230998119095
Energy: 1.7248567054548654
Energy: 1.8130003300720734
Energy: 1.7502157864681736
Energy: 1.734415760950916
Energy: 1.78262668923659
Energy: 1.74221624551229
Energy: 1.7358505450494093
Energy: 1.7845166390208644
Energy: 1.7954133874544314
Energy: 1.755205627457283
Energy: 1.9375641026313626
Energy: 1.7738909047442808
Energy: 1.7271209218199126
Energy: 1.6727708416069489
Energy: 1.629851506058747
Energy: 1.85972968421584
Energy: 1.7266049596863409
Energy: 1.6762394073328584
Energy: 1.7391551519814106
Energy: 1.703883181199569
Energy: 1.8433636841224728
Energy: 1.7039946796985386
Energy: 1.76536951137075
Energy: 1.6126908428095261
Energy: 1.738426515307173
Energy: 1.86139852029291
Energy: 1.6894025303799867
Energy: 1.7026570106380043
Energy: 1.7361926714290201
Energy: 1.6127426926484199
Energy: 1.606719760481164
Energy: 1.6053386273045553
Energy: 1.8962976190422502
Energy: 2.0075039672328243
Energy: 1.6064509248767718
Energy: 1.6038488124866825
Energy: 1.60817120808769
Energy: 1.613055318825128
Energy: 1.8546426408044367
Energy: 1.609713336794438
Energy: 1.6140289784109938
Energy: 1.6680784657046
Energy: 1.6063980792216945
Energy: 1.612334203122668
Energy: 1.6058686574748757
Energy: 1.609097079728894
Energy: 1.6660148670734274
Energy: 1.8614017356269281
Energy: 1.6470705893782311
Energy: 1.6069927839897706
Energy: 1.6822228300637896
Energy: 1.64902055742871
Energy: 1.6836734099463229
Energy: 1.6498661675779374
Energy: 1.6474100448998148
Energy: 1.7669347346050719
Energy: 1.684135169344128
Energy: 1.6618351785509622
Energy: 1.7257414667376876
Energy: 1.860940955748084
Energy: 2.008486685430403
Energy: 1.7560493250624245
Energy: 1.6084110213988216
Energy: 1.6620111418475079
Energy: 1.6658232603336327
Energy: 1.7874101051116738
Energy: 1.7782093039148403
Energy: 1.7620232161970382
Energy: 1.5704420112773407
Energy: 1.8207546156870031
Energy: 1.7170462520595047
Energy: 1.8228712117236503
Energy: 1.7581893513731117
Energy: 1.8681318710102919
Energy: 1.8461672403938074
Energy: 1.7745386914054506
Energy: 1.9007567632433544
Energy: 1.7344585338336802
Energy: 1.8327103534658844
Energy: 1.7060813848541323
Energy: 1.797663190727166
Energy: 1.7311684807921222
Energy: 1.8922266048984013
Energy: 1.6996795105104627
Energy: 1.6646791265184648
Energy: 1.9310506953725644
Energy: 1.7841092945324994
Energy: 1.6601113684846938
Energy: 1.7483693678098322
Energy: 1.7453422666514589
Energy: 1.7196401229886717
Energy: 1.691337889574441
Energy: 1.8098746167183057
Energy: 1.6617563847631682
Energy: 1.7953592537832916
Energy: 1.7728520059129496
Energy: 1.6612426680282752
Energy: 1.7016051182112617
Energy: 1.5743130604495612
Energy: 1.661781427752238
Energy: 1.7247919792794317
Energy: 1.864649417037816
Energy: 1.5529617133863398
Energy: 1.5627312281332095
Energy: 1.5817698299813832
Energy: 1.5501145948217536
Energy: 2.088853934489412
Energy: 1.58049780156281
Energy: 1.5519933491276094
Energy: 1.5426397437797927
Energy: 1.5401365701758072
Energy: 1.5501247402832505
Energy: 1.6343286559043522
Energy: 1.8439623801468885
Energy: 1.66028837697233
Energy: 1.565956694602896
Energy: 1.5391779900829023
Energy: 1.57376278321411
Energy: 1.8033560450007164
Energy: 1.7152576521797058
Energy: 1.8186028538177617
Energy: 1.7457622556546895
Energy: 1.749662423458746
Energy: 1.7720621201029432
Energy: 1.8662814506655723
Energy: 1.714128797624588
Energy: 1.7319920049894133
Energy: 1.7683003157237853
Energy: 1.587142213776498
Energy: 1.7711163855374692
Energy: 1.789503418996272
Energy: 1.8255311737622308
Energy: 1.8436336169859522
Energy: 1.7214996953372996
Energy: 1.7450232093629565
Energy: 1.7159173136821553
Energy: 1.787783038707141
Energy: 1.7101101942429588
Energy: 1.7252758886314388
Energy: 1.7635946624043952
Energy: 1.528394203280197
Energy: 1.7637021210805406
Energy: 1.8425421278024936
Energy: 1.7117587282232622
Energy: 1.7881233311268463
Energy: 1.7237116824002972
Energy: 1.571834994548115
Energy: 1.7246219716083215
Energy: 1.8843352798381106
Energy: 1.9072376467392245
Energy: 1.6641538669546898
Energy: 1.5427334839823557
Energy: 1.5387198231305057
Energy: 1.647120159515027
Energy: 1.6843461909139859
Energy: 1.5164795280154673
Energy: 1.5538249732204126
Energy: 1.5518995552801835
Energy: 1.5407402080884534
Energy: 1.5538233839356277
Energy: 1.702256067603933

minimum gb energy = 1.5164795280154673 eV
minimum distance =  2.19533789838815 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.7332213042856415
Energy: 1.742373875414354
Energy: 1.7509829215175314
Energy: 1.695415618844094
Energy: 1.7068186051872876
Energy: 1.74916984422214
Energy: 1.5137860764580042
Energy: 1.7664658538559412
Energy: 1.6337205877862884
Energy: 1.7546837232235466
Energy: 1.6333704431031142
Energy: 1.6384865892502143
Energy: 1.7560281300429967
Energy: 1.6326969085864187
Energy: 1.635164852186312
Energy: 1.8258071577003419
Energy: 1.6346336019207672
Energy: 1.6363271307236695
Energy: 1.6918867926989953
Energy: 1.6335051999016117
Energy: 1.634652394276863
Energy: 1.682986215592995
Energy: 1.6342023965599473
Energy: 1.6340606615053868
Energy: 1.6948571754924089
Energy: 1.6352844131095892
Energy: 1.6683809134172967
Energy: 1.7937857424401882
Energy: 1.8050250647638357
Energy: 1.6337757199937128
Energy: 1.801333064512631
Energy: 1.7868056531529701
Energy: 1.7928865584452527
Energy: 1.7333414285928994
Energy: 1.758754387711427
Energy: 1.7838681284417883
Energy: 1.7978898625408217
Energy: 1.803503435608888
Energy: 1.7701755007848783
Energy: 1.8882033828210567
Energy: 1.7691023550222569
Energy: 1.7811967786467708
Energy: 1.9006876042727234
Energy: 1.635855823231521
Energy: 1.7467626532485414
Energy: 1.7565953309361009
Energy: 1.8858573091103956
Energy: 1.6363319522451905
Energy: 1.5097681964782241
Energy: 1.63612334058707
Energy: 1.635545502079276
Energy: 1.6898758309602353
Energy: 1.6352509258072447
Energy: 1.7949669769309828
Energy: 1.4873927304014019
Energy: 1.638564520870796
Energy: 1.7455309772152878
Energy: 1.7301088319870304
Energy: 1.6347461254869344
Energy: 1.7941201075008075
Energy: 1.7497881241097248
Energy: 1.6360000675888144
Energy: 1.6338871271688105
Energy: 1.7707801184147265
Energy: 1.6635603925223794
Energy: 1.6459926062784063
Energy: 1.7549053157373111
Energy: 1.634300753156517
Energy: 1.6339506974658182
Energy: 1.7538827532679768
Energy: 1.6305023430035457
Energy: 1.6338555450753312
Energy: 1.6923648638601878
Energy: 1.6330292813327554
Energy: 1.6349492182117311
Energy: 1.7699281411727172
Energy: 1.6338338634733913
Energy: 1.6334924779891222
Energy: 1.7620817430889348
Energy: 1.8647855146079348
Energy: 1.78779407065676
Energy: 1.918620479060928
Energy: 1.786698377862371
Energy: 1.8829511916470847
Energy: 1.7746616949604328
Energy: 1.7851454086154397
Energy: 1.8941487084923254
Energy: 1.9660585353035338
Energy: 1.7531330580663402
Energy: 1.7532675567155445
Energy: 1.74224958083158
Energy: 1.7506813125002383
Energy: 1.7513755220429283
Energy: 1.8935791246861877
Energy: 1.7530623507300178
Energy: 1.7510091837447759
Energy: 1.8987275853247216
Energy: 1.6663561257285227
Energy: 1.7578943260065556
Energy: 1.8817023493918121
Energy: 1.7537121104016105
Energy: 1.6662934341196507
Energy: 1.4851781621444038
Energy: 1.6365944811840216
Energy: 1.636483544886803
Energy: 1.6895207908826835
Energy: 1.6335387638697842
Energy: 1.7264453239549709

minimum gb energy = 1.4851781621444038 eV
minimum distance =  2.20682939729508 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.5436036208316537
Energy: 1.7736541476666061
Energy: 1.7899770214355486
Energy: 1.789403160428543
Energy: 1.6799491721133706
Energy: 1.7724503258963122
Energy: 1.7544313352131176
Energy: 1.9080881047494933
Energy: 1.6563626883858455
Energy: 1.6889381022880596
Energy: 1.7213108879502719
Energy: 1.81470248097128
Energy: 1.8853617247092453
Energy: 1.853445904997205
Energy: 1.9109736158346153
Energy: 1.7578409310241705
Energy: 1.849478478087546
Energy: 1.9030056136143658
Energy: 1.928724711805186
Energy: 1.8153463812360622
Energy: 1.8166689063256785
Energy: 1.8422171677190147
Energy: 1.816923875560295
Energy: 1.9327441107344014
Energy: 1.9028098676367184
Energy: 1.8237398922032344
Energy: 1.8191783646441613
Energy: 1.663241546839788
Energy: 1.9956227955711818
Energy: 1.9195387583010635
Energy: 1.9005312727485515
Energy: 1.872533067878047
Energy: 1.8195021526525685
Energy: 1.6643051328616132
Energy: 1.9081583949361416
Energy: 1.9038015962297599
Energy: 1.8946513055372036
Energy: 1.8612970394161723
Energy: 1.8763806477196623
Energy: 1.6611540646375127
Energy: 1.817321481841611
Energy: 1.8955582905210169
Energy: 1.8828404094569862
Energy: 1.853255293603197
Energy: 1.7209860622904891
Energy: 1.7582168693283458
Energy: 1.9083203592988507
Energy: 1.8951183443578727
Energy: 1.6838489792130609
Energy: 1.7204280712475848
Energy: 1.6570759959045291
Energy: 1.686954746461528
Energy: 1.6561587987919684
Energy: 1.8132600199389908
Energy: 1.68709934699087
Energy: 1.658307670691519
Energy: 1.6560221859421622
Energy: 1.6602901452261438
Energy: 1.6569434436989243
Energy: 1.8583504044690247
Energy: 1.7970141799276003
Energy: 1.8773416020165656
Energy: 1.7219812282917824
Energy: 1.7037623016678953
Energy: 1.7226228319286596
Energy: 1.935913612459458
Energy: 1.8049376134612598
Energy: 1.9413737689188155
Energy: 1.9115091167332265
Energy: 1.871443911065139
Energy: 1.8700500221282708
Energy: 1.879565803811118
Energy: 2.0231728062227843
Energy: 1.8751402783768465
Energy: 1.9477353139480176
Energy: 1.8724330240071054
Energy: 1.911254274047966
Energy: 1.9571924914053154
Energy: 1.746339073297485
Energy: 1.942712455769246
Energy: 1.9649637619427622
Energy: 1.7437045548153818
Energy: 1.8894116196012878
Energy: 1.8773493175056792
Energy: 1.6574601741963522
Energy: 1.6577687113957966
Energy: 1.8678513556979848
Energy: 1.8244155161654625
Energy: 1.7196315730805891
Energy: 1.7153791354630827
Energy: 1.6857523665632574
Energy: 1.690831056128638
Energy: 1.742097226776516
Energy: 1.541060942512676
Energy: 1.6581318330735257
Energy: 1.6919425711702005
Energy: 1.6896766436412864
Energy: 1.7235639575919022
Energy: 1.8185114173297299
Energy: 1.8290084556845974
Energy: 1.8800266948596296
Energy: 1.657026592669768
Energy: 1.843379827071617
Energy: 1.81518440688975
Energy: 1.901926066763745
Energy: 1.8832489077756664
Energy: 1.8151417837032011
Energy: 1.8492129489904532
Energy: 1.7517256783645567
Energy: 1.8262892206442143
Energy: 1.806877839444954
Energy: 1.9034686787715562
Energy: 1.8100428838532288
Energy: 1.8808193339625532
Energy: 1.6638121829077184
Energy: 1.764623030888812
Energy: 1.8665667028607222
Energy: 1.8530680155756019
Energy: 1.9198637662155664
Energy: 1.669301762219886
Energy: 1.659080187667172
Energy: 1.8153402405524246
Energy: 1.8773954012235998
Energy: 1.903174407141184
Energy: 1.8167232956817343
Energy: 1.8937390590920733
Energy: 1.5413792100051078
Energy: 1.815873657156303
Energy: 1.8524525166209145
Energy: 1.9252899952395715
Energy: 1.8507297842234647
Energy: 1.938726404053481
Energy: 1.687956779168127
Energy: 1.722108097812751
Energy: 1.8546705789410218
Energy: 1.7961898392416666
Energy: 1.8772258654041696
Energy: 1.7219384429649003
Energy: 1.6838217376742568
Energy: 1.6557253906632723
Energy: 1.8540854656824384
Energy: 1.685561453157709
Energy: 1.6585616192728236
Energy: 1.6915874000747444
Energy: 1.6580033693729523
Energy: 1.6575769982562116
Energy: 1.6558625478597935
Energy: 1.7531389153380397
Energy: 1.6586181451241786
Energy: 1.657790739514542
Energy: 1.7120422715292465
Energy: 1.7222523361425919
Energy: 1.8544132502666977
Energy: 1.798552873450174
Energy: 1.8819185617574274
Energy: 1.7707738753148954
Energy: 1.8576248103662685
Energy: 1.8689141871105326
Energy: 1.9483023180212935
Energy: 1.8736652436163987
Energy: 1.9397748541840887
Energy: 1.9190752303040055
Energy: 1.804152696495876
Energy: 1.948597752192871
Energy: 1.9089835175404868
Energy: 2.0162670258073785
Energy: 1.8703412969912683
Energy: 1.8994494276132308
Energy: 1.7502925621532344
Energy: 1.8781381056745
Energy: 1.7710221664491501
Energy: 1.6621177150368975
Energy: 1.8246592999441031
Energy: 1.960324285981863
Energy: 1.5400132392876489
Energy: 1.6597118723831663
Energy: 1.658286144180095
Energy: 1.6589944449732592
Energy: 1.6585353732497434
Energy: 1.744261969519247

minimum gb energy = 1.5400132392876489 eV
minimum distance =  2.20711763508001 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 2.5153478788885963
Energy: 1.894482820656956
Energy: 2.001490468094989
Energy: 1.770766396577533
Energy: 1.922473056630802
Energy: 2.003415167370626
Energy: 1.7914735699408373
Energy: 2.1647088865688806
Energy: 1.9093444202759138
Energy: 1.6634637633053306
Energy: 1.8531864865857128
Energy: 1.998470897532272
Energy: 2.1122087369634888
Energy: 1.9494691605527168
Energy: 1.9330940870371836
Energy: 1.5163204661357468
Energy: 1.9288989030728403
Energy: 1.9528924265352572
Energy: 1.6984547779528827
Energy: 1.937400039965686
Energy: 1.9329792953329743
Energy: 1.515759343332781
Energy: 1.9266950909056637
Energy: 1.935550365088104
Energy: 2.10067246027287
Energy: 1.940846904283978
Energy: 1.7782277380801286
Energy: 1.5300011662537434
Energy: 1.70548518847364
Energy: 1.936236301458375
Energy: 2.042002180436218
Energy: 1.802897175587837
Energy: 1.9674507567443502
Energy: 1.5161191352188617
Energy: 1.803274410794232
Energy: 1.8946132319894606
Energy: 1.9628750320360622
Energy: 1.8081160285083415
Energy: 1.8041782664393853
Energy: 2.109437566361202
Energy: 1.8098759777199647
Energy: 1.891006087850219
Energy: 1.9571664827310846
Energy: 1.899085837452574
Energy: 1.9678500121859577
Energy: 1.5161430927259028
Energy: 1.8879335129463846
Energy: 1.9007793772128747
Energy: 2.0887083422238426
Energy: 1.953870157687437
Energy: 1.5221073774179648
Energy: 1.5305082027670183
Energy: 1.5150096020281396
Energy: 2.0439711346487837
Energy: 1.7192706066127925
Energy: 1.9581785953524555
Energy: 1.898917915493587
Energy: 1.7023141880282777
Energy: 1.8983497945656063
Energy: 1.9520401632744784
Energy: 2.1106227518720124
Energy: 2.0688533751998492
Energy: 1.90203539201386
Energy: 1.5310059939802645
Energy: 2.104451861470988
Energy: 2.1621255724395807
Energy: 1.7907376034905325
Energy: 2.1650335413384907
Energy: 1.9155014648665702
Energy: 1.701020683655372
Energy: 1.8476208661749518
Energy: 1.9976520928282337

