Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.146558970212937
cohesive_energy=6.810535640519527
mass=95.95
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=[1.9374481164308399e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-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: 0.017335751885351896
Energy: 0.01764194350153928
Energy: 0.23912923768502675
Energy: 0.2386619287082564
Energy: 0.23927100848750754
Energy: 0.018178553766574106
Energy: 0.01764194350153928
Energy: 20.47160871938389
Energy: 21.8511420796361
Energy: 0.23942925244093252
Energy: 20.714843976424902
Energy: 20.26220473026568
Energy: 0.23912923768544067
Energy: 21.84144440374269
Energy: 20.38539455438386
Energy: 0.018739454226701088
Energy: 20.42719698967752
Energy: 0.2385784929749815
Energy: 0.23866192870867034
Energy: 0.23942925244056457
Energy: 0.018739454227115027
Energy: 0.017672886034970046
Energy: 0.23896580566652997
Energy: 0.2387808865396075
Energy: 0.23927100848709362
Energy: 20.84222171268418
Energy: 20.044575651987802
Energy: 0.2389658056669439
Energy: 19.790206638807224
Energy: 0.23920615178705543
Energy: 0.018178553766160174
Energy: 20.3249441772888
Energy: 0.2385784929749815
Energy: 0.2387808865396075
Energy: 0.23920615178705543
Energy: 0.019211984502840968

minimum gb energy = 0.017335751885351896 eV
minimum distance =  2.71946822537606 Angstroms
sigma value = 1


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

Energy: 2.550305606816761
Energy: 1.903849535592637
Energy: 1.972583887564173
Energy: 1.9658799555722322
Energy: 1.9648247258785174
Energy: 1.9000935620605062
Energy: 1.9977704104104015
Energy: 1.9566605723462065
Energy: 1.9745286718408779
Energy: 1.9750948154875827
Energy: 1.9714777317752792
Energy: 1.9918925589284713
Energy: 1.9715836506939877
Energy: 1.972909956224284
Energy: 1.9338888401641892
Energy: 1.954985112537925
Energy: 1.9680130526043136
Energy: 1.9760343761747703
Energy: 1.9594319443016872
Energy: 1.9656159955015062
Energy: 1.9352599694490975
Energy: 1.9372311594631229
Energy: 1.9648419537730368
Energy: 1.9690481410979863
Energy: 2.0036972602511773
Energy: 1.9744513990104842
Energy: 1.982533673616274
Energy: 1.9542774444913193
Energy: 1.956364225880577
Energy: 1.9765291603652222
Energy: 1.9589168548792175
Energy: 1.9390887751168762
Energy: 1.9452557673561766
Energy: 1.972571947453735
Energy: 1.9397820213463008
Energy: 1.939233763670194
Energy: 1.9583851454583043
Energy: 1.9382598388810992
Energy: 1.9764597661018715
Energy: 1.9862666641999007
Energy: 1.9373032891790143
Energy: 1.9389696350916514
Energy: 2.0446001150395894
Energy: 2.0488302641009644
Energy: 1.9703578676580666
Energy: 1.969311189922162
Energy: 1.941363091619645
Energy: 2.0509777670766067
Energy: 2.006514992180388
Energy: 1.937506021367113
Energy: 1.944895667273401
Energy: 1.986650716178141
Energy: 1.9488176449901886
Energy: 1.9385407338398284
Energy: 2.0133822300930286
Energy: 1.9372338993307239
Energy: 1.9419993811762286
Energy: 1.9754389953832512
Energy: 1.9373376323579916
Energy: 1.9620433810133224
Energy: 2.016994041390651
Energy: 2.0481505228507317
Energy: 1.9748841803306523
Energy: 1.9814219713053924
Energy: 1.973552226562999
Energy: 1.9820509246106741
Energy: 1.9652924228557904
Energy: 1.9650314021286779
Energy: 1.8921036097080521
Energy: 1.9110809684857781
Energy: 1.9640910796880546
Energy: 2.001339696633449
Energy: 1.9897203981408587
Energy: 1.96805018871228
Energy: 1.8917470693342748
Energy: 1.9064118334932607
Energy: 1.9641451182419378
Energy: 1.9674564510811463
Energy: 1.9765101120162663
Energy: 1.977874160093562
Energy: 1.9709826620578674
Energy: 1.9719213485139424
Energy: 1.9727485749911835
Energy: 1.987268130454028
Energy: 1.954066956318905
Energy: 1.9674650926346606
Energy: 1.971444672704656
Energy: 1.9715053162812979
Energy: 1.967398372082072
Energy: 1.93585561237767
Energy: 1.9546594053738597
Energy: 1.9734422620539995
Energy: 1.9754906736339344
Energy: 1.973187884848123
Energy: 1.9721874869208276
Energy: 1.9295612173193089
Energy: 1.9697400235370504
Energy: 1.9765132650828556
Energy: 2.0467528430275355
Energy: 2.0522883429939025
Energy: 1.9442172903085102
Energy: 1.9753024166616826
Energy: 1.9662264437476369
Energy: 1.9440134750665359
Energy: 1.938745761915032
Energy: 1.9385339585494434
Energy: 1.9388280985045119
Energy: 1.948431886183486
Energy: 1.9719323577486716
Energy: 1.9397520938775277
Energy: 2.0456377071715997
Energy: 1.961031631748311
Energy: 1.9436574302347105
Energy: 1.9773633119506062
Energy: 1.975497340421479
Energy: 1.94117457167577
Energy: 2.028183755057021
Energy: 1.9782506120421166
Energy: 1.9508406747491973
Energy: 1.9430359682153284
Energy: 2.2321683517326325
Energy: 1.9397545650469206
Energy: 1.9611360381236365
Energy: 1.9624638995232702
Energy: 1.938875473437929
Energy: 1.9455935706224026
Energy: 1.9834363544474922
Energy: 1.952934891374196
Energy: 1.9392269915628748
Energy: 2.008236293661031
Energy: 1.937680504610968
Energy: 1.9747256060704215
Energy: 1.9153819556016267
Energy: 1.9571642292252882
Energy: 1.9736027046559244
Energy: 1.9622333190247718
Energy: 1.9705501110989352
Energy: 1.9926189005697164

minimum gb energy = 1.8917470693342748 eV
minimum distance =  2.41077547051632 Angstroms
sigma value = 33


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

Energy: 3.3130859186671504
Energy: 2.052526732489472
Energy: 2.0987726503989137
Energy: 2.0786582910932947
Energy: 2.0978564159817235
Energy: 1.9885697983812871
Energy: 2.095885813539814
Energy: 2.22668287628531
Energy: 2.079000318161337
Energy: 2.082946239150846
Energy: 2.0779850850153294
Energy: 2.02663337508373
Energy: 2.0711432174707967
Energy: 2.0193308697827246
Energy: 2.2371227764236155
Energy: 2.0467740364222813
Energy: 2.018413914555476
Energy: 2.0265156141777623
Energy: 2.023529929024246
Energy: 2.018534563135219
Energy: 2.020040039316736
Energy: 2.0023630357068107
Energy: 2.0193152844525533
Energy: 2.0049474671077547
Energy: 2.063201225853021
Energy: 2.1153830811748944
Energy: 2.2264786953699134
Energy: 2.215166854275645
Energy: 2.338839940400651
Energy: 2.0250209803702273
Energy: 2.0939818564871993
Energy: 2.020837211169419
Energy: 2.013382433284435
Energy: 2.0798170325124445
Energy: 2.0107620054041693
Energy: 2.0189123722479394
Energy: 2.093781410860655
Energy: 2.0208364704923882
Energy: 2.0992936315326207
Energy: 2.1610356629937586
Energy: 2.0208984316782495
Energy: 2.0191980619663545
Energy: 2.095149318917904
Energy: 2.3263495279927615
Energy: 2.0147268278509225
Energy: 2.251476733061881
Energy: 2.0135692705838206
Energy: 2.3249179742410684
Energy: 2.0039137384975083
Energy: 2.110300419355565
Energy: 2.022377487039602
Energy: 2.0321637088684184
Energy: 2.016780019379289
Energy: 2.081551875548532
Energy: 2.0847202474100244
Energy: 2.01701363159289
Energy: 2.0187397096298048
Energy: 2.0355525452537324
Energy: 2.0167611648763133
Energy: 1.9767096204168981
Energy: 2.0956048256127704
Energy: 2.3256271849494823
Energy: 2.0300735278577524
Energy: 2.1099884283293924
Energy: 2.1119898002975446
Energy: 2.0830260783865726
Energy: 2.092953012834127
Energy: 2.076579591977832
Energy: 2.132177893126835
Energy: 2.04557089628029
Energy: 2.0750947132625748
Energy: 2.0769384387561867
Energy: 2.0513752906990215
Energy: 2.076404526504126
Energy: 2.1356115045477924
Energy: 2.0440756664615924
Energy: 2.0750821802108934
Energy: 2.0749653036717364
Energy: 2.0617865696986715
Energy: 2.389684441591596
Energy: 2.1161145271740125
Energy: 2.1635809488903024
Energy: 2.112522919666851
Energy: 2.0842434158804197
Energy: 2.0880549684444474
Energy: 1.999002298247577
Energy: 2.001348613898563
Energy: 2.0341221027787264
Energy: 1.9958775715002286
Energy: 2.0019928149885025
Energy: 2.047722443917345
Energy: 1.9987613021342818
Energy: 2.017626939556973
Energy: 2.1134273791142686
Energy: 1.997547779204275
Energy: 2.099804283169558
Energy: 2.233091926716193
Energy: 2.4060690153688147
Energy: 1.996148539362452
Energy: 2.071371002046111
Energy: 2.000672889753954
Energy: 2.40590177916527
Energy: 2.086737781849546
Energy: 2.000969790241266
Energy: 2.079773322901486
Energy: 2.239049506513103
Energy: 2.0000647707799284
Energy: 2.017888709022446
Energy: 2.086834703031987
Energy: 2.0003640297114744
Energy: 1.998786242591208
Energy: 2.0366632851134536
Energy: 1.9993685151071576
Energy: 2.001986929046785
Energy: 2.063994573334711
Energy: 2.2321312568356597
Energy: 2.1161694201922163
Energy: 2.0265706806724983
Energy: 2.1165365148908952
Energy: 2.0819908433050744
Energy: 2.0472422514664674
Energy: 2.074438897336272
Energy: 2.0476679723858098
Energy: 1.9797336601183222
Energy: 2.075471415399375
Energy: 2.0479118638720535
Energy: 2.1008835292860697
Energy: 2.0741811156229053
Energy: 2.225323361572713
Energy: 2.0060269562696686
Energy: 2.1789991644447166
Energy: 2.0752724034327135
Energy: 2.1062475306030333
Energy: 2.236694247248305
Energy: 2.0215598739469818
Energy: 2.094030511535886
Energy: 2.019901979082373
Energy: 2.222328226148297
Energy: 3.066314037539782
Energy: 2.018847392025938
Energy: 2.036292108107115
Energy: 2.0288067346664667
Energy: 2.0249942007918644
Energy: 2.011323297654358
Energy: 2.1863484059877645
Energy: 2.187728323137206
Energy: 2.0230213051027754
Energy: 2.013750776183939
Energy: 2.020386914925628
Energy: 2.223235341244745
Energy: 2.110988017435648
Energy: 2.014394451236499
Energy: 2.01562459912619
Energy: 2.0967802730646152
Energy: 2.0163528278455387
Energy: 2.23566497979228
Energy: 2.4008582943905488
Energy: 2.015055832718841
Energy: 2.0216680584608877
Energy: 2.100884206281934
Energy: 2.0167735091300396
Energy: 2.097899524314248
Energy: 2.095951313320172
Energy: 2.011610350005088
Energy: 2.326409804663238
Energy: 2.0816487152086895
Energy: 2.016106692854716
Energy: 2.0151723328115487
Energy: 2.052679128617575
Energy: 2.0224574130558692
Energy: 2.2509933842728604
Energy: 2.002515901388422
Energy: 2.109784878672958
Energy: 2.0240916860658453
Energy: 2.031859216336086
Energy: 2.0359796777776302
Energy: 1.9767335986459507
Energy: 2.019760539943419
Energy: 2.0207107671071856
Energy: 2.0287764073973573
Energy: 2.162320155015762
Energy: 2.020148834853269
Energy: 2.2327749440802855
Energy: 2.093210284202549
Energy: 2.1101228485539827
Energy: 2.0199462679045377
Energy: 2.02164038705849
Energy: 2.2709132295846994
Energy: 2.076968648438945
Energy: 2.080041869687508
Energy: 2.077500865040637
Energy: 2.234684900091772
Energy: 2.042690656748264
Energy: 2.0781700884791503
Energy: 2.076736121358363
Energy: 2.0476423057064657
Energy: 2.074049498557652
Energy: 2.0171576741601585
Energy: 2.1622636737095213
Energy: 2.115209080050192
Energy: 2.0780390205483315
Energy: 2.079979753930063
Energy: 2.325998869343648
Energy: 2.0362528673355365
Energy: 2.0689814337060204
Energy: 1.9970464625122173
Energy: 2.0011726457388543
Energy: 2.0956769895812686
Energy: 2.0019225781253343
Energy: 1.9959231382771512
Energy: 2.234205734766065
Energy: 2.0185925320971543
Energy: 1.9991815242899216
Energy: 2.053141479207852
Energy: 2.0004606108270546
Energy: 2.1113701225070702
Energy: 2.2231658504249565
Energy: 2.2413693734141877
Energy: 2.409952861760545
Energy: 2.397326871411508
Energy: 2.4058155934143333
Energy: 2.035706661989675
Energy: 2.2275624774359306
Energy: 1.9977635141933965
Energy: 1.9999383759419815
Energy: 2.0867325763405855
Energy: 2.0002440363481697
Energy: 2.077016963524485
Energy: 2.0916472886476902
Energy: 1.9957380847596906
Energy: 2.0017362470604505
Energy: 2.017748395784042
Energy: 2.0006892550140365
Energy: 1.9973022242874494
Energy: 2.1267979218247803
Energy: 2.114150787612322
Energy: 2.2397160309284936
Energy: 2.049503279607284
Energy: 2.2352675862431743
Energy: 2.116274355205329
Energy: 2.001442728350661
Energy: 2.0774093563954277
Energy: 2.0709197053679302
Energy: 2.050718632299766
Energy: 2.073251748191065
Energy: 1.977944553234282

minimum gb energy = 1.9767096204168981 eV
minimum distance =  2.40877253847226 Angstroms
sigma value = 51


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

Energy: 3.0652194006848554
Energy: 2.0106779759900233
Energy: 2.1103949114278175
Energy: 2.1408498285440034
Energy: 2.1102216229641355
Energy: 2.010265513710641
Energy: 2.060217394250271
Energy: 1.9958526757008952
Energy: 2.044059803461513
Energy: 2.0456653263359335
Energy: 2.2053771239980646
Energy: 2.1972103398915386
Energy: 2.1332533164165035
Energy: 2.0413044284625594
Energy: 1.9953043733575888
Energy: 2.1977807072369684
Energy: 2.042485751027704
Energy: 2.0487675954570066
Energy: 2.094044540894362
Energy: 2.0418165855942596
Energy: 2.042121605204208
Energy: 2.102974264030269
Energy: 2.0413929168779332
Energy: 2.0513870710382234
Energy: 2.0933103088025087
Energy: 2.064139816191335
Energy: 2.19668717399373
Energy: 2.206778075668962
Energy: 2.0521389318144903
Energy: 2.0641017703660873
Energy: 2.253788407937359
Energy: 1.9807476586467678
Energy: 2.2066197551395987
Energy: 2.2099410118089073
Energy: 1.9833916421404512
Energy: 1.9814268047043349
Energy: 2.200898280275206
Energy: 2.01122326332836
Energy: 1.9819959655904589
Energy: 2.098347895064621
Energy: 1.9804334935630976
Energy: 1.9810072365250362
Energy: 2.089261169235743
Energy: 2.207907954162591
Energy: 2.209841819664127
Energy: 2.3336772414378983
Energy: 1.9825727730603098
Energy: 2.208556747059719
Energy: 2.061239659472374
Energy: 2.204936326065529
Energy: 2.0473878472161675
Energy: 2.0944684399091424
Energy: 2.042339996021186
Energy: 1.9624296810035535
Energy: 2.06024635292378
Energy: 2.0435771181693547
Energy: 2.0453145684919303
Energy: 2.1132666728208984
Energy: 2.042056842053232
Energy: 1.960829464072807
Energy: 2.126136440577121
Energy: 2.1953322094477157
Energy: 2.2049028844562115
Energy: 2.045271334859656
Energy: 2.2049092832442776
Energy: 2.066097504484085
Energy: 2.1049357901439563
Energy: 2.040475619290054
Energy: 2.043355770050008
Energy: 2.125792865896866
Energy: 2.0411312235115777
Energy: 2.042205186553683
Energy: 2.081666327748909
Energy: 2.041116602345272
Energy: 2.205422078194093
Energy: 2.3278105542880136
Energy: 2.0411801386070696
Energy: 2.0445942971656828
Energy: 2.1006207034539117
Energy: 1.9939561488024518
Energy: 2.205264583604894
Energy: 2.206319114971739
Energy: 2.2045473497939168
Energy: 2.198358828628925
Energy: 2.2584949368604947
Energy: 1.980659544767935
Energy: 1.9801485563700192
Energy: 2.134118416609932
Energy: 1.9818953607616314
Energy: 1.980456486111587
Energy: 2.199603815874928
Energy: 1.980660131681152
Energy: 1.979912191804293
Energy: 2.109016469670869
Energy: 1.982958850275553
Energy: 1.9812576284200878
Energy: 2.123349612018373
Energy: 2.200284376540768
Energy: 2.1976411220300376
Energy: 2.12683647786535
Energy: 2.198244530244441
Energy: 2.2007807692726966
Energy: 2.059481714583915
Energy: 2.043184760700276
Energy: 2.044039257233409
Energy: 2.091449352158523
Energy: 2.041413993928473
Energy: 1.9601628559508313

minimum gb energy = 1.9601628559508313 eV
minimum distance =  2.41117287167697 Angstroms
sigma value = 19


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

Energy: 2.856683752354195
Energy: 2.12234272559398
Energy: 2.1163708810734607
Energy: 2.2528641751531704
Energy: 2.23641130576375
Energy: 2.125537140488332
Energy: 2.2857156822146476
Energy: 2.240371284650676
Energy: 2.117965362455017
Energy: 2.12087627985288
Energy: 2.20656159842099
Energy: 2.2061100580589073
Energy: 2.1747643170047852
Energy: 2.0928682485961647
Energy: 2.242276232941487
Energy: 2.197457957406022
Energy: 2.0928339940078584
Energy: 2.0930016899823585
Energy: 2.202553670292874
Energy: 2.0956979444715245
Energy: 2.093247525345603
Energy: 2.3622259100482106
Energy: 2.0922842954892205
Energy: 2.1493670960132936
Energy: 2.2265197500364926
Energy: 2.121351974172947
Energy: 2.319671914436174
Energy: 2.2239653639597927
Energy: 2.2562107545013195
Energy: 2.117735013556584
Energy: 2.2090317934444417
Energy: 2.1224671718817936
Energy: 2.2351266548151623
Energy: 2.1182788383241262
Energy: 2.24225253896114
Energy: 2.1250459410924263
Energy: 2.200323293740736
Energy: 2.1177401480476403
Energy: 2.089887277172961
Energy: 2.3643880652547034
Energy: 2.121515594930502
Energy: 2.1444510910070393
Energy: 2.3137193812833865
Energy: 2.0929920248412333
Energy: 2.255072120561647
Energy: 2.276807430296533
Energy: 2.2425125926201224
Energy: 2.093794869564251
Energy: 2.1427515770717975
Energy: 2.117970260095714
Energy: 2.1163418763197694
Energy: 2.119235777883593
Energy: 2.1173406188924218
Energy: 2.24392205739926
Energy: 2.142954135162943
Energy: 2.1187066880124306
Energy: 2.117198972907271
Energy: 2.1237102052165153
Energy: 2.117429899331833
Energy: 2.089932863771086
Energy: 2.127880390574587
Energy: 2.2119362266884584
Energy: 2.1191843954140612
Energy: 2.1248448883656668
Energy: 2.320498995193239
Energy: 2.198523587149492
Energy: 2.2810246005612935
Energy: 2.0777818630305434
Energy: 2.079217176831413
Energy: 2.1371921227318795
Energy: 2.080094014261302
Energy: 2.2011270506208067
Energy: 2.2748349035924784
Energy: 2.1561227320309815
Energy: 2.093540123318263
Energy: 2.143783338539198
Energy: 2.0977023181296146
Energy: 2.1528323685992077
Energy: 2.126237911031962
Energy: 2.1354269911214594
Energy: 2.1983847413451496
Energy: 2.201522887806248
Energy: 2.2011742278521917
Energy: 2.2743585576325804
Energy: 2.1168458226408613
Energy: 2.116317435570882
Energy: 2.113337313955951
Energy: 2.095449683667286
Energy: 2.2071264407238815
Energy: 2.121296553463871
Energy: 2.148969332544352
Energy: 2.1167386734906346
Energy: 2.095932974349511
Energy: 2.3540853545077667
Energy: 2.118739695132237
Energy: 2.1174065883285116
Energy: 2.2756744425887256
Energy: 2.2218359497297757
Energy: 2.0921778923009304
Energy: 2.156836421218276
Energy: 2.241756778280865
Energy: 2.118717713945213
Energy: 2.272846266993742
Energy: 2.092461694361553
Energy: 2.0944176345335874
Energy: 2.0952284424630605
Energy: 2.0937156130901915
Energy: 2.0915956168987084
Energy: 2.2706343473582296
Energy: 2.0922403936287197
Energy: 2.0945041742452792
Energy: 2.202875686200094
Energy: 2.09393982011129
Energy: 2.242162418535018
Energy: 2.1315664884237333
Energy: 2.31869330646621
Energy: 2.1163412337931833
Energy: 2.2284325094720367
Energy: 2.206345607487502
Energy: 2.324477579260661
Energy: 2.1840215592670353
Energy: 2.0935533583026325
Energy: 2.123424665104169
Energy: 2.202016590267352
Energy: 2.094432272140651
Energy: 2.2553998256357777
Energy: 2.183649074808464
Energy: 2.092472512651302
Energy: 2.0949547581753523
Energy: 2.1458562513014052
Energy: 2.0937271679040736
Energy: 2.0671498806050606
Energy: 2.277313783606563
Energy: 2.323817064880418
Energy: 2.093293491212371
Energy: 2.304699148329326
Energy: 2.2411621993490023
Energy: 2.1190073688211952
Energy: 2.150068747766693
Energy: 2.117097115586198
Energy: 2.0900153876956598
Energy: 2.2328853716446786
Energy: 2.1189945737724982
Energy: 2.116447717491808
Energy: 2.1176610615501903
Energy: 2.116264178932205
Energy: 2.1172077949317547
Energy: 2.1120324283103775
Energy: 2.118073181520352
Energy: 2.1169343542407013
Energy: 2.1337470391270705
Energy: 2.237042093485392
Energy: 2.1982950207785588
Energy: 2.1200734688575196
Energy: 2.1972079648649783
Energy: 2.316209114263244
Energy: 2.57730167233864
Energy: 2.0789782809569948
Energy: 2.079888645333035
Energy: 2.1449561869724474
Energy: 2.0795078475092206
Energy: 2.264883341064014
Energy: 2.2811232866350752
Energy: 2.077199987289335
Energy: 2.133599112478989
Energy: 2.293219183957842
Energy: 2.078960965565764
Energy: 2.0774991302681114
Energy: 2.1255395336108682
Energy: 2.1987126903328487
Energy: 2.2115278777222223
Energy: 2.1290493999459614
Energy: 2.2544510506482687
Energy: 2.198026654592872
Energy: 2.18108393783909
Energy: 2.1170352609495757
Energy: 2.1170207288216316
Energy: 2.1177965667518888
Energy: 2.116579425234553
Energy: 2.097012281446815

minimum gb energy = 2.0671498806050606 eV
minimum distance =  2.38092193906302 Angstroms
sigma value = 27


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

Energy: 2.307883045947118
Energy: 1.95298536134105
Energy: 2.1520091187938837
Energy: 1.995186975908127
Energy: 2.1494566180000207
Energy: 1.9561245966598566
Energy: 2.1868371107454294
Energy: 1.9577126017524127
Energy: 1.9959420692356933
Energy: 1.929529090187193
Energy: 1.9572696169828636
Energy: 1.9955618885588302
Energy: 2.0899072291384555
Energy: 1.9972812657660655
Energy: 1.9938906042309008
Energy: 1.9307643973419337
Energy: 1.993452096537151
Energy: 1.995097887040066
Energy: 2.0949075989798436
Energy: 2.0003671616704723
Energy: 1.9952399158099585
Energy: 1.9978624621413565
Energy: 1.9954883972990949
Energy: 1.9951317579532653
Energy: 1.928625459728099
Energy: 1.996167339257129
Energy: 1.955446546417422
Energy: 1.9327142609181716
Energy: 1.9580049477059727
Energy: 2.0010956784479252
Energy: 2.124672443738528
Energy: 1.9991334001014678
Energy: 1.9575666232043882
Energy: 1.9956491831153242
Energy: 1.9607450845616932
Energy: 1.9974410139314747
Energy: 2.30411218904837
Energy: 2.1570035228605016
Energy: 1.9551836989077185
Energy: 2.3098249184550026
Energy: 2.150166185571797
Energy: 2.150686919141155
Energy: 1.9286521915123291
Energy: 1.999040871373632
Energy: 1.9581643567586293
Energy: 1.929692777000903
Energy: 1.96163202632852
Energy: 1.9939090095261174
Energy: 1.9298938486745754
Energy: 1.9934144396351676
Energy: 1.9932255546540698
Energy: 1.9326632947477596
Energy: 1.9922174060258242
Energy: 1.9946032297944416
Energy: 2.1313947622835916
Energy: 1.9953099458522807
Energy: 1.9958100332866282
Energy: 1.9960754610503773
Energy: 1.9947065246108782
Energy: 1.9953965621641894
Energy: 1.9331594502506457
Energy: 1.955205142524683
Energy: 2.0026040242907612
Energy: 1.930366767120297
Energy: 1.9959826692973028
Energy: 1.95521402894761
Energy: 2.1868370545469986
Energy: 1.9570070423541124
Energy: 1.9952718985766196
Energy: 2.125792799744742
Energy: 1.9592062909249375
Energy: 1.9579709370443297

minimum gb energy = 1.928625459728099 eV
minimum distance =  2.44248594458032 Angstroms
sigma value = 9


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

Energy: 3.4595772727523086
Energy: 2.1286621333657068
Energy: 2.2091471531985314
Energy: 2.1671243834452834
Energy: 2.2096707105461073
Energy: 2.1373353823430574
Energy: 2.065563451931014
Energy: 2.1949661457859895
Energy: 2.0358974886519383
Energy: 2.103838799847339
Energy: 2.040448535610858
Energy: 2.141512179048508
Energy: 2.1773977334897796
Energy: 2.1351103252184287
Energy: 2.1700707734081917
Energy: 2.1022165144694065
Energy: 2.140583540859971
Energy: 2.1695407942098806
Energy: 2.336420445848672
Energy: 2.136007775656371
Energy: 2.135367808601519
Energy: 2.4601369054016287
Energy: 2.136676871850813
Energy: 2.1664006395092272
Energy: 2.1018243260921636
Energy: 2.176143709613041
Energy: 2.1358848964335304
Energy: 2.1501948306176115
Energy: 2.1378153703869787
Energy: 2.1675684220484284
Energy: 2.1046888062114815
Energy: 2.041214055334462
Energy: 2.230581675313059
Energy: 2.1515095965546176
Energy: 2.2810313110828564
Energy: 2.046013336453603
Energy: 1.9950252440014704
Energy: 2.0685411153641406
Energy: 2.1376598108737355
Energy: 2.3927579312708396
Energy: 2.037507442505345
Energy: 2.046618549857743
Energy: 2.000993689699734
Energy: 2.035744510286666
Energy: 2.230416176110643
Energy: 2.1503720749268203
Energy: 2.2813965282687616
Energy: 2.039251817665497
Energy: 1.9897997042804965
Energy: 2.1168501230410013
Energy: 2.1927511366342873
Energy: 2.1505481573473055
Energy: 2.2064061648895885
Energy: 2.1579937994907707
Energy: 2.231373328670777
Energy: 2.152609498473461
Energy: 2.1168309549590942
Energy: 2.6161519046325235
Energy: 2.1165101840792273
Energy: 2.1488910845891116
Energy: 2.068640428612021
Energy: 2.1334704929740096
Energy: 2.1161461265635735
Energy: 2.2458843247415015
Energy: 2.1166728606169367
Energy: 2.1711348816257194
Energy: 2.0669395372998016
Energy: 2.2551376379802903
Energy: 2.1031671238990928
Energy: 2.1520055012828743
Energy: 2.100492121785153
Energy: 2.1905532150143343
Energy: 3.1680749368624865
Energy: 2.098981809982186
Energy: 2.101490048255597
Energy: 2.062953461244936
Energy: 2.102078698179446
Energy: 2.179235319070002
Energy: 2.067844096220692
Energy: 2.197673573304912
Energy: 2.1028596665346124
Energy: 2.0697485993414526
Energy: 2.0999661836165133
Energy: 2.2531872518800053
Energy: 2.0699392865284363
Energy: 2.252660718437091
Energy: 2.1010354512328733
Energy: 2.065883092541523
Energy: 2.1953853857837973
Energy: 2.2674487633292064
Energy: 2.8494546055475145
Energy: 2.0992656551836504
Energy: 2.1044087478298836
Energy: 2.0690400151278237
Energy: 2.1069885919905844
Energy: 2.0983383892826915
Energy: 2.068378351112908
Energy: 2.101692640311481
Energy: 2.0996581988188905
Energy: 2.1497598919745813
Energy: 2.101476702362087
Energy: 2.0995887888056433
Energy: 2.066609378751422
Energy: 2.119807894447354
Energy: 2.303263798096067
Energy: 2.149707205227856
Energy: 2.117133894242818
Energy: 2.135210044083361
Energy: 2.151501302317439
Energy: 2.161102268852897
Energy: 2.1207677774939464
Energy: 2.4666328082746936
Energy: 2.1188854602935487
Energy: 2.1555774769745173
Energy: 2.2324716251543992
Energy: 2.1225968615181
Energy: 2.19201856824796
Energy: 2.150362686702629
Energy: 2.116914982079457
Energy: 2.179232451989736
Energy: 1.9981328966204235
Energy: 2.1657765504272115
Energy: 2.1969923090487544
Energy: 2.150010210814338
Energy: 2.2004072776115544
Energy: 1.9897299233195556
Energy: 1.9934309864596036
Energy: 2.038294209307141
Energy: 2.0952999275096045
Energy: 2.2200296215189197
Energy: 2.0417417954034573
Energy: 1.9899256658151319
Energy: 2.100965088664456
Energy: 2.039613274844348
Energy: 2.1674434994734124
Energy: 2.0671150048105718
Energy: 2.0384788196002375
Energy: 2.0433937988636335
Energy: 2.10312453553089
Energy: 2.1370878663340194
Energy: 2.1532519731649145
Energy: 2.1502074717678057
Energy: 2.1380538065766777
Energy: 2.043832925564631
Energy: 2.60361940757169
Energy: 2.1841467533719006
Energy: 2.1680463117729674
Energy: 2.302144908189242
Energy: 2.1368553303645643
Energy: 2.2223790942824015
Energy: 2.1506079292600364
Energy: 2.13673622510443
Energy: 2.1753504590941115
Energy: 2.330020268222858
Energy: 2.137712556056245
Energy: 2.167287311736985
Energy: 2.1496910104050486
Energy: 2.135451518151751
Energy: 2.0379854330010647
Energy: 2.102068306261462
Energy: 2.2658425010919405
Energy: 2.260141879927393
Energy: 2.512192680141756
Energy: 2.0467259887599716
Energy: 2.0446268376315966
Energy: 2.1262558786352153
Energy: 2.043160438419272
Energy: 2.1030395816003824
Energy: 2.0665246905214927
Energy: 2.044374120898658
Energy: 2.050865043344104
Energy: 1.988800089298506
Energy: 2.0399019861693763
Energy: 2.10005784663591
Energy: 2.1534808365418976
Energy: 2.2039118044289494
Energy: 2.2813665629851196
Energy: 1.9956147335262038
Energy: 2.23627733968634
Energy: 2.2035506384961816
Energy: 2.237366177636593
Energy: 2.1157325815672623
Energy: 2.1457226844308415
Energy: 2.2327827701054517
Energy: 2.1156272342639357
Energy: 2.199922193525812
Energy: 2.866586813226555
Energy: 2.119554853248407
Energy: 2.16849925232731
Energy: 2.067831938904298
Energy: 2.132558488097531
Energy: 2.1272758818592368
Energy: 2.1516210043838386
Energy: 2.1017870942277224
Energy: 2.1887739431505984
Energy: 2.0684611614415247
Energy: 2.223566905876171
Energy: 2.100576406933818
Energy: 2.1566053610606137
Energy: 2.1029861287319287
Energy: 2.102401845401178
Energy: 2.1207091707247163
Energy: 2.102887673072346
Energy: 2.102146093991252
Energy: 2.0684684846095354
Energy: 2.1015194165170286
Energy: 2.1014985880405894
Energy: 2.1470492776159826
Energy: 2.1009090346351855
Energy: 2.07159099998357
Energy: 2.0632692237071737
Energy: 2.261723775350463
Energy: 2.252573075216093
Energy: 2.0676078242625224
Energy: 2.2569171700087307
Energy: 2.070814281767057
Energy: 2.060620251912045
Energy: 2.101660351800855
Energy: 2.197760543579306
Energy: 2.067262481448352
Energy: 2.1001337574223258
Energy: 2.1203296627463257
Energy: 2.1489335449757885
Energy: 2.1012749513490143
Energy: 2.0985599204894037
Energy: 2.609865884283968
Energy: 2.0994568713384463
Energy: 2.1031404988745996
Energy: 2.150878532692004
Energy: 2.1008301144106936
Energy: 2.187906805889586
Energy: 2.0680619059488983
Energy: 2.1164289279339985
Energy: 2.1056380471239837
Energy: 2.5904748036257566
Energy: 2.1171804474993303
Energy: 2.169388514697891
Energy: 2.0665157801520295
Energy: 2.1326157732004805
Energy: 2.117239938837953
Energy: 2.170823326243509
Energy: 2.1183520452471107
Energy: 2.1215095419330923
Energy: 2.229376836709531
Energy: 2.1170719935958284
Energy: 2.116111362213546
Energy: 2.1512152514782827
Energy: 2.195602552727244
Energy: 2.158117987152051
Energy: 2.012983911902608
Energy: 2.201093958538184
Energy: 2.19765240511114
Energy: 2.08416066607481
Energy: 2.1642548696205446
Energy: 2.041617943055899
Energy: 1.9897854920119367
Energy: 2.039629310824485
Energy: 2.3234573637575924

minimum gb energy = 1.988800089298506 eV
minimum distance =  2.41203950605784 Angstroms
sigma value = 57


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

Energy: 3.286639182600745
Energy: 2.0774154835946925
Energy: 2.092148620227926
Energy: 1.716356810119156
Energy: 2.0860516620371774
Energy: 2.0771268544750026
Energy: 2.3804101955019905
Energy: 2.0609920905041417
Energy: 1.7107518068429364
Energy: 2.056450244563742
Energy: 1.9023050268492578
Energy: 1.902381261548352
Energy: 2.4249603393286687
Energy: 2.057285958487583
Energy: 2.045522669715413
Energy: 2.053462615479677
Energy: 2.058320338147769
Energy: 1.9498039227334836
Energy: 2.0116683633788286
Energy: 2.048171017084836
Energy: 2.0469458366155693
Energy: 2.0510453167426674
Energy: 2.04785619742879
Energy: 2.11171270381722
Energy: 1.9972437675542776
Energy: 2.044997679783524
Energy: 2.0447448945284665
Energy: 2.053580319029843
Energy: 2.0486548358151278
Energy: 2.0485267328675496
Energy: 1.710414097266242
Energy: 1.909078851643805
Energy: 2.055572306249293
Energy: 2.052080759494093
Energy: 1.9028778785866105
Energy: 1.9016571390416221
Energy: 1.7736490781778107
Energy: 1.9402506070167795
Energy: 1.937596204951526
Energy: 2.6325758060011104
Energy: 1.9369832127783067
Energy: 1.942348999923575
Energy: 1.8574748690416343
Energy: 1.9016285913357058
Energy: 2.059775039593293
Energy: 2.0517829569498267
Energy: 1.9030034446513446
Energy: 1.9042381970379596
Energy: 1.8579435750113773
Energy: 2.0846341826679167
Energy: 2.0601741831088263
Energy: 2.0514632557613184
Energy: 2.059404838787812
Energy: 1.9057197434880992
Energy: 1.8697835072105697
Energy: 1.9054978348155798
Energy: 2.025532100225585
Energy: 2.0261073302323322
Energy: 1.903195327940158
Energy: 1.909351618439017
Energy: 2.0478772663168385
Energy: 1.7116256208832326
Energy: 1.9041810451696022
Energy: 2.379789811840193
Energy: 1.9028667038622882
Energy: 1.7116882123587691
Energy: 2.0505735927886297
Energy: 2.0551750487626195
Energy: 1.9474596841982847
Energy: 2.0551751276948975
Energy: 2.056096587929025
Energy: 1.902985383057363
Energy: 2.651029855017559
Energy: 2.044927793414195
Energy: 2.105457388985448
Energy: 1.903443389191829
Energy: 2.056077372425878
Energy: 2.0466579750040466
Energy: 2.051163228006344
Energy: 2.0532884240644353
Energy: 2.044676094240943
Energy: 2.0026361357427462
Energy: 2.056239959077973
Energy: 2.0532999683689415
Energy: 1.7119148978098617
Energy: 2.054413058564504
Energy: 1.9017104597073573
Energy: 2.051369859139999
Energy: 1.9044327746972032
Energy: 2.046772625577996
Energy: 2.2667125292259067
Energy: 1.902820471567374
Energy: 1.9406827900933377
Energy: 1.7114500049606072
Energy: 1.935499530833764
Energy: 2.097031305237434
Energy: 2.2727061250375433
Energy: 1.902771044369374
Energy: 1.9055526792364736
Energy: 1.8723105288519561
Energy: 1.9011534005544257
Energy: 1.903638563513736
Energy: 2.420830320153053
Energy: 2.0774015831098116
Energy: 1.9032957141284985
Energy: 1.7716003766902495
Energy: 2.0602827755324213
Energy: 2.046162614661289
Energy: 2.381370074144427
Energy: 1.9030001405372932
Energy: 1.9044073139946465
Energy: 1.856466202916152
Energy: 1.902825644190499
Energy: 2.0463902662185527

minimum gb energy = 1.710414097266242 eV
minimum distance =  2.40380147929297 Angstroms
sigma value = 11