minimum gb energy = 1.5150096020281396 eV
minimum distance =  2.19894043302426 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.9042979900752905
Energy: 1.7820904327679745
Energy: 1.7419106995699842
Energy: 1.7508531287267795
Energy: 1.7930403322140418
Energy: 2.099450525265806
Energy: 1.7639595541294852
Energy: 1.8877106830727721
Energy: 1.6813964420709748
Energy: 1.7282087300025233
Energy: 1.6870795275452801
Energy: 1.7706801227818076
Energy: 1.820923991780672
Energy: 2.0000977027471696
Energy: 2.048348720713706
Energy: 1.7249983345432167
Energy: 1.976073985245183
Energy: 1.8284208368888921
Energy: 1.5824993063356119
Energy: 1.948550131437018
Energy: 1.9439455026535937
Energy: 1.8565956691466186
Energy: 1.9267197145724355
Energy: 1.9677453164507672
Energy: 1.7285206678741696
Energy: 1.9636582862386263
Energy: 2.0012258637374796
Energy: 1.8219159600185042
Energy: 1.9545184614557964
Energy: 1.8105385196622061
Energy: 1.7263901182067354
Energy: 1.678254677554907
Energy: 2.018615981906645
Energy: 1.8140102500416213
Energy: 1.6834178529571
Energy: 1.685862222583361
Energy: 1.6410511553689058
Energy: 1.6909177412683247
Energy: 1.8215058307411884
Energy: 1.9620580247935278
Energy: 1.6758395670526876
Energy: 1.6372763044434282
Energy: 1.631929016961818
Energy: 1.6755327834052423
Energy: 2.019071686863417
Energy: 1.8155661405990777
Energy: 1.700687950518478
Energy: 1.6332326286214751
Energy: 1.6397433081465735
Energy: 1.9448442140208329
Energy: 1.9805311170672695
Energy: 1.822866338254674
Energy: 1.977116822933717
Energy: 1.756626695917422
Energy: 1.7100716710715742
Energy: 1.9059653784990127
Energy: 1.8912580945046154
Energy: 2.105508212383485
Energy: 1.8875674180519528
Energy: 1.9427157328186884
Energy: 1.7653467891523744
Energy: 1.9419882393990269
Energy: 1.8886142459690847
Energy: 1.8521820561924103
Energy: 1.8885251126702765
Energy: 1.6762232582747312
Energy: 1.7639711692589313
Energy: 1.90171154846437
Energy: 1.8170604610147834
Energy: 1.8123992428164892
Energy: 1.81064101609243
Energy: 1.7588878718675276
Energy: 1.8101567036455868
Energy: 1.8399447064089487
Energy: 1.7996630526063893
Energy: 1.6865153532218118
Energy: 1.8434778323481795
Energy: 1.9428389533081603
Energy: 1.764599677714915
Energy: 1.9583220266463344
Energy: 1.781332985195476
Energy: 1.7367400751008537
Energy: 1.8039877551917223
Energy: 1.8743930506719992
Energy: 1.7639221858984444
Energy: 2.045075672561485
Energy: 1.7940010751877327
Energy: 1.7096701022918979
Energy: 1.8321449791605957
Energy: 1.9189576857229014
Energy: 1.866966428503861
Energy: 1.8086317078471883
Energy: 1.8329083631953738
Energy: 1.7396744944108125
Energy: 1.8051457090466632
Energy: 1.8527098892574319
Energy: 1.7539834561107879
Energy: 1.8134128332935446
Energy: 1.8789876022526115
Energy: 1.8060110867951795
Energy: 1.811283617522481
Energy: 1.8511353202633285
Energy: 1.7565461355399408
Energy: 1.9312763172097709
Energy: 1.939201444479357
Energy: 1.8137253781632838
Energy: 1.8967805640774942
Energy: 1.6750742875332938
Energy: 1.638096089590613
Energy: 1.9261934391274185
Energy: 1.9519182819699372
Energy: 1.8768220429321962
Energy: 1.903178495310225
Energy: 1.942686558257634
Energy: 1.7115507459201034
Energy: 1.905609371690361
Energy: 1.9854048162944111
Energy: 1.8164687640435473
Energy: 1.8852965118288445
Energy: 1.9277904721101953
Energy: 1.6411872662507316
Energy: 1.6340563447831415
Energy: 2.002002749315131
Energy: 1.8121121923801364
Energy: 2.0058574595787526
Energy: 1.63371716849914
Energy: 1.6399595843157517
Energy: 1.679198299731451
Energy: 1.7618288704731455
Energy: 1.7668571580816748
Energy: 1.6770902062467503
Energy: 1.6326287542734401
Energy: 1.7190053997362156
Energy: 1.6773187175798725
Energy: 1.8696891436563494
Energy: 1.7531159735792272
Energy: 1.6819465016936614
Energy: 1.7204383240754597
Energy: 1.724126322824337
Energy: 2.0226218992568974
Energy: 2.0540674487443
Energy: 1.8122455529270138
Energy: 1.9353987449668648
Energy: 1.6776673704866722
Energy: 1.7252372119635515
Energy: 1.9772197804282676
Energy: 2.000171139344899
Energy: 1.7317097697388713
Energy: 1.9394811727418169
Energy: 2.0614283062545007
Energy: 1.8092430111107514
Energy: 1.9683840652373272
Energy: 1.9539404762696595
Energy: 1.5839356406295264
Energy: 1.9504292428586865
Energy: 2.0213264495451395
Energy: 1.809847546318387
Energy: 1.9218470987035476
Energy: 1.6773782167899651
Energy: 1.7287415232688323
Energy: 1.680259192697597
Energy: 1.77722813934519
Energy: 1.8207137970157072
Energy: 1.6796463091574938
Energy: 1.6760775389960003
Energy: 1.7138720409076247
Energy: 1.680146885318264
Energy: 1.8086747926723967
Energy: 1.7590650261692171
Energy: 1.6836068193483595
Energy: 1.6772156079016594
Energy: 1.6292169352527115
Energy: 1.6810883937877363
Energy: 1.804815753560153
Energy: 1.8090476914012592
Energy: 2.034835919553919
Energy: 1.6392037986712908
Energy: 1.6341750337867555
Energy: 1.962018178387725
Energy: 1.8893880295687469
Energy: 1.8546202776094454
Energy: 1.8986290376886663
Energy: 1.9175506909321143
Energy: 1.948393456144719
Energy: 1.889567282855399
Energy: 2.048546452674029
Energy: 1.8672826955848065
Energy: 1.8826250079931772
Energy: 1.9628516704903882
Energy: 1.6386077081554005
Energy: 1.9096805022811416
Energy: 2.0254299979151127
Energy: 1.8251047658641875
Energy: 1.8135682575801453
Energy: 1.7956146675087195
Energy: 1.7664142332496537
Energy: 1.8968335879769842
Energy: 1.7783627815666794
Energy: 1.8008833149685646
Energy: 1.8515035940476223
Energy: 1.811108177893893
Energy: 1.8022106492683383
Energy: 1.8112148961857588
Energy: 1.8979681706680758
Energy: 1.7529414346998664
Energy: 1.8120698110939883
Energy: 1.8103293824461173
Energy: 1.8073479513016164
Energy: 1.8108703681357219
Energy: 1.7738569420581638
Energy: 1.6836889665752541
Energy: 1.923350451690856
Energy: 2.0436664880104343
Energy: 1.7599205311708113
Energy: 2.031458754082527
Energy: 1.6876626057206066
Energy: 1.7584686363985493
Energy: 1.8176948823085197
Energy: 1.8062174714554133
Energy: 1.7542892251959388
Energy: 1.8089098913189914
Energy: 1.8211072931282832
Energy: 1.7714966416414952
Energy: 1.8431404272901832
Energy: 1.852174524137908
Energy: 2.08201144239588
Energy: 1.8127711621793183
Energy: 1.9089849485495904
Energy: 1.8194413567822905
Energy: 1.852236545697429
Energy: 1.9954662856006777
Energy: 1.7699260818263947
Energy: 1.8874272160947514
Energy: 1.7749620887898394
Energy: 1.7262743660722644
Energy: 1.886133492999899
Energy: 1.9731759662464154
Energy: 1.762555545586899
Energy: 1.9469690502970902
Energy: 1.8852328005260455
Energy: 1.8141442275298174
Energy: 1.8851732966736592
Energy: 1.9247375903032604
Energy: 1.7082315008607927
Energy: 1.8902902573871811
Energy: 1.8958527593095378
Energy: 1.8094794569297106
Energy: 1.9824505539195199
Energy: 1.7674652460770515
Energy: 1.6343531642454971
Energy: 1.9278151399284766
Energy: 1.9435109295646762
Energy: 1.7537449703208534
Energy: 1.6826034482371561
Energy: 1.6905246199375594
Energy: 1.6304967142838185
Energy: 1.6803435153444632
Energy: 2.034157438627614

minimum gb energy = 1.5824993063356119 eV
minimum distance =  2.19090589748339 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.8780406205842035
Energy: 2.1778100596270495
Energy: 1.4814906451650351
Energy: 1.4802382917998054
Energy: 1.6813809699502533
Energy: 2.1631146397654435
Energy: 2.117428612734141
Energy: 1.8353523915121845
Energy: 1.656021033862159
Energy: 1.466666017404446
Energy: 1.6566675758541187
Energy: 1.7964898707344235
Energy: 1.4718432125221188
Energy: 1.692808777809015
Energy: 1.8109077476459092
Energy: 1.4636217874430386
Energy: 1.8099790125864346
Energy: 1.6570627433669438
Energy: 1.4606178237860437
Energy: 1.8106826610273563
Energy: 1.810723780169597
Energy: 1.6996613057722392
Energy: 1.809045277643714
Energy: 1.4622336875183792
Energy: 1.461221402087794
Energy: 1.7012529102736582
Energy: 1.8099135942897986
Energy: 1.4762314122955467
Energy: 1.810050624529273
Energy: 1.7018686448795954
Energy: 1.460124673751504
Energy: 1.65363749052973
Energy: 1.825666517005981
Energy: 1.4681082225567132
Energy: 1.652180016703651
Energy: 1.6456378978874873
Energy: 1.4754050932959135
Energy: 1.6638984685621891
Energy: 1.6778298886336445
Energy: 1.7010999796432826
Energy: 1.6774768828422466
Energy: 1.4794024026402062
Energy: 1.4789343790837635
Energy: 1.6451779999808143
Energy: 1.8359980516356038
Energy: 1.6610096547501276
Energy: 1.649114536338248
Energy: 1.6419719258425698
Energy: 1.4788011694640275
Energy: 1.477241602048747
Energy: 1.8346092161951628
Energy: 1.4745354401811657
Energy: 1.8207277796094865
Energy: 1.4781803982157182
Energy: 1.4803193910161527
Energy: 1.6499039419925126
Energy: 1.792980559243742
Energy: 1.7914293464729558
Energy: 1.6481092087360953
Energy: 1.4783831184685157
Energy: 1.4650457825215282
Energy: 1.4655287060643833
Energy: 1.7956939434283739
Energy: 1.4502676957296368
Energy: 1.6445186196034218
Energy: 1.467625185189014
Energy: 1.4656667021757095
Energy: 1.8194479327113544
Energy: 1.8104320683562891
Energy: 1.4704825822863692
Energy: 1.8238072792521236
Energy: 1.6570281738978214
Energy: 1.4703987710895998
Energy: 1.8111937686616213
Energy: 1.6956528725612998
Energy: 1.6539540124503478
Energy: 1.8379523502872073
Energy: 1.8125867521648795
Energy: 1.4780192762550797
Energy: 1.8215060548903448
Energy: 1.7051145614553256
Energy: 1.7516079166418672
Energy: 1.8113146756508796
Energy: 1.6965565441163872
Energy: 1.4719473501599838
Energy: 1.816420564370572
Energy: 1.6508871731801533
Energy: 1.464317412336281
Energy: 1.6551324900815252
Energy: 1.6587222466667493
Energy: 1.7879165448123644
Energy: 1.650095136385896
Energy: 1.6582089246636877
Energy: 1.4637322642080375
Energy: 1.650730616844215
Energy: 1.6911739291992656
Energy: 1.7852277198275257
Energy: 1.6460004668544714
Energy: 1.647776418575452
Energy: 1.4803807263770499
Energy: 1.646023924563615
Energy: 1.6541085573472127
Energy: 1.4675895121849516
Energy: 1.8211588136776007
Energy: 1.4781704404067022
Energy: 1.4742370692966733
Energy: 1.6571544573653973
Energy: 1.807764822322145
Energy: 2.1166587277118447
Energy: 1.6566246313238
Energy: 1.650334151347195
Energy: 1.6110646855578081
Energy: 1.6519347061809369
Energy: 1.8230133946999627

minimum gb energy = 1.4502676957296368 eV
minimum distance =  2.18650068398688 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 2.204547214601762
Energy: 1.6700108156301006
Energy: 1.371076153542394
Energy: 1.5209911528064224
Energy: 1.6900798193638817
Energy: 1.6722451275755061
Energy: 2.1326733506386466
Energy: 1.7240063221587416
Energy: 1.5996716582520305
Energy: 1.591887166524003
Energy: 1.6562047733900545
Energy: 1.7666339558034623
Energy: 1.8419051581309431
Energy: 1.7184478753227008
Energy: 1.7600138585503262
Energy: 1.6367219376375506
Energy: 1.7126596608088998
Energy: 1.7750306617555514
Energy: 1.8308735553783366
Energy: 1.7130542631015735
Energy: 1.7592383738605202
Energy: 1.64189482975298
Energy: 1.7126389475543549
Energy: 1.8662138626702514
Energy: 1.829046513164722
Energy: 1.7250021750352138
Energy: 1.7288412417693202
Energy: 1.5921093875011223
Energy: 1.714889425884727
Energy: 1.8656579024772573
Energy: 1.8413536979855465
Energy: 1.7180192035203306
Energy: 1.81554005917611
Energy: 1.824334903747498
Energy: 1.7248014384989652
Energy: 1.8071655701048552
Energy: 1.6194285262451042
Energy: 1.5907222810330528
Energy: 1.7166262201449836
Energy: 1.6295031122205572
Energy: 1.7179407246834109
Energy: 1.5851395879877979
Energy: 1.3579613448410832
Energy: 1.7167456548288769
Energy: 1.7177841598846177
Energy: 1.8227243299579903
Energy: 1.7250118081101877
Energy: 1.6488166131481987
Energy: 1.6142237951954919
Energy: 1.534477392348788
Energy: 1.7245811460526554
Energy: 1.8816734950012282
Energy: 1.722273346302849
Energy: 1.5258555061583368
Energy: 1.6267951159335097
Energy: 1.5211806926707938
Energy: 1.5246680981519232
Energy: 1.7765818108770162
Energy: 1.5303888956096896
Energy: 1.5254498587109253
Energy: 1.3736273517003794
Energy: 1.5222367309264002
Energy: 1.5191961153991314
Energy: 1.8183019660658772
Energy: 1.5275101827846218
Energy: 1.5200219111609197
Energy: 1.3691258940526279
Energy: 1.5372562490621249
Energy: 1.7547521588576942
Energy: 1.83665583468162
Energy: 1.669509959579869
Energy: 1.3656119303380982
Energy: 1.3768195898191409
Energy: 1.523336628491372
Energy: 1.6962349451440288
Energy: 1.8175474943965373
Energy: 1.5259990993605974
Energy: 1.3726884993021296
Energy: 1.3669887823290277
Energy: 1.5987480518534287
Energy: 1.6575938413515818
Energy: 1.8039019564857024
Energy: 1.521712176213519
Energy: 1.596618979670573
Energy: 1.6046293495630377
Energy: 1.63312544308689
Energy: 1.7626672743995349
Energy: 1.8533730708551421
Energy: 1.726489107643416
Energy: 1.5989421596947146
Energy: 1.6225425357412817
Energy: 1.759337961210196
Energy: 1.8077978571862794
Energy: 1.8041753336648587
Energy: 1.7253858303742853
Energy: 1.7621328640807592
Energy: 1.6095793518086063
Energy: 1.7561323944090486
Energy: 1.8680135759110446
Energy: 1.835913561580229
Energy: 1.716885113891158
Energy: 1.6254937704264174
Energy: 1.8344740087323266
Energy: 1.7144182611517564
Energy: 1.7279368891369806
Energy: 1.8235841983534995
Energy: 1.7302060362109002
Energy: 1.727502039158348
Energy: 2.135921053530319
Energy: 1.7172945626038847
Energy: 1.8005456803680522
Energy: 1.8282636191479191
Energy: 1.7178992109611262
Energy: 1.82120736703378
Energy: 1.6045796492182314
Energy: 1.7160737536706985
Energy: 1.590616011101736
Energy: 1.6907385012508327
Energy: 1.7159928411291185
Energy: 1.7152136468807193
Energy: 1.8405743305557065
Energy: 1.7256607460555304
Energy: 1.6007804310182012
Energy: 1.3548979392315017
Energy: 1.714167694990889
Energy: 1.723760344553555
Energy: 1.8465428682191642
Energy: 1.7220098534454653
Energy: 1.537089163051854
Energy: 1.6003593003601269
Energy: 1.5311309114271516
Energy: 1.766577729565676
Energy: 2.1317586917708673
Energy: 1.5506632165348613
Energy: 1.5371681298765734
Energy: 1.3649001064034598
Energy: 1.5210273454271142
Energy: 1.7742150166558457
Energy: 2.123698591621534
Energy: 1.5226872545070802
Energy: 1.5297719356546267
Energy: 1.375433212054426
Energy: 1.555307982643528
Energy: 1.7685526386448995
Energy: 1.8428247882556106
Energy: 1.671142484218544
Energy: 1.3668361620022589
Energy: 1.3684281440891426
Energy: 1.5186514165103808
Energy: 1.761093755155734
Energy: 2.138515363274428
Energy: 1.5268462538387058
Energy: 1.3683972296013918
Energy: 1.371801133894308
Energy: 1.521342584536829
Energy: 1.6569067725661886

minimum gb energy = 1.3548979392315017 eV
minimum distance =  2.17631530646207 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.4083823621906557
Energy: 1.4901238403360897
Energy: 1.238917851621021
Energy: 1.4005414137204726
Energy: 1.3692979387170299
Energy: 1.589102131965872
Energy: 2.0567340764135538
Energy: 1.540472502692758
Energy: 1.3700242419414157
Energy: 1.4175468348110367
Energy: 1.4417691776433437
Energy: 1.5859454728622702
Energy: 2.1161264521562213
Energy: 1.5357748637832864
Energy: 1.5568114831520568
Energy: 1.443568212027922
Energy: 1.559093097295315
Energy: 1.6240792424455088
Energy: 2.0648472393982895
Energy: 1.53801982099663
Energy: 1.5572032014141943
Energy: 1.4429881320176858
Energy: 1.5362479041480572
Energy: 1.5814584931926825
Energy: 2.066097054422215
Energy: 1.5371978594902314
Energy: 1.5336661072273312
Energy: 1.5904790761669871
Energy: 1.5377764179086895
Energy: 1.5834730785462083
Energy: 2.12885864558655
Energy: 1.5892863294787796
Energy: 1.6736395463598812
Energy: 1.5969269519301048
Energy: 1.5906227678714802
Energy: 1.5887528031941374
Energy: 1.8584581467564862
Energy: 1.620917703885491
Energy: 1.5916773011413028
Energy: 1.6228002611586758
Energy: 1.5907228711869523
Energy: 1.6183857721960968
Energy: 1.5912058134828535
Energy: 1.6224261441240448
Energy: 1.5888062963920735
Energy: 1.5921144900388764
Energy: 1.598835582181108
Energy: 1.6268648496382896
Energy: 1.8555462330178496
Energy: 1.6745192116065224
Energy: 1.5893062701796794
Energy: 1.58612290892788
Energy: 1.591038847351933
Energy: 1.6244479294405336
Energy: 1.8787389850878835
Energy: 1.5918234653321528
Energy: 1.536567420178197
Energy: 1.6240307361282988
Energy: 1.535078644976568
Energy: 1.5897965958075715
Energy: 1.4264176348763444
Energy: 1.536283990886284
Energy: 1.5372176546320815
Energy: 1.6232718848538925
Energy: 1.5373941365574235
Energy: 1.4488642835633903
Energy: 1.423538962180519
Energy: 1.434550650875517
Energy: 1.5818321680108451
Energy: 1.5878921144966973
Energy: 1.5334926126657182
Energy: 1.4440809977666005
Energy: 1.4422649584618235
Energy: 1.359949895117927
Energy: 1.432321756575833
Energy: 1.5920156509946157
Energy: 1.3698591791987655
Energy: 1.3613400870057022
Energy: 1.2299777103697611
Energy: 1.3636717714455397
Energy: 1.5331171910002706
Energy: 1.5347542901698257
Energy: 1.3622984855029403
Energy: 1.2333082282869214
Energy: 1.2339548901809758
Energy: 1.3610642086939586
Energy: 1.5985435458458725
Energy: 1.5861947438942385
Energy: 1.5140055685609104
Energy: 1.3626189206663701
Energy: 1.237792731551323
Energy: 1.3590344580944493
Energy: 1.601050175854883
Energy: 1.5862243911204477
Energy: 1.5130606770491826
Energy: 1.234589744144183
Energy: 1.2303597436882785
Energy: 1.2347209422049352
Energy: 1.4774184382638995
Energy: 1.5817749987232868
Energy: 1.3615516172181954
Energy: 1.2328739212763344
Energy: 1.4066594243217456
Energy: 1.4120872384310121
Energy: 1.5025090853528735
Energy: 1.581002011100202
Energy: 1.3688272534173065
Energy: 1.4063682567527767
Energy: 1.4306306573567849
Energy: 1.5557103614084373
Energy: 1.5813539642177072
Energy: 1.5887043916441703
Energy: 1.5326746012237384
Energy: 1.4425455287832958
Energy: 1.4246034067277895
Energy: 1.560355321243211
Energy: 1.5386759084850574
Energy: 1.5858778097795991
Energy: 1.5365935315648889
Energy: 1.5574718742371618
Energy: 1.8595079357844138
Energy: 1.5356345172762544
Energy: 1.5804631445395654
Energy: 1.5889538325126782
Energy: 1.5341771368260444
Energy: 1.5398361721646714
Energy: 1.8630622433781419
Energy: 1.6587072224741395
Energy: 1.5897399351270434
Energy: 1.5866679769392396
Energy: 1.5907871924441905
Energy: 1.5702579553364286
Energy: 1.8356719262439847
Energy: 1.5896431326567397
Energy: 1.6283871462895552
Energy: 1.6230118308841401
Energy: 1.600723646785437
Energy: 1.6220603437230465
Energy: 1.834209964269977
Energy: 1.5898678770870573
Energy: 1.6200814746548424
Energy: 1.627349701557302
Energy: 1.5911986739231962
Energy: 1.6177938379925842
Energy: 2.101542759847663
Energy: 1.589323156269158
Energy: 1.6741671677436345
Energy: 1.6018648532267388
Energy: 1.6399438349293702
Energy: 1.588660249233791
Energy: 1.81518054952346
Energy: 1.5377158943426876
Energy: 1.5914421634467881
Energy: 1.5902879509103631
Energy: 1.5405865079711791
Energy: 1.542382136707681
Energy: 1.8198476409252853
Energy: 1.5370764323929196
Energy: 1.4355677164093414
Energy: 1.4758380334855044
Energy: 1.5354084072158511
Energy: 1.5371197831350096
Energy: 2.0913341599759927
Energy: 1.5990837216116214
Energy: 1.4489581891939263
Energy: 1.443577941951826
Energy: 1.534788289483171
Energy: 1.5948113946434836
Energy: 2.1122983262118793
Energy: 1.5385111965695266
Energy: 1.3686818537769023
Energy: 1.4204807031054034
Energy: 1.3713604422781467
Energy: 1.5857213927727707
Energy: 2.3136369554731493
Energy: 1.3645987983429866
Energy: 1.3652989593461362
Energy: 1.2317525429311007
Energy: 1.3639757484275308
Energy: 1.532702988193573
Energy: 2.095445279686583
Energy: 1.3706025587448758
Energy: 1.3650318192440587
Energy: 1.2448939527054699
Energy: 1.3698397230490593
Energy: 1.5865664490315066
Energy: 2.091328689496749
Energy: 1.48381048615125
Energy: 1.23235390389498
Energy: 1.233045220332518
Energy: 1.4841797655619975
Energy: 1.5846950588622484
Energy: 2.0474087601930235
Energy: 1.360782583005935
Energy: 1.2355083668317435
Energy: 1.2350675163989404
Energy: 1.359931740896754
Energy: 1.4793936341790754