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

Energy: 2.66560225377211
Energy: 1.9609200262061832
Energy: 1.7744712311694464
Energy: 1.778081881174791
Energy: 1.943603321993219
Energy: 1.943668538232573
Energy: 2.087956872922128
Energy: 1.928512261580443
Energy: 1.842662963141181
Energy: 1.8454154040817858
Energy: 1.7760056409782263
Energy: 1.996238828061588
Energy: 2.093961890614909
Energy: 1.9441284932077123
Energy: 1.9557993833891205
Energy: 1.8453191925918935
Energy: 1.9491014304546064
Energy: 1.9973716685313578
Energy: 2.092505380509345
Energy: 1.959839748139774
Energy: 2.0164083187356594
Energy: 1.9942580469326519
Energy: 1.9585325234773416
Energy: 1.9937749543857564
Energy: 2.0902111812705817
Energy: 1.9581295755788313
Energy: 1.9579595189605081
Energy: 2.0996812939180827
Energy: 1.9544795730447722
Energy: 2.1386772350195042
Energy: 2.089292361301204
Energy: 1.9457526486261225
Energy: 1.9123072590828782
Energy: 2.080429350139825
Energy: 1.9588283765890693
Energy: 2.0787002632348637
Energy: 1.8457219367641053
Energy: 1.950554602887022
Energy: 1.958982651993756
Energy: 1.996309330770596
Energy: 1.9641087684443415
Energy: 1.8355413843705801
Energy: 1.7699523573218234
Energy: 1.9448795263168623
Energy: 1.9472092734905944
Energy: 2.0825875847822304
Energy: 1.946175599389792
Energy: 1.967114296605855
Energy: 1.8658266653197986
Energy: 1.7533399872662923
Energy: 1.9557348102522618
Energy: 2.0031596242047884
Energy: 1.9573431296031725
Energy: 1.7708711237344874
Energy: 1.5940471469774995
Energy: 1.7553527404713607
Energy: 1.756204331105763
Energy: 2.0234431902178165
Energy: 1.75147320620904
Energy: 1.592731763714853
Energy: 1.6870310523691339
Energy: 1.7531764512150143
Energy: 1.7574284150316484
Energy: 2.0013431311224283
Energy: 1.7511506550137523
Energy: 1.7722171152791044
Energy: 1.6235834806311022
Energy: 1.753310051609285
Energy: 1.9648483302038997
Energy: 1.9593982011437165
Energy: 1.9250085750212031
Energy: 1.6297387772540997
Energy: 1.6832359519933269
Energy: 1.760253941231877
Energy: 1.937273520156949
Energy: 1.9901066118405961
Energy: 1.7525906642469713
Energy: 1.7322359308918023
Energy: 1.5903391828318438
Energy: 1.5919070785269112
Energy: 1.883560931220787
Energy: 2.132665725972283
Energy: 1.757544234380062
Energy: 1.5912370954790231
Energy: 1.845844547521456
Energy: 1.766978673186423
Energy: 1.994766477630814
Energy: 2.033506196349891
Energy: 1.9418611109562498
Energy: 1.842051254022092
Energy: 2.0057535403177282
Energy: 1.9511759746234953
Energy: 1.9463371600277213
Energy: 2.083407162794535
Energy: 1.946575154460041
Energy: 1.9785825793442828
Energy: 1.8431846705133816
Energy: 1.9616861087843869
Energy: 1.9903406785686721
Energy: 1.9921850738546751
Energy: 1.9607484034577607
Energy: 2.028478462009118
Energy: 2.091633437401598
Energy: 1.9602463545331656
Energy: 1.9486199670779714
Energy: 2.0936392757388496
Energy: 1.9516825055436298
Energy: 2.0846848298496288
Energy: 2.121883520979951
Energy: 1.9477751271536812
Energy: 2.0825917481228826
Energy: 2.0927065470825044
Energy: 1.9458234655588067
Energy: 1.951280246578641
Energy: 2.0004871289337647
Energy: 1.9630169550704557
Energy: 1.947359209854388
Energy: 1.8466131229923775
Energy: 1.9566263997843962
Energy: 1.960480373795817
Energy: 2.1008562024305575
Energy: 1.9459006078092191
Energy: 1.9656319116796073
Energy: 1.777823450857734
Energy: 1.9483597802894086
Energy: 1.946110466404015
Energy: 2.0970328596761467
Energy: 1.9595215558858443
Energy: 1.756621331212302
Energy: 1.8468999967588442
Energy: 1.7912755669627292
Energy: 1.9598948054391128
Energy: 2.089448573507784
Energy: 1.7546770558600497
Energy: 1.8328761496841088
Energy: 1.5905210651756723
Energy: 1.82699957044622
Energy: 1.9661660215076247
Energy: 2.47626831737456
Energy: 1.7512901404792895
Energy: 1.778404278416234
Energy: 1.6935516639971262
Energy: 1.7571788524398004
Energy: 1.9210931312999426
Energy: 2.476238908433893
Energy: 1.9208144363806678
Energy: 1.6329380107846774
Energy: 1.6263524405942342
Energy: 1.924556685791826
Energy: 1.9926881528769886
Energy: 2.0871961677519666
Energy: 1.7540332717719722
Energy: 1.768979180681861
Energy: 1.6885959811985587
Energy: 1.7499636203031679
Energy: 1.8930506669989149

minimum gb energy = 1.5903391828318438 eV
minimum distance =  2.38843258392648 Angstroms
sigma value = 41


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

Energy: 3.0415213805833172
Energy: 1.4796793439815357
Energy: 1.6554563778531433
Energy: 1.6553674251923027
Energy: 1.5061876530530078
Energy: 1.9692336103813333
Energy: 2.4528746934103194
Energy: 1.7804275371925233
Energy: 1.6681549666879913
Energy: 1.6692073347485268
Energy: 1.6157250829727348
Energy: 1.9047833874695135
Energy: 2.4667925421971146
Energy: 1.9051344651542523
Energy: 1.8450025296501809
Energy: 1.8040618497214125
Energy: 1.7958305668600536
Energy: 1.9063310596142928
Energy: 2.5061797130060346
Energy: 1.7952968644220975
Energy: 1.8454758370979567
Energy: 1.6709337375970301
Energy: 1.7935800422585797
Energy: 1.8417524062398518
Energy: 2.502782690077413
Energy: 1.7951301146933478
Energy: 1.9286617329997253
Energy: 1.8941168921233495
Energy: 1.7966239839865203
Energy: 1.8426279448234189
Energy: 2.4638863869831926
Energy: 1.8658333633695439
Energy: 1.8543021188868951
Energy: 1.8939472827387789
Energy: 1.952158847688531
Energy: 1.8631594542523078
Energy: 2.1703507940720743
Energy: 1.875549682448058
Energy: 1.8645462372898718
Energy: 1.8625361454758074
Energy: 1.8646662235034845
Energy: 1.8650754078819933
Energy: 1.8713007998140259
Energy: 1.894883752616855
Energy: 1.8754480271123577
Energy: 1.7965479791123642
Energy: 1.8778345700770034
Energy: 1.8415919384939867
Energy: 2.18807446385637
Energy: 1.9510035185586792
Energy: 1.8954510489910532
Energy: 1.8639281191976218
Energy: 1.901419229197541
Energy: 1.7952462867911902
Energy: 1.869532368278709
Energy: 1.723024929616254
Energy: 1.795445537950484
Energy: 1.9589918806616518
Energy: 1.7955469513794156
Energy: 1.7208745268773702
Energy: 1.794496518619016
Energy: 1.8016345119982748
Energy: 1.7954217342474401
Energy: 1.8905841628951505
Energy: 1.794063822420143
Energy: 1.757495165812187
Energy: 1.6671616241126808
Energy: 1.8021870848763057
Energy: 1.9061749038671396
Energy: 1.863802055707021
Energy: 1.7951135465584638
Energy: 1.7383270841466048
Energy: 1.665931871407646
Energy: 1.6185662309056665
Energy: 1.612425439932021
Energy: 1.864297303363159
Energy: 1.6111814979646812
Energy: 1.6678233375684606
Energy: 1.5035620920676038
Energy: 1.6177134424930097
Energy: 1.794368198930131
Energy: 1.7932464231073455
Energy: 1.612837527931535
Energy: 1.5072460668242817
Energy: 1.5335662526069436
Energy: 1.6260094111166568
Energy: 1.7930285521669953
Energy: 1.8636894981804992
Energy: 1.7734208016600048
Energy: 1.6107963608573275
Energy: 1.5319104130011967
Energy: 1.612743377946837
Energy: 1.7938433300976666
Energy: 1.8640257405711653
Energy: 1.7804725545312714
Energy: 1.5318476709011948
Energy: 1.5041935917560465
Energy: 1.5313696154014456
Energy: 1.7323011149037304
Energy: 1.9236188341862217
Energy: 1.6123964579062882
Energy: 1.5060139730321291
Energy: 1.6661483724577766
Energy: 1.6688165019730825
Energy: 1.6133097413137567
Energy: 1.8433220072186105
Energy: 1.6138010397646596
Energy: 1.6674824253890748
Energy: 1.6670644908162298
Energy: 1.7957390323398212
Energy: 1.9048031444706532
Energy: 1.8434651292746926
Energy: 1.7971755618514538
Energy: 1.7459631106936262
Energy: 1.7975079884657121
Energy: 1.7940084544249024
Energy: 1.7949524987360064
Energy: 1.8388246845567038
Energy: 1.7956318328468686
Energy: 1.8418314850955715
Energy: 1.6666430640666814
Energy: 1.8443825996679013
Energy: 1.844069894684251
Energy: 1.8440342877669984
Energy: 1.7952122978125715
Energy: 1.7203525615927973
Energy: 2.1662598220779024
Energy: 1.8518545700089624
Energy: 1.8780012933409682
Energy: 1.873850143252227
Energy: 1.950270787977614
Energy: 1.7921064769838388
Energy: 1.8701880809389968
Energy: 1.8646474767517516
Energy: 1.8756346677730704
Energy: 1.7945295707028732
Energy: 1.8780335725962478
Energy: 1.8632314620976396
Energy: 2.18932935267476
Energy: 1.8754936464754146
Energy: 1.862798424156364
Energy: 1.9809175225146751
Energy: 1.876471790893298
Energy: 1.8639241883260835
Energy: 2.479674966163561
Energy: 1.8643325170626108
Energy: 1.9534795485898762
Energy: 1.8950367577360505
Energy: 1.8647928415291812
Energy: 1.863409786254518
Energy: 2.156662501752999
Energy: 1.7973447629806627
Energy: 1.8963124825031898
Energy: 1.8945426251390864
Energy: 1.7930576011972108
Energy: 1.7927734938112114
Energy: 2.1599082308872517
Energy: 1.7969433691321788
Energy: 1.7578538350233124
Energy: 1.7360759278806357
Energy: 1.7960776032341734
Energy: 1.7949853591537908
Energy: 2.477836867575045
Energy: 1.794184257270386
Energy: 1.8028227586579162
Energy: 1.7972028417850197
Energy: 1.7928293690058648
Energy: 1.907598787991288
Energy: 2.180883506855081
Energy: 1.8384037550160934
Energy: 1.6128946310895154
Energy: 1.6698861626001422
Energy: 1.6132665638663952
Energy: 1.8350399955048227
Energy: 2.1613567999155037
Energy: 1.6171859660815653
Energy: 1.4679748659602985
Energy: 1.4676865902059362
Energy: 1.7210205111690047
Energy: 1.8448684866249108
Energy: 2.1827023975830246
Energy: 1.6318113766775673
Energy: 1.611979268861345
Energy: 1.5303687406159887
Energy: 1.6122236752572758
Energy: 1.6134094606971907
Energy: 2.4655009099722696
Energy: 1.796227700438576
Energy: 1.5319692981237394
Energy: 1.5059022468568395
Energy: 1.7798075172164225
Energy: 1.8845298773269166
Energy: 2.4478295362638227
Energy: 1.6115041803109673
Energy: 1.5304784276821648
Energy: 1.5314331982514555
Energy: 1.617113391643111
Energy: 1.732455257798039

minimum gb energy = 1.4676865902059362 eV
minimum distance =  2.3737456443526 Angstroms
sigma value = 33


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

Energy: 2.6046137408600485
Energy: 1.318238841837622
Energy: 1.5002855092642249
Energy: 1.5011401177764858
Energy: 1.5004309562134233
Energy: 1.717399107136926
Energy: 2.6859280607028815
Energy: 1.4300687402970629
Energy: 1.4515398057077016
Energy: 1.4537653979263208
Energy: 1.490601969525594
Energy: 1.5790694650404316
Energy: 2.8957397985937465
Energy: 1.6704115801893678
Energy: 1.6116707230314866
Energy: 1.5505859106634108
Energy: 1.5903486515716083
Energy: 1.677128117141595
Energy: 2.430037501608731
Energy: 1.5909439547584703
Energy: 1.5444565242499864
Energy: 1.4588777228853091
Energy: 1.6031979119481108
Energy: 1.636273178567051
Energy: 2.4264858790999435
Energy: 1.6226516721015027
Energy: 1.6239128524754707
Energy: 1.7750760284192784
Energy: 1.5240606634940261
Energy: 1.6471608575406536
Energy: 2.8943568477415216
Energy: 1.6795179096344062
Energy: 1.682512675525679
Energy: 1.6275062769078719
Energy: 1.6863979419797204
Energy: 1.6769240874156928
Energy: 2.436975627700476
Energy: 1.660614092779302
Energy: 1.6684163270722094
Energy: 1.7394956266359354
Energy: 1.6624624209312537
Energy: 1.6965800995031084
Energy: 2.0523579169213324
Energy: 1.6970667693044277
Energy: 1.7618798447029462
Energy: 1.7081889929905407
Energy: 1.7634213460719026
Energy: 1.7058871313089852
Energy: 2.6711426137359915
Energy: 1.697840735231113
Energy: 1.6871734867938688
Energy: 1.6647177970405813
Energy: 1.6915054968149699
Energy: 1.7029624321936423
Energy: 2.2178012421008986
Energy: 1.7196750836427557
Energy: 1.7039202406871947
Energy: 1.7039810530108959
Energy: 1.706354157431241
Energy: 1.7196766550775167
Energy: 2.0092290670052466
Energy: 1.7059302801416882
Energy: 1.7022099963352242
Energy: 1.720731513037865
Energy: 1.7058300723746198
Energy: 1.7033953162807758
Energy: 2.0009528557477516
Energy: 1.7228088018655672
Energy: 1.7039942573826368
Energy: 1.7050287610624477
Energy: 1.7066497592827508
Energy: 1.7183753006421179
Energy: 2.230660653551665
Energy: 1.6848944276272886
Energy: 1.6915072977631995
Energy: 1.703125714365502
Energy: 1.6849160628985638
Energy: 1.6646677694536447
Energy: 1.7979292737338508
Energy: 1.708307453208964
Energy: 1.6716768406238534
Energy: 1.7032089839312912
Energy: 1.676223784331796
Energy: 1.7045285376248696
Energy: 1.836380973838247
Energy: 1.6632566426157276
Energy: 1.660848755052924
Energy: 1.704796831254656
Energy: 1.66092638099814
Energy: 1.7021283643026224
Energy: 1.8000518697527652
Energy: 1.680063167453347
Energy: 1.6340326569331056
Energy: 1.707163735677207
Energy: 1.6332704180189366
Energy: 1.6507497767625243
Energy: 1.6061195798329784
Energy: 1.7140525447224004
Energy: 1.6673491522270598
Energy: 1.6677663562392595
Energy: 1.523627530398446
Energy: 1.5583795250886756
Energy: 1.6185862117711405
Energy: 1.5248053602059408
Energy: 1.6037197528018554
Energy: 1.69745632563085
Energy: 1.5798727198261935
Energy: 1.542203951235558
Energy: 1.4611034780702665
Energy: 1.5101437218121418
Energy: 1.6569220720854938
Energy: 1.6681400452241364
Energy: 1.5978819212414705
Energy: 1.4915118185276828
Energy: 1.4536254134800635
Energy: 1.4208156197025918
Energy: 1.4209938971059106
Energy: 1.6172656766130795
Energy: 1.429448375857568
Energy: 1.4570856525545863
Energy: 1.3325682114295327
Energy: 1.3563815018375154
Energy: 1.5271082929617827
Energy: 1.665126761342758
Energy: 1.4256303594533872
Energy: 1.3393563577552874
Energy: 1.3607766891587958
Energy: 1.4216112004586305
Energy: 1.6897001171591126
Energy: 1.6795748154131016
Energy: 1.4338619710277305
Energy: 1.351374374391447
Energy: 1.3504990149533387
Energy: 1.4237820660379639
Energy: 1.582944065964623
Energy: 1.7089229238419144
Energy: 1.4340823488914047
Energy: 1.3544264080967792
Energy: 1.3359438627665483
Energy: 1.3342714574447874
Energy: 1.675218960827079
Energy: 1.6255977879029893
Energy: 1.3525920499009094
Energy: 1.3390903413913235
Energy: 1.4518775580144119
Energy: 1.4283085475396151
Energy: 1.6377551267391326
Energy: 1.7002010111056487
Energy: 1.4263478412135433
Energy: 1.4527522413255527
Energy: 1.452815347598799
Energy: 1.602523758557622
Energy: 1.6712234223525506
Energy: 1.7084567508218595
Energy: 1.5788295204176088
Energy: 1.542643007499942
Energy: 1.547756539287741
Energy: 1.5842942898882426
Energy: 1.6149152426676465
Energy: 1.697484466642851
Energy: 1.623751134853
Energy: 1.5485942032495306
Energy: 1.7967158226197355
Energy: 1.6239657971040187
Energy: 1.6313005358354364
Energy: 1.6962994474690205
Energy: 1.5826636035276462
Energy: 1.6248176117731237
Energy: 1.7976565193474559
Energy: 1.6811613660920646
Energy: 1.681513046983561
Energy: 1.7038392176339703
Energy: 1.7101301179836206
Energy: 1.5469269387030051
Energy: 2.129411980145528
Energy: 1.6636693989841547
Energy: 1.6609770068877994
Energy: 1.7048154949770833
Energy: 1.6612258139877123
Energy: 1.6934860716524796
Energy: 1.8206055397683591
Energy: 1.761393613540494
Energy: 1.7044593964731543
Energy: 1.755319632011788
Energy: 1.697364076767252
Energy: 1.7013287485033637
Energy: 2.2142209576268117
Energy: 1.6840541557340316
Energy: 1.695293874345768
Energy: 1.7039589274230211
Energy: 1.6986729610493445
Energy: 1.6674980038451217
Energy: 2.2155933483612626
Energy: 1.7050879118278353
Energy: 1.7050431151930883
Energy: 1.696747159155868
Energy: 1.7071207181163488
Energy: 1.7132782899965504
Energy: 2.215269535510273
Energy: 1.7033988590837508
Energy: 1.70207118825549
Energy: 1.733899538129914
Energy: 1.7054563536706797
Energy: 1.712864061497545
Energy: 2.2146024235962254
Energy: 1.7052290454961834
Energy: 1.7019833722455153
Energy: 1.7308282381223155
Energy: 1.7154196625383904
Energy: 1.703529142297646
Energy: 2.429756877878234
Energy: 1.6944165200953605
Energy: 1.6859285390377996
Energy: 1.829666221654071
Energy: 1.6863648644792335
Energy: 1.6962379724587036
Energy: 2.231187269283917
Energy: 1.6968912315211198
Energy: 1.7281947948818932
Energy: 1.6749766318274675
Energy: 1.7302400661819948
Energy: 1.7060820277491797
Energy: 2.433070880268452
Energy: 1.66045420418012
Energy: 1.6797790756236453
Energy: 1.6888047410829143
Energy: 1.661565028020616
Energy: 1.6921951718214574
Energy: 2.8975007573229705
Energy: 1.710576906898684
Energy: 1.6805377566089037
Energy: 1.7718721130303223
Energy: 1.6797961542568123
Energy: 1.7096785074470264
Energy: 2.4259995872584845
Energy: 1.6574315020153563
Energy: 1.627302101213204
Energy: 1.6258321746062567
Energy: 1.5230862609447475
Energy: 1.6727684096474569
Energy: 2.4227346751015744
Energy: 1.6022722152870368
Energy: 1.5293422498875617
Energy: 1.5445185396106305
Energy: 1.5232852521457512
Energy: 1.6043670829760885
Energy: 2.8847269080564404
Energy: 1.6751358347143102
Energy: 1.5416050476256058
Energy: 1.4556481491015505
Energy: 1.6137959740453036
Energy: 1.655684580600806
Energy: 2.4253048190483266
Energy: 1.4238344954617217
Energy: 1.451102274684451
Energy: 1.4527388674293025
Energy: 1.4269458328176845
Energy: 1.4214500510264503
Energy: 2.427262945833459
Energy: 1.3544502087121317
Energy: 1.338763036948991
Energy: 1.3386194951867343
Energy: 1.3583105119554455
Energy: 1.6873597081876566
Energy: 2.6590474624092586
Energy: 1.425985971536872
Energy: 1.4586014263438671
Energy: 1.3543088388016884
Energy: 1.4291002259452792
Energy: 1.5846207996995079
Energy: 2.891291005262777
Energy: 1.6086922465250975
Energy: 1.4348670136961021
Energy: 1.3596953196539754
Energy: 1.4292134037804285
Energy: 1.6697769750118743
Energy: 2.419889015207413
Energy: 1.3518628928459762
Energy: 1.3352472134366933
Energy: 1.3337817037221482
Energy: 1.3513306292497917
Energy: 1.626057424998863

minimum gb energy = 1.318238841837622 eV
minimum distance =  2.41747049895999 Angstroms
sigma value = 67


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

Energy: 0.39834849757286994
Energy: 0.3987529696162933
Energy: 0.8029293123182376
Energy: 0.5961208318983638
Energy: 0.8061980084705556
Energy: 0.398663185321706
Energy: 0.3996690963543494
Energy: 0.5960667304176068
Energy: 0.5961133490883291
Energy: 0.5961186085905876
Energy: 0.5964373262307694
Energy: 0.5961910078213228
Energy: 27.329640086489782
Energy: 0.5962602523188556
Energy: 0.5964051890853067
Energy: 2.0232388542464785
Energy: 0.5963711505246229
Energy: 0.5963217740627217
Energy: 0.39852183375621947
Energy: 0.5965787398311845
Energy: 0.5967027724924516
Energy: 0.5958376240676125
Energy: 0.5965688171874267
Energy: 0.39877843969598176
Energy: 0.3992839919690118
Energy: 0.6312678466863522
Energy: 0.5977146033620129
Energy: 0.5991169847334374
Energy: 0.5976162970943758
Energy: 0.40004611504440507
Energy: 27.219967926722013
Energy: 0.5963389964582494
Energy: 0.5966309260804247
Energy: 0.5959600022903577
Energy: 0.5962969409486388
Energy: 0.5964754014490903
Energy: 0.3991314134847918
Energy: 0.5961413719732351
Energy: 0.5961763590362137
Energy: 2.0226121438259823
Energy: 0.596128861904791
Energy: 0.5961823832705729

minimum gb energy = 0.39834849757286994 eV
minimum distance =  2.65866640506114 Angstroms
sigma value = 3


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

Energy: 3.08254994848473
Energy: 1.5465788192400935
Energy: 1.5684837146702866
Energy: 1.5689498788246206
Energy: 1.6792459191565106
Energy: 1.6576595932064873
Energy: 2.838528887290031
Energy: 1.5635799015504375
Energy: 1.307959434708293
Energy: 1.3130750113081069
Energy: 1.3091029934387781
Energy: 1.6135476272313904
Energy: 2.7931033243260597
Energy: 1.5648206701411982
Energy: 1.3070727829103133
Energy: 1.3115659286170525
Energy: 1.307596295296183
Energy: 1.6135703939295578
Energy: 3.06759656809552
Energy: 1.4232570152167894
Energy: 1.3046995738739788
Energy: 1.3097794725697047
Energy: 1.3058112140337375
Energy: 1.6042073423912018
Energy: 2.794201840911933
Energy: 1.426078901331242
Energy: 1.4182444674711592
Energy: 1.4379003656570937
Energy: 1.4223013116863477
Energy: 1.6065881143913259
Energy: 2.7894688496779927
Energy: 1.5648543626011584
Energy: 1.4460900459909036
Energy: 1.4507663550833707
Energy: 1.4465935446286553
Energy: 1.653028243174313
Energy: 2.829628214176466
Energy: 1.6060410640221905
Energy: 1.4243646162893666
Energy: 1.4384651854002175
Energy: 1.425673370459582
Energy: 1.6137633352696583
Energy: 2.6248715283362802
Energy: 1.604886291318244
Energy: 1.6037940065465184
Energy: 1.4838822951536643
Energy: 1.5994004609748418
Energy: 1.6744247392546612
Energy: 2.798720229790372
Energy: 1.6120317625497291
Energy: 1.608867543830718
Energy: 1.6149660215087336
Energy: 1.6141607530920743
Energy: 1.6100301039646892
Energy: 2.7948698556691283
Energy: 1.675786136062331
Energy: 1.606547528610163
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Energy: 1.603854221788096
Energy: 1.6760990849261646
Energy: 2.5971273712643446
Energy: 1.6750694972974338
Energy: 1.6878482442308327
Energy: 1.6724881204470499
Energy: 1.6761224368023262
Energy: 1.673693073117415
Energy: 2.575406404793613
Energy: 1.6753153574551893
Energy: 1.6801394423810814
Energy: 1.8121607774327442
Energy: 1.6870394574541656
Energy: 1.6807208872204036
Energy: 2.5875979629600656
Energy: 1.677688235821519
Energy: 1.6778541179637683
Energy: 1.646049617752658
Energy: 1.6789399224026402
Energy: 1.716467270454694
Energy: 2.602080716478846
Energy: 1.6999017092394064
Energy: 1.6761732037947086
Energy: 1.676104725065929
Energy: 1.7301938796702414
Energy: 1.7000724611089177
Energy: 2.205295626216707
Energy: 1.7033806227241566
Energy: 1.7065347182682251
Energy: 1.680410538062733
Energy: 1.7056582053932006
Energy: 1.6994788067238658
Energy: 2.235057316045811
Energy: 1.6992546121917467
Energy: 1.6995483126144784
Energy: 1.6946551709614301
Energy: 1.7026562141396901
Energy: 1.6982915258781317
Energy: 2.1810057449606224
Energy: 1.7112860142490671
Energy: 1.6997178968627127
Energy: 1.697170951523105
Energy: 1.7019039279145793
Energy: 1.6763306387516108
Energy: 2.2062392427132917
Energy: 1.6747229415181029
Energy: 1.6777420772473357
Energy: 1.7004695365417934
Energy: 1.6748355963108827
Energy: 1.6800063295849959
Energy: 2.1793948669204126
Energy: 1.6772007353877794
Energy: 1.6739734567767588
Energy: 1.695913844573347
Energy: 1.6740233478069078
Energy: 1.6788639622605606
Energy: 1.8257131137231453
Energy: 1.6903442436632448
Energy: 1.673997813286708
Energy: 1.6968111727916944
Energy: 1.6745084586645422
Energy: 1.6632511282648104
Energy: 1.814463981533724
Energy: 1.6056822022593673
Energy: 1.6754473518947754
Energy: 1.7321913931145323
Energy: 1.6488310491385787
Energy: 1.6073291392746536
Energy: 1.8563550947213574
Energy: 1.612741918484752
Energy: 1.6083371724112905
Energy: 1.7340363509297798
Energy: 1.6126710034987801
Energy: 1.6125402073013664
Energy: 1.4994047336150067
Energy: 1.6078977047772562
Energy: 1.648433747803021
Energy: 1.701244340302712
Energy: 1.5987942512806539
Energy: 1.502083859373506
Energy: 1.4578306572109567
Energy: 1.423296264368096
Energy: 1.6126629390983787
Energy: 1.6751709017430374
Energy: 1.6137797725855147
Energy: 1.4246543901268773
Energy: 1.507587458945355
Energy: 1.453796505235248
Energy: 1.566944026581631
Energy: 1.6787056415116413
Energy: 1.5643579691761296
Energy: 1.4476174311626622
Energy: 1.4617079972685312
Energy: 1.4231684828235465
Energy: 1.5549123450628
Energy: 1.6520654191526296
Energy: 1.4228774232900254
Energy: 1.4174778808862607
Energy: 1.3194746874664744
Energy: 1.3055301148395886
Energy: 1.555290182307328
Energy: 1.650725590791961
Energy: 1.4230980756194749
Energy: 1.3050448250788336
Energy: 1.312482377211889
Energy: 1.3074375223812347
Energy: 1.5650049497433092
Energy: 1.6525467509280485
Energy: 1.4245514037686415
Energy: 1.3070093541033116
Energy: 1.3131179624346565
Energy: 1.3097577201585777
Energy: 1.5644080403805989
Energy: 1.6539581554779874
Energy: 1.4466159952479387
Energy: 1.3106212638559984
Energy: 1.3052899080245124
Energy: 1.416266631109566
Energy: 1.6059615108161207
Energy: 1.6742358922602183
Energy: 1.416410469130787
Energy: 1.423861722663253
Energy: 1.51233889715896
Energy: 1.4538303852671315
Energy: 1.56522998486099
Energy: 1.6751087493808319
Energy: 1.4529947102448268
Energy: 1.4549694104282593
Energy: 1.4549716270361537
Energy: 1.4233019737611452
Energy: 1.6143547211870632
Energy: 1.677676811478919
Energy: 1.4763536989806738
Energy: 1.4267631714999087
Energy: 1.4916172852510619
Energy: 1.5036621166014497
Energy: 1.60455371887445
Energy: 1.6973856021514933
Energy: 1.6052149690716928
Energy: 1.5077282372559044
Energy: 1.806603817499052
Energy: 1.607168195472977
Energy: 1.6169180442073365
Energy: 1.679531533988225
Energy: 1.6058819619516882
Energy: 1.6084268187589708
Energy: 1.8117067651010221
Energy: 1.606518689232654
Energy: 1.613134010907632
Energy: 1.7308217203662846
Energy: 1.6046257102324133
Energy: 1.6087200283382312
Energy: 1.808618810380013
Energy: 1.6463825370949203
Energy: 1.6776564632944568
Energy: 1.676441733378539
Energy: 1.678503682688686
Energy: 1.607189950770898
Energy: 1.8515984104971674
Energy: 1.6846888615903504
Energy: 1.6744811432535749
Energy: 1.6996373067639623
Energy: 1.6750438025888863
Energy: 1.6883095302888518
Energy: 2.1128447010950357
Energy: 1.6755401298995047
Energy: 1.6773077561936895
Energy: 1.7006148212628147
Energy: 1.677942693564559
Energy: 1.6826419906189405
Energy: 2.1985682887341733
Energy: 1.673370821617068
Energy: 1.7006536527365521
Energy: 1.6982491621591431
Energy: 1.7178785930525138
Energy: 1.6790551006246879
Energy: 2.207426724980298
Energy: 1.7039731150290607
Energy: 1.7001990432893157
Energy: 1.676223204896355
Energy: 1.7018204532304915
Energy: 1.7302244241442812
Energy: 2.3757531292153873
Energy: 1.7029897686268398
Energy: 1.703121868631039
Energy: 1.69974941791502
Energy: 1.7030525710328168
Energy: 1.6997504616945995
Energy: 2.448241711071806
Energy: 1.7045553119464012
Energy: 1.7019582465803038
Energy: 1.6877151111304638
Energy: 1.7021513653473401
Energy: 1.6987799431461188
Energy: 2.580473161839266
Energy: 1.7274441576748523
Energy: 1.6773000806083993
Energy: 1.6778282990814755
Energy: 1.6774873814842104
Energy: 1.698941463351428
Energy: 2.5801417285421016
Energy: 1.6788279370178636
Energy: 1.676099331311214
Energy: 1.678470999394909
Energy: 1.6774694089951887
Energy: 1.681651216036006
Energy: 2.5976525693802244
Energy: 1.6748515127854213
Energy: 1.6899120834543635
Energy: 1.7174277463426781
Energy: 1.6817612939414242
Energy: 1.692726787362201
Energy: 2.7883492478146206
Energy: 1.6756091006566936
Energy: 1.6100731179058603
Energy: 1.6087265483189954
Energy: 1.6490069527195568
Energy: 1.6779694078592524
Energy: 2.7916776922002287
Energy: 1.613630074364935
Energy: 1.6162890365184617
Energy: 1.6141652450221355
Energy: 1.6101403750981214
Energy: 1.6608229261237508
Energy: 2.8084908567698204
Energy: 1.6074604614867358
Energy: 1.603842392688589
Energy: 1.6094683302308013
Energy: 1.604617822444896
Energy: 1.6462822182304955
Energy: 2.7772574546006696
Energy: 1.6047604204368993
Energy: 1.5037487928297955
Energy: 1.5015004821804525
Energy: 1.4958282576679973
Energy: 1.6482856211500072
Energy: 2.7894476141609794
Energy: 1.612178687608534
Energy: 1.4231748640629118
Energy: 1.4372451578980954
Energy: 1.4228490845835633
Energy: 1.6151810563464128
Energy: 2.835886224353308
Energy: 1.4535755437134048
Energy: 1.4462593573134281
Energy: 1.4509452021983786
Energy: 1.4457891127510096
Energy: 1.6118640173053984

minimum gb energy = 1.3046995738739788 eV
minimum distance =  2.39500490126261 Angstroms
sigma value = 81


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

Energy: 3.465662543885543
Energy: 1.7118085656471496
Energy: 1.759780509682023
Energy: 1.7622282615042466
Energy: 1.9074891221838384
Energy: 1.8891276788500448
Energy: 2.702569895318166
Energy: 1.66214663899966
Energy: 1.470292636181979
Energy: 1.4682408252735721
Energy: 1.4700885531848162
Energy: 1.7836601921404036
Energy: 2.4498199100736273
Energy: 1.5502131691217425
Energy: 1.4689048148642312
Energy: 1.472712226682215
Energy: 1.470787402606877
Energy: 1.861324106675667
Energy: 2.8207889120573197
Energy: 1.6261905699396009
Energy: 1.4736778357771847
Energy: 1.4751357269003682
Energy: 1.4677802965346507
Energy: 1.822978752818041
Energy: 2.430511693910245
Energy: 1.6257264061256735
Energy: 1.6226239539595075
Energy: 1.631708581853652
Energy: 1.6251357165266451
Energy: 1.823307983409741
Energy: 2.4493219612337622
Energy: 1.63253835889591
Energy: 1.6582293957331415
Energy: 1.6972062769970218
Energy: 1.6608180939104038
Energy: 1.8631408193654584
Energy: 2.4401031996057725
Energy: 1.857530825804168
Energy: 1.6249182880807997
Energy: 1.6214793894725157
Energy: 1.6273332378117513
Energy: 1.857774791232089
Energy: 2.8903690161775466
Energy: 1.8545765583940597
Energy: 1.8675569377760215
Energy: 1.720492808405141
Energy: 1.8670884943057535
Energy: 1.899346416454825
Energy: 2.703507340043384
Energy: 1.8819461912374797
Energy: 1.85673941890387
Energy: 1.8203321476230678
Energy: 1.8574096164198206
Energy: 1.8839128152691271
Energy: 2.452765277960797
Energy: 1.9002813385267068
Energy: 1.8527620828114355
Energy: 1.857785203126477
Energy: 1.8547651910810001
Energy: 1.9013223840222893
Energy: 2.303901929211212
Energy: 1.8969874428325149
Energy: 1.875296901771054
Energy: 1.8589069419827489
Energy: 1.8986380053270195
Energy: 1.897156885044035
Energy: 2.451177362736565
Energy: 1.9001539596242651
Energy: 1.8981387353971717
Energy: 1.8981354036782014
Energy: 1.900051467010765
Energy: 1.8998234726500332
Energy: 2.2103370570823744
Energy: 1.8813801310839666
Energy: 1.9010445532923437
Energy: 1.8960696530646013
Energy: 1.9030072597523746
Energy: 1.8061524094844088
Energy: 2.1780309685121635
Energy: 1.805665123634212
Energy: 1.9018631327147144
Energy: 1.8934216712400629
Energy: 1.8715368048276326
Energy: 1.805011982017611
Energy: 2.204231052443086
Energy: 1.8151548804682034
Energy: 1.8679044993675638
Energy: 1.986374215047576
Energy: 1.8123725058706137
Energy: 1.814050847651725
Energy: 1.8196246187744431
Energy: 1.82916465511144
Energy: 1.8755087116483664
Energy: 1.8979396614791608
Energy: 1.8061072415013133
Energy: 1.8885775927397745
Energy: 1.7903223435994096
Energy: 1.719217868693036
Energy: 1.8139898701758388
Energy: 1.9015217932141086
Energy: 1.8133472908088628
Energy: 1.7168810137115147
Energy: 1.8279312893618116
Energy: 1.704664361722729
Energy: 1.7868193775639913
Energy: 1.8809073636615132
Energy: 1.70519414456732
Energy: 1.70118917386893
Energy: 1.799240079033854
Energy: 1.7154960200478002
Energy: 1.7859052775760758
Energy: 1.8786111805214303
Energy: 1.7844369863384355
Energy: 1.7135553520843316
Energy: 1.6021151693200495
Energy: 1.5662718488871432
Energy: 1.7852343272226092
Energy: 1.8782483829025822
Energy: 1.7845468197630203
Energy: 1.5677124570080054
Energy: 1.5596350071691532
Energy: 1.5188006908847584
Energy: 1.7934409991354001
Energy: 1.8802060363151907
Energy: 1.5238306844109857
Energy: 1.5192559111136588
Energy: 1.5918731790023386
Energy: 1.5671171046172618
Energy: 1.855935771011479
Energy: 1.878865675218298
Energy: 1.6127976307415517
Energy: 1.5667853260541336
Energy: 1.8485598027467764
Energy: 1.8590453416255948
Energy: 1.8340266557688092
Energy: 1.9103313454385902
Energy: 1.8604623854197946
Energy: 1.553699248012861
Energy: 1.7587958943544082
Energy: 1.6121151196395902
Energy: 1.8558328360933343
Energy: 1.9657308734349141
Energy: 1.6126480645073498
Energy: 1.612570425953716
Energy: 1.6844683250332722
Energy: 1.571804714897317
Energy: 1.851605850399281
Energy: 1.9000668165938492
Energy: 1.5723612841616414
Energy: 1.5718146776155228
Energy: 1.7290049992988947
Energy: 1.6265110136227707
Energy: 1.851701028996789
Energy: 1.8954389160617935
Energy: 1.851301507722161
Energy: 1.6293247195185314
Energy: 2.173536838643307
Energy: 1.8525455734823846
Energy: 1.8512530456159884
Energy: 1.895176900828817
Energy: 1.850901277888018
Energy: 1.8594121386733444
Energy: 2.100142200420916
Energy: 1.849807519493647
Energy: 1.8501756063560173
Energy: 1.9303384313794167
Energy: 1.8477890662050969
Energy: 1.849320293779395
Energy: 2.1778296353045827
Energy: 1.8534386882249583
Energy: 1.9007995109168225
Energy: 1.9015407724980298
Energy: 1.9025155181560551
Energy: 1.851872235108101
Energy: 2.2039726726873727
Energy: 1.9416038161841924
Energy: 1.9064523912641786
Energy: 1.8679104457040365
Energy: 1.9260008377592666
Energy: 1.9128650518327484
Energy: 2.5931568867133534
Energy: 1.903557546383913
Energy: 1.9280151692087033
Energy: 1.8616825938324024
Energy: 1.9232100678382293
Energy: 1.8956156874494003
Energy: 2.439633521608866
Energy: 1.9048211982506107
Energy: 1.8659102027003889
Energy: 1.8624861794326275
Energy: 1.904639099070324
Energy: 1.902646560702366
Energy: 2.4491363972819498
Energy: 1.857746182191169
Energy: 1.8572337050654752
Energy: 1.9093579024100782
Energy: 1.8572149015677768
Energy: 1.9089305215216394
Energy: 2.5532866117108663
Energy: 1.857148923893151
Energy: 1.857258735481031
Energy: 1.863728187734678
Energy: 1.8559542245177625
Energy: 1.8729171690596738
Energy: 2.588500248489817
Energy: 1.857712288378355
Energy: 1.7297845238028622
Energy: 1.721882556231815
Energy: 1.7264849182054216
Energy: 1.8730076367685167
Energy: 2.448679616709384
Energy: 1.787385187178618
Energy: 1.6256508328727461
Energy: 1.6413696512235711
Energy: 1.626996482536298
Energy: 1.8614190427199602
Energy: 2.472877404136253
Energy: 1.7429888321136087
Energy: 1.6601431672418747
Energy: 1.6582483114331168
Energy: 1.6609530224407687
Energy: 1.7851239223054471
Energy: 3.193281887685269
Energy: 1.6270380460151121
Energy: 1.6212156693016333
Energy: 1.4817270725922689
Energy: 1.6220313204186945
Energy: 1.8751322434500417