minimum gb energy = 1.2299777103697611 eV
minimum distance =  2.17572712389773 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 2.266335380119652
Energy: 1.3135283931516455
Energy: 1.1058743756401956
Energy: 1.2833640718126704
Energy: 1.2024632386134688
Energy: 1.378185699410556
Energy: 2.4390769250782585
Energy: 1.377795649872675
Energy: 1.2342655728639376
Energy: 1.2282642873193008
Energy: 1.2510853171042808
Energy: 1.3757163191469681
Energy: 2.4340813453667285
Energy: 1.3731252997417773
Energy: 1.3388221533847409
Energy: 1.2499976503230654
Energy: 1.3453074453713052
Energy: 1.3885228032368904
Energy: 2.0083842292545553
Energy: 1.3516103896364335
Energy: 1.3422932169447188
Energy: 1.2445351583641708
Energy: 1.326528719913373
Energy: 1.3679437818241644
Energy: 2.0071632477054737
Energy: 1.3322035193903805
Energy: 1.3629832863191065
Energy: 1.4696129895765526
Energy: 1.3416641427558793
Energy: 1.3685955595209123
Energy: 2.445773937651112
Energy: 1.3891300028456324
Energy: 1.4275915788235503
Energy: 1.4712483801789786
Energy: 1.3943592397785347
Energy: 1.3896321830052845
Energy: 2.241495594742944
Energy: 1.4240614004727328
Energy: 1.4189136926100596
Energy: 1.4263297341333625
Energy: 1.3952169188631158
Energy: 1.4387682147817626
Energy: 1.884525056142001
Energy: 1.389997001343236
Energy: 1.3944017657597367
Energy: 1.3887192871983696
Energy: 1.3935079691168775
Energy: 1.3988980315588733
Energy: 2.2690366237965454
Energy: 1.4417173395741507
Energy: 1.4419010724308294
Energy: 1.388684925086242
Energy: 1.4260845581988963
Energy: 1.4056642091187754
Energy: 2.253919014211076
Energy: 1.4098467372628196
Energy: 1.4153729243577826
Energy: 1.436278907446212
Energy: 1.4068144279507508
Energy: 1.4036739677438925
Energy: 1.6677877025954286
Energy: 1.414473358725839
Energy: 1.4172329431946378
Energy: 1.4754689334393296
Energy: 1.4088048114148333
Energy: 1.4155773179416984
Energy: 1.662909785913951
Energy: 1.4100087040879081
Energy: 1.4026121284424458
Energy: 1.4043609876728067
Energy: 1.4067617820537481
Energy: 1.407686641993226
Energy: 1.8700377402960424
Energy: 1.3933712231814301
Energy: 1.450695789583831
Energy: 1.4494845990236789
Energy: 1.388133644516499
Energy: 1.3958942926018956
Energy: 1.6418667402485185
Energy: 1.3907316726696184
Energy: 1.3875316953213066
Energy: 1.4352048848199166
Energy: 1.3891605624312016
Energy: 1.4113198789284314
Energy: 1.5194332728936506
Energy: 1.4082663382160705
Energy: 1.4489554395207376
Energy: 1.407757738353892
Energy: 1.420494473854496
Energy: 1.4010905480914613
Energy: 1.58051228039963
Energy: 1.4196573526121157
Energy: 1.3916304995023552
Energy: 1.3906908742038333
Energy: 1.38959196302611
Energy: 1.423444690444528
Energy: 1.527595886581754
Energy: 1.364443161782455
Energy: 1.385927254072389
Energy: 1.3864734760748865
Energy: 1.3295012620478244
Energy: 1.363379181698705
Energy: 1.3165761871950494
Energy: 1.3397224638307765
Energy: 1.3972337979277747
Energy: 1.4084638504204134
Energy: 1.3286645257901817
Energy: 1.2665125074138635
Energy: 1.2764979326500052
Energy: 1.246563699499096
Energy: 1.3725105784433613
Energy: 1.3881880913406368
Energy: 1.3293174768909441
Energy: 1.2522545044514737
Energy: 1.2443547927798193
Energy: 1.1915015178148907
Energy: 1.2429074505500395
Energy: 1.3930667352034112
Energy: 1.1943571603801224
Energy: 1.2196078277171671
Energy: 1.0999198415059381
Energy: 1.2210675125729376
Energy: 1.334099177784702
Energy: 1.3877165531431326
Energy: 1.20141908044935
Energy: 1.1022209545502666
Energy: 1.1086609328001071
Energy: 1.2126141472661116
Energy: 1.3724226886942625
Energy: 1.370638298241538
Energy: 1.2794479045934923
Energy: 1.1023394738128396
Energy: 1.1150418873226875
Energy: 1.2203143103437506
Energy: 1.3711767344038797
Energy: 1.3810648091807916
Energy: 1.2856003043406583
Energy: 1.1029929452459921
Energy: 1.1022877266583506
Energy: 1.1032491975761496
Energy: 1.3707512445552306
Energy: 1.370751704053594
Energy: 1.2026940141636935
Energy: 1.1011751934330791
Energy: 1.223917811677997
Energy: 1.2648065365846037
Energy: 1.376129043450542
Energy: 1.413943268489642
Energy: 1.2351349914267051
Energy: 1.2182197063075777
Energy: 1.2869156556809853
Energy: 1.3508880506868495
Energy: 1.3695057638341974
Energy: 1.3921477282644752
Energy: 1.3332969120438356
Energy: 1.2489825885938524
Energy: 1.309400175739227
Energy: 1.3315643417523895
Energy: 1.332233788377846
Energy: 1.4347660396935595
Energy: 1.3305211607689003
Energy: 1.25253436636886
Energy: 1.501191760335005
Energy: 1.337569634884762
Energy: 1.367616521302625
Energy: 1.4007078455515884
Energy: 1.3282557020920356
Energy: 1.3612132753057136
Energy: 1.578406448153681
Energy: 1.4196783036099823
Energy: 1.3910129363557213
Energy: 1.4040168638408879
Energy: 1.3889454936529617
Energy: 1.4225473566404845
Energy: 1.705709477517517
Energy: 1.3961974601388414
Energy: 1.4251572721734114
Energy: 1.411382765617198
Energy: 1.427318669340032
Energy: 1.432362260021865
Energy: 1.5699793790498338
Energy: 1.3960557535304274
Energy: 1.3997155338883684
Energy: 1.4617774207432215
Energy: 1.3880165727954605
Energy: 1.4301768482133304
Energy: 1.8788648284552185
Energy: 1.3983833162892032
Energy: 1.4471810290802305
Energy: 1.4047619825806692
Energy: 1.4334958227723804
Energy: 1.3923105839045105
Energy: 1.8406330006608151
Energy: 1.4120309351408233
Energy: 1.4027270912602365
Energy: 1.4040015833542654
Energy: 1.4069188152016292
Energy: 1.4066119805275923
Energy: 1.8433374182656705
Energy: 1.4133034487542548
Energy: 1.4023827057673115
Energy: 1.459914070168607
Energy: 1.4073571363811401
Energy: 1.4032176301100503
Energy: 2.2490862953511104
Energy: 1.410680941339457
Energy: 1.4136000976164276
Energy: 1.457230497585781
Energy: 1.4058103187097213
Energy: 1.4053763369569865
Energy: 2.2403830758343455
Energy: 1.444606951322357
Energy: 1.3997720298708523
Energy: 1.3900172963691175
Energy: 1.3975765678958978
Energy: 1.4465420777462275
Energy: 1.841492483389277
Energy: 1.390001439111034
Energy: 1.4065576791751797
Energy: 1.4302634937430903
Energy: 1.3973262411930591
Energy: 1.406530782463689
Energy: 2.255735130876415
Energy: 1.4510693393790695
Energy: 1.4057532098358065
Energy: 1.5093138013263894
Energy: 1.3992613288773839
Energy: 1.4354597109693177
Energy: 2.44845452072242
Energy: 1.3896896140229262
Energy: 1.4207980327663114
Energy: 1.4601921995081066
Energy: 1.3988010154931552
Energy: 1.3916064125266898
Energy: 2.1918075578674996
Energy: 1.3332422457643922
Energy: 1.3649087099472723
Energy: 1.3618102741902247
Energy: 1.3267947110215204
Energy: 1.3869194283621236
Energy: 2.208840316820067
Energy: 1.3315849681706766
Energy: 1.2535908692851132
Energy: 1.2507431202449573
Energy: 1.3278194739863052
Energy: 1.34160204892316
Energy: 2.438692262964082
Energy: 1.3749481715099499
Energy: 1.2668359067366015
Energy: 1.282514639740052
Energy: 1.32624256679828
Energy: 1.3732572366696096
Energy: 2.4013485452942773
Energy: 1.2482018141942604
Energy: 1.219502417774669
Energy: 1.2240176637491806
Energy: 1.1931118141507377
Energy: 1.380370891756203
Energy: 2.1861614020873215
Energy: 1.1934863776806437
Energy: 1.1010645148178864
Energy: 1.1039073852739365
Energy: 1.1942735617479507
Energy: 1.3874337281321687
Energy: 2.4363825367598015
Energy: 1.303629222653413
Energy: 1.214837789067433
Energy: 1.1103451043666859
Energy: 1.1977944424288116
Energy: 1.3753891524581847
Energy: 2.4447664622631695
Energy: 1.346352758817436
Energy: 1.1032983630724473
Energy: 1.109437380785333
Energy: 1.199749034260056
Energy: 1.3753273434111473
Energy: 2.3880646559373813
Energy: 1.2057839002687716
Energy: 1.1011956536907088
Energy: 1.1000948901909422
Energy: 1.1961549575165125
Energy: 1.369733728928436

minimum gb energy = 1.0999198415059381 eV
minimum distance =  2.22956354597243 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.45413449226760527
Energy: 0.3683617327843778
Energy: 0.5163061333375993
Energy: 0.51447896827717
Energy: 0.5125994947596675
Energy: 0.3702652971642903
Energy: 0.3497916567541929
Energy: 0.5136677819175132
Energy: 0.4981362352542847
Energy: 0.49732940459336655
Energy: 0.5121308810228783
Energy: 0.5153205553565501
Energy: 1.8941284217136656
Energy: 0.49733403512206037
Energy: 0.4977423238445327
Energy: 0.5151136433301587
Energy: 0.49763485446607525
Energy: 0.4981564465684231
Energy: 0.35102501780643913
Energy: 0.49825378936415315
Energy: 0.4979924052624538
Energy: 0.49932067986827333
Energy: 0.49623414308741876
Energy: 0.34982935992690833
Energy: 0.34973778222408825
Energy: 0.49732086646418
Energy: 0.49748221857587316
Energy: 0.4976106156173508
Energy: 0.4954355321946759
Energy: 0.3500121564376955
Energy: 1.8936327816318703
Energy: 0.4968952186053626
Energy: 0.49762797405713033
Energy: 0.4992827623480827
Energy: 0.49635389097716875
Energy: 0.49795684813165836
Energy: 0.3564665230546082
Energy: 0.49810062878940864
Energy: 0.49822123187601397
Energy: 0.5161396181758763
Energy: 0.4984439565121826
Energy: 0.49885309004329703

minimum gb energy = 0.34973778222408825 eV
minimum distance =  2.43065051051744 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.4550547729963257
Energy: 1.2843214556107339
Energy: 1.0950311913665516
Energy: 1.329204148579775
Energy: 1.092715196846205
Energy: 1.3912500292115049
Energy: 2.455464992741254
Energy: 1.2199199236287215
Energy: 1.0760145120638964
Energy: 1.0834796477679802
Energy: 1.0705207484065138
Energy: 1.3452189101394438
Energy: 2.4466583857873516
Energy: 1.1467492109304227
Energy: 1.0862656677073208
Energy: 1.0888082186472057
Energy: 1.0767932798379665
Energy: 1.3552225080489873
Energy: 2.5933160875172385
Energy: 1.2019580789937812
Energy: 1.075043167054069
Energy: 1.0852072625267333
Energy: 1.1346962232197149
Energy: 1.3384694552642844
Energy: 2.5909330653737808
Energy: 1.2032917260557143
Energy: 1.227069085434601
Energy: 1.2185396984989525
Energy: 1.201345625634615
Energy: 1.3410793166072037
Energy: 2.4457434577784074
Energy: 1.328774909855439
Energy: 1.2294731511071535
Energy: 1.2281400069548614
Energy: 1.214368013466694
Energy: 1.3554312310669085
Energy: 2.4356692215279794
Energy: 1.3615952312998532
Energy: 1.2268048025303415
Energy: 1.2170405261621213
Energy: 1.2256204081706785
Energy: 1.360127835999589
Energy: 2.2459788909215748
Energy: 1.3528928572937098
Energy: 1.3757337667766254
Energy: 1.4716043917196429
Energy: 1.3784484762921463
Energy: 1.3883965308601693
Energy: 2.3753629936842318
Energy: 1.4006248164580755
Energy: 1.373984893602013
Energy: 1.372409247207698
Energy: 1.3828992796480895
Energy: 1.3699894881718158
Energy: 2.2564114483185826
Energy: 1.4063701811845801
Energy: 1.3579471573654738
Energy: 1.3802531673424947
Energy: 1.3693652721093594
Energy: 1.41465903590911
Energy: 2.2720308201111754
Energy: 1.3909311743306434
Energy: 1.412367628766314
Energy: 1.4745291578569921
Energy: 1.4031256443805298
Energy: 1.3982578763468707
Energy: 2.2679113927599994
Energy: 1.403539217229401
Energy: 1.403499479674195
Energy: 1.395538045331059
Energy: 1.406618815702625
Energy: 1.4106951856364047
Energy: 2.187885392760557
Energy: 1.396142181420476
Energy: 1.407551857488185
Energy: 1.4128538933148036
Energy: 1.408095340285734
Energy: 1.455823369153409
Energy: 2.175745531747151
Energy: 1.4180265509817767
Energy: 1.4369197519497199
Energy: 1.4577792733178236
Energy: 1.4379716216100018
Energy: 1.4214226907171899
Energy: 1.9384679570773105
Energy: 1.418640109766468
Energy: 1.4569252557402932
Energy: 1.5020303113478126
Energy: 1.4317470308437714
Energy: 1.4093335683534884
Energy: 1.8693647102475417
Energy: 1.440052893372594
Energy: 1.4118019427966406
Energy: 1.4085502718649692
Energy: 1.4230370848359908
Energy: 1.4316977592611426
Energy: 1.880458759878704
Energy: 1.4326652031521931
Energy: 1.4234848454235878
Energy: 1.4096642194392945
Energy: 1.4140550309971491
Energy: 1.4360854235963072
Energy: 1.8560206022346926
Energy: 1.399987207322891
Energy: 1.3937243162789923
Energy: 1.5215962999244252
Energy: 1.4193108951495734
Energy: 1.4035787291575539
Energy: 1.8720694796533286
Energy: 1.3939515236467002
Energy: 1.3961331534607215
Energy: 1.4032408474848757
Energy: 1.4216528050131552
Energy: 1.4062279629313723
Energy: 1.5327028954901185
Energy: 1.3408587641370677
Energy: 1.401083121333753
Energy: 1.402825688951465
Energy: 1.3949341773055164
Energy: 1.3554937545024512
Energy: 1.5264772391785353
Energy: 1.3245695834927877
Energy: 1.4183259578066478
Energy: 1.4090108432034858
Energy: 1.3155690323213105
Energy: 1.3231410952810492
Energy: 1.5408897846511072
Energy: 1.3303926023554575
Energy: 1.354141593192622
Energy: 1.6638778270959058
Energy: 1.3192430095802128
Energy: 1.3202179288130584
Energy: 1.3104095211788436
Energy: 1.3128106047935304
Energy: 1.3665709767932486
Energy: 1.4064051654441945
Energy: 1.3126074996807167
Energy: 1.3251746919400287
Energy: 1.3020147159757904
Energy: 1.3070953019584426
Energy: 1.3541273407087977
Energy: 1.3993288675100437
Energy: 1.3156785683103323
Energy: 1.2971309995899933
Energy: 1.296016422144332
Energy: 1.2665254251047007
Energy: 1.3199688829912277
Energy: 1.4294816216319428
Energy: 1.2642617183257139
Energy: 1.2811855797986094
Energy: 1.276832121698711
Energy: 1.2560167910458266
Energy: 1.3178897292281178
Energy: 1.3859219495995632
Energy: 1.3188338858399287
Energy: 1.2664668884686705
Energy: 1.1317069220563392
Energy: 1.1270927224687175
Energy: 1.319224611268403
Energy: 1.3900922261148572
Energy: 1.318783324661051
Energy: 1.1384435915291347
Energy: 1.1516898489709795
Energy: 1.1465816871401062
Energy: 1.321168697109266
Energy: 1.4251391872939183
Energy: 1.1468275377073551
Energy: 1.1617433104657422
Energy: 1.159052265361642
Energy: 1.1559012185003483
Energy: 1.1825745362826205
Energy: 1.4176385174304607
Energy: 1.1654123215747998
Energy: 1.1696726307752778
Energy: 1.25501815197657
Energy: 1.1702627183159173
Energy: 1.3346094384617517
Energy: 1.3935017489220196
Energy: 1.1684956802508286
Energy: 1.1869980168402356
Energy: 1.244925368000237
Energy: 1.1727203427266821
Energy: 1.343600392979047
Energy: 1.4918645450411046
Energy: 1.198430530400269
Energy: 1.1808775078657987
Energy: 1.237089475524728
Energy: 1.166627100464696
Energy: 1.3791104446534954
Energy: 1.4163241388555647
Energy: 1.168793901125692
Energy: 1.1816556120984063
Energy: 1.2223466365566715
Energy: 1.169452814184491
Energy: 1.3507772751457676
Energy: 1.4029136275949838
Energy: 1.3503535940215519
Energy: 1.1732266730978749
Energy: 1.527039648226288
Energy: 1.35819041918555
Energy: 1.3496099206006238
Energy: 1.3929925622046075
Energy: 1.3565640850114502
Energy: 1.3524115882217465
Energy: 1.5246759256307356
Energy: 1.3678834176008665
Energy: 1.3774784345709736
Energy: 1.501352720284371
Energy: 1.3509057612005448
Energy: 1.3547311161751856
Energy: 1.5345303731250393
Energy: 1.3928193502778967
Energy: 1.4107645662017094
Energy: 1.4033334162023876
Energy: 1.4001671305798484
Energy: 1.391744699481709
Energy: 1.8699581309205102
Energy: 1.4163054383571432
Energy: 1.3947763811160996
Energy: 1.4073678010647115
Energy: 1.396818421937952
Energy: 1.4225158410395096
Energy: 1.776440621615447
Energy: 1.4139809472818372
Energy: 1.435998854191944
Energy: 1.4328099424215808
Energy: 1.449683328580176
Energy: 1.4143160841069466
Energy: 1.8423013187652606
Energy: 1.3988493653902916
Energy: 1.4215499813652166
Energy: 1.4215111319168523
Energy: 1.449948514914026
Energy: 1.4182013820460115
Energy: 1.8597622087709156
Energy: 1.4266611804623945
Energy: 1.4285588418637014
Energy: 1.4090349478179847
Energy: 1.4190361780653427
Energy: 1.4549469719348975
Energy: 2.1131261627089817
Energy: 1.424730981271689
Energy: 1.4341769610383095
Energy: 1.4118750670398348
Energy: 1.4228303622617622
Energy: 1.4132102370815185
Energy: 2.099638685569151
Energy: 1.4178756062947369
Energy: 1.4377365557342323
Energy: 1.4918599867448015
Energy: 1.4168828709816434
Energy: 1.4337274934247697
Energy: 2.207273227160894
Energy: 1.447567551353142
Energy: 1.39857886092238
Energy: 1.433996079663125
Energy: 1.3992393065152098
Energy: 1.4044125122021403
Energy: 2.3490674958288333
Energy: 1.4048104081806763
Energy: 1.4092348398531733
Energy: 1.4247490763675283
Energy: 1.4149021570731153
Energy: 1.4243184119295884
Energy: 2.078723739582606
Energy: 1.3895132978240867
Energy: 1.4119923435425084
Energy: 1.423197306042829
Energy: 1.413013874754893
Energy: 1.3996410551831933
Energy: 2.413745609245651
Energy: 1.401617485334559
Energy: 1.3932015935263784
Energy: 1.399205719142222
Energy: 1.412778881961246
Energy: 1.4065933020060393
Energy: 2.3913323240853077
Energy: 1.3556450574026693
Energy: 1.370576811433765
Energy: 1.3820183722085164
Energy: 1.3870556935238514
Energy: 1.4066250156444182
Energy: 2.4294057349051377
Energy: 1.3562242528034227
Energy: 1.367605788437446
Energy: 1.3670330851073698
Energy: 1.377014122595551
Energy: 1.3710750256296662
Energy: 2.428394717319375
Energy: 1.3627721128854287
Energy: 1.22521990012794
Energy: 1.2229676376762824
Energy: 1.2342977761402187
Energy: 1.3743097749069426
Energy: 2.449423870046939
Energy: 1.2971355605509254
Energy: 1.222697085728991
Energy: 1.2292145563522938
Energy: 1.2045295318192957
Energy: 1.3815852512952436
Energy: 2.45214510542819
Energy: 1.2060533255590757
Energy: 1.2053196698527602
Energy: 1.2406178779941668
Energy: 1.2069681313868144
Energy: 1.3486770073546894

minimum gb energy = 1.0705207484065138 eV
minimum distance =  2.21583965541923 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.7172628187009344
Energy: 1.1968727375214576
Energy: 1.2181581256105953
Energy: 1.4517567929791653
Energy: 1.214121482821689
Energy: 1.588628844269027
Energy: 2.174994433521448
Energy: 1.3976594776803994
Energy: 1.1889158250784886
Energy: 1.1945036608671575
Energy: 1.1901731085295335
Energy: 1.565817306938214
Energy: 2.08125691629781
Energy: 1.3065442889989995
Energy: 1.2009610729047633
Energy: 1.207941417398031
Energy: 1.1974282215951522
Energy: 1.561979134076549
Energy: 2.0855752757383783
Energy: 1.370315298614864
Energy: 1.193740835594625
Energy: 1.204152233554136
Energy: 1.2024010464451425
Energy: 1.547186337363917
Energy: 2.09719833044888
Energy: 1.372110236848246
Energy: 1.380713185689015
Energy: 1.3910319253920091
Energy: 1.3828420782179205
Energy: 1.5571398509283956
Energy: 2.080357078584039
Energy: 1.3832330624578024
Energy: 1.3790492972433768
Energy: 1.3979133619913586
Energy: 1.3756140431492552
Energy: 1.609372624014006
Energy: 2.189022476820469
Energy: 1.567243555474149
Energy: 1.3739743242865154
Energy: 1.4012483075269826
Energy: 1.3850660760511972
Energy: 1.5767719502769983
Energy: 2.361853383707232
Energy: 1.562950399399383
Energy: 1.6040977518099737
Energy: 1.4888114649421713
Energy: 1.6036489120711757
Energy: 1.594986719969093
Energy: 2.083530653134725
Energy: 1.589909150918316
Energy: 1.5771765923272354
Energy: 1.5657368935029514
Energy: 1.5845788821300226
Energy: 1.6041588619122604
Energy: 2.0533973332487325
Energy: 1.5982588355828642
Energy: 1.5671123751952767
Energy: 1.7145869933974178
Energy: 1.5737151818738182
Energy: 1.6051095524055368
Energy: 1.9283006336362007
Energy: 1.5896416649334486
Energy: 1.6032933145374564
Energy: 1.7050385402403896
Energy: 1.5956807020987456
Energy: 1.5938920869576902
Energy: 2.0699799503962133
Energy: 1.6095779164981008
Energy: 1.6003125280298345
Energy: 1.5988483959275543
Energy: 1.604265663738133
Energy: 1.5997455310555895
Energy: 1.8410852328605145
Energy: 1.5387139233547136
Energy: 1.5892415055389026
Energy: 1.5984619137120522
Energy: 1.5935852123707388
Energy: 1.5157025752008153
Energy: 1.827329288532809
Energy: 1.5124075648967867
Energy: 1.6100923603410786
Energy: 1.6008361289788091
Energy: 1.5547059027779448
Energy: 1.5078814159444034
Energy: 1.826076478928392
Energy: 1.5289558330050768
Energy: 1.5260957859126454
Energy: 1.891742424325605
Energy: 1.5285193805585053
Energy: 1.5210582773673864
Energy: 1.6557309294969258
Energy: 1.5207957560728373
Energy: 1.576783899647389
Energy: 1.5862340089025706
Energy: 1.5112462443420165
Energy: 1.513524372365241
Energy: 1.5016340163080852
Energy: 1.4815103508201142
Energy: 1.5212533856738362
Energy: 1.6264489786742233
Energy: 1.5101137122958748
Energy: 1.480418299753037
Energy: 1.494201565386656
Energy: 1.4599491641293025
Energy: 1.5333793541136247
Energy: 1.601525845963586
Energy: 1.4532481707545752
Energy: 1.4555965517331844
Energy: 1.4744261712275768
Energy: 1.4381921712180314
Energy: 1.5299073753920722
Energy: 1.5743476638942637
Energy: 1.5458992297035101
Energy: 1.441521774666253
Energy: 1.2766178853016557
Energy: 1.2661580245795636
Energy: 1.5181462030594746
Energy: 1.5700734150471165
Energy: 1.54795512276876
Energy: 1.2653265162299927
Energy: 1.2983545422185645
Energy: 1.2819248655964612
Energy: 1.5336799069908773
Energy: 1.6005641806929658
Energy: 1.285790125376511
Energy: 1.2859444633501171
Energy: 1.3068747010714394
Energy: 1.2987925677050682
Energy: 1.337614376820177
Energy: 1.6063398754066556
Energy: 1.3178252501135228
Energy: 1.2978673165714054
Energy: 1.3164151368772727
Energy: 1.3340930956198604
Energy: 1.5626689140792702
Energy: 1.6022363593679279
Energy: 1.3037559392592197
Energy: 1.334504909293079
Energy: 1.4145236590201142
Energy: 1.3168121456466573
Energy: 1.3384557692963335
Energy: 1.6527567290900287
Energy: 1.320181760400346
Energy: 1.3161985403236507
Energy: 1.4101574407999058
Energy: 1.3257314277563124
Energy: 1.596230495774927
Energy: 1.6006578542251864
Energy: 1.315562830998925
Energy: 1.3137956767423982
Energy: 1.408298594863643
Energy: 1.3280914462228806
Energy: 1.57427588285727
Energy: 1.578426979320274
Energy: 1.574426706084697
Energy: 1.3084653324964313
Energy: 1.8180562514261778
Energy: 1.5617293289024694
Energy: 1.5633275469483776
Energy: 1.5780462003767475
Energy: 1.5787817195282028
Energy: 1.562436483416659
Energy: 1.6885593033819999
Energy: 1.5687400909885252
Energy: 1.5634813109584953
Energy: 1.7379171985478514
Energy: 1.5648960460903194
Energy: 1.5687213649134104
Energy: 1.8371777446966178
Energy: 1.5834802347421333
Energy: 1.6071950154391665
Energy: 1.6743194489509252
Energy: 1.5986447201107425
Energy: 1.5939390645404203
Energy: 1.8619655912003001
Energy: 1.6224822848858322
Energy: 1.598319335691531
Energy: 1.5731391878676668
Energy: 1.6129835489216753
Energy: 1.613285084745075
Energy: 2.140948312908973
Energy: 1.6030023355006344
Energy: 1.6327676450164803
Energy: 1.9513053911962737
Energy: 1.610601418292436
Energy: 1.5964933673727344
Energy: 2.161381099903642
Energy: 1.5955653732854727
Energy: 1.6019336575884902
Energy: 1.6343978246454567
Energy: 1.6168786394231631
Energy: 1.6059593094789502
Energy: 2.0878940377820827
Energy: 1.575495622175407
Energy: 1.5698039900869125
Energy: 1.601659872792404
Energy: 1.579883032364917
Energy: 1.6082748083847187
Energy: 2.0921013504613915
Energy: 1.5779501678893328
Energy: 1.5708654184548225
Energy: 1.6000595771815507
Energy: 1.57949020337744
Energy: 1.5840878061241679
Energy: 2.1368325156836487
Energy: 1.5660464672041265
Energy: 1.4057767649058344
Energy: 1.407474957906692
Energy: 1.402814743390818
Energy: 1.585332353540846
Energy: 2.081200356546429
Energy: 1.5122096759133776
Energy: 1.3672734384396659
Energy: 1.3918263561306885
Energy: 1.3767992576676078
Energy: 1.5936580137088998
Energy: 2.1841294746785835
Energy: 1.381106516836095
Energy: 1.3800334136699632
Energy: 1.381973178200955
Energy: 1.3800159080698282
Energy: 1.5632334998683894
Energy: 2.376478414004324
Energy: 1.3686907271644408
Energy: 1.3763686033195095
Energy: 1.2098266538677405
Energy: 1.3655825366547008
Energy: 1.5738070108869662

minimum gb energy = 1.1889158250784886 eV
minimum distance =  2.26841046090264 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.3848184391601173
Energy: 1.2813008915022472
Energy: 1.2968002490383255
Energy: 1.2605401475081293
Energy: 1.2869449810217888
Energy: 1.7572424700644451
Energy: 1.7685190083493498
Energy: 1.5044571558607196
Energy: 1.2747959126523187
Energy: 1.2705799620440925
Energy: 1.2756667223712197
Energy: 1.6903842641894735
Energy: 1.8237029442210748
Energy: 1.4990715986215732
Energy: 1.2865323720386515
Energy: 1.2855275116142666
Energy: 1.2865672886356396
Energy: 1.6910308070427404
Energy: 2.3308660449083627
Energy: 1.5016715204806563
Energy: 1.264362836490098
Energy: 1.2717803887955126
Energy: 1.2655125056506638
Energy: 1.7055310528627796
Energy: 2.330834949930474
Energy: 1.5026443962721556
Energy: 1.49528088316911
Energy: 1.5421815002447048
Energy: 1.4936385806885455
Energy: 1.7049761915887807
Energy: 1.8214878167998199
Energy: 1.5036470177180992
Energy: 1.4830776285051486
Energy: 1.4959669190223641
Energy: 1.5040976120644336
Energy: 1.737205850595709
Energy: 1.8233812931766655
Energy: 1.742804304739382
Energy: 1.476146329904994
Energy: 1.531667345568025
Energy: 1.4946591200653057
Energy: 1.716089143699899
Energy: 2.034776267605243
Energy: 1.7238700265369866
Energy: 1.7254811828296641
Energy: 1.5403886752291533
Energy: 1.7184652054323104
Energy: 1.725541379607419
Energy: 1.8075869550370633
Energy: 1.735979461496472
Energy: 1.7312339851094425
Energy: 1.705511135714848
Energy: 1.7353558043491382
Energy: 1.708623734897183
Energy: 2.1043875893916404
Energy: 1.7105717417821684
Energy: 1.7199416787320396
Energy: 1.8261967561437324
Energy: 1.710959002608853
Energy: 1.7106680322073138
Energy: 2.0440045647985805
Energy: 1.7235131069945322
Energy: 1.7367012077761415
Energy: 1.9356486129277817
Energy: 1.7064322155641558
Energy: 1.709932642243238
Energy: 2.0485465627503414
Energy: 1.7304025282818252
Energy: 1.7061101345238967
Energy: 1.733026882254191
Energy: 1.7307776336445129
Energy: 1.702092207035485
Energy: 1.5306257303654944
Energy: 1.519202544277971
Energy: 1.7168353488304864
Energy: 1.7154549178170475
Energy: 1.7160869053806846
Energy: 1.4762967898352741
Energy: 1.524172574969889
Energy: 1.4910039813342408
Energy: 1.7385178730456883
Energy: 1.7023660709762223
Energy: 1.6896103905354733
Energy: 1.4922925671098315
Energy: 1.5225344280914332
Energy: 1.5032206492909737
Energy: 1.6899046255018084
Energy: 1.710106964944785
Energy: 1.5030432967417673
Energy: 1.482995197107104
Energy: 1.2631781341008863
Energy: 1.4866345689458655
Energy: 1.68111850466315
Energy: 1.73193270588532
Energy: 1.4925302528793047
Energy: 1.4845074122242545
Energy: 1.2664676484319437
Energy: 1.2748717039223556
Energy: 1.5046298253189807
Energy: 1.668746767451826
Energy: 1.5044907517986712
Energy: 1.2656223755784468
Energy: 1.2806080692498651
Energy: 1.2865809138468296
Energy: 1.6823344147229913
Energy: 1.7161938911120667
Energy: 1.5097955536268
Energy: 1.2865975665836853
Energy: 1.268551860772794
Energy: 1.2734342727246726
Energy: 1.501946644799627
Energy: 1.706824441224516
Energy: 1.494950234383252
Energy: 1.2641453362904704
Energy: 1.562227831562219
Energy: 1.4889655904427983
Energy: 1.5025772772204697
Energy: 1.713850178753655
Energy: 1.495549822468246
Energy: 1.5027546180937705
Energy: 1.5213733845803958
Energy: 1.5022963107823402
Energy: 1.6824153652904779
Energy: 1.7112078497474614
Energy: 1.505398214107588
Energy: 1.5047687034746229
Energy: 1.5461236148697888
Energy: 1.4949101225367862
Energy: 1.7293124881274995
Energy: 1.7360822270394547
Energy: 1.7421485050246768
Energy: 1.4756364492394156
Energy: 1.5346447016649176
Energy: 1.5168227126324152
Energy: 1.557147982038493
Energy: 1.726121338857888
Energy: 1.5361887370175868
Energy: 1.4769934766796577
Energy: 1.7595895476435657
Energy: 1.7333153833306656
Energy: 1.7219359040004545
Energy: 1.8034691522395845
Energy: 1.731750341888259
Energy: 1.7106681003061583
Energy: 1.8124239802515387
Energy: 1.721999503514804
Energy: 1.7099338063146445
Energy: 2.0059280516912095
Energy: 1.7109635290865899
Energy: 1.6998197104665973
Energy: 1.8186235358860197
Energy: 1.710584242461526
Energy: 1.7113798064660108
Energy: 1.7079874351894828
Energy: 1.7080552900470922
Energy: 1.7093674245476098
Energy: 2.0681538192665756
Energy: 1.731668457681113
Energy: 1.7073976213574975
Energy: 1.7091369324825239
Energy: 1.7253160560211227
Energy: 1.71898765075256
Energy: 2.3120738836886563
Energy: 1.7104920876497496
Energy: 1.5164842877726592
Energy: 1.4750642266351348
Energy: 1.5202295037960583
Energy: 1.7188677883700156
Energy: 2.104157742064171
Energy: 1.712070619739024
Energy: 1.4831048604635302
Energy: 1.5165529157202107
Energy: 1.4931305879384613
Energy: 1.7404873287496032
Energy: 1.8010008232512154
Energy: 1.5089665966251558
Energy: 1.5033108347003268
Energy: 1.4943306262826235
Energy: 1.5033453420044096
Energy: 1.6924286494386185
Energy: 2.3079752700437526
Energy: 1.4919878878058572
Energy: 1.4861732068808244
Energy: 1.5451441799880101
Energy: 1.4764991779227525
Energy: 1.6800335239575772

minimum gb energy = 1.2605401475081293 eV
minimum distance =  2.24378283750254 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.109790295891323
Energy: 1.4049547095888861
Energy: 1.412278415304726
Energy: 1.6872082553334835
Energy: 1.4141275058507168
Energy: 1.4054976658907072
Energy: 2.0617866277064794
Energy: 1.6886668422110283
Energy: 1.3974824633482772
Energy: 1.404518575528577
Energy: 1.3979438953402634
Energy: 1.9035915750479582
Energy: 2.117311530134045
Energy: 1.6904607594159355
Energy: 1.4150872064837055
Energy: 1.4148853721628887
Energy: 1.4152662337360975
Energy: 1.8809275415243196
Energy: 2.074142990964862
Energy: 1.6800451483088041
Energy: 1.3878640372302222
Energy: 1.3956533947257848
Energy: 1.3862152503796958
Energy: 1.8981143140839354
Energy: 2.0714483512273234
Energy: 1.6829628862910637
Energy: 1.6650333321093305
Energy: 1.421845797422543
Energy: 1.68339658284988
Energy: 1.8982739739733414
Energy: 2.1174337677552053
Energy: 1.6683077648414701
Energy: 1.6875538195289281
Energy: 1.6829988560131877
Energy: 1.679640145621254
Energy: 1.9176923842910116
Energy: 2.135649909468493
Energy: 1.9295827585802225
Energy: 1.6714525305313304
Energy: 1.7268417066375035
Energy: 1.6713516050169608
Energy: 1.8961605115818105
Energy: 1.7282860798159079
Energy: 1.9344114722980847
Energy: 1.9187197964910696
Energy: 1.7536864412995874
Energy: 1.9368181845678736
Energy: 1.9067978320983372
Energy: 1.7208889808937713
Energy: 1.917629014375683
Energy: 1.9139782503009943
Energy: 1.987594942525589
Energy: 1.9269371184409443
Energy: 1.9197843840620827
Energy: 1.7185090908010505
Energy: 1.6649757543290467
Energy: 1.9025572945454234
Energy: 2.0600012433679447
Energy: 1.9139763161305297
Energy: 1.6582475649135782
Energy: 1.7501536453478932
Energy: 1.679970284646407
Energy: 1.8808795645692575
Energy: 1.7255989002145518
Energy: 1.6618160430466558
Energy: 1.6838453223846437
Energy: 1.7383328632791863
Energy: 1.6780690969186933
Energy: 1.6612146283207365
Energy: 1.9341453397009432
Energy: 1.6877173673854966
Energy: 1.6674165467862456
Energy: 1.3860705435441913
Energy: 1.3864688749107472
Energy: 1.8766772656499673
Energy: 1.877612877645418
Energy: 1.6792196102311754
Energy: 1.388021238421992
Energy: 1.4225399739763611
Energy: 1.4176702935023928
Energy: 1.899270939948257
Energy: 1.9350343766990574
Energy: 1.4187820583556359
Energy: 1.4226045185020135
Energy: 1.3932166105140364
Energy: 1.3970579274282071
Energy: 1.7073205256091863
Energy: 2.044972864430084
Energy: 1.6914793982874532
Energy: 1.3963896662237034
Energy: 1.38499141456781
Energy: 1.3927204181729913
Energy: 1.9225937075613286
Energy: 1.9000842779149496
Energy: 1.6611835873403515
Energy: 1.3866592660505255
Energy: 1.7341526357527388
Energy: 1.6867311165110659
Energy: 1.7078026292850232
Energy: 1.6536132468817657
Energy: 1.6891947908374976
Energy: 1.6774183129901983
Energy: 1.731044095653573
Energy: 1.6838068938052044
Energy: 1.9127878146450867
Energy: 1.6568434165384258
Energy: 1.661109374374769
Energy: 1.6816001804239316
Energy: 1.7673283664386092
Energy: 1.6712695176280323
Energy: 1.9071689417160895
Energy: 1.8989999851569785
Energy: 1.9080767365884552
Energy: 1.6578992184424854
Energy: 2.098018863890576
Energy: 1.927209443095408
Energy: 1.9067529387143285
Energy: 1.9011111139615793
Energy: 1.9344247225683224
Energy: 1.9254169985853347
Energy: 2.052729597126431
Energy: 1.9321494726002073
Energy: 1.6708475581989142
Energy: 1.7180868921877355
Energy: 1.9066290066329277
Energy: 1.9016471270063506
Energy: 2.1032057808194526
Energy: 1.9146420825741046
Energy: 1.660978823153583
Energy: 1.7241650177148526
Energy: 1.6646777046574317
Energy: 1.922072674708924
Energy: 2.124159550326608
Energy: 1.672464358157332
Energy: 1.6976856082097525
Energy: 1.6786506675661543
Energy: 1.6972135458495947
Energy: 1.8815065255664183
Energy: 2.053521204275251
Energy: 1.661915490738824
Energy: 1.6631538326246214
Energy: 1.7293722122583768
Energy: 1.6596567313521875
Energy: 1.876047003211765