minimum gb energy = 1.4677802965346507 eV
minimum distance =  2.47165539038551 Angstroms
sigma value = 43


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

Energy: 2.972583754107699
Energy: 1.9696535197648348
Energy: 1.8648803885252647
Energy: 1.8677724886787446
Energy: 2.0506545343951905
Energy: 2.043999455369229
Energy: 2.150654466601419
Energy: 1.78620393116341
Energy: 1.5547861876243199
Energy: 1.5536272872745847
Energy: 1.5545712105526035
Energy: 2.000808072694373
Energy: 2.163104925041863
Energy: 1.7633282440126843
Energy: 1.5551909948775793
Energy: 1.5564624133342335
Energy: 1.5550870652091549
Energy: 2.007797940078593
Energy: 2.814649682863155
Energy: 1.748047510493732
Energy: 1.5597966802784053
Energy: 1.561751602958329
Energy: 1.5533647561734325
Energy: 2.001355045876479
Energy: 2.170150269308437
Energy: 1.748232590723076
Energy: 1.7456150825880408
Energy: 1.7468898028053683
Energy: 1.7471534247887355
Energy: 2.000534633939916
Energy: 2.1811211615212143
Energy: 1.757292045210721
Energy: 1.7836282478358825
Energy: 1.7878322322775517
Energy: 1.7842057331542376
Energy: 1.950901843401509
Energy: 2.1572800167666015
Energy: 2.001751337405479
Energy: 1.7468628003833238
Energy: 1.7474143418937484
Energy: 1.7485711944832
Energy: 2.0012085660542644
Energy: 2.4668191596264704
Energy: 2.0204699214129165
Energy: 2.037487177889166
Energy: 1.7473819510033546
Energy: 2.038078825574094
Energy: 2.0047672345116405
Energy: 2.147021493339656
Energy: 2.0222380255405015
Energy: 2.001768427730574
Energy: 1.946652625109329
Energy: 2.0186094870480087
Energy: 2.0192407141758055
Energy: 2.4466186880128555
Energy: 2.0012826278041893
Energy: 2.003670588846857
Energy: 2.0148337584032427
Energy: 2.002258618462906
Energy: 2.026282660499526
Energy: 2.47188896172361
Energy: 1.999397100239552
Energy: 2.0373865134256812
Energy: 2.0128116092078265
Energy: 2.018209086797276
Energy: 2.000626354418101
Energy: 2.163486376333971
Energy: 2.0007154934197877
Energy: 2.0018384181436653
Energy: 2.0236479051996974
Energy: 2.0017009937888712
Energy: 2.014561874905055
Energy: 1.8685345651136973
Energy: 1.8791982245370455
Energy: 2.0256318612516195
Energy: 2.0258318045498935
Energy: 2.002405594793877
Energy: 1.7829430002479114
Energy: 1.8163326681695595
Energy: 1.7473668123323147
Energy: 2.005100917294497
Energy: 2.1062773770496346
Energy: 1.9505251402777288
Energy: 1.7475199485447361
Energy: 1.868370836131538
Energy: 1.7836769188781036
Energy: 1.9490978665829053
Energy: 2.0029658633224616
Energy: 1.7843279392147144
Energy: 1.7873336179853034
Energy: 1.5818257855156654
Energy: 1.7465433807414183
Energy: 1.9481345488361013
Energy: 2.0247444807601465
Energy: 1.7471837952725047
Energy: 1.5823807612479557
Energy: 1.5534331016227372
Energy: 1.5548387362168792
Energy: 1.9501397642210172
Energy: 2.0954086211094762
Energy: 1.5546898161675908
Energy: 1.5554939229804015
Energy: 1.5565441323037637
Energy: 1.5548578170797032
Energy: 1.9514367882168648
Energy: 2.1047605044098194
Energy: 1.7708742185895632
Energy: 1.5549138782685408
Energy: 1.5602074096974485
Energy: 1.5535570762168878
Energy: 1.7490353098398785
Energy: 1.9993649266959193
Energy: 1.7473877306677812
Energy: 1.5587012556835704
Energy: 1.828317763590511
Energy: 1.7458451881837687
Energy: 1.7479524724461513
Energy: 1.9998945712437768
Energy: 1.7480397404294539
Energy: 1.7459848178752169
Energy: 1.8864449532510128
Energy: 1.7841353725354778
Energy: 1.9511914456120742
Energy: 2.020036980847882
Energy: 1.7849810447714596
Energy: 1.785880934270892
Energy: 1.8296220578414513
Energy: 1.7465262910218373
Energy: 2.0015462610030466
Energy: 2.1050597078387168
Energy: 1.7477092466778361
Energy: 1.746090262795566
Energy: 1.8298637322234625
Energy: 2.027083898632309
Energy: 2.0359864756475847
Energy: 2.155184842382706
Energy: 2.0300629536397943
Energy: 1.8800633389781964
Energy: 2.1112956023984344
Energy: 1.9996169054613364
Energy: 2.0227540359864857
Energy: 2.0531018199196738
Energy: 2.017956160616321
Energy: 1.999312210101792
Energy: 2.4513169238515466
Energy: 2.001827660362709
Energy: 2.0017763262442028
Energy: 2.027119968322928
Energy: 2.0430401845607635
Energy: 2.001015089125389
Energy: 2.160167742349379
Energy: 2.0419060569860417
Energy: 2.00129315923577
Energy: 2.00839156118022
Energy: 2.001082945970453
Energy: 2.0137068415550696
Energy: 2.11253036700865
Energy: 2.0016046960990908
Energy: 2.0010953193358536
Energy: 2.0139609666386895
Energy: 2.0022719675856027
Energy: 2.0205813907670342
Energy: 2.8285855812920886
Energy: 2.004082115210882
Energy: 1.8947363263220427
Energy: 1.7844904314244803
Energy: 1.8816572535012746
Energy: 2.026521755526007
Energy: 2.162329429912438
Energy: 2.0047204872165794
Energy: 1.7482198709455736
Energy: 1.7466231585653829
Energy: 1.7473506687141374
Energy: 2.022549985582285
Energy: 2.1817455956932084
Energy: 1.9511430276750243
Energy: 1.7836085704271467
Energy: 1.7890687881025389
Energy: 1.784236977285735
Energy: 2.0056867295368064
Energy: 2.8182272432976214
Energy: 1.749032336472225
Energy: 1.7460505310408578
Energy: 1.5836865825354327
Energy: 1.7476910015005174
Energy: 1.9509081481115336

minimum gb energy = 1.5533647561734325 eV
minimum distance =  2.47052435561806 Angstroms
sigma value = 57


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

Energy: 2.5168798985667653
Energy: 2.192720285697208
Energy: 1.6884065416348817
Energy: 2.014564765810232
Energy: 2.2549069379520157
Energy: 2.193012066432365
Energy: 2.1279108442021664
Energy: 1.9580348945866675
Energy: 1.6889721896483199
Energy: 1.6871788731182817
Energy: 1.659749210289802
Energy: 2.161445237359575
Energy: 2.059685550055782
Energy: 1.9584487641569543
Energy: 1.6864056782461818
Energy: 1.6879493642922958
Energy: 1.6879032829509824
Energy: 2.138057948306012
Energy: 2.9622286442627916
Energy: 1.9338566354670703
Energy: 1.660625990287722
Energy: 1.6920449298473568
Energy: 1.6603156233876475
Energy: 2.1649743430070796
Energy: 2.9683202157521666
Energy: 1.9213137583079876
Energy: 1.9330013403906647
Energy: 1.9354325130043526
Energy: 1.9315023487242393
Energy: 2.1595143316785763
Energy: 2.0596995800734557
Energy: 1.922070578453941
Energy: 1.9589547035681658
Energy: 1.9630400895443516
Energy: 1.956723843811504
Energy: 2.135472008889808
Energy: 2.4777193064733507
Energy: 2.1613267806062724
Energy: 1.9205773872365415
Energy: 1.9341592659046463
Energy: 1.9926110612876013
Energy: 2.167589092977073
Energy: 2.1112191614841733
Energy: 2.1697771376034973
Energy: 2.011081725158469
Energy: 1.9608917872227243
Energy: 2.190312921599041
Energy: 2.168780332350036
Energy: 1.6917028806813024
Energy: 2.188513345882133
Energy: 2.138906622281078
Energy: 2.138320956910888
Energy: 2.1809093690744232
Energy: 1.9932089373917132
Energy: 2.0707017306427113
Energy: 1.9211654415975294
Energy: 2.1599127403580285
Energy: 2.133227021004913
Energy: 2.168091375289028
Energy: 1.9329174212862459
Energy: 2.0621476999481896
Energy: 1.9317353972291587
Energy: 2.1365142199360587
Energy: 2.223702382231986
Energy: 1.9215826901494746
Energy: 1.957281709337545
Energy: 2.0660914496883627
Energy: 1.9228911007510183
Energy: 1.9222419573766878
Energy: 2.1342263489329873
Energy: 1.9206585958853761
Energy: 1.9244903864667788
Energy: 1.6611628758267312
Energy: 1.6613348971012274
Energy: 2.16582939697451
Energy: 2.1349724001553265
Energy: 1.9336799878733084
Energy: 1.6614918935092349
Energy: 1.6871044372871062
Energy: 1.6868929007032196
Energy: 2.146023658693673
Energy: 2.223276906669343
Energy: 1.6871351447186866
Energy: 1.6860130741777788
Energy: 1.6902271232452957
Energy: 1.6890449143498527
Energy: 1.9574528108422842
Energy: 2.224250446320685
Energy: 1.6878276462221482
Energy: 1.6885579433699922
Energy: 1.659467869235391
Energy: 1.6890696941617538
Energy: 2.1661528803099857
Energy: 2.1651522651548634
Energy: 1.934734146783636
Energy: 1.6626209525814204
Energy: 2.0661339194165804
Energy: 1.9219113044285911
Energy: 1.9575825483376774
Energy: 2.223834012649781
Energy: 1.9221239046017848
Energy: 1.921750929554995
Energy: 2.064130862116252
Energy: 1.9195877290499297
Energy: 2.1451312284188027
Energy: 2.2245670918166476
Energy: 1.9212898358020296
Energy: 1.9212519497111669
Energy: 2.0979780728228756
Energy: 1.9987134584891537
Energy: 2.1645122075354415
Energy: 2.1597414733561746
Energy: 2.1713536697701805
Energy: 1.9333904840588045
Energy: 2.097601214503583
Energy: 2.1845211851545323
Energy: 2.1670767177442993
Energy: 2.1598313490304246
Energy: 2.1701684724546006
Energy: 2.1881037190076644
Energy: 2.4683588533066376
Energy: 2.1810334491377685
Energy: 2.0073635942174226
Energy: 1.9830305592114816
Energy: 2.1849607252728878
Energy: 2.1335371791215456
Energy: 2.0589099106700433
Energy: 2.1622974508190587
Energy: 1.9211864570106183
Energy: 1.9349920670511516
Energy: 1.9217066261469704
Energy: 2.188829730453975
Energy: 2.1056260016924613
Energy: 2.137088992069284
Energy: 1.9636683544204445
Energy: 1.9624807594638511
Energy: 1.9552223135456996
Energy: 2.185934553886969
Energy: 3.0145949517662096
Energy: 1.933788336517874
Energy: 1.9337843417051723
Energy: 1.7516024135672812
Energy: 1.9348726526726336
Energy: 2.165511820215105

minimum gb energy = 1.659467869235391 eV
minimum distance =  2.48928067443589 Angstroms
sigma value = 17


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

Energy: 3.0821047582886267
Energy: 2.327146342653539
Energy: 2.199554796308671
Energy: 2.1635048860658572
Energy: 2.451273033203768
Energy: 2.3290456245069318
Energy: 1.8082506477995746
Energy: 1.8227481960512941
Energy: 1.8152496595374914
Energy: 1.82124189217253
Energy: 1.8284651154707567
Energy: 2.125690200822777
Energy: 1.8563907424030477
Energy: 1.811120797424744
Energy: 1.81233413114127
Energy: 1.8277729801356128
Energy: 1.8118699718450149
Energy: 2.031183030492399
Energy: 2.427900779026598
Energy: 2.16247474120628
Energy: 1.8196376575951017
Energy: 1.8172807935978734
Energy: 1.8322765633824154
Energy: 2.163083752984495
Energy: 2.428520171453038
Energy: 2.127826942653614
Energy: 2.1231662920003
Energy: 1.9027279939815858
Energy: 2.121386874031622
Energy: 2.1279183257880345
Energy: 1.8192108486515035
Energy: 2.031716201045549
Energy: 2.1276657353204564
Energy: 1.8100044975571896
Energy: 2.125783352918302
Energy: 2.1071910287043267
Energy: 1.9155388682006012
Energy: 2.127689964739106
Energy: 2.127893226479624
Energy: 1.9012172107271537
Energy: 2.034745256978618
Energy: 2.1216126712124175
Energy: 2.442364273126009
Energy: 2.1283539991692875
Energy: 2.1446984635097515
Energy: 1.8551522179493083
Energy: 2.1255868382093923
Energy: 2.1282968126843773
Energy: 1.8556552199930838
Energy: 2.1633261135076007
Energy: 2.3205359485804298
Energy: 2.320200696245748
Energy: 2.1633955979146737
Energy: 1.9250579869943316
Energy: 1.8331194045590418
Energy: 1.8302499612635008
Energy: 2.1225364864401177
Energy: 2.3203823625729445
Energy: 1.8214575473630308
Energy: 1.818796651925661
Energy: 1.8090636430740978
Energy: 1.8100555021429692
Energy: 2.032323010842409
Energy: 1.8554827924483415
Energy: 1.8107313890752859
Energy: 1.8097174585178082
Energy: 1.8141408396415553
Energy: 1.8313849921348717
Energy: 2.126226092797049
Energy: 2.124755569007332
Energy: 1.8318192675389977
Energy: 1.819437218796661
Energy: 1.9002843666400764
Energy: 2.123290333442514
Energy: 2.1626589974180463
Energy: 2.4299033722208763
Energy: 2.162652330612975
Energy: 1.8555685627850085
Energy: 1.8067354611485482
Energy: 2.131270940565011
Energy: 2.030865440237221
Energy: 1.8555439059673244
Energy: 2.1283759320139906
Energy: 1.8060071732919467
Energy: 1.9012267741540507
Energy: 2.031497145787154
Energy: 2.131978937931684
Energy: 2.133417638654794
Energy: 2.0305487625146577
Energy: 2.120702652405843
Energy: 1.8221059530189385
Energy: 2.0327667306768067
Energy: 2.1298124630053565
Energy: 2.12769968403443
Energy: 2.1261800530243202
Energy: 1.9236237018580649
Energy: 3.061909453062142
Energy: 2.122937270988883
Energy: 2.1631938426089325
Energy: 1.9004166717227347
Energy: 2.162628956196309
Energy: 2.319891141820121

minimum gb energy = 1.8060071732919467 eV
minimum distance =  2.45159654433387 Angstroms
sigma value = 17