minimum gb energy = 1.38499141456781 eV
minimum distance =  2.24159559273678 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.814304657789137
Energy: 2.160274565114046
Energy: 1.529131530765779
Energy: 1.8124522197222457
Energy: 2.165267400843661
Energy: 2.153189293019438
Energy: 2.041797283742883
Energy: 1.8855974475570518
Energy: 1.5285603971102764
Energy: 1.5412797772364784
Energy: 1.5298841107684897
Energy: 2.15237788087671
Energy: 1.5432955482450268
Energy: 1.884734843467696
Energy: 1.5594658459277788
Energy: 1.556667705974167
Energy: 1.558689294580247
Energy: 2.1813755673354005
Energy: 2.0529417265260435
Energy: 1.8759304500760583
Energy: 1.5290652719591815
Energy: 1.5300315938669176
Energy: 1.52790310273673
Energy: 1.8998184854514693
Energy: 2.049952206251271
Energy: 1.9014056452545636
Energy: 1.866296520301528
Energy: 1.5295799382188757
Energy: 1.8602201883869882
Energy: 1.8860938522789876
Energy: 1.5397657932150663
Energy: 1.8985181831163822
Energy: 1.884308476746513
Energy: 1.5622922012378495
Energy: 1.9014254022235968
Energy: 1.8804730995553858
Energy: 2.0459891102077927
Energy: 1.860927102826782
Energy: 1.884469862121448
Energy: 1.5412584169822885
Energy: 1.8590632295765264
Energy: 1.8620988251430741
Energy: 2.0464799135686986
Energy: 1.8930747274685298
Energy: 1.8938692131716737
Energy: 1.545229575930788
Energy: 1.8876209335283558
Energy: 1.8586329862170194
Energy: 1.5293307544944441
Energy: 1.8649838502843992
Energy: 2.154222911466382
Energy: 2.144416996488443
Energy: 1.877692723251145
Energy: 1.5411745095833405
Energy: 1.5297355778906547
Energy: 1.5278544087317059
Energy: 1.884327245796942
Energy: 2.5671584303332313
Energy: 1.9001344145616164
Energy: 1.5287252379899094
Energy: 1.5535966800046894
Energy: 1.5676015900149223
Energy: 1.9004269055732559
Energy: 1.5419236372397214
Energy: 1.565901731590497
Energy: 1.5629617699960767
Energy: 1.5299301296234864
Energy: 1.5300233154365386
Energy: 1.9012830756735157
Energy: 1.86445997704444
Energy: 1.901089599052503
Energy: 1.5303426474251156
Energy: 1.5415452391158646
Energy: 1.8863490474778104
Energy: 1.9002384734498705
Energy: 1.8599890498728766
Energy: 1.8765962370065474
Energy: 1.8746430129386829
Energy: 1.5628940550133195
Energy: 1.9091674479519352
Energy: 1.6359037521570508
Energy: 1.5451529067201126
Energy: 1.8849725547948757
Energy: 1.5443429857258275
Energy: 1.5283518724673544
Energy: 1.9012667448873504
Energy: 1.8584159523222592
Energy: 2.043515324440962
Energy: 1.6337786494842645
Energy: 1.879177169419691
Energy: 1.541605881077147
Energy: 1.890002865744324
Energy: 1.8931832072849513
Energy: 1.8600938220006822
Energy: 1.895864216521675
Energy: 1.5411186523877392
Energy: 2.5573990288167527
Energy: 1.8831130866890817
Energy: 1.8592842426300245
Energy: 1.5405117750531363
Energy: 1.8618950619128851
Energy: 2.1440368668167813

minimum gb energy = 1.5278544087317059 eV
minimum distance =  2.25402550313838 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.0837305484651996
Energy: 1.6212030125687769
Energy: 1.6287009659575573
Energy: 1.9125178583389368
Energy: 1.647455115472189
Energy: 2.306088697972385
Energy: 1.7322179895646261
Energy: 1.833773436421536
Energy: 1.6304460558177192
Energy: 1.625110387850172
Energy: 1.6276143913662495
Energy: 1.8401844086817567
Energy: 1.7652381895482372
Energy: 1.9835123158372878
Energy: 1.642751850675792
Energy: 1.6310253100172196
Energy: 1.638844770980274
Energy: 2.116348821658633
Energy: 2.283510713958272
Energy: 2.1986453726967317
Energy: 1.6417647092573033
Energy: 1.6508739698809378
Energy: 1.6407492659678111
Energy: 2.2137283387558977
Energy: 2.314772432927656
Energy: 2.220233326015915
Energy: 2.090987332547146
Energy: 2.2480886492329937
Energy: 2.2169790899276305
Energy: 2.079768619509852
Energy: 1.637016326392508
Energy: 1.6345021653398673
Energy: 2.167790221208686
Energy: 2.2177148432367035
Energy: 2.2412692083112686
Energy: 1.6368328020509555
Energy: 1.6280703408693882
Energy: 1.6386448596871437
Energy: 2.1201293263867536
Energy: 2.1467173332825875
Energy: 1.7936900977586092
Energy: 1.6484688740227833
Energy: 1.6261495679771407
Energy: 1.6320442342849428
Energy: 1.899012646149112
Energy: 1.6399387768437843
Energy: 1.656207465727693
Energy: 1.6440745527076428
Energy: 1.6417763435183743
Energy: 1.6287885247714473
Energy: 2.108977366041895
Energy: 2.1212705623814876
Energy: 1.8273788767845067
Energy: 1.6300823541238219
Energy: 1.8652373172672063
Energy: 1.8238357768716367
Energy: 1.8375620443610936
Energy: 1.8547427614052796
Energy: 1.8345735902050473
Energy: 1.8352877263044114
Energy: 1.865730089011985
Energy: 1.8377413550152553
Energy: 1.8816718430582655
Energy: 1.8757878684927032
Energy: 1.8326548934615337
Energy: 1.834311705086268
Energy: 1.8936427260369666
Energy: 1.8272486437001405
Energy: 2.100188956463995
Energy: 2.199062127958425
Energy: 2.0857392693650816
Energy: 1.8328789024940482
Energy: 1.6855073765031958
Energy: 2.0733655003039475
Energy: 2.074229474533784
Energy: 1.9881522096684432
Energy: 2.072243431265925
Energy: 2.128406029439631
Energy: 2.514243249540039
Energy: 1.9786508023677845
Energy: 1.6334923385591682
Energy: 1.6188582493795243
Energy: 2.1565530037610428
Energy: 2.304361563239278
Energy: 2.0564369681629433
Energy: 1.9522211411886934
Energy: 1.6103424226166931
Energy: 1.6121838820500318
Energy: 1.607060738371094
Energy: 2.142860539845426
Energy: 1.8434837681847063
Energy: 1.61256763428758
Energy: 1.6041600334361534
Energy: 1.6172355653502162
Energy: 1.6043358743984244
Energy: 1.952821785445546
Energy: 2.285134880290428
Energy: 1.953258814813036
Energy: 1.607354715200393
Energy: 1.6191841141661345
Energy: 1.6047375480085346
Energy: 2.2264538175126543
Energy: 2.285862295461712
Energy: 2.1051963879161932
Energy: 1.9752589302222854
Energy: 1.8315961062674457
Energy: 2.1107753010218513
Energy: 2.2254794745574276
Energy: 1.8569625846675208
Energy: 1.9805946928058575
Energy: 2.071691972502128
Energy: 1.9975345840900998
Energy: 2.076910804646692
Energy: 1.822584880986337
Energy: 1.8531394305271058
Energy: 1.8300799364088358
Energy: 1.9722944676063545
Energy: 2.293940557953042
Energy: 2.0589540068756618
Energy: 1.821843837824608
Energy: 1.8678222756762293
Energy: 1.838337270594053
Energy: 1.8347735497488127
Energy: 1.8667713173497158
Energy: 1.8368996684166068
Energy: 1.8309289815582073
Energy: 1.8742597927022338
Energy: 1.8291143912543588
Energy: 1.9781602088973889
Energy: 1.9859329916420154
Energy: 1.8282033403962337
Energy: 1.8308115454844118
Energy: 1.6248592068252086
Energy: 1.6264281966041332
Energy: 1.8245833193627619
Energy: 2.059518189161627
Energy: 1.8298750508777242
Energy: 1.6397212371882577
Energy: 1.6335353860251096
Energy: 1.6307551512114553
Energy: 1.8452298465094543
Energy: 1.7444679655012933
Energy: 1.6343723795800382
Energy: 1.6321923206369646
Energy: 1.6346070441392158
Energy: 1.6385325185201989
Energy: 2.228120810162359
Energy: 2.2349115387882423
Energy: 2.0935723188424644
Energy: 1.669899049005091
Energy: 1.640949773321275
Energy: 2.204352591577054
Energy: 2.2034689207905975
Energy: 2.23838097991113
Energy: 2.2324170991891608
Energy: 1.951232501738852
Energy: 2.5228794305710487
Energy: 2.2399495738176163
Energy: 2.25123073245022
Energy: 1.6375898793135228
Energy: 2.2366822685119483
Energy: 2.1755832306983636
Energy: 2.5038259406000787
Energy: 2.218976118251258
Energy: 1.6356438075087105
Energy: 1.6397965556663452
Energy: 1.637937123239222
Energy: 2.094790678656461
Energy: 1.7268533914399284
Energy: 1.6366905010238781
Energy: 1.6319702279248343
Energy: 1.641498881831243
Energy: 1.6289808491671878
Energy: 1.7882243871720478
Energy: 2.2817844886491994
Energy: 1.82509342741543
Energy: 1.6362075840818953
Energy: 1.6353949270856905
Energy: 1.632508920444135
Energy: 2.089796472325299
Energy: 2.2899948952969638
Energy: 1.8293334256613196
Energy: 1.8344728668281731
Energy: 1.8786577514471436
Energy: 1.8245337823621977
Energy: 2.0833862421043947
Energy: 1.739567498120512
Energy: 1.8353934424951364
Energy: 1.838140247324331
Energy: 1.8536561731118821
Energy: 1.8332163343601846
Energy: 2.11824025348525
Energy: 2.2856765334889637
Energy: 2.1152855647248248
Energy: 1.8343479258825512
Energy: 1.8197277390888913
Energy: 1.826710317248264
Energy: 1.9732726808317413
Energy: 2.269739885538863
Energy: 2.069542467929936
Energy: 1.8850283705775788
Energy: 1.8883922204967518
Energy: 2.0713617846777788
Energy: 2.0758288578028052
Energy: 1.8762302977220695
Energy: 2.112647922133988
Energy: 2.197853862580701
Energy: 2.5027086429198055
Energy: 2.110353511384582
Energy: 1.9741589785274638
Energy: 1.6222224931039648
Energy: 1.6188098345030157
Energy: 2.105773909371388
Energy: 2.50072225254127
Energy: 1.9577560321037308
Energy: 1.617549543923705
Energy: 1.6110355942242292
Energy: 1.608129241168691
Energy: 2.0230948096514356
Energy: 1.8351306668272107
Energy: 1.6141915313443786
Energy: 1.6082060821812727
Energy: 1.6063867658789035
Energy: 1.6079912335237312
Energy: 2.10371046401923
Energy: 1.8195554220739334
Energy: 1.763261735662282
Energy: 1.621751863670264
Energy: 1.8232469495739059
Energy: 2.154919936895997
Energy: 2.240119715155278
Energy: 2.215528314994744
Energy: 1.9714975675649782
Energy: 1.6028557271873023
Energy: 2.0691926537785914
Energy: 2.0717582854233405
Energy: 2.081067943895296
Energy: 1.7525804775362595
Energy: 2.0700953115849847
Energy: 2.1060684238411937
Energy: 2.3130918990511997
Energy: 2.103014301365583
Energy: 1.8358127473152421
Energy: 1.8619188969766298
Energy: 1.9026530498249445
Energy: 2.104419857907337
Energy: 1.8647261001200754
Energy: 1.9075714636559764
Energy: 1.8333439017371844
Energy: 1.858812195130378
Energy: 1.8340423606926017
Energy: 1.8045044446379892
Energy: 2.0556665987353244
Energy: 1.8282641332517875
Energy: 1.8268564568497228
Energy: 1.8554189537641137
Energy: 1.8287904539710023
Energy: 1.995661488277082

minimum gb energy = 1.6028557271873023 eV
minimum distance =  2.16649035081812 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.2646564312096142
Energy: 2.215634137232895
Energy: 1.9581731288508906
Energy: 1.9792798284213389
Energy: 2.345177075352008
Energy: 2.1659630174670843
Energy: 1.9049373947714021
Energy: 1.95781845415657
Energy: 1.7186388911679689
Energy: 1.6917064873350078
Energy: 1.6980003230267915
Energy: 2.042519010878395
Energy: 2.0007451623004218
Energy: 1.9115241396812466
Energy: 1.7205016826256334
Energy: 1.6870508642814803
Energy: 1.6980784667270867
Energy: 2.211657378908403
Energy: 2.230519856263184
Energy: 2.200454375292426
Energy: 1.7263825866638973
Energy: 1.7048321462341969
Energy: 1.880905079501915
Energy: 2.1850652911980366
Energy: 2.085144942403974
Energy: 2.1894244666735974
Energy: 2.2296303804529933
Energy: 2.1141060838759635
Energy: 2.194603169236394
Energy: 2.2351985176075373
Energy: 1.7323533303275764
Energy: 1.7051012054864174
Energy: 2.206684537206818
Energy: 2.150689407828717
Energy: 2.2003206573264147
Energy: 1.7044819049439912
Energy: 1.6902132065135984
Energy: 1.6980303375313126
Energy: 2.2248903537493248
Energy: 2.250671332168799
Energy: 2.023388837778872
Energy: 1.710625686463448
Energy: 1.680656770518003
Energy: 1.685037530587485
Energy: 1.9962155155780537
Energy: 1.6979107057440246
Energy: 1.7005346989593078
Energy: 1.7070373388845865
Energy: 1.7054170501433636
Energy: 1.687746508215284
Energy: 2.2510283216667633
Energy: 2.0637668367121456
Energy: 1.8905121302467571
Energy: 1.7233125949735573
Energy: 1.6899622052715533
Energy: 1.9093009180450609
Energy: 1.9133193570913576
Energy: 1.8858781007833942
Energy: 1.9140935191301331
Energy: 1.8909124095280088
Energy: 1.8761929117634635
Energy: 1.9146176361277065
Energy: 2.1083327433759695
Energy: 2.2532390202131514
Energy: 1.9172096580531588
Energy: 1.941194147570531
Energy: 1.704880896752508
Energy: 1.9050050032989472
Energy: 2.0578029001882756
Energy: 2.2288542968705705
Energy: 2.04262385593747
Energy: 1.9395400049875207
Energy: 1.7014664001985216
Energy: 2.0258108208646735
Energy: 2.0357421740928787
Energy: 2.1708491424139673
Energy: 2.031667099404823
Energy: 2.1773611920502436
Energy: 2.4197072658813807
Energy: 2.3777859061250064
Energy: 1.8168845153377102
Energy: 1.8651160947384013
Energy: 2.3332600924894003
Energy: 2.3524236780802816
Energy: 1.6945789291867868
Energy: 2.120499759548367
Energy: 1.8026082274155757
Energy: 1.836903505299538
Energy: 1.815291073042166
Energy: 2.1627812437614753
Energy: 1.8465857756660113
Energy: 1.8767175689879179
Energy: 1.796453461255399
Energy: 1.8104448853278896
Energy: 1.813239659275946
Energy: 2.1347579605369176
Energy: 2.228195147516848
Energy: 2.1303298059456455
Energy: 1.8132378180894229
Energy: 1.844545684977424
Energy: 1.8714734573498844
Energy: 2.062569759330186
Energy: 1.6889920418396733
Energy: 2.1481244086882465
Energy: 2.17244289066001
Energy: 1.7204899047345676
Energy: 2.168419143080125
Energy: 2.0791058047108684
Energy: 1.721592515202877
Energy: 2.116311430765158
Energy: 2.2057800494031907
Energy: 2.196049562316121
Energy: 2.1802863609627465
Energy: 1.692074778626659
Energy: 1.679593840516456
Energy: 1.7168106009808317
Energy: 2.1701502416569425
Energy: 2.0910103431275693
Energy: 2.1791642026023545
Energy: 1.701549273403534
Energy: 1.6934927251883922
Energy: 1.696021980863609
Energy: 1.9222027018483736
Energy: 1.7159543588453057
Energy: 1.7035120902557694
Energy: 1.7190123575801608
Energy: 1.7141704783079978
Energy: 1.6954902866598913
Energy: 2.217149702650222
Energy: 2.136643062189942
Energy: 1.8422328819308114
Energy: 1.7241279125198008
Energy: 1.8405583764320692
Energy: 1.9913568023195372
Energy: 1.9602569683903108
Energy: 1.8848336905629917
Energy: 1.9716115328727342
Energy: 1.849513421320089
Energy: 1.8832243530514754
Energy: 1.967802154540461
Energy: 1.9871188637115218
Energy: 2.1025196780070403
Energy: 2.0039340963164824
Energy: 1.960304840782568
Energy: 1.9978857034359259
Energy: 1.981869368555777
Energy: 1.9950151259906324
Energy: 2.0872212642273107
Energy: 1.965277791329064
Energy: 1.9918248712627398
Energy: 1.7274705478686392
Energy: 1.9595933259680103
Energy: 1.9584159027657189
Energy: 2.0578149317749808
Energy: 1.9637487562405596
Energy: 2.1389526962512004
Energy: 2.255922439113164
Energy: 2.069148913449642
Energy: 2.078600257704663
Energy: 1.7126748721404128
Energy: 2.0160679892807596
Energy: 2.0710034027826074