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

Energy: 3.5345194206210437
Energy: 2.3521778494630947
Energy: 2.22461076674026
Energy: 2.222558685146162
Energy: 2.448376083709319
Energy: 2.518306491152273
Energy: 2.4480066013799386
Energy: 1.902360785356392
Energy: 1.9011556515972956
Energy: 1.9057863037523186
Energy: 1.9001659572452814
Energy: 2.121383064513937
Energy: 2.197709415613595
Energy: 1.8981292096835989
Energy: 1.8987745393509199
Energy: 1.900687032325436
Energy: 1.8973596894179747
Energy: 2.526403989907443
Energy: 2.6723782262294034
Energy: 2.4765663718941484
Energy: 1.903081019285555
Energy: 1.9118690544521721
Energy: 1.9083103272624458
Energy: 2.4507097233329413
Energy: 1.9190990179540384
Energy: 2.4500332822885125
Energy: 2.4733765062977016
Energy: 1.9176691585517662
Energy: 2.47266003043262
Energy: 2.477002566449556
Energy: 1.9056312831216153
Energy: 1.907095615505701
Energy: 2.423278024602491
Energy: 2.4237464336952423
Energy: 2.473547615340302
Energy: 1.9011903726668542
Energy: 1.9219034808164746
Energy: 1.8998357165395745
Energy: 2.3742615965698204
Energy: 2.316145221460482
Energy: 1.8992811662444244
Energy: 1.9022289933437544
Energy: 1.9012076040363546
Energy: 1.8988745990498521
Energy: 1.9017504925202966
Energy: 1.912141368344049
Energy: 1.8998831596530972
Energy: 1.9016855047993562
Energy: 1.9242035526154495
Energy: 1.9214366512496328
Energy: 2.4045929560422663
Energy: 2.4527939955715863
Energy: 2.147385124382999
Energy: 1.9196085403828496
Energy: 2.205399910092899
Energy: 2.14541446262736
Energy: 2.112966216615891
Energy: 2.119399394880923
Energy: 2.106921415690717
Energy: 2.128565797742961
Energy: 2.1894857203721663
Energy: 2.1040216394649836
Energy: 2.2806071245643738
Energy: 2.2137298013222346
Energy: 2.1087185435037945
Energy: 2.110237075712039
Energy: 2.2197737078661697
Energy: 2.104372551710491
Energy: 2.3570223241404835
Energy: 2.3625793806151507
Energy: 2.345425860262989
Energy: 2.111175944189993
Energy: 2.0278879819893145
Energy: 2.3438868896466025
Energy: 2.347633067775599
Energy: 2.3607225100984617
Energy: 2.3505815497827522
Energy: 2.260198319015864
Energy: 2.9342531561465797
Energy: 2.409140026745304
Energy: 1.845604971387825
Energy: 1.8478346709190157
Energy: 2.4503756843364295
Energy: 2.508558294583281
Energy: 1.9875414554971826
Energy: 1.8555502645600548
Energy: 1.848440064999514
Energy: 1.8424883954710451
Energy: 1.8486142551396736
Energy: 2.3438387686920543
Energy: 2.213100679030531
Energy: 1.8438282253811553
Energy: 1.842991010428252
Energy: 1.848370108354643
Energy: 1.8436626613153249
Energy: 2.2336173533261734
Energy: 2.6848329584940878
Energy: 2.370612247067862
Energy: 1.8527121272460674
Energy: 1.8403150773024661
Energy: 1.8487671564520416
Energy: 2.448301429322388
Energy: 2.6853238297779485
Energy: 2.3675814486992945
Energy: 2.409372128609283
Energy: 2.2229911801699145
Energy: 2.41091387575164
Energy: 2.448336471522814
Energy: 2.214504066882852
Energy: 2.2303095478016495
Energy: 2.3458885708052524
Energy: 2.259598492854597
Energy: 2.3451575086626186
Energy: 2.121098078796111
Energy: 2.2248344794848407
Energy: 2.1095805871622777
Energy: 2.3569196968991664
Energy: 2.4783424124897824
Energy: 2.106240127247987
Energy: 2.122647040454093
Energy: 2.1860943979580347
Energy: 2.1046618219567343
Energy: 2.1135001153252144
Energy: 2.232709448395972
Energy: 2.1108112337362934
Energy: 2.1095293197955165
Energy: 2.243275229352933
Energy: 2.1480881485609404
Energy: 2.282230113923161
Energy: 2.4196045493127474
Energy: 2.1303629384014067
Energy: 2.1495853556623135
Energy: 1.912727968548767
Energy: 1.9191433936609728
Energy: 2.1327842455575072
Energy: 2.338199823386686
Energy: 1.91136747433125
Energy: 1.9197428757866315
Energy: 1.8972242128200223
Energy: 1.896554112542248
Energy: 1.8965486453385418
Energy: 2.2148269946499095
Energy: 1.8967054089145432
Energy: 1.8974147206466911
Energy: 1.91303581218298
Energy: 1.902226218887761
Energy: 2.4486291424417597
Energy: 2.500054393569127
Energy: 1.911865189882781
Energy: 1.9002004184571664
Energy: 1.9213949542602438
Energy: 2.4760516226728093
Energy: 2.4695117409263254
Energy: 2.3637746019991277
Energy: 2.4737814420088946
Energy: 1.8918644421584763
Energy: 2.9362333712710704
Energy: 2.471751334700186
Energy: 1.9171644711576359
Energy: 1.9215387605905485
Energy: 2.4733249194108686
Energy: 2.4236281396633137
Energy: 2.924098808145312
Energy: 2.4048043331436637
Energy: 1.9004389964860369
Energy: 1.900020974360725
Energy: 1.9025353310090924
Energy: 2.4511568434655366
Energy: 1.9147601911483865
Energy: 1.900861122399612
Energy: 1.898807490622746
Energy: 1.8998041494001128
Energy: 1.8970691955957113
Energy: 2.530278364729207
Energy: 3.0904157747354595
Energy: 2.1228448438176972
Energy: 1.9221060505848482
Energy: 1.9180209023480863
Energy: 1.923064969097999
Energy: 2.3629447520414706
Energy: 2.6859627493372193
Energy: 2.13722218135837
Energy: 2.1475010157414127
Energy: 2.2426593274042688
Energy: 2.147633161965557
Energy: 2.3658540256153424
Energy: 1.9124620757869304
Energy: 2.1154771328303985
Energy: 2.1072047144626613
Energy: 2.1085484897336375
Energy: 2.106096494055736
Energy: 2.2822563465397785
Energy: 2.684791752306601
Energy: 2.3204796655927757
Energy: 2.1124627246877843
Energy: 2.1057493268542755
Energy: 2.10686112619641
Energy: 2.35311990790694
Energy: 2.680878284110079
Energy: 2.3516953359161197
Energy: 2.2260677759852836
Energy: 2.22569114187845
Energy: 2.385521755735926
Energy: 2.3493973419457843
Energy: 1.9189879911079073
Energy: 2.418947265922998
Energy: 2.4445313860529843
Energy: 2.4379724062054913
Energy: 2.395210528294977
Energy: 2.421599328487225
Energy: 1.841786827099035
Energy: 1.84408996466393
Energy: 2.3529737408686167
Energy: 2.456935192849869
Energy: 2.0559538983609578
Energy: 1.8499184507451587
Energy: 1.8440105875834183
Energy: 1.84269229266405
Energy: 1.8420434898074876
Energy: 2.22182973244086
Energy: 1.8434096516875442
Energy: 1.8429610792197397
Energy: 1.8438824292247453
Energy: 1.8516267106230098
Energy: 2.347401429983365
Energy: 2.5393526438135092
Energy: 1.8528180050599174
Energy: 1.8472235985908008
Energy: 1.8473471479663552
Energy: 2.368810427382824
Energy: 2.468669643319577
Energy: 2.4501976820614657
Energy: 2.4098016648884344
Energy: 1.8398482467207147
Energy: 2.416395767505693
Energy: 2.3463407290628653
Energy: 2.403012527472558
Energy: 2.22055133223273
Energy: 2.3428818530402116
Energy: 2.351257479097625
Energy: 2.2296541656684115
Energy: 2.3569782568117428
Energy: 2.1151234568929813
Energy: 2.1281528591778143
Energy: 2.1049171408461977
Energy: 2.3584056987591775
Energy: 2.1988395600711304
Energy: 2.1121585359898347
Energy: 2.1111650241411746
Energy: 2.1051749808382234
Energy: 2.106003968573065
Energy: 2.401459250762164
Energy: 2.255231089965831
Energy: 2.1338799031987334
Energy: 2.1342658990839696
Energy: 2.1328666383009387
Energy: 2.145745077996865
Energy: 2.285754307014369

minimum gb energy = 1.8398482467207147 eV
minimum distance =  2.41505766764917 Angstroms
sigma value = 57


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

Energy: 2.767740034426608
Energy: 2.570389529297516
Energy: 1.9372521390806623
Energy: 1.903192099166418
Energy: 1.9395377017796271
Energy: 2.5362687376086472
Energy: 1.971831486785493
Energy: 1.8905394543348697
Energy: 1.892294075401301
Energy: 1.8985677817825684
Energy: 1.888446927868811
Energy: 2.276577611508574
Energy: 1.8896532921571447
Energy: 1.8851767864561668
Energy: 1.8873851756044533
Energy: 1.8895429733359113
Energy: 1.8932637681799216
Energy: 2.198321548976495
Energy: 2.3635251537170063
Energy: 2.4524544417462844
Energy: 1.8924977155177758
Energy: 1.8984696840237791
Energy: 1.8920054712250116
Energy: 2.4830553146286913
Energy: 1.88855158512504
Energy: 2.4665880421337087
Energy: 2.4640725515841844
Energy: 2.2271647463367903
Energy: 2.4578459808457183
Energy: 2.4698448369336425
Energy: 1.8901900671462963
Energy: 1.890950178681951
Energy: 2.4164558910863017
Energy: 2.4051947534423097
Energy: 2.496970681375141
Energy: 1.8914857020837055
Energy: 1.8961512348818166
Energy: 1.8891951650824452
Energy: 2.1954105071949073
Energy: 2.2165688660708693
Energy: 1.899554106460708
Energy: 1.8906224843770645
Energy: 1.8879133854987196
Energy: 1.8886726236493898
Energy: 1.890442007429967
Energy: 1.897198073218259
Energy: 1.8851588772638879
Energy: 1.8889272945851512
Energy: 1.8905147265706486
Energy: 1.8859165512516305
Energy: 2.45725697402479
Energy: 2.4892167966633285
Energy: 2.2197173659570444
Energy: 1.8992524067962027
Energy: 2.381614920563426
Energy: 2.2262393723207454
Energy: 2.204085470428172
Energy: 2.3318436450345628
Energy: 2.205839157420049
Energy: 2.235172215593358
Energy: 1.9593067921833063
Energy: 2.2176765193605554
Energy: 2.121866904157391
Energy: 2.016688535687612
Energy: 2.1327045190259852
Energy: 2.207185202164627
Energy: 1.961436792803974
Energy: 2.1296907057412287
Energy: 2.226997694083259
Energy: 2.225338654651212
Energy: 2.2724001142600985
Energy: 2.2084967264089803
Energy: 1.973553101446782
Energy: 2.2211217094110367
Energy: 2.2095320501107394
Energy: 2.2213194880148874
Energy: 2.2066378770704325
Energy: 2.119844549322434
Energy: 2.7695328805750905
Energy: 2.2785647784260967
Energy: 2.0172275862634854
Energy: 2.0142724971788417
Energy: 2.316909614208297
Energy: 2.4026913939405534
Energy: 1.9727738145381335
Energy: 1.8924018284168904
Energy: 1.8886126967396755
Energy: 1.8905142281713663
Energy: 1.8898491879621493
Energy: 2.2242539513510984
Energy: 1.907086161480505
Energy: 1.893603981926625
Energy: 1.8887470833269016
Energy: 1.8881757849678211
Energy: 1.884185714138078
Energy: 2.1958781475680733
Energy: 2.3673742019290747
Energy: 2.46711431607963
Energy: 1.8905239090628272
Energy: 1.8980320739416843
Energy: 1.888189015967855
Energy: 2.4773249572714695
Energy: 2.570151546127721
Energy: 2.4673857397094623
Energy: 2.5073246402707405
Energy: 1.8913908441551333
Energy: 2.454487401753495
Energy: 2.486257881166599
Energy: 1.888365808539919
Energy: 1.892988985704484
Energy: 2.4255209779193247
Energy: 2.4091883484214143
Energy: 2.499877454755373
Energy: 1.8910192002250157
Energy: 1.8876409932621967
Energy: 1.888135704896635
Energy: 2.1964042980409797
Energy: 2.2719919472633365
Energy: 1.8942426203236788
Energy: 1.8893970524534724
Energy: 1.8889021875470204
Energy: 1.8880858581288815
Energy: 1.8862353656437576
Energy: 1.8982041888868106
Energy: 1.885941774526386
Energy: 1.890377387154464
Energy: 1.8923850856160112
Energy: 1.933180267596471
Energy: 2.471060404894047
Energy: 2.4845643322836826
Energy: 2.214931776074633
Energy: 1.8945311733536443
Energy: 1.9771855626581853
Energy: 2.221936545148549
Energy: 2.2118805452616743
Energy: 2.5120673755069283
Energy: 2.2209747572692353
Energy: 2.317232188910862
Energy: 1.9588836405869134
Energy: 2.21081884171974
Energy: 2.1203924705531705
Energy: 1.9830745730927897
Energy: 2.2717560723777788
Energy: 2.2180624705303087
Energy: 1.9684062505363202
Energy: 2.1189764874437094
Energy: 2.232627060555398
Energy: 2.2337506181327456
Energy: 2.3304311667259476
Energy: 2.2073764286287587
Energy: 1.9741652875957123
Energy: 2.2756858420643673
Energy: 2.2080128369934453
Energy: 2.2175793861279156
Energy: 2.207622281259995
Energy: 2.1189266412857797
Energy: 2.767015382198951
Energy: 2.216633775437934
Energy: 1.9622954937087773
Energy: 2.016146119148294
Energy: 2.2767194350832076
Energy: 2.436433870931436

minimum gb energy = 1.884185714138078 eV
minimum distance =  2.39752973222372 Angstroms
sigma value = 43


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

Energy: 3.294837181419714
Energy: 2.52716985797751
Energy: 2.239781306209526
Energy: 2.2406263983992125
Energy: 2.238970821438213
Energy: 2.5362585005289113
Energy: 2.098199594629819
Energy: 1.9177949693966871
Energy: 1.9062750945217755
Energy: 1.9062656576623442
Energy: 1.9078719745560322
Energy: 1.9070181851442427
Energy: 2.259413751565892
Energy: 1.9067853033605973
Energy: 1.9053488328312365
Energy: 1.9108546967340168
Energy: 1.9065182957341904
Energy: 2.4631712725364343
Energy: 2.3817632976132885
Energy: 2.456104405233078
Energy: 1.9077464374800817
Energy: 1.9299472916668028
Energy: 1.9082201184597596
Energy: 2.4617141507375337
Energy: 2.3824164684953635
Energy: 2.445845044634172
Energy: 2.4537025635670573
Energy: 1.8850748037632454
Energy: 2.4575884415735363
Energy: 2.4389424820109333
Energy: 1.843903420305662
Energy: 1.83430014602046
Energy: 2.5320738015241724
Energy: 2.348551050012604
Energy: 2.455317063469733
Energy: 1.8342668321518647
Energy: 1.8294822979912166
Energy: 1.8307669559841642
Energy: 1.8316117323156393
Energy: 2.404627409485995
Energy: 1.8317983150674537
Energy: 1.8317409818184456
Energy: 1.8325456088738303
Energy: 1.8321454943171323
Energy: 1.8315185947692103
Energy: 1.915011527085479
Energy: 1.8309684283661383
Energy: 1.830785636531029
Energy: 1.8452846347731382
Energy: 1.8334999612852605
Energy: 2.4566165815722267
Energy: 2.46568842561994
Energy: 2.4546968594785703
Energy: 1.8336116297939395
Energy: 2.4727592762961716
Energy: 2.477052755975422
Energy: 2.4708999956457514
Energy: 1.9112818365692494
Energy: 2.4780090641915824
Energy: 2.4391705068779914
Energy: 2.57340027284613
Energy: 2.453723075229905
Energy: 1.909192598955586
Energy: 1.9201094952833753
Energy: 1.9071772617723084
Energy: 2.347488201063126
Energy: 2.308839535085278
Energy: 1.9054776178816144
Energy: 1.9053044214736259
Energy: 1.9077906241165294
Energy: 1.9075692234953465
Energy: 2.455270019657156
Energy: 2.2641389109379584
Energy: 1.905917300324981
Energy: 1.9069224947222498
Energy: 1.9054858183087648
Energy: 1.9064373334911247
Energy: 1.9072473899399804
Energy: 2.9210624297010526
Energy: 2.1838688601828853
Energy: 2.238781824088266
Energy: 2.2702633279584
Energy: 1.9056345837309052
Energy: 2.4531933038268545
Energy: 1.945015624058681
Energy: 2.177273663459978
Energy: 2.175883092621523
Energy: 2.1917920956192725
Energy: 2.176765358684347
Energy: 2.1783330306930377
Energy: 2.3292802773473094
Energy: 2.1987132882804272
Energy: 2.1747581572992534
Energy: 2.18431687226965
Energy: 2.1777485275118216
Energy: 2.1831213800243208
Energy: 2.2845410260052974
Energy: 2.176223029359637
Energy: 2.1808463994067533
Energy: 2.259329841567752
Energy: 2.1985973657108877
Energy: 2.179325335388219
Energy: 2.2969762537657203
Energy: 2.1736796410886012
Energy: 2.1820694911137246
Energy: 2.2319652759237485
Energy: 2.1771453130387455
Energy: 2.178081780568061
Energy: 2.239780720243057
Energy: 2.238566331169299
Energy: 2.5272529615529726
Energy: 2.5373091536341326
Energy: 2.511945805365327
Energy: 2.2393597386139183
Energy: 1.9053957215985404
Energy: 1.907395206856699
Energy: 1.907824633040799
Energy: 2.55298800676335
Energy: 1.9060749964153105
Energy: 1.9091165617227306
Energy: 1.9108407695711678
Energy: 1.9086718624550154
Energy: 2.2337698399054364
Energy: 2.2604550600345252
Energy: 1.906783414594222
Energy: 1.9049372201375967
Energy: 1.9303225778432374
Energy: 1.9114059215454258
Energy: 2.457419438995143
Energy: 2.4356535237065895
Energy: 2.45584532932484
Energy: 1.9091879074785327
Energy: 1.8442676906468844
Energy: 2.454863036167396
Energy: 2.439064866293195
Energy: 2.301167784628769
Energy: 2.471127888613354
Energy: 2.370280505754703
Energy: 2.567494302545955
Energy: 2.4548380682479136
Energy: 1.8324094584190382
Energy: 1.844580036598037
Energy: 1.8318581018473967
Energy: 2.5324561395842182
Energy: 1.9251371771076682
Energy: 1.8317585601763113
Energy: 1.8318058360504414
Energy: 1.8295843905747626
Energy: 1.832490718923499
Energy: 2.198691165330958
Energy: 2.215865969328082
Energy: 1.831474735737447
Energy: 1.830063508519741
Energy: 1.8321116736172078
Energy: 1.8310154748002918
Energy: 2.1990339009407305
Energy: 2.350044691951907
Energy: 2.4551977942091407
Energy: 1.8339980318610118
Energy: 1.845736763157611
Energy: 1.833907296751812
Energy: 2.4553245486254776
Energy: 2.3046914346366707
Energy: 2.4701644264608835
Energy: 2.4698701013069493
Energy: 2.129499226445438
Energy: 2.474935048245672
Energy: 2.4566056787312656
Energy: 1.9306894859550814
Energy: 1.9090769595889452
Energy: 2.4556567948965125
Energy: 2.352222567444034
Energy: 2.454735601798516
Energy: 1.905752879751633
Energy: 1.9064085551071004
Energy: 1.9068733660725512
Energy: 2.2349769523311735
Energy: 2.308665760998535
Energy: 1.9075626397460959
Energy: 1.9047830141940907
Energy: 1.912817428999984
Energy: 1.9066215493006815
Energy: 1.9078140264486385
Energy: 2.5555710045937254
Energy: 1.909047458840868
Energy: 1.9062245535487055
Energy: 2.2687558987539296
Energy: 1.9063844237888032
Energy: 2.4526454152924066
Energy: 2.4577115832331535
Energy: 2.189035201560052
Energy: 2.2401079774611174
Energy: 2.2993675998022733
Energy: 2.178880644451349
Energy: 2.1783838077510564
Energy: 1.9372279558378236
Energy: 2.178837780247807
Energy: 2.1749862780215383
Energy: 2.2920615580809423
Energy: 2.174539056051159
Energy: 2.1769422774202187
Energy: 2.327672136639291
Energy: 2.197053070089473
Energy: 2.180109490930886
Energy: 2.2750575368300128
Energy: 2.1989152189517007
Energy: 2.175641775290794
Energy: 2.1777235655094005
Energy: 2.1785147737665604
Energy: 2.1792356323966637
Energy: 2.0981995961274986
Energy: 2.1777181167188213
Energy: 2.1762325417840365
Energy: 2.182796442054542
Energy: 2.174314409089214
Energy: 2.196116533915368

minimum gb energy = 1.8294822979912166 eV
minimum distance =  2.41951710550334 Angstroms
sigma value = 81