minimum gb energy = 1.679593840516456 eV
minimum distance =  2.17798677643697 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.7380884346981154
Energy: 2.159868791358639
Energy: 1.852771923562398
Energy: 1.9674508751115491
Energy: 1.7083502895276834
Energy: 2.2514319264369322
Energy: 1.7266980415944815
Energy: 1.7031786741922388
Energy: 1.7149040907607926
Energy: 1.6931071244985085
Energy: 1.7139644256752797
Energy: 1.9043708557358885
Energy: 1.882562161378781
Energy: 2.1369949703260156
Energy: 1.7058450971154486
Energy: 1.6928970740693976
Energy: 1.7049204396472049
Energy: 2.121696994476972
Energy: 2.0045431286646633
Energy: 2.127002124291881
Energy: 1.7039320342121786
Energy: 1.7014294091613835
Energy: 1.9302104652866179
Energy: 2.1168902096382243
Energy: 1.9972329273488167
Energy: 2.1287538910325217
Energy: 2.1171497219434263
Energy: 1.72788146292101
Energy: 2.120032006331222
Energy: 2.1313870907416077
Energy: 1.6691413418250676
Energy: 1.6725107304394178
Energy: 2.2491335118675533
Energy: 2.118750931076872
Energy: 1.9896053073153093
Energy: 1.6714192241245098
Energy: 1.657024407206613
Energy: 1.6760283519913792
Energy: 2.1190052947622915
Energy: 1.8905908196531886
Energy: 1.6794574628012402
Energy: 1.6898644945958934
Energy: 1.6576302283398052
Energy: 1.6817093874480067
Energy: 2.117561681577537
Energy: 1.7721625776688525
Energy: 1.6874045004450724
Energy: 1.6615059993464791
Energy: 1.6710798001985867
Energy: 1.665953912572766
Energy: 2.174117731740098
Energy: 2.095825554510425
Energy: 1.9903179236286828
Energy: 1.6655133375347526
Energy: 2.105462363640346
Energy: 2.140001993638343
Energy: 2.114700161722586
Energy: 1.766579123182834
Energy: 2.1295728196978403
Energy: 1.9436824609972618
Energy: 2.252209492240411
Energy: 2.1525353025663514
Energy: 1.7078555129887034
Energy: 1.6958207045594287
Energy: 1.9633462064440104
Energy: 2.0556979316469253
Energy: 1.9940325036023727
Energy: 2.180001407723572
Energy: 1.7052399580139836
Energy: 1.6975718545659553
Energy: 1.7052811563346153
Energy: 2.2226548214245803
Energy: 2.1460254546527753
Energy: 1.7105838754144393
Energy: 1.7093688396495403
Energy: 1.7065680138267505
Energy: 1.7116166401868147
Energy: 2.196853454584287
Energy: 1.9853769353293163
Energy: 1.9484903599542998
Energy: 1.695840361372076
Energy: 1.6987231853419253
Energy: 1.6997449534502809
Energy: 2.239033229075935
Energy: 1.771248412080567
Energy: 1.9017276720828589
Energy: 1.916496055424891
Energy: 1.7095958664264228
Energy: 1.9041131848029065
Energy: 1.9011402503913841
Energy: 2.0032873500962043
Energy: 1.968280950799145
Energy: 1.9013143504571501
Energy: 1.9138534542682342
Energy: 1.9031123233451814
Energy: 1.9217441887733069
Energy: 1.988542419312845
Energy: 1.9034369067062118
Energy: 1.9186271282071223
Energy: 1.937203567044184
Energy: 1.823672862575494
Energy: 1.9117466520213946
Energy: 1.9856083235044177
Energy: 1.9441948492805794
Energy: 1.9279428463245107
Energy: 1.8233083260945906
Energy: 1.924867129608689
Energy: 1.913358847777114
Energy: 1.9578280905452414
Energy: 1.861900347475681
Energy: 2.3350949617672625
Energy: 2.2516628883938266
Energy: 2.203325034295512
Energy: 1.8600042796277783
Energy: 1.6906607726235554
Energy: 1.7131993162587116
Energy: 1.9313598627303168
Energy: 1.821218472582706
Energy: 1.7138042639014153
Energy: 1.721173787646055
Energy: 1.690910473048101
Energy: 1.706519718070734
Energy: 2.13188448084554
Energy: 1.9363664053267249
Energy: 1.7033865240555472
Energy: 1.706073763477439
Energy: 1.6991349062523358
Energy: 1.7017229877281448
Energy: 2.131174354206236
Energy: 2.044610054263795
Energy: 2.125003948283443
Energy: 1.7050466100128825
Energy: 1.72625656616849
Energy: 2.1212546769741265
Energy: 2.1270714055043105
Energy: 1.709873917610673
Energy: 2.1357387018631333
Energy: 2.1148162948289193
Energy: 2.2518609089720485
Energy: 2.203910141302301
Energy: 1.671477910304308
Energy: 1.6713271880978038
Energy: 1.9409512437360368
Energy: 2.249826468250044
Energy: 1.8910938257158187
Energy: 1.9571109630555672
Energy: 1.6804644246108675
Energy: 1.669630144081195
Energy: 1.674901337591913
Energy: 2.244110802989279
Energy: 1.7712026568463237
Energy: 1.9653413282948962
Energy: 1.6850489618193494
Energy: 1.6601567162904
Energy: 1.6797262096383208
Energy: 2.2012863303575965
Energy: 1.9869517501427278
Energy: 2.2056224672371516
Energy: 1.6680448038560762
Energy: 1.669699809923111
Energy: 1.6677430799900423
Energy: 2.134956885532506
Energy: 1.8907927002832892
Energy: 2.1244400644052344
Energy: 2.139138617638207
Energy: 1.9812394043359227
Energy: 2.1406874281933193
Energy: 2.1297739671121643
Energy: 1.6953431396394298
Energy: 1.700793894928175
Energy: 2.127676985026301
Energy: 2.197974312767802
Energy: 2.150079275594508
Energy: 1.7019833759001306
Energy: 1.6952201276072272
Energy: 1.7053931682691177
Energy: 2.15315131785443
Energy: 1.9951137369645535
Energy: 2.007623636343789
Energy: 1.715021690608413
Energy: 1.6935694947890958
Energy: 1.709613417449065
Energy: 1.9035256477299287
Energy: 1.8417662041850276
Energy: 1.7096975539725157
Energy: 1.7186808289347602
Energy: 1.7006448468908975
Energy: 1.6985163351301138
Energy: 2.2969749109211137
Energy: 1.832427403253272
Energy: 1.7085754462554563
Energy: 1.695777287454173
Energy: 1.9958338888089544
Energy: 1.9036637932845966
Energy: 1.9019242604623916
Energy: 1.7670288442928164
Energy: 1.9042932903522616
Energy: 1.914144902055643
Energy: 1.9997885437710403
Energy: 1.9030978618294174
Energy: 1.9221822064926022
Energy: 1.9816452815694365
Energy: 1.9896108243538
Energy: 1.9104437969441586
Energy: 1.8798607462275942
Energy: 1.920685177340168
Energy: 1.910563362724091
Energy: 1.933787289083955
Energy: 1.902278346008487
Energy: 1.9333570200569707
Energy: 1.7266980457919763
Energy: 1.9271172543319282
Energy: 1.939937290943482
Energy: 1.988550542629958
Energy: 1.9268567928648515
Energy: 1.9662031379017708

minimum gb energy = 1.657024407206613 eV
minimum distance =  2.20952603972153 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.6520066276527232
Energy: 1.6837593042085914
Energy: 1.9766960854087718
Energy: 1.9869325839521381
Energy: 2.054875726388186
Energy: 1.6777451066819806
Energy: 1.697490269430711
Energy: 1.7579761771945839
Energy: 1.7002760000889106
Energy: 1.689837979177877
Energy: 1.6950335837138428
Energy: 1.7537464111044563
Energy: 1.7555596094046544
Energy: 1.754764062927981
Energy: 1.6978861104830403
Energy: 1.6942416890386236
Energy: 1.6930092447109573
Energy: 1.750928127754354
Energy: 1.7520962935080069
Energy: 1.7525120757072652
Energy: 1.6825730356892217
Energy: 1.694354738480496
Energy: 1.7601916304146037
Energy: 1.752569870596674
Energy: 1.750650285644648
Energy: 1.760347267667936
Energy: 1.7542554785731654
Energy: 1.6787710852319222
Energy: 1.7564019381636191
Energy: 1.752788017271321
Energy: 1.6943094595760613
Energy: 1.9800736304740385
Energy: 1.6810535654987528
Energy: 1.6578986700478044
Energy: 1.7530256388913819
Energy: 1.6833955152752742
Energy: 1.6953651160185936
Energy: 1.703051799844645
Energy: 1.7543940323674234
Energy: 1.7523441782188804
Energy: 1.9824552197327807
Energy: 1.6954581850437678
Energy: 1.6973566186715987
Energy: 1.7002212267899008
Energy: 1.7517775911229918
Energy: 1.75312428346549
Energy: 1.7559200898596634
Energy: 1.695857805780542
Energy: 1.9839002055955621
Energy: 1.6834667099069407
Energy: 1.7528252339970067
Energy: 1.7519312335512174
Energy: 1.7538684186602929
Energy: 1.6822858763878994
Energy: 1.6906485820434687
Energy: 1.760542485495794
Energy: 1.7529464961738128
Energy: 1.750962153597947
Energy: 1.7554425041067807
Energy: 1.751982091179293

minimum gb energy = 1.6520066276527232 eV
minimum distance =  2.24819837139027 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.184569368564817
Energy: 1.8347752421032388
Energy: 2.0008594444707186
Energy: 1.9767830020581747
Energy: 2.0177330933031072
Energy: 2.1665804932508275
Energy: 1.9605880073358828
Energy: 1.7760031655120256
Energy: 1.8941999381603993
Energy: 1.8553673100002708
Energy: 1.908867735560053
Energy: 1.8307898087255126
Energy: 1.8696572646701806
Energy: 1.8959973674569721
Energy: 1.8868046849423
Energy: 1.8545210621523156
Energy: 1.7742510350591965
Energy: 1.8743745599383093
Energy: 1.879888668932895
Energy: 1.9009028080487032
Energy: 1.8894022995558744
Energy: 1.8666786462618852
Energy: 1.91293019555886
Energy: 1.8834880431924388
Energy: 1.8624831873599517
Energy: 1.8879482520915574
Energy: 1.8528548403327927
Energy: 2.1076157364810753
Energy: 1.8894907305839939
Energy: 1.8843215718675388
Energy: 1.9310167284256412
Energy: 2.123690619491205
Energy: 1.8065053719851842
Energy: 1.8091809748289964
Energy: 2.055907163374864
Energy: 1.9371220085889356
Energy: 2.1311708754727965
Energy: 1.8893194957974155
Energy: 1.8877220745812588
Energy: 1.8638141960314085
Energy: 2.0548432030296415
Energy: 1.8956134549167787
Energy: 2.003086508263417
Energy: 2.0523031333084516
Energy: 1.6662543359242417
Energy: 1.671021299308412
Energy: 1.678816842661956
Energy: 1.889430422156857
Energy: 2.130566942877777
Energy: 1.6661029851900044
Energy: 1.6676002487916426
Energy: 1.6604978852459624
Energy: 1.6614180459810792
Energy: 2.1299701666991897
Energy: 2.1273057703050036
Energy: 1.8324984354342915
Energy: 1.6625633463314273
Energy: 1.6619930269291676
Energy: 1.665894155185622
Energy: 1.9679399851917505
Energy: 2.2293329468888743
Energy: 1.96496331632797
Energy: 1.9938014394486663
Energy: 1.9528371180418536
Energy: 1.961642243311153
Energy: 2.262759476017665
Energy: 2.154439089372358
Energy: 1.957717011512293
Energy: 1.9204859616913799
Energy: 2.1749264639653862
Energy: 2.241241062399782
Energy: 2.1317665379430237
Energy: 1.7597881386594145
Energy: 1.7594642317039098
Energy: 1.9223857431966211
Energy: 2.1754748575068397
Energy: 1.9472002384985632
Energy: 1.7624847563572525
Energy: 1.7449573783812022
Energy: 1.7658602813072897
Energy: 1.8071544312736982
Energy: 2.0191972331848285
Energy: 1.7567498483558812
Energy: 1.7535111795727338
Energy: 1.7598577191625784
Energy: 1.7662029289037793
Energy: 1.6665614617188718
Energy: 2.1170148889365534
Energy: 1.6645513370233092
Energy: 1.7646998943495296
Energy: 1.7675032072470207
Energy: 2.1295359449941587
Energy: 2.128602612380617
Energy: 2.0189012730631237
Energy: 2.124919231954078
Energy: 2.0507297857427353
Energy: 2.18027655304208
Energy: 1.6645099093280686
Energy: 2.15006579066429
Energy: 2.0830740984257132
Energy: 2.1568038209804707
Energy: 2.0469714084899278
Energy: 2.1829373778404326
Energy: 1.670791788468678
Energy: 1.8384557202740894
Energy: 1.7529181982605702
Energy: 1.6669084460764632
Energy: 1.833670653556476
Energy: 1.958962623723972
Energy: 1.8278597611266088
Energy: 1.8339853064729026
Energy: 1.8389782525509053
Energy: 1.8410055296891161
Energy: 1.9491897972321055
Energy: 1.9202536438416824
Energy: 1.9699369434917011
Energy: 1.670560132084737
Energy: 1.8469691032264148
Energy: 1.8233544463724802
Energy: 1.979615410246482
Energy: 1.916103295189404
Energy: 1.97755445273563
Energy: 2.01546423957914
Energy: 1.7442333308046174
Energy: 1.967886467410349
Energy: 1.9708258196319408
Energy: 1.943771628938385
Energy: 1.9479668184709218
Energy: 1.8074007312787619
Energy: 1.6513564826758858
Energy: 2.117407293685761
Energy: 1.9494252923275026
Energy: 2.118528932632807
Energy: 2.120963502461375
Energy: 2.062996137131325
Energy: 2.1107714534061843
Energy: 2.1293828768328114
Energy: 2.121213955096269
Energy: 2.0041088125548665
Energy: 2.208190366349654
Energy: 1.689703571331254
Energy: 1.654954620501179
Energy: 2.0181407126505047
Energy: 2.146882632584913
Energy: 2.14716963374276
Energy: 1.9190098188179268
Energy: 1.6611474998304772
Energy: 1.6538033217248662
Energy: 1.6605356504045143
Energy: 2.1224213966078995
Energy: 2.1330854225684805
Energy: 1.8254864613600719
Energy: 1.6632347715456233
Energy: 1.6594953182640746
Energy: 1.6672581408123854
Energy: 1.946413459326686
Energy: 2.2288831300749115
Energy: 1.8773678806751335
Energy: 1.6737788174288701
Energy: 1.6710314322970017
Energy: 1.8181625709339335
Energy: 2.256742092941789
Energy: 2.1345008958859313
Energy: 1.7607890653652127
Energy: 1.8523709232255803
Energy: 2.1656872399891784
Energy: 1.8428882003681668
Energy: 1.7613833469860274
Energy: 1.6765279113805587
Energy: 1.682815840004815
Energy: 2.1023357628137784
Energy: 1.6691870838170486
Energy: 2.006111636519487
Energy: 1.683345594735086
Energy: 1.6711569809845408
Energy: 1.6718483081228785
Energy: 1.6830206770088765
Energy: 2.139190003384918
Energy: 1.6767226788468381
Energy: 1.6821651269049926
Energy: 1.6748137397674714
Energy: 1.6733106921496244
Energy: 1.8650969802717992
Energy: 2.124801159347505
Energy: 1.6711350779872707
Energy: 1.6864712116963474
Energy: 1.6786076201864146
Energy: 1.81185795748821
Energy: 2.2021519846905555
Energy: 2.1889333122554793
Energy: 2.1963046910123416
Energy: 1.6886312588830956
Energy: 1.9640129598422609
Energy: 2.107782272515103
Energy: 1.8703992334998023
Energy: 2.13165930471465
Energy: 1.8868137520523243
Energy: 2.0193210609316563

minimum gb energy = 1.6513564826758858 eV
minimum distance =  2.20744770981238 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 2.3358872255905583
Energy: 2.1799085992811555
Energy: 1.9711347211160286
Energy: 1.9677683750845687
Energy: 2.365576566375124
Energy: 2.1809042949849986
Energy: 1.9595522159426235
Energy: 1.8008251904989014
Energy: 1.9686548711931742
Energy: 1.8790659588154646
Energy: 1.9828335449879066
Energy: 1.8086667996934682
Energy: 1.865502061038986
Energy: 1.6837955794059432
Energy: 1.9418506778779188
Energy: 1.8886093919889724
Energy: 1.8980074686015935
Energy: 1.884923574786755
Energy: 1.9068281011083619
Energy: 1.9338525755279108
Energy: 1.924209594185604
Energy: 1.8360491745987204
Energy: 1.7031532939170737
Energy: 1.92439936921364
Energy: 1.8604228096141897
Energy: 1.9338708034316832
Energy: 1.9174236026587967
Energy: 1.8838403791616456
Energy: 1.9194815572032984
Energy: 1.898826636157591
Energy: 1.9161968613762728
Energy: 1.9410869161437494
Energy: 2.4113291762893643
Energy: 1.991450169662851
Energy: 1.8955968210348113
Energy: 1.9270532920801156
Energy: 2.174238850246068
Energy: 2.1726415808392354
Energy: 2.274405605171796
Energy: 1.7906804513629675
Energy: 2.268736129674296
Energy: 1.9203809970500998
Energy: 2.185172910793164
Energy: 2.1607493850178963
Energy: 1.7594593024708383
Energy: 1.7582222114799215
Energy: 1.7534844543254824
Energy: 2.2664946889785136
Energy: 2.0683868185956023
Energy: 1.7512032790165588
Energy: 1.754324881834631
Energy: 1.7475346156929212
Energy: 1.7646266675338877
Energy: 2.1023503024144743
Energy: 2.004358602173616
Energy: 1.6698979921418575
Energy: 1.7803269866941067
Energy: 1.7357220989340072
Energy: 1.7670977044146146
Energy: 1.6445748569057963
Energy: 2.0862918103386794
Energy: 2.260121786729778
Energy: 2.269115034274096
Energy: 1.7321656439534907
Energy: 2.271040765032268
Energy: 1.8791073575820199
Energy: 2.0894211665721074
Energy: 1.9006003198690218
Energy: 1.6371488484972259
Energy: 2.0592711010593443
Energy: 1.6172835387595892
Energy: 2.1223822079003116
Energy: 1.8606445097823252
Energy: 1.655476564346245
Energy: 1.636488359829072
Energy: 2.058582580499164
Energy: 1.6087439154634438
Energy: 1.8978706644818883
Energy: 1.944976075985465
Energy: 1.859938957658764
Energy: 1.8389638765580656
Energy: 1.960442042824518
Energy: 1.85124594745383
Energy: 1.851626693946342
Energy: 1.7354548664495402
Energy: 1.8599656404146854
Energy: 2.0378994662069934
Energy: 1.9548199124153853
Energy: 1.9499429762549283
Energy: 1.612177474526813
Energy: 1.7446959812615757
Energy: 2.0332259676253512
Energy: 2.030973502862082
Energy: 1.9731127200400365
Energy: 2.0436616928975133
Energy: 1.8618692508754013
Energy: 2.1406042780243264
Energy: 2.190399501834589
Energy: 1.971389049919205
Energy: 2.005629874665591
Energy: 1.9716493213348978
Energy: 2.0145528524074736
Energy: 2.140248312889881
Energy: 1.9584358448948966
Energy: 2.2259836054964497
Energy: 2.1175579341839494
Energy: 2.26703221026644
Energy: 1.8620580731601677
Energy: 1.6329610729661475
Energy: 1.6436089249659243
Energy: 2.2657970538255467
Energy: 2.281800054570225
Energy: 2.326930423868318
Energy: 1.6479891321790245
Energy: 1.6269714061435858
Energy: 1.66044658014024
Energy: 2.1612556508110594
Energy: 2.128981016167946
Energy: 1.640189498790555
Energy: 1.6465704922248876
Energy: 1.6454708597804746
Energy: 1.669842973438698
Energy: 1.9555458582625804
Energy: 2.1524454872557763
Energy: 1.6431961093485552
Energy: 1.664764986013885
Energy: 1.6383358195072677
Energy: 1.6517548047964954
Energy: 2.3556613838685325
Energy: 1.8792663415019233
Energy: 2.2817189245843945
Energy: 1.6534361804622275
Energy: 1.9559028485813155
Energy: 1.817839937807397
Energy: 1.9831920900959044
Energy: 2.1476190766687613
Energy: 1.9816045766103718
Energy: 1.8003902512586434