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

Energy: 1.7286180099686965
Energy: 1.7281734155233197
Energy: 2.6011615088061637
Energy: 1.7324089755563252
Energy: 2.6020223386633137
Energy: 1.7278336479025156
Energy: 1.728221296882249
Energy: 2.527442385762052
Energy: 1.7338846443244111
Energy: 1.7318305949843087
Energy: 1.7344315521489224
Energy: 2.019940655172824
Energy: 2.018216779425072
Energy: 2.0191148955096065
Energy: 1.7320577372590846
Energy: 1.732786298703675
Energy: 1.7323296242933939
Energy: 2.346135448299586
Energy: 2.019952650420115
Energy: 2.021394511964335
Energy: 1.731014225053629
Energy: 1.7311715032811976
Energy: 1.7317654520320074
Energy: 2.0201598289154674
Energy: 2.0200584246575515
Energy: 2.01907552920207
Energy: 1.7331078441675325
Energy: 1.732893631615083
Energy: 1.7348073071979324
Energy: 2.021409351164513
Energy: 1.7321730165190055
Energy: 1.7319250717061887
Energy: 1.7280144686765864
Energy: 1.7323734861374556
Energy: 2.0205915774136525
Energy: 1.7326826679025467
Energy: 1.7315619115492324
Energy: 1.7326817111926676
Energy: 2.0194872595908135
Energy: 1.7321617740729671
Energy: 1.7317765226398711
Energy: 1.73436313736197
Energy: 1.7316240151926485
Energy: 1.7317717210314256
Energy: 2.3530495094054023
Energy: 2.020357003156721
Energy: 1.733667624002521
Energy: 1.7337358046609388
Energy: 1.7318767264476922
Energy: 2.5971339046155157
Energy: 2.0212456444706506
Energy: 2.019801251540347
Energy: 2.0192910842159852
Energy: 1.7311252328150586
Energy: 1.7284436703648263
Energy: 1.7333250749060507
Energy: 2.0208165175748753
Energy: 2.0212970926188625
Energy: 2.0211847147100497
Energy: 1.7336435081779729

minimum gb energy = 1.7278336479025156 eV
minimum distance =  2.43213903663329 Angstroms
sigma value = 3


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

Energy: 3.162621533366862
Energy: 2.0285887516146555
Energy: 2.246226086156878
Energy: 2.2562502289696695
Energy: 2.2479829583481203
Energy: 2.57658086913907
Energy: 1.8132134233895505
Energy: 2.156579218428868
Energy: 2.155266196193279
Energy: 2.140500371358194
Energy: 1.8464195047409286
Energy: 2.1577569907053946
Energy: 2.1336100547912378
Energy: 2.0682082248032923
Energy: 2.154869981719132
Energy: 2.1377104575346397
Energy: 2.156579511305479
Energy: 2.1351007217390885
Energy: 2.124228385955471
Energy: 2.1546387334231754
Energy: 1.8481514518178008
Energy: 2.136636837686071
Energy: 2.068966577976718
Energy: 2.146503117671663
Energy: 2.133115387328396
Energy: 2.155875014507218
Energy: 2.1539704889785023
Energy: 1.8495186859845272
Energy: 1.854049490726376
Energy: 2.134554242387412
Energy: 2.2504556511078486
Energy: 2.249988571224817
Energy: 1.8508216762185887
Energy: 1.853409149559514
Energy: 2.2512743400745707
Energy: 2.242134500849484
Energy: 2.372678969230992
Energy: 2.155603844215321
Energy: 2.4302356278644703
Energy: 1.8487772963118259
Energy: 2.443562217332852
Energy: 2.486133482665348
Energy: 2.3736319600705915
Energy: 2.4355436673950788
Energy: 1.8422898550800502
Energy: 1.8443269362476582
Energy: 1.8435471272543251
Energy: 2.4351569426269335
Energy: 2.6497133903737287
Energy: 1.843335406318481
Energy: 1.843116415492079
Energy: 1.8441825855085372
Energy: 1.8452867500787822
Energy: 2.432017466487479
Energy: 2.390508062496363
Energy: 1.8429818310174355
Energy: 1.8435323486708628
Energy: 1.8415032863412868
Energy: 1.8450520647045248
Energy: 2.283923174623025
Energy: 2.6575103611781494
Energy: 2.567583641012264
Energy: 1.8572837272489555
Energy: 1.8527638005370655
Energy: 1.8435651137196634
Energy: 2.437360043430549
Energy: 1.8532045871014353
Energy: 2.535553389351435
Energy: 2.157272036249872
Energy: 2.9311824341532575
Energy: 1.8417052449618267
Energy: 2.346427746543342
Energy: 1.8439766960127086
Energy: 1.843107643981773
Energy: 2.235651978503552
Energy: 2.894428919161774
Energy: 1.841998981165168
Energy: 1.8421880176481098
Energy: 1.8403950974458294
Energy: 1.8415757384391847
Energy: 1.8431307956694831
Energy: 2.6475027076870283
Energy: 1.8444841378897925
Energy: 1.8415177209487295
Energy: 1.8443967912077388
Energy: 1.845637882223907
Energy: 2.1692508188384387
Energy: 2.6434681135708096
Energy: 1.8427855871596335
Energy: 1.844604408804251
Energy: 1.8470471307123084
Energy: 2.1602918051385576
Energy: 2.457046940470087
Energy: 2.6477761862808795
Energy: 2.43617619936613
Energy: 1.8420794617692229
Energy: 2.9471478886831353
Energy: 2.1876615519319245
Energy: 2.278729107843701
Energy: 2.303595569265848
Energy: 2.552888759794964
Energy: 2.5327680118568074
Energy: 2.9415645024113757
Energy: 1.8480131683762533
Energy: 2.1368105872842937
Energy: 2.136747130850757
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Energy: 2.1350084925685615
Energy: 2.0686332733649397
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Energy: 2.1281994689047874
Energy: 1.8437726982221647
Energy: 2.1393798594915023
Energy: 2.1342886626838222
Energy: 2.15619890847813
Energy: 1.848166212686606
Energy: 2.1360678714789945
Energy: 2.075091566400736
Energy: 2.155204314568432
Energy: 2.1331669075533277
Energy: 2.1561369641125125
Energy: 2.0697342756316286
Energy: 2.1364636826633876
Energy: 1.8429256980070046
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Energy: 2.2869584680657233
Energy: 2.1437760973420272
Energy: 2.0088931803289487
Energy: 2.343147069359795
Energy: 2.149680159228778
Energy: 2.276357526477844
Energy: 2.649900820488887
Energy: 2.5013361775791667
Energy: 2.1698794968129476
Energy: 1.8494893849452987
Energy: 2.1698227411941837
Energy: 2.557168328371562
Energy: 2.3983505354716983
Energy: 2.4606821369219882
Energy: 1.842616397758643
Energy: 1.845701615687741
Energy: 1.8442238753739428
Energy: 2.3672269652555666
Energy: 2.6499419877071175
Energy: 1.842997010616185
Energy: 1.8448873855057093
Energy: 1.8437207246390295
Energy: 1.8440926063942815
Energy: 2.4333282045145235
Energy: 2.389569210966344
Energy: 1.8433942076747736
Energy: 1.8418854525400883
Energy: 1.8416471069105573
Energy: 1.8421467093530037
Energy: 1.8434853196865084
Energy: 2.6587669888789325
Energy: 1.8419898123273135
Energy: 1.8432945067189308
Energy: 1.8431564890493963
Energy: 1.8436796924767298
Energy: 2.452788712899696
Energy: 2.390220339779163
Energy: 1.8535993832322453
Energy: 2.166941971053165
Energy: 2.896629406793122
Energy: 2.1682166586214118
Energy: 2.1690561604534455
Energy: 1.8543300414511459
Energy: 1.8444902019993878
Energy: 1.7962349947995644
Energy: 2.5265709369537634
Energy: 1.8543608636910258
Energy: 1.8434697294532636
Energy: 1.8524913925933917
Energy: 1.8438460642288326
Energy: 1.8420232997893788
Energy: 2.147288858952791
Energy: 1.8565296295822258
Energy: 1.8421012387942024
Energy: 1.8519521798443297
Energy: 1.8447319783256697
Energy: 2.0123072249598115
Energy: 2.64568914904753
Energy: 1.8444381492665367
Energy: 1.8444825980945059
Energy: 1.8464723657139774
Energy: 1.8431648924630022
Energy: 2.4489331299671555
Energy: 2.50838323064054
Energy: 2.1732733477165986
Energy: 1.8436211234517255
Energy: 1.807261766676091
Energy: 2.4339433594649402
Energy: 2.4888783382491244
Energy: 2.6446886955476074
Energy: 2.1709192184699173
Energy: 2.2828543885344565

minimum gb energy = 1.7948512359384956 eV
minimum distance =  2.40044997645611 Angstroms
sigma value = 67


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

Energy: 2.5293389151630485
Energy: 1.8462277108884666
Energy: 2.182787785348485
Energy: 2.181527181649211
Energy: 2.1843893937000405
Energy: 1.847119419824086
Energy: 1.817391957450171
Energy: 2.1865086407498966
Energy: 2.18485929078492
Energy: 2.1450549016949685
Energy: 2.187498177882845
Energy: 1.9637460874626105
Energy: 2.1433591323978085
Energy: 1.94941380744918
Energy: 2.1918399985834527
Energy: 2.147404006785978
Energy: 2.158024373661726
Energy: 2.3183707097497908
Energy: 2.150569560414943
Energy: 2.1825327547465405
Energy: 1.9436454504466103
Energy: 2.1440871448897756
Energy: 1.9548643864549806
Energy: 2.157233552015085
Energy: 2.1479513631939526
Energy: 2.146532973425391
Energy: 2.485864508560312
Energy: 1.8175757406132964
Energy: 2.186545967406018
Energy: 2.147510150857145
Energy: 2.1647114486051593
Energy: 2.148066878564228
Energy: 2.2688706719651366
Energy: 2.9531652102715116
Energy: 2.1979107208860587
Energy: 2.1643393489925318
Energy: 2.459236392508809
Energy: 2.1826229751437713
Energy: 1.9054365006925023
Energy: 1.8176926300073375
Energy: 2.292145596267921
Energy: 2.1405047651274387
Energy: 2.4649487073836904
Energy: 2.1830601992331298
Energy: 1.817690191778001
Energy: 1.8160536139939922
Energy: 1.8181178313652102
Energy: 2.535973842928442
Energy: 2.5217003442241483
Energy: 1.8184375019749337
Energy: 1.8126636283528403
Energy: 1.815030152915299
Energy: 1.8133391933710516
Energy: 2.7852366625953913
Energy: 2.2431923827847644
Energy: 2.16096719381662
Energy: 1.8164641394142427
Energy: 1.8293156327531406
Energy: 1.815147962604131
Energy: 2.266347912096262
Energy: 2.885367459038017
Energy: 2.2693071028328555
Energy: 1.820421777991853
Energy: 1.8170160835788354
Energy: 2.255088502564962
Energy: 2.266005267260545
Energy: 2.163294000127009
Energy: 2.1941831844599666
Energy: 2.3867532723496274
Energy: 1.8261691251985026
Energy: 2.7284242954867546
Energy: 2.195780779225132
Energy: 2.17045631443682
Energy: 2.1689860668706813
Energy: 2.38739493225056
Energy: 1.8217572047203539
Energy: 2.1867512561512683
Energy: 2.1506143527949213
Energy: 2.149089250687957
Energy: 2.1819736995587853
Energy: 1.9583080164898683
Energy: 2.1434106381797884
Energy: 2.1875965672303592
Energy: 2.187563874494128
Energy: 2.150799443020205
Energy: 2.1565320109273696
Energy: 2.1906713904479944
Energy: 2.1435534533876965
Energy: 1.9455492925381137
Energy: 2.1870652738655907
Energy: 2.143365058557024
Energy: 1.9709330385757728
Energy: 2.1512760750943376
Energy: 2.1426913152750173
Energy: 2.1509213181624576
Energy: 2.3146225975328916
Energy: 2.8601230655816385
Energy: 2.1705175105157757
Energy: 2.1466226490279467
Energy: 2.1697399041811747
Energy: 2.143021534534364
Energy: 2.731716576034192
Energy: 2.8514760590944452
Energy: 2.2730053150620826
Energy: 2.146466654969759
Energy: 2.246055007413921
Energy: 2.1458292389487434
Energy: 2.288808762322892
Energy: 1.817069809397404
Energy: 1.8216342131268253
Energy: 2.4978523074093957
Energy: 2.493064113085543
Energy: 2.256992140588306
Energy: 1.821022968161446
Energy: 1.8225232782770182
Energy: 1.814824304128395
Energy: 1.812946131569821
Energy: 2.2460339728028
Energy: 1.818241760120779
Energy: 1.8146294037474995
Energy: 1.8151301970040883
Energy: 1.8158592653735062
Energy: 2.1665964391873556
Energy: 2.5270426096537406
Energy: 1.8181032003140283
Energy: 1.8141979269397213
Energy: 1.8155690590459597
Energy: 1.81956367939215
Energy: 2.257496842875426
Energy: 2.1443875047436487
Energy: 2.1628455026988536
Energy: 1.818655225324867
Energy: 1.8153961010032058
Energy: 2.2697522936328545
Energy: 2.182722402366913
Energy: 2.2617034536126583
Energy: 2.729963027724928
Energy: 2.298447937218434

minimum gb energy = 1.8126636283528403 eV
minimum distance =  2.44810594983336 Angstroms
sigma value = 33


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

Energy: 3.318234986269382
Energy: 2.220339427758504
Energy: 2.3785322706307825
Energy: 2.364628230291404
Energy: 2.3734212902808935
Energy: 2.883272794446409
Energy: 1.8076831259626807
Energy: 2.4036473627722543
Energy: 2.3835908031247017
Energy: 2.333802849195303
Energy: 2.2029513260139044
Energy: 2.0453890862231554
Energy: 1.9616946026942332
Energy: 2.0745688330057175
Energy: 2.203591468419117
Energy: 2.1219813798727647
Energy: 2.2036847859744957
Energy: 1.964403356968659
Energy: 1.9713960950412235
Energy: 2.008565312198497
Energy: 2.0788982518668426
Energy: 2.318000092038961
Energy: 2.0836923646763634
Energy: 1.9756636095217286
Energy: 1.963613272540391
Energy: 1.9646363469647716
Energy: 1.9650465685892464
Energy: 1.8116864766348626
Energy: 2.005116148622162
Energy: 1.9766146691857263
Energy: 1.9610745367634264
Energy: 1.811208478695967
Energy: 2.473509518207005
Energy: 2.720433770438069
Energy: 1.824871383794756
Energy: 1.811130581841129
Energy: 1.807340457354589
Energy: 2.373026945023271
Energy: 2.333448616818276
Energy: 1.8117669220549641
Energy: 2.5177118641111402
Energy: 2.128768086236337
Energy: 1.8074274381479067
Energy: 2.055138258825815
Energy: 1.9625256020148416
Energy: 1.9607810738387579
Energy: 1.969309544700881
Energy: 2.852815414171953
Energy: 2.2028035223270654
Energy: 2.004789184486411
Energy: 2.001134989748765
Energy: 1.9623878184767642
Energy: 2.0022922583152667
Energy: 2.326776652006705
Energy: 2.327232934031115
Energy: 2.180827958486815
Energy: 2.0043977387388177
Energy: 1.9674069819465245
Energy: 2.011713714732961
Energy: 2.3775469198760515
Energy: 2.312799753173717
Energy: 2.4100516623745505
Energy: 2.0707601329334957
Energy: 1.9616564045952447
Energy: 2.0796089753329987
Energy: 2.310955612925164
Energy: 2.318899920569773
Energy: 2.321893291867955
Energy: 2.4101551300890423
Energy: 1.8100420303016653
Energy: 2.4532090667125446
Energy: 2.3189866202827387
Energy: 2.4316086340499976
Energy: 2.4135137753086484
Energy: 2.5971071793455396
Energy: 2.044001609674612
Energy: 2.4539112901213977
Energy: 2.4324257555289135
Energy: 2.5137291158037502
Energy: 2.3122500109454656
Energy: 1.8142825373798697
Energy: 1.8145389255578446
Energy: 1.814197867689107
Energy: 2.5053160502382874
Energy: 2.5431147534353755
Energy: 2.1746456896632096
Energy: 1.8155412197194825
Energy: 1.8110622339507028
Energy: 1.805650359097711
Energy: 2.3422352839226335
Energy: 2.4497117952507965
Energy: 1.8114598233565065
Energy: 1.809775094388065
Energy: 1.8078114209601743
Energy: 1.8081364231735062
Energy: 2.781738353981675
Energy: 2.3166343199400696
Energy: 2.018005123130294
Energy: 1.8135704696724568
Energy: 1.8124962292514266
Energy: 1.815693790289485
Energy: 2.778879029674126
Energy: 2.4314847408217486
Energy: 2.5986842233185623
Energy: 2.503347136197965
Energy: 1.8186454835181265
Energy: 2.503862800525214
Energy: 2.3834513027925843
Energy: 2.3103818860421805
Energy: 2.2082867106377204
Energy: 2.2119203618234295
Energy: 2.850011740411001
Energy: 2.2106272771493214
Energy: 2.174662016177518
Energy: 2.3311043926813553
Energy: 2.3842992628450594
Energy: 2.204283437688411
Energy: 1.8228876529175757
Energy: 2.2046455812490127
Energy: 2.3834119864767063
Energy: 2.1154924203305336
Energy: 2.203089100910705
Energy: 2.0047365079007773
Energy: 1.9607044379706342
Energy: 2.069758119330906
Energy: 2.3907608019685873
Energy: 2.3201902385765516
Energy: 2.0737521240833274
Energy: 2.0029004652676274
Energy: 1.9663487346258284
Energy: 2.0025268456721554
Energy: 2.433133185732399
Energy: 1.8119413067696961
Energy: 1.9633459478446924
Energy: 1.961912763302376
Energy: 1.9625320850677102
Energy: 2.0038100364813825
Energy: 2.0113854304905594
Energy: 2.988851768153822
Energy: 2.0534982734714418
Energy: 2.059452515358319
Energy: 1.960726830235134
Energy: 2.0601985094266864
Energy: 2.753888890712158
Energy: 1.8119989119494233
Energy: 2.5143214012746484
Energy: 1.9589288138601901
Energy: 1.8073727245598163
Energy: 2.3738351535060565
Energy: 1.810917935019789
Energy: 1.9608835916579395
Energy: 1.9635582575767871
Energy: 2.1725998887102307
Energy: 2.5031084620585338
Energy: 1.9645854108325642
Energy: 1.9608915694407694
Energy: 1.9605767934238632
Energy: 2.0032576093549843
Energy: 2.086702343862439
Energy: 2.2018404145466905
Energy: 1.9639422109959586
Energy: 2.0033980632355597
Energy: 1.9603352788789394
Energy: 2.0034731102673047
Energy: 2.202008567516037
Energy: 2.329943980082909
Energy: 2.0703906847519207
Energy: 2.0079535756062894
Energy: 1.9614109048850614
Energy: 2.0711078926035107
Energy: 2.310549301281041
Energy: 2.3114412276808745
Energy: 2.2030660970171545
Energy: 1.9607416722169102
Energy: 1.820284398155909
Energy: 2.453922851469822
Energy: 2.3205448114229656
Energy: 2.3185679769948857
Energy: 2.319323573314711
Energy: 2.5342985340255666
Energy: 1.8180584931880779
Energy: 2.4878853247935067
Energy: 2.433194841807284
Energy: 2.39289238013462
Energy: 2.4330859140156185
Energy: 2.560296337892111
Energy: 1.8155666898563785
Energy: 1.8145831509801806
Energy: 2.596449149034282
Energy: 2.503701211211593
Energy: 2.3182612902477535
Energy: 1.812692773526226
Energy: 1.8123131607820506
Energy: 1.8146965747164636
Energy: 2.2173204939108433
Energy: 2.545022354853561
Energy: 1.8191646386584939
Energy: 1.8124898356788643
Energy: 1.8032301549497896
Energy: 1.8032480611467463
Energy: 1.8103996712551098
Energy: 2.6385663855114694
Energy: 1.813554760853275
Energy: 1.8035477869872814
Energy: 1.8195700914500876
Energy: 1.8145372712638839
Energy: 2.0195944323625903
Energy: 2.4315941455181416
Energy: 2.020218054748553
Energy: 1.8126104294836114
Energy: 1.8149512704706596
Energy: 2.5091248073314394
Energy: 2.386316759237944
Energy: 2.4309534602893645
Energy: 2.332993492147152
Energy: 1.8178469619122912
Energy: 1.806691808963852
Energy: 2.374709028342934
Energy: 2.207724273500574
Energy: 2.3933366953814383
Energy: 2.177303321376185
Energy: 2.848881566402558

minimum gb energy = 1.8032301549497896 eV
minimum distance =  2.46050341478368 Angstroms
sigma value = 41