minimum gb energy = 1.6087439154634438 eV
minimum distance =  2.23482057995604 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.3030850123404414
Energy: 2.3613348797516136
Energy: 1.999783928979002
Energy: 1.9997808300496664
Energy: 1.9972081828383053
Energy: 2.404006652243269
Energy: 1.7986821380671494
Energy: 1.849707722353971
Energy: 1.9904040207518117
Energy: 1.9520521223434004
Energy: 2.0866899881624192
Energy: 1.8330066890039824
Energy: 1.6715560847449185
Energy: 1.715755060870494
Energy: 2.0597917832577552
Energy: 1.846479443515745
Energy: 1.8455048514097703
Energy: 1.6995264373500263
Energy: 1.6772700024367027
Energy: 1.7001070936684997
Energy: 1.9064034535289007
Energy: 1.9652688291164113
Energy: 1.6749234617314797
Energy: 1.6952347354416146
Energy: 1.6664777103922956
Energy: 1.7097006137095854
Energy: 1.8699673836214599
Energy: 1.9656544455572884
Energy: 1.70647776934426
Energy: 1.7000241229720718
Energy: 1.6589690405835509
Energy: 1.9565598791658607
Energy: 2.1489667611739702
Energy: 2.0291317496961434
Energy: 2.143308566209639
Energy: 1.6898539060052162
Energy: 2.0754311754950847
Energy: 1.6964151244625547
Energy: 2.130073057946412
Energy: 1.977224960232709
Energy: 1.835422534890637
Energy: 1.8262506985343183
Energy: 2.0740619260463604
Energy: 1.7117865357332824
Energy: 1.6902784104463557
Energy: 1.6548844997503325
Energy: 1.683960232921213
Energy: 1.8529596065429002
Energy: 1.9748495411741274
Energy: 1.6753746359113977
Energy: 1.6988264608307837
Energy: 1.6557322573494773
Energy: 1.6965426577959166
Energy: 1.965530095080882
Energy: 1.9393376775951636
Energy: 1.8285971923887343
Energy: 1.709819038797852
Energy: 1.6603174317818736
Energy: 1.695085675390234
Energy: 2.1042169926407843
Energy: 1.9443540216958983
Energy: 2.044916682753133
Energy: 1.707930131574936
Energy: 1.6599560937781497
Energy: 1.8529496293183871
Energy: 2.037394303635788
Energy: 1.9382618106317206
Energy: 1.9628438875847376
Energy: 1.5539429532417661
Energy: 1.9695527852793149
Energy: 1.931290088953873
Energy: 1.9620781639152773
Energy: 2.13789198685382
Energy: 2.2418330488721683
Energy: 1.5561511370391223
Energy: 1.8583944670568546
Energy: 1.795734071625681
Energy: 2.130610934731669
Energy: 2.1045795124770446
Energy: 2.0443200880849797
Energy: 1.6905502341670589
Energy: 1.5421609766452393
Energy: 1.715354720063861
Energy: 2.2177780619704714
Energy: 2.0904385300214776
Energy: 1.5520572496022516
Energy: 1.5555625671518891
Energy: 1.5272693500879384
Energy: 1.5517094842491546
Energy: 2.105942977610732
Energy: 2.0768649158919743
Energy: 1.5404103464580692
Energy: 1.5438734538316383
Energy: 1.5322284963195383
Energy: 1.5397828723635318
Energy: 2.094047306770683
Energy: 1.9886312758039353
Energy: 1.993805802611421
Energy: 1.5540794907276905
Energy: 1.5320235170416139
Energy: 1.5517561246430311
Energy: 2.0794037405730372
Energy: 2.0985179735908575
Energy: 2.044524470423903
Energy: 1.845542232190357
Energy: 1.6722649290315537
Energy: 1.8477961733073527
Energy: 1.9466633490197631
Energy: 2.001358260325597
Energy: 2.0648613592981535
Energy: 1.822268253145075
Energy: 2.405287997345114
Energy: 2.2412574954427926
Energy: 1.9890246335855764
Energy: 1.9505489189423733
Energy: 2.1317970638610966
Energy: 1.742081970838551
Energy: 1.7991730507010122
Energy: 1.8467839844399045
Energy: 1.9621825928045815
Energy: 1.8094012377105193
Energy: 2.0624807107567475
Energy: 1.7631478559849012
Energy: 1.670589253913638
Energy: 1.8232996232469463
Energy: 2.0304627217593882
Energy: 1.960200784999532
Energy: 1.716767376404786
Energy: 1.7056490149851347
Energy: 1.6916794533276418
Energy: 1.6895132888774294
Energy: 1.9701974616237756
Energy: 1.9932749939386765
Energy: 1.7078426866426215
Energy: 1.7088423620428292
Energy: 1.6671114574017374
Energy: 1.7068881283509598
Energy: 2.129560693176611
Energy: 2.0967813010266627
Energy: 2.3989501189714826
Energy: 1.6914605462532049
Energy: 1.6844038159028816
Energy: 1.922635770996308
Energy: 2.3274189515603996
Energy: 1.9958298266828507
Energy: 1.9123554568877794
Energy: 1.716509113788875
Energy: 2.0762727344537044
Energy: 1.706111177448968
Energy: 2.0931836210376007
Energy: 1.6548976307725138
Energy: 1.6859409464820418
Energy: 2.407939350066331
Energy: 2.1718532965057755
Energy: 1.9902236311885433
Energy: 1.6936209452104622
Energy: 1.6579289968525859
Energy: 1.7092738109145544
Energy: 1.7235367787001439
Energy: 1.9733394383563962
Energy: 1.6763575152238266
Energy: 1.699888440585665
Energy: 1.6530650441070267
Energy: 1.7603240349820473
Energy: 1.864254033776431
Energy: 1.9400836577980805
Energy: 1.8449511997930461
Energy: 1.6959578261776636
Energy: 1.6572426371811018
Energy: 1.7025182730353425
Energy: 2.039913578309366
Energy: 2.0366346742459474
Energy: 2.048440602128401
Energy: 1.6864199081650824
Energy: 1.9649342618920582
Energy: 1.7140671408069996
Energy: 1.9616910086481136
Energy: 1.9392709420011216
Energy: 1.9827280636394526
Energy: 1.696198761535648
Energy: 1.9769386450404207
Energy: 1.5452189096340707
Energy: 2.1282076754836488
Energy: 2.1255720630610853
Energy: 2.1558171197754707
Energy: 1.6887001865536948
Energy: 1.658756111963557
Energy: 1.8227555877200432
Energy: 2.0407622507301917
Energy: 2.1016725212677203
Energy: 2.050300457752558
Energy: 1.6832029899819356
Energy: 1.5246397632075637
Energy: 1.5541349357279444
Energy: 2.019906288907982
Energy: 2.0952938994367107
Energy: 1.5530304325752446
Energy: 1.5495126691515448
Energy: 1.5332410026417658
Energy: 1.552045338176276
Energy: 1.5394960603163588
Energy: 2.0795686528790025
Energy: 1.54008354150546
Energy: 1.5361447000823352
Energy: 1.530499468623803
Energy: 1.5443806838802867
Energy: 2.0630394409247264
Energy: 2.0988098391600167
Energy: 1.6876511213619403
Energy: 1.5465974713465354
Energy: 1.658888158834978
Energy: 1.8475564748868973
Energy: 2.084280706278887
Energy: 1.9396485516990907
Energy: 1.9987357944495545
Energy: 1.7099467732971894
Energy: 2.0729660858757883
Energy: 1.74010861332556
Energy: 2.127077457803639
Energy: 2.02457150159703
Energy: 2.2409428046206377
Energy: 2.4052733969086084

minimum gb energy = 1.5246397632075637 eV
minimum distance =  2.25555684509671 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 2.352977077788823
Energy: 2.212120230304425
Energy: 1.6921605241339517
Energy: 1.7094507660398555
Energy: 1.6904941362053647
Energy: 2.2041234880045772
Energy: 2.0360287903493135
Energy: 1.3551086990549368
Energy: 1.3715944929689836
Energy: 1.7598607163183602
Energy: 1.3601359896507828
Energy: 1.7057191636938203
Energy: 1.6774084335842194
Energy: 1.3689652837676485
Energy: 1.3861351414879681
Energy: 1.3096339470036347
Energy: 1.3584166762129484
Energy: 1.7205595456531164
Energy: 1.711095919709428
Energy: 1.7890017571639882
Energy: 1.389373052945928
Energy: 1.6764553730503997
Energy: 1.3898225018778847
Energy: 1.7623580579013636
Energy: 1.675074086910228
Energy: 1.6882960498564177
Energy: 1.7764041813189237
Energy: 1.7734859808609003
Energy: 1.7988633381475914
Energy: 1.6850118936901013
Energy: 1.6836618372765493
Energy: 1.7037465737938964
Energy: 2.2032055794616237
Energy: 1.7604642166572386
Energy: 2.185388327851246
Energy: 1.6947853762510516
Energy: 2.0330814802292605
Energy: 1.7681577517093612
Energy: 1.3720665694296004
Energy: 1.682452960843578
Energy: 1.7644318900685463
Energy: 2.2048286061945377
Energy: 2.0336928934152687
Energy: 1.7926953458791517
Energy: 1.682473795499581
Energy: 1.6774938666024197
Energy: 1.3664295057041052
Energy: 2.217713837253736
Energy: 1.6928351492114153
Energy: 1.3703906168067026
Energy: 1.3711806135042446
Energy: 1.3092430954168215
Energy: 1.3658483260878893
Energy: 1.7066767146126949
Energy: 1.6808012475391456
Energy: 1.3665989452363965
Energy: 1.3722148755551873
Energy: 1.7575322877076893
Energy: 1.3652552396174915
Energy: 1.7702829493835002
Energy: 1.6801398235501093
Energy: 1.7912144603382325
Energy: 1.3714662832723457
Energy: 1.6927382856059714
Energy: 1.7868929904558222
Energy: 1.7644407539231097
Energy: 1.6727662768320164
Energy: 1.6772318752506536
Energy: 1.367038571136783
Energy: 1.7547757131449053
Energy: 1.3649228719004198
Energy: 1.6867585549626325
Energy: 1.6789907303219336
Energy: 1.6763870408466628
Energy: 1.3663832232364963
Energy: 1.7690755900531552
Energy: 1.3653792262539992
Energy: 1.695418435593807
Energy: 2.042895162883517
Energy: 1.7910887450089448
Energy: 1.7000030507587152
Energy: 1.6915768392088475
Energy: 1.3678399062868731
Energy: 2.2116546257483396

minimum gb energy = 1.3092430954168215 eV
minimum distance =  2.25144459463929 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.2915535992036284
Energy: 1.8897930247046795
Energy: 1.8096798477841964
Energy: 1.8196808116179528
Energy: 1.8110905933459742
Energy: 2.41313273055215
Energy: 1.5794349282167655
Energy: 1.8400744373359896
Energy: 1.7951576530440354
Energy: 2.0233908793420143
Energy: 1.8580131419574695
Energy: 1.6287899597558324
Energy: 1.6007335577042963
Energy: 1.6059314765040638
Energy: 1.8618877807492231
Energy: 1.9734475309836375
Energy: 1.8288233481898257
Energy: 1.595781560366769
Energy: 1.5937347165935647
Energy: 1.6263190649007981
Energy: 1.8362354008830313
Energy: 1.8991963791734856
Energy: 1.6125915074523263
Energy: 1.6094971198757266
Energy: 1.583372589503576
Energy: 1.6334814134175932
Energy: 1.774887606847333
Energy: 2.0332785825571063
Energy: 1.614727197889879
Energy: 1.6070199895304755
Energy: 1.5848498544824803
Energy: 1.6115423735418524
Energy: 2.1985733624601744
Energy: 2.0195789743824495
Energy: 2.1970675841796976
Energy: 1.5914079424016927
Energy: 1.7884313118784396
Energy: 1.7681420737259115
Energy: 1.945857371315664
Energy: 1.9807479545275466
Energy: 2.050651814149744
Energy: 1.9828316919417293
Energy: 1.795325343935559
Energy: 1.8036348004317644
Energy: 1.8064885619618694
Energy: 1.7925044303149618
Energy: 1.8035853967644924
Energy: 2.203274070956778
Energy: 1.5811406969488702
Energy: 1.5971106896400504
Energy: 2.222946077460409
Energy: 2.172198065836331
Energy: 1.7758521350259107
Energy: 1.592811131387854
Energy: 1.7161852891283627
Energy: 1.7340450359677326
Energy: 1.7747742326002378
Energy: 2.1721328657843695
Energy: 1.7742264612691716
Energy: 1.7331025423943136
Energy: 1.7290980415301194
Energy: 1.7984414850502566
Energy: 1.8164645157898112
Energy: 1.756252186160149
Energy: 1.7874231579312803
Energy: 1.8004355988944731
Energy: 1.7288207106171212
Energy: 1.7685597796547528
Energy: 1.7978009389753449
Energy: 1.7202619083656627
Energy: 1.7878443018008234
Energy: 1.7577264776951498
Energy: 1.7540958030390723
Energy: 1.804919353689736
Energy: 1.762575043728489
Energy: 1.7235066213146155
Energy: 1.801415775862602
Energy: 1.8149460488359772
Energy: 2.020134543063299
Energy: 1.7309433494278714
Energy: 1.738012585530443
Energy: 1.7154970234963614
Energy: 1.742460494391721
Energy: 1.8597672281077553
Energy: 1.7533969812835644
Energy: 1.8125033797547334
Energy: 1.6113933016727724
Energy: 1.5805009475642702
Energy: 2.0686034412575847
Energy: 2.026024646457669
Energy: 1.8128772244379767
Energy: 1.7971108818668868
Energy: 1.8499906688092467
Energy: 2.407191154989385
Energy: 1.8020755704664282
Energy: 1.8082016042579852
Energy: 2.0194787341475715
Energy: 1.8021216879638209
Energy: 1.8436627261457559
Energy: 1.570475534404834
Energy: 1.8529154706782072
Energy: 2.020716300254767
Energy: 1.8659512211000437
Energy: 1.8280981502216105
Energy: 1.6055046676753033
Energy: 1.6033931493336384
Energy: 1.6108501013775456
Energy: 1.9760001247929493
Energy: 1.9851292042219242
Energy: 1.6134057480677586
Energy: 1.6245603744911528
Energy: 1.593084585127152
Energy: 1.612022660291836
Energy: 2.0134984940249003
Energy: 2.0292740285918516
Energy: 1.613755501045325
Energy: 1.6275180083572407
Energy: 1.5952533761901182
Energy: 1.6115309797603834
Energy: 1.8490805783048403
Energy: 2.0436205759747934
Energy: 2.1933720924331945
Energy: 1.600764165496374
Energy: 1.5840670364236134
Energy: 1.6120351151330052
Energy: 2.199827565714732
Energy: 1.905359933202277
Energy: 1.9432795947910002
Energy: 1.8199850972797207
Energy: 1.8868943782700593
Energy: 1.771713504339713
Energy: 1.9842385202747608
Energy: 1.7927698058775876
Energy: 1.8045583006770232
Energy: 2.1934985438922014
Energy: 2.021089139480911
Energy: 2.05062383454236
Energy: 1.7944941545073814
Energy: 2.16912019279265
Energy: 2.2252394076834685
Energy: 1.5992957463866952
Energy: 1.5789713847642786
Energy: 2.1201883891369238
Energy: 2.4313609579621516
Energy: 2.1727420709184515
Energy: 1.775249248357343
Energy: 1.7345266970320696
Energy: 1.7144744734709882
Energy: 1.734347159162562
Energy: 2.4340615869919175
Energy: 1.75925219263237
Energy: 1.8678050069712018
Energy: 1.8079440159556006
Energy: 1.7278566531327222
Energy: 1.8098723692520027
Energy: 1.7969543852014491
Energy: 1.7229724223184033
Energy: 1.8085288996490225
Energy: 1.8121351109020454
Energy: 1.7331903230516874
Energy: 1.7707634787176851
Energy: 1.7639117071047945
Energy: 1.7224056427710148
Energy: 1.8082303509771753
Energy: 1.6602398433356371
Energy: 1.7228303714926727
Energy: 1.7995522407971096
Energy: 1.7616484572554008
Energy: 1.7123550426541045
Energy: 1.7381753313498978
Energy: 1.8610136645766364
Energy: 1.990245544921014
Energy: 1.7440151065398652
Energy: 1.733502904977607
Energy: 1.6013426101388406
Energy: 1.9924719554486237
Energy: 1.8109988548625928
Energy: 1.9056233501910567
Energy: 2.090529243198128
Energy: 1.5922368181482744
Energy: 1.9257533693415294
Energy: 1.796798463983225
Energy: 1.8029680823623662
Energy: 1.9998814176859538
Energy: 1.7978527286273103
Energy: 1.8775512398660845

minimum gb energy = 1.570475534404834 eV
minimum distance =  2.20618193423855 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.704797520475492
Energy: 2.432682461325698
Energy: 1.8156041921558936
Energy: 1.8786089735114038
Energy: 1.9066814399460394
Energy: 2.439881944561268
Energy: 1.7698180506517915
Energy: 1.746464497301477
Energy: 1.783243932294251
Energy: 1.7317094762882954
Energy: 1.7651650678869224
Energy: 1.7541893698028939
Energy: 1.6632604403993623
Energy: 1.7248552177981424
Energy: 1.76390755159734
Energy: 1.7352892255591816
Energy: 1.7312887196383113
Energy: 1.6981455845764366
Energy: 1.6761530312134083
Energy: 1.7302542816694502
Energy: 1.6991618201978742
Energy: 1.7286325123505903
Energy: 1.7151223385489398
Energy: 1.700272103508301
Energy: 1.6661328518783238
Energy: 1.7204034331697748
Energy: 1.7456551306854091
Energy: 1.7240934412213558
Energy: 1.7322970833143312
Energy: 1.698072741996566
Energy: 1.785948761153696
Energy: 1.7560678997753305
Energy: 2.0787928290822286
Energy: 1.734900689537289
Energy: 2.101389839639599
Energy: 1.729763121937008
Energy: 1.7164179861036104
Energy: 1.788755274275304
Energy: 1.730962061208295
Energy: 1.7230261877951147
Energy: 1.7885544654125034
Energy: 1.7506310226088868
Energy: 1.7169846837347782
Energy: 1.7635428701244351
Energy: 1.7858058489048074
Energy: 1.729462968350996
Energy: 1.776159557114563
Energy: 1.7555899839740092
Energy: 1.7836351390393004
Energy: 1.7504938876460423
Energy: 1.8083922994641806
Energy: 1.768934731840774
Energy: 2.079661351328083
Energy: 1.7892466956820674
Energy: 1.722622160103019
Energy: 1.7357129613386346
Energy: 1.813113477088608
Energy: 1.7688032630521704
Energy: 1.761345869616417
Energy: 1.7418048469731073
Energy: 1.6458989771429764
Energy: 1.750491057685201
Energy: 1.7284017042236244
Energy: 1.7299700717434119
Energy: 1.805074948026573
Energy: 1.7498876212697123
Energy: 1.6491653399851964
Energy: 1.7628840278367008
Energy: 1.7149324772095624
Energy: 1.6676980368907877
Energy: 1.7431953308867243
Energy: 1.7624763381816408
Energy: 1.7790010186986644
Energy: 1.7161263187104208
Energy: 1.7253632248276856
Energy: 1.6720662027445001
Energy: 1.7324439772092377
Energy: 1.7444995094357907
Energy: 1.7302466197723758
Energy: 1.7426495936151467
Energy: 1.6936536892296692
Energy: 1.6629670851090117
Energy: 1.7555240723819348
Energy: 2.079920139066592
Energy: 1.7342827446859175
Energy: 1.788683683324514
Energy: 1.7531031077281503
Energy: 1.8103070350011188
Energy: 2.087529311898304
Energy: 1.7358577475733876
Energy: 1.9046196972123184
Energy: 1.917398283797634
Energy: 1.7497013828243821
Energy: 2.0776210896455276
Energy: 1.7527310765325848
Energy: 1.9137567746027049
Energy: 1.7722457209725997
Energy: 1.734398751237773
Energy: 1.749951390235694
Energy: 1.7835894034627675
Energy: 1.789622844580809
Energy: 1.7322416206504947

minimum gb energy = 1.6458989771429764 eV
minimum distance =  2.25269586674718 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 3.1669778277788887
Energy: 1.8471215666649043
Energy: 1.9324494125357339
Energy: 1.9379445198973713
Energy: 1.9209035328111743
Energy: 2.3071282052410766
Energy: 1.7448200639868343
Energy: 1.9423351526326407
Energy: 1.8332451114993618
Energy: 1.936033226846425
Energy: 2.1538165618520306
Energy: 1.828209865977584
Energy: 1.7800836230418593
Energy: 1.8129824556299647
Energy: 2.0676121146632602
Energy: 2.068375265604762
Energy: 1.939994863142266
Energy: 1.8123205472372734
Energy: 1.796618927227253
Energy: 1.9087351078899424
Energy: 1.9085030146843958
Energy: 1.9054193223292775
Energy: 1.9169482031431833
Energy: 1.8224975787630615
Energy: 1.7964732433676442
Energy: 1.912059210537674
Energy: 1.97388457309535
Energy: 1.8070640858010307
Energy: 1.8613009104128897
Energy: 1.8767391141754253
Energy: 1.7994839966644147
Energy: 1.8589259695711102
Energy: 1.9093007187669417
Energy: 1.8007147698520114
Energy: 1.9103977678842432
Energy: 1.8352544882698631
Energy: 1.8516318666048976
Energy: 1.997119508442459
Energy: 1.7931982931046415
Energy: 1.8403916321032026
Energy: 1.815763070150353
Energy: 2.0142355889779076
Energy: 1.8593107186247582
Energy: 2.3731322628136495
Energy: 1.7644435439382387
Energy: 1.7910648029000664
Energy: 1.7566854791958966
Energy: 1.8967098676295933
Energy: 1.7973723092869058
Energy: 1.734384892884702
Energy: 1.9140866062500432
Energy: 1.7648766397410216
Energy: 1.971804433249825
Energy: 1.8660593269301076
Energy: 1.7355787043049502
Energy: 1.7171717087544052
Energy: 1.938857142857132
Energy: 1.8639973315104748
Energy: 1.9051828578294145
Energy: 1.748167077409926
Energy: 1.7084052065420248
Energy: 2.178775531226342
Energy: 1.7657752720045756
Energy: 1.7657925374492327
Energy: 1.758869065174462
Energy: 1.9580810755076603
Energy: 1.7079883748518123
Energy: 1.9727789527855373
Energy: 1.7935959063858988
Energy: 1.7984959295622927
Energy: 1.7595601913836392
Energy: 1.9670534162591191
Energy: 1.7245553925406
Energy: 1.737571296300024
Energy: 1.8929906160690557
Energy: 1.8821323121489877
Energy: 1.955383176361123
Energy: 1.73633732431585
Energy: 1.828256462360196
Energy: 1.8938751371373892
Energy: 1.8822111995701405
Energy: 1.8812152714797632
Energy: 1.8934165893429882
Energy: 1.8706291580503196
Energy: 1.8471121279472817
Energy: 1.9832567941839658
Energy: 1.7798499350874666
Energy: 1.7579846824775982
Energy: 1.8210001877652913
Energy: 1.9597292629227614
Energy: 1.8322134251549635
Energy: 1.9023316071494687
Energy: 1.8747097451057426
Energy: 1.9022758107000968
Energy: 1.895481080871734
Energy: 1.9115955455659133
Energy: 1.8154124549598138
Energy: 1.9502440455474543
Energy: 1.837702753455907
Energy: 1.808723315220817
Energy: 1.9422302091265995
Energy: 1.9223788367241992
Energy: 1.804604711792727
Energy: 1.893710749592095
Energy: 1.7754772349019425
Energy: 1.772957059945176
Energy: 1.9055553659750342
Energy: 2.282719493804739
Energy: 1.8130659171389267
Energy: 1.8044847095282999
Energy: 1.9224320558084174
Energy: 1.9807810992571668
Energy: 2.0291523279341677
Energy: 1.805559253605885
Energy: 2.001347064399561
Energy: 1.785570767644677
Energy: 2.2312918264164083
Energy: 2.420073585979012
Energy: 2.036849200879258
Energy: 1.7913760514661479
Energy: 1.7433566742956434
Energy: 2.1568096055277044
Energy: 1.884708410162174
Energy: 1.9014800697818557
Energy: 1.9073672561464834
Energy: 1.805998064736092

minimum gb energy = 1.7079883748518123 eV
minimum distance =  2.22469967753027 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.328807362318722
Energy: 1.6989942174654773
Energy: 1.7599783323642593
Energy: 1.7595986081241666
Energy: 1.75157902229005
Energy: 2.52130042906947
Energy: 1.6973918240926622
Energy: 1.88132011363607
Energy: 1.7481401117166284
Energy: 1.7244759367482074
Energy: 2.045222213944879
Energy: 1.7464237894915113
Energy: 1.7002087909899732
Energy: 1.7206787713913885
Energy: 1.9704259915872864
Energy: 1.9633296098334507
Energy: 1.8631549101038696
Energy: 1.7277587009310482
Energy: 1.69468417113423
Energy: 1.941726886043616
Energy: 1.7470752439882558
Energy: 1.73080932572461
Energy: 1.9474049925109729
Energy: 1.7234633946680293
Energy: 1.6968010321150095
Energy: 1.8885293801332301
Energy: 1.7576827813708114
Energy: 1.703136854395827
Energy: 1.8561075254926886
Energy: 1.872438702711152
Energy: 1.6942252355069758
Energy: 1.8970761635868887
Energy: 1.809051835494075
Energy: 1.7036321234354757
Energy: 1.8195136355013561
Energy: 1.6992351919599045
Energy: 1.696573055384635
Energy: 1.8880831790822574
Energy: 1.7603945721802425
Energy: 1.7644569760255309
Energy: 1.770177930839546
Energy: 1.9072294012481228
Energy: 1.69653576299688
Energy: 1.9040064369675966
Energy: 1.7490149436385407
Energy: 1.709754467867455
Energy: 1.8761267252605682
Energy: 1.9060322635556863
Energy: 1.685623144934628
Energy: 1.71449853868798
Energy: 1.9378545371685285
Energy: 1.7291039774673194
Energy: 1.8962935243662111
Energy: 1.722959188132556
Energy: 1.6952918588885282
Energy: 1.726021478671665
Energy: 2.065829547414433
Energy: 1.7249890367943312
Energy: 2.0451496577125656
Energy: 1.6992055410296534
Energy: 1.6989142431402857
Energy: 2.0313655121395526
Energy: 1.7078950833336524
Energy: 1.7025458593666258
Energy: 1.7091694057164206
Energy: 2.2386946332085422
Energy: 1.6930586603594822
Energy: 2.0464625813071353
Energy: 1.766843601072279
Energy: 1.6942863069505347
Energy: 1.7096508349774837
Energy: 2.046417111890102
Energy: 1.7570578112717579
Energy: 1.7029830126692183
Energy: 2.0351807681024447
Energy: 1.6710899560567258
Energy: 1.7477884103223171
Energy: 1.6979007586152826
Energy: 1.7252880219810824
Energy: 1.7463443795945184
Energy: 2.0588318154461396
Energy: 1.7673810377971024
Energy: 2.0456850714346135
Energy: 1.7081642156872312
Energy: 1.6724002396358602
Energy: 1.8647502349029488
Energy: 1.7267134859096096
Energy: 1.6959551019063825
Energy: 1.7246980239895604
Energy: 1.975925748362749
Energy: 1.6717249145716813
Energy: 1.9358049695612205
Energy: 1.7272480329129634
Energy: 1.7141175883989759
Energy: 1.7205351067724186
Energy: 1.745301968140055
Energy: 1.6985495413736362
Energy: 1.8526596662235997
Energy: 1.8970142619143955
Energy: 1.767298790148154
Energy: 1.8865751570423905
Energy: 1.85425091201149
Energy: 1.706556343074957
Energy: 1.765029513611024
Energy: 1.8952808611957255
Energy: 1.7009320011593982
Energy: 1.8884427074490586
Energy: 1.7564146800145557
Energy: 1.7078899199391495
Energy: 1.7668542838633041
Energy: 1.8951093359231423
Energy: 1.69206973117335
Energy: 1.9079123866159013
Energy: 1.7559298452050656
Energy: 1.7097376986094515
Energy: 1.985625750284918
Energy: 1.8678010508444742
Energy: 1.8738750992751674
Energy: 1.9020197299598292
Energy: 1.7535762869735123
Energy: 1.7276463765440104
Energy: 1.931876707235696
Energy: 1.7344136539122814
Energy: 1.7147990817784737
Energy: 1.9327894338051983
Energy: 1.8830277047093074
Energy: 1.6942263647505882
Energy: 1.8591084881611186
Energy: 1.7250593947459263
Energy: 1.6969421711053618
Energy: 1.7251649596438376
Energy: 2.299130432924476
Energy: 1.7322749871966512
Energy: 1.710238325230194
Energy: 2.055968491276772
Energy: 1.6973227886365423
Energy: 2.0337941951972494
Energy: 1.7038700821869566
Energy: 1.6941923506683312
Energy: 1.6991011948465538
Energy: 1.8500494435255646
Energy: 1.6952775733563052
Energy: 1.7436432832021265
Energy: 1.6973055247189333
Energy: 1.7663053244748614
Energy: 2.058052818816759
Energy: 1.7678595089475124
Energy: 1.7349325191589073
Energy: 1.755637201754937
Energy: 1.9656418866233385

minimum gb energy = 1.6710899560567258 eV
minimum distance =  2.24559877221115 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.959618775917219
Energy: 1.6186420839189297
Energy: 1.6801312242136428
Energy: 1.6935448018809836
Energy: 1.680985925146621
Energy: 1.645260800212132
Energy: 1.667623887332795
Energy: 1.8254082205728186
Energy: 1.7792329178889543
Energy: 1.6660375704548018
Energy: 2.0608771523247245
Energy: 1.7794095828431904
Energy: 1.6344707570740973
Energy: 1.667068433080571
Energy: 1.97781176800852
Energy: 1.9788059369185953
Energy: 1.6714504794076936
Energy: 1.667690194607041
Energy: 1.6069241952039708
Energy: 1.9487538100367812
Energy: 1.8774865086089796
Energy: 1.6655665323103515
Energy: 1.952425639911064
Energy: 1.6658253140116763
Energy: 1.66832861077329
Energy: 1.8786842697105461
Energy: 1.7055211675513757
Energy: 1.6745249516290872
Energy: 1.785979209390166
Energy: 1.8934499624166576
Energy: 1.6019451900105526
Energy: 1.757676948324326
Energy: 1.777029627655923
Energy: 1.6208915878790215
Energy: 1.8199881010900494
Energy: 1.6100720206056682
Energy: 1.624541223972664
Energy: 1.8206498995566884
Energy: 1.7427616438111961
Energy: 1.742009052682626
Energy: 1.7933755768405377
Energy: 1.7416012331789845
Energy: 1.651899932739357
Energy: 1.808750824817893
Energy: 1.738953344141487
Energy: 1.6111703013680423
Energy: 1.8194189883811227
Energy: 1.7426146531009148
Energy: 1.6580990853018294
Energy: 1.7065818817233163
Energy: 1.8503679004696467
Energy: 1.6070677684847132
Energy: 1.778956049213619
Energy: 1.7069290832940442
Energy: 1.647663531119946
Energy: 1.7872930589460514
Energy: 1.9322396813501577
Energy: 1.608186824447837
Energy: 1.9143375936518596
Energy: 1.7801582282739379
Energy: 1.641576398681794
Energy: 1.7539291075646752
Energy: 1.6652232804744072
Energy: 1.6658926076255007
Energy: 1.6608885090144219
Energy: 1.9508005356712759
Energy: 1.665657284767206
Energy: 2.0653479239546746
Energy: 1.7631361484765937
Energy: 1.6052793309936066
Energy: 1.6818548610169464
Energy: 2.0607673595490885
Energy: 1.6508366231755862
Energy: 1.6475881884035115
Energy: 1.8306839460207183
Energy: 1.645327213313204
Energy: 1.6845986487344842
Energy: 1.6483777793675032
Energy: 1.6282103406133694
Energy: 1.6899888285056186
Energy: 2.0592793998145704
Energy: 1.6986919436960932
Energy: 2.0563568674631534
Energy: 1.7024644292807711
Energy: 1.6108371537017179
Energy: 1.7775952696529775
Energy: 1.6051911189906753
Energy: 1.6935891086895298
Energy: 1.6701187497317151
Energy: 2.042551788883173
Energy: 1.6676670848233186
Energy: 2.0559891678814757
Energy: 1.7806627939925088
Energy: 1.6664966767122287
Energy: 1.780143737518249
Energy: 1.9815769907063612
Energy: 1.6341041551539937
Energy: 1.6659413422834009
Energy: 1.9787268566363065
Energy: 2.0348363911223935
Energy: 1.8289769610014441
Energy: 1.6665845732297642
Energy: 1.6361839975991983
Energy: 1.668059076360182
Energy: 1.9606023969397537
Energy: 1.6074923455546974
Energy: 1.9682832288229373
Energy: 1.6663499354577802
Energy: 1.6674425048055206
Energy: 1.8766020058038237
Energy: 1.7808663753297465
Energy: 1.6489926823320948
Energy: 1.8771351842852713
Energy: 1.8874734463936056
Energy: 1.601027732779701
Energy: 1.8959876901492452
Energy: 1.71333611824816
Energy: 1.6202755705554088
Energy: 1.7788888035622874
Energy: 1.612544688775835
Energy: 1.5995660026740077
Energy: 1.8634917017155554
Energy: 1.7411063249221237
Energy: 1.742719078859154
Energy: 1.7954993166222726
Energy: 1.8652568705828763
Energy: 1.6463439010426921
Energy: 1.7447059046208706
Energy: 1.8708449933359377
Energy: 1.6013793595153243
Energy: 1.8770694962850698
Energy: 1.74414670796627
Energy: 1.635822022874994
Energy: 1.7156646818911632
Energy: 1.8912396244199745
Energy: 1.6016172129357986
Energy: 1.8903637911227282
Energy: 1.7043025371216143
Energy: 1.6478570965983288
Energy: 1.7862700833285714
Energy: 1.8880538590120046
Energy: 1.6073847709016738
Energy: 1.8982555019246177
Energy: 1.6930433194408914
Energy: 1.6478325443719501
Energy: 1.952895434027621
Energy: 1.6682076274381852
Energy: 1.6367728530398138
Energy: 1.6658233798391775
Energy: 1.9496864008627655
Energy: 1.6459586832119006
Energy: 1.8262957237655266
Energy: 1.6601765409166704
Energy: 1.6018998145215457
Energy: 1.6664587187247506
Energy: 2.0673977522216354
Energy: 1.6477871425034096
Energy: 1.6184425507273255
Energy: 2.0635406370426956
Energy: 1.6980521750043618
Energy: 2.050861421687122
Energy: 1.6489157230706986
Energy: 1.6206166342654813
Energy: 1.6605075235038218
Energy: 2.0388397613988953
Energy: 1.644657747475156
Energy: 1.677537390397728
Energy: 1.6018441490844981
Energy: 1.6126713512839703
Energy: 2.0668321503543283
Energy: 1.6608599177755057
Energy: 1.6045158902040357
Energy: 1.6598042191124014
Energy: 1.978271211921132

minimum gb energy = 1.5995660026740077 eV
minimum distance =  2.23878117023683 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.8177956910823132
Energy: 1.5686105686151182
Energy: 1.6323511527493735
Energy: 1.6535908868543405
Energy: 1.632679276149527
Energy: 1.9842558063092763
Energy: 1.6736843245207713
Energy: 1.7962309218121126
Energy: 1.7293685689468212
Energy: 1.6295602430063751
Energy: 2.0756624567464437
Energy: 1.7297954026903954
Energy: 1.5918871520530327
Energy: 1.6255465310291977
Energy: 1.9884269880644394
Energy: 1.98660934036047
Energy: 1.6241776896406328
Energy: 1.5491556989865327
Energy: 1.5482434953483712
Energy: 1.7518981055286862
Energy: 1.8233791044158876
Energy: 1.5555844766212166
Energy: 1.9352316769167652
Energy: 1.6277601663937444
Energy: 1.5296485266545676
Energy: 1.8524582909177087
Energy: 1.6675395535215491
Energy: 1.6124871924732316
Energy: 1.6677610706380837
Energy: 1.8051192602772523
Energy: 1.5493424287179693
Energy: 1.8524801748305657
Energy: 1.8369365457779885
Energy: 1.5356690322999458
Energy: 1.836138274696452
Energy: 1.5569444845681881
Energy: 1.5505552495799402
Energy: 1.7428105118742905
Energy: 1.7682787574675147
Energy: 1.7474423004383663
Energy: 1.7602123732948631
Energy: 1.6715659282282265
Energy: 1.557470263837999
Energy: 1.7831312780770638
Energy: 1.536153303793568
Energy: 1.5379354509914385
Energy: 1.791007648387462
Energy: 1.699878886275988
Energy: 1.585678187498121
Energy: 1.6762668135197383
Energy: 1.7470154283706594
Energy: 1.5570698114044168
Energy: 1.695682655269128
Energy: 1.6702914556695363
Energy: 1.55267189202561
Energy: 1.7906099042679455
Energy: 1.7926692603871612
Energy: 1.536836049853763
Energy: 1.792144315041181
Energy: 1.5540754696175667
Energy: 1.5524394130383339
Energy: 1.7629675535708986
Energy: 1.6704047262775283
Energy: 1.592183710271812
Energy: 1.6664003503703626
Energy: 1.898507676955489
Energy: 1.5513635915987192
Energy: 1.960906940646777
Energy: 1.637984421894721
Energy: 1.6011984312861798
Energy: 1.8255254719731833
Energy: 1.9695837259652038
Energy: 1.5956731705517295
Energy: 1.6265911512589983
Energy: 1.6270724786719704
Energy: 1.548770775130309
Energy: 1.6253376680402964
Energy: 1.599069731537889
Energy: 1.5697452567622632
Energy: 1.8189189005019026
Energy: 2.0710020420843405
Energy: 1.5441407649641914
Energy: 2.0559579457032937
Energy: 1.8165473423245821
Energy: 1.653922706283936
Energy: 1.7278976054128008
Energy: 1.561696589879799
Energy: 1.6014024717888957
Energy: 1.7283391207243477
Energy: 1.816855155298712
Energy: 1.6556777511217018
Energy: 2.0750261428053665
Energy: 1.6501749764273514
Energy: 1.55864874666298
Energy: 1.7322004664352801
Energy: 1.7292948020187864
Energy: 1.6520797607907047
Energy: 1.5509424783671861
Energy: 1.563858413411587
Energy: 2.036358741243876
Energy: 1.624947498122886
Energy: 1.5783223313286294
Energy: 1.6290231448967079
Energy: 1.7297831255174634
Energy: 2.070323350664031
Energy: 1.6242059294613347
Energy: 2.071308305990129
Energy: 1.5591582427907174
Energy: 1.5605634482258224
Energy: 1.7894886343932366
Energy: 1.6468028441354126
Energy: 1.5923085413744822
Energy: 1.6249921417537398
Energy: 1.9873865769283285
Energy: 1.5644310885167105
Energy: 1.935958696093013
Energy: 1.6271751034499347
Energy: 1.554100310600929
Energy: 1.7526917838835312
Energy: 1.8260100596127118
Energy: 1.5413404758004952
Energy: 1.7355066649976831
Energy: 1.9008307055149425
Energy: 1.798295476439451
Energy: 1.8535761643843862
Energy: 1.745934065841188
Energy: 1.533846291892059
Energy: 1.667676809301068
Energy: 1.7399617890159311
Energy: 1.550531149522685
Energy: 1.8891526930074654
Energy: 1.6417268751084064
Energy: 1.5612428655408146
Energy: 1.7662067722451535
Energy: 1.7867343466061298
Energy: 1.5435699763502309
Energy: 1.7943366945961203
Energy: 1.7549992955273384
Energy: 1.5337035009533677
Energy: 1.8401768163752232
Energy: 1.671768086791847
Energy: 1.5534995683425041
Energy: 1.7446693557500366
Energy: 1.6864631609815643
Energy: 1.5299471706236365
Energy: 1.8511930211741932
Energy: 1.6701688133244579
Energy: 1.6712667731639332
Energy: 1.6801679285665672
Energy: 1.8475481058429137
Energy: 1.5570226601291928
Energy: 1.7477235700558493
Energy: 1.791293858983351
Energy: 1.5512940384520417
Energy: 1.8051911469473438
Energy: 1.751184171184938
Energy: 1.5316258464133288
Energy: 1.6651719758469643
Energy: 1.8823269445023578
Energy: 1.5530736287925497
Energy: 1.8333925289222777
Energy: 1.667102795660781
Energy: 1.6021781103602046
Energy: 1.8242610879808692
Energy: 1.8947917282764475
Energy: 1.5533879900515253
Energy: 1.8945398871171848
Energy: 1.8255303849478284
Energy: 1.549954407425459
Energy: 1.9730589243625714
Energy: 1.598243979853458
Energy: 1.5993210894629877
Energy: 1.6265611306794092
Energy: 1.9563648311983297
Energy: 1.5440187140369337
Energy: 1.6253408182603468
Energy: 1.6264379625586836
Energy: 1.5736389662081494
Energy: 1.62497504023712
Energy: 2.0538385468710914
Energy: 1.6012618205067886
Energy: 1.560925253771511
Energy: 2.0583315141620613
Energy: 1.6552259678817929
Energy: 1.730044207903398
Energy: 1.560788552536844
Energy: 1.5526338628484337
Energy: 1.650002991552156
Energy: 2.0590413781316457
Energy: 1.6546378084572155
Energy: 1.7299221408778946
Energy: 1.5730253638226128
Energy: 1.5610488283649162
Energy: 1.7294172113314383
Energy: 1.7485314606365603
Energy: 1.54882345824539
Energy: 1.6274122377367377
Energy: 2.046549122197851

minimum gb energy = 1.5296485266545676 eV
minimum distance =  2.21893621093709 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.04817526046795904
Energy: 0.05018090227297097
Energy: 0.13858848100280624
Energy: 0.1328109021135377
Energy: 0.13473266118733107
Energy: 0.049360545495619475
Energy: 0.04951416246973726
Energy: 0.5210370816722789
Energy: 0.1458083242494
Energy: 0.14722433346128652
Energy: 0.5193517392384986
Energy: 0.14610273626896486
Energy: 1.2665134415323471
Energy: 0.1349614073903621
Energy: 0.04973196850735548
Energy: 0.0513124794949321
Energy: 0.13408108646385664
Energy: 0.138781894609086
Energy: 0.14544678430215
Energy: 0.5210370816701628
Energy: 0.1458083242494
Energy: 0.1472243334605811
Energy: 0.5193517392377933
Energy: 0.14610273626967027

minimum gb energy = 0.04817526046795904 eV
minimum distance =  2.45588889354919 Angstroms
sigma value = 1