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

Energy: 2.7006372972604713
Energy: 1.63483223806952
Energy: 1.99124638391542
Energy: 2.001646240106042
Energy: 1.9917754069741858
Energy: 2.5541063004098654
Energy: 2.349515228152833
Energy: 1.7235253133269945
Energy: 1.7262790889336608
Energy: 2.003809665504749
Energy: 1.7255728530743637
Energy: 2.106032184937354
Energy: 2.0067957046048654
Energy: 1.7238933591879524
Energy: 1.7218650704360043
Energy: 1.6300214555217292
Energy: 1.7240542257815925
Energy: 2.1085289866759975
Energy: 2.1775985874514716
Energy: 1.7212329821140595
Energy: 1.7199071646076287
Energy: 2.105393535764425
Energy: 1.722490209718615
Energy: 2.02822972101352
Energy: 2.0057942783025386
Energy: 2.0036998913099904
Energy: 1.7208211044626704
Energy: 1.9921722551215353
Energy: 2.004340089612019
Energy: 2.0014803323734704
Energy: 1.997540565021354
Energy: 1.9930444954378852
Energy: 1.9926194135363775
Energy: 2.163534816497567
Energy: 2.6273353404721482
Energy: 2.002690486114826
Energy: 2.3465641105721535
Energy: 2.0274512288361772
Energy: 1.7216432793045229
Energy: 1.9967331489373406
Energy: 1.7195265753596485
Energy: 2.4539850760395354
Energy: 2.3469979867842627
Energy: 1.7234053843235637
Energy: 2.0999106420584526
Energy: 2.004557493422626
Energy: 1.7248513681484008
Energy: 2.3457167864461623
Energy: 1.9936006538460402
Energy: 1.7242736454695105
Energy: 1.7185387093531914
Energy: 1.6302553408908136
Energy: 1.7231343343083023
Energy: 1.7209343003702675
Energy: 2.0303160584195
Energy: 1.7251837437172342
Energy: 1.718984858830589
Energy: 2.034840029252929
Energy: 1.7216361380806526
Energy: 2.1040427683552227
Energy: 2.0710458933767915
Energy: 2.027733433977564
Energy: 1.7211461596505135
Energy: 2.1099254367859976
Energy: 1.7227844744985608
Energy: 2.026582091756458
Energy: 2.0045401371897404
Energy: 1.9945843571589301
Energy: 2.0056754062529647
Energy: 2.0211556510204844
Energy: 1.9932065052802892
Energy: 1.9943655278698302
Energy: 1.9948738613650585
Energy: 1.9938254626575351
Energy: 2.005547241205544
Energy: 2.000763563489582
Energy: 2.0108161097931023
Energy: 1.9932476425814154
Energy: 2.346897747923902
Energy: 2.0278541958405434
Energy: 1.9922791844762184
Energy: 2.0014224524814623
Energy: 1.72232292719778
Energy: 2.693605263406988

minimum gb energy = 1.6300214555217292 eV
minimum distance =  2.41157427703778 Angstroms
sigma value = 11


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

Energy: 3.060994608337113
Energy: 2.129908131994009
Energy: 2.2636149163982733
Energy: 2.2656671766938805
Energy: 2.264915433974775
Energy: 2.677439938344493
Energy: 2.010821829355472
Energy: 2.6436045982788436
Energy: 2.3150662448973796
Energy: 2.340216930756605
Energy: 2.205603979098726
Energy: 1.9100631687086087
Energy: 1.9083102071623483
Energy: 1.9291681724490124
Energy: 2.226383684657413
Energy: 2.1874157965244043
Energy: 2.227910163779263
Energy: 1.9102641109681522
Energy: 1.9095834051225973
Energy: 1.9705707652111313
Energy: 1.9097349352950876
Energy: 2.1688866130226065
Energy: 1.9085384350452728
Energy: 1.9092911254041192
Energy: 1.9136379550491691
Energy: 1.9707098048828837
Energy: 1.9706048346459275
Energy: 2.339303606563169
Energy: 1.971055468671799
Energy: 1.9090993143127206
Energy: 1.918195937761306
Energy: 1.9087840262887157
Energy: 2.339602881499238
Energy: 2.341025711036421
Energy: 2.2569456297214234
Energy: 1.9137378271045946
Energy: 2.317622834252205
Energy: 2.135338598254948
Energy: 2.32465555813994
Energy: 2.3064910532495615
Energy: 2.383230799522889
Energy: 2.1519659152196002
Energy: 2.3274186095335097
Energy: 2.0278351107935806
Energy: 2.168096189084742
Energy: 2.262735086741887
Energy: 2.223782509664437
Energy: 2.492422737770255
Energy: 2.021667862225463
Energy: 1.9089804169634847
Energy: 2.4192130006609727
Energy: 2.4305333834069756
Energy: 2.027329413394349
Energy: 2.0233618456754754
Energy: 2.0216115459194857
Energy: 2.052841354247041
Energy: 2.198980024515712
Energy: 2.4299551335783587
Energy: 1.908297219219065
Energy: 2.02186966446645
Energy: 2.046991828142043
Energy: 2.1569042422798606
Energy: 2.0308364119485316
Energy: 2.049626556055613
Energy: 2.2336924463250347
Energy: 2.1371180585712914
Energy: 2.047937075306649
Energy: 2.0293256141895335
Energy: 2.1385646329013035
Energy: 2.0472232811276942
Energy: 2.2345110774560673
Energy: 2.136289892469978
Energy: 2.1634243516184144
Energy: 2.2335336721704846
Energy: 2.0525431717383125
Energy: 2.049798566318432
Energy: 2.156977156544142
Energy: 2.0283555161763114
Energy: 2.334762586974194
Energy: 2.0230185891523162
Energy: 2.0216337934060014
Energy: 2.024519505334951
Energy: 2.0218752989492157
Energy: 2.0228725405429646
Energy: 2.171228598946349
Energy: 2.2006302238768836
Energy: 2.3775416954863275
Energy: 2.023274590215663
Energy: 2.312338487377872
Energy: 2.261964246047991
Energy: 2.2668465414413563
Energy: 2.2640652986027123
Energy: 2.125940836456513
Energy: 2.423636854590938
Energy: 2.3554254195936335
Energy: 2.264821316422385
Energy: 2.3416224503501284
Energy: 2.3542832435653214
Energy: 2.6429372658527504
Energy: 1.901076311461618
Energy: 2.199062492326348
Energy: 2.315251119915526
Energy: 2.249136606623694
Energy: 2.2276365075567774
Energy: 1.9095586162510787
Energy: 1.9089685586300178
Energy: 1.969890870667991
Energy: 2.249434365387869
Energy: 2.341514551847776
Energy: 1.908768187358659
Energy: 1.9748011347582817
Energy: 1.9100992674163166
Energy: 1.973097513662296
Energy: 2.263529314013012
Energy: 2.339824615255223
Energy: 1.9709253784952048
Energy: 1.9694262281385773
Energy: 1.9202442101293413
Energy: 1.9713522741347116
Energy: 2.226849644952631
Energy: 2.3401678637630736
Energy: 2.0474071885993497
Energy: 1.9091039124251608
Energy: 1.9180527649439296
Energy: 2.2256497291418684
Energy: 2.3397743521931997
Energy: 2.3331554440094098
Energy: 2.275977994198726
Energy: 2.593099705820523
Energy: 2.3181012643168635
Energy: 2.030755901140531
Energy: 2.3401966966018457
Energy: 2.2631558647081693
Energy: 2.167978623982942
Energy: 2.4595484633417977
Energy: 2.2758935865142362
Energy: 2.2342185462222397
Energy: 2.2866811300254803
Energy: 2.4311544866761485
Energy: 2.4706404421174586
Energy: 1.9088165047850953
Energy: 2.022846243055599
Energy: 1.9127624737927678
Energy: 2.324512855262889
Energy: 2.430892987179441
Energy: 1.9089182032734928
Energy: 2.021045043457578
Energy: 2.0202452594377815
Energy: 2.052848355106475
Energy: 2.32406142042338
Energy: 2.0215565019815527
Energy: 2.2340611062005866
Energy: 2.1367912924785726
Energy: 2.0461423853721175
Energy: 2.2356123342629783
Energy: 2.027373654523366
Energy: 2.0496029158374474
Energy: 2.1576042656763157
Energy: 2.15780456242896
Energy: 2.0501328809184014
Energy: 2.031181227737664
Energy: 2.135176417315621
Energy: 2.049779107131594
Energy: 2.052574676813711
Energy: 2.0324305427921927
Energy: 2.021751180063048
Energy: 2.2340089067967512
Energy: 2.0511138635417483
Energy: 2.0213189477647573
Energy: 2.0212504879521553
Energy: 2.0220452643374434
Energy: 2.334044718510547
Energy: 2.0230623756615906
Energy: 2.0205684429009807
Energy: 2.0246270854397186
Energy: 2.3780093247282963
Energy: 2.285579569063111
Energy: 2.1711171137503578
Energy: 2.2001021137821812
Energy: 2.0291192250440147
Energy: 2.42344916823283
Energy: 2.161345537221629
Energy: 2.285633942478282
Energy: 2.265474366080429
Energy: 2.251837381528556
Energy: 2.417957586974586

minimum gb energy = 1.901076311461618 eV
minimum distance =  2.45534868733889 Angstroms
sigma value = 57


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

Energy: 3.194895609359101
Energy: 1.9626307776187664
Energy: 2.1016819857955427
Energy: 2.1004442206451257
Energy: 2.101671688466961
Energy: 3.0332684797403355
Energy: 2.2543594496355364
Energy: 2.0860322435147114
Energy: 2.08256838391146
Energy: 2.294147639176168
Energy: 2.0490179425803308
Energy: 2.088571394160827
Energy: 1.9132134594398769
Energy: 2.0262782576375464
Energy: 2.083600657263694
Energy: 1.8970838111318309
Energy: 2.0846074098223366
Energy: 1.9201488461814602
Energy: 1.9174518374290903
Energy: 2.0245831924104314
Energy: 2.114429243164626
Energy: 1.919852835797123
Energy: 2.1151082880963124
Energy: 1.9194307726628994
Energy: 1.9207114725597996
Energy: 2.022743383359259
Energy: 2.083282503056693
Energy: 2.104531309150486
Energy: 2.083211655156171
Energy: 2.023448087041103
Energy: 1.918446856574068
Energy: 2.085118567508017
Energy: 2.5716109033603574
Energy: 2.1031319205092123
Energy: 2.0832542178047673
Energy: 2.082012948795542
Energy: 2.10519211142853
Energy: 2.0476273484751046
Energy: 2.1028158347784913
Energy: 2.107099956657185
Energy: 2.1111810906668684
Energy: 2.0853824783651542
Energy: 2.1044737482108324
Energy: 2.0831635722713093
Energy: 2.0930201595190083
Energy: 2.0911555616025774
Energy: 2.374984535823109
Energy: 2.106318800675919
Energy: 2.0909358178921433
Energy: 2.082775578024173
Energy: 2.263440068667981
Energy: 2.252949598114267
Energy: 2.0839038381742045
Energy: 1.9210009059999842
Energy: 2.105847192661191
Energy: 2.084063439424259
Energy: 2.262330204335766
Energy: 2.2536405181125656
Energy: 2.083864046940996
Energy: 1.9135797572247144
Energy: 1.896045128470301
Energy: 2.083822962726571
Energy: 2.082196659994333
Energy: 1.918567250321954
Energy: 2.0838486098942424
Energy: 2.09198333395145
Energy: 1.9014306464944508
Energy: 2.0842444248025833
Energy: 2.023675812393975
Energy: 1.9170617559665861
Energy: 2.0235466988667214
Energy: 2.046774659782421
Energy: 1.9206237104662132
Energy: 2.116607977063523
Energy: 2.023257935646435
Energy: 1.9167965240263614
Energy: 2.0217207433849858
Energy: 2.1150857856677145
Energy: 2.290693238457362
Energy: 2.0849785119787336
Energy: 1.913343954298196
Energy: 1.9184109411586876
Energy: 2.0226125976690916
Energy: 2.1104639085731645
Energy: 2.294068041263778
Energy: 2.084064253077087
Energy: 2.082056208917677
Energy: 1.9205150958199724
Energy: 2.085772727767294
Energy: 2.102505482124102
Energy: 2.105378380377074
Energy: 2.1010873603360474
Energy: 2.102246252410503
Energy: 2.379685176043443
Energy: 2.108113008052835
Energy: 2.10176677287237
Energy: 2.25414038773825
Energy: 2.087256010730949
Energy: 2.085087160884206
Energy: 2.090162849339221
Energy: 2.0842085885374213
Energy: 2.109771741633566

minimum gb energy = 1.896045128470301 eV
minimum distance =  2.47492476282169 Angstroms
sigma value = 9


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

Energy: 3.460243051382875
Energy: 2.1147532139561838
Energy: 2.1297832861699266
Energy: 2.1334782430220787
Energy: 2.1266418641690805
Energy: 2.1139877888031595
Energy: 2.068578250310932
Energy: 2.0417292058894474
Energy: 2.291292254882016
Energy: 2.126121515833796
Energy: 2.0405291264471432
Energy: 2.3002345730628178
Energy: 2.038004884869164
Energy: 2.032447617660214
Energy: 2.319588328120433
Energy: 2.0734067813904473
Energy: 2.0329743588089353
Energy: 2.0306768046850032
Energy: 2.028888973630319
Energy: 2.033864057600791
Energy: 2.1910329618985087
Energy: 2.042140006363981
Energy: 2.294460800563466
Energy: 2.0299082124956276
Energy: 2.076972335943078
Energy: 2.094251594535796
Energy: 2.0851103585362964
Energy: 2.0342048822308696
Energy: 2.0925450056136423
Energy: 2.1926784381638966
Energy: 2.033549071317351
Energy: 2.1899322264215653
Energy: 2.1912011796376882
Energy: 2.029541538339847
Energy: 2.2007343406677826
Energy: 2.14377264530296
Energy: 2.130466615244526
Energy: 2.0323540447075565
Energy: 2.0340022710340473
Energy: 2.0337678382609763
Energy: 2.0835854687603512
Energy: 2.1900798078661885
Energy: 2.129978960068205
Energy: 2.2631022625347974
Energy: 2.105368935828566
Energy: 2.0305290179370203
Energy: 2.1209528053401554
Energy: 2.2924054647831906
Energy: 2.1291582638085873
Energy: 2.1272873190851223
Energy: 2.445065943323154
Energy: 2.1242192162766096
Energy: 2.2629012965361546
Energy: 2.126603087873272
Energy: 2.1284729030346834
Energy: 2.2924530826660283
Energy: 2.4541602968109504
Energy: 2.124072303822113
Energy: 2.2630587696946454
Energy: 2.292020824030583
Energy: 2.159403544442859
Energy: 2.2620290726586294
Energy: 2.1282795024201797
Energy: 2.1265382503589416
Energy: 2.0297835227953867
Energy: 2.077368806863116
Energy: 2.1600599593661225
Energy: 2.2637422142995605
Energy: 2.1270431395841363
Energy: 2.1305557300077105
Energy: 2.2656466172917096
Energy: 2.0647634843504132
Energy: 2.0301972727481314
Energy: 2.2006179506669254
Energy: 2.2624971930352697
Energy: 2.072334135582097
Energy: 2.262807911493278
Energy: 2.2010311186554135
Energy: 2.032955315806163
Energy: 2.0344115454026404
Energy: 2.2442772355548746
Energy: 2.0715231543188475
Energy: 2.031314647364436
Energy: 2.031930644118951
Energy: 2.0297583516629216
Energy: 2.1991634150258825
Energy: 2.1461675365781403
Energy: 2.0320082552068075
Energy: 2.19026740406063
Energy: 2.1858721685536984
Energy: 2.029332306555743
Energy: 2.1831586798146656
Energy: 2.1997432210235908
Energy: 2.030760526760079
Energy: 2.0922892466069962
Energy: 2.1456590196213443
Energy: 2.0426816104537044
Energy: 2.186860634848766
Energy: 2.0372632603780847
Energy: 2.0333266036239066
Energy: 2.0322893568278335
Energy: 2.190662614786002
Energy: 2.1299235536484984
Energy: 2.262460033918829
Energy: 2.0322411484937697
Energy: 2.0294003795375737
Energy: 2.0876268397250493
Energy: 2.2616223404107623
Energy: 2.129078845372145
Energy: 2.0411783189160513
Energy: 2.292857865306653
Energy: 2.1208900851999934
Energy: 2.26220171693725
Energy: 2.1271151156396426
Energy: 2.128549273130603
Energy: 2.128044775198291
Energy: 2.1281849131609256
Energy: 2.1250741482388613
Energy: 2.127224061556211
Energy: 2.127604576723267
Energy: 2.1594616769413997
Energy: 2.0405121820839205
Energy: 2.2928063270624115
Energy: 2.128674229303762
Energy: 2.040265127651195
Energy: 2.0424735866471817

minimum gb energy = 2.028888973630319 eV
minimum distance =  2.44806764559387 Angstroms
sigma value = 27


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

Energy: 2.2114477322805004
Energy: 2.1094232022683745
Energy: 2.057617843085921
Energy: 2.060335301199562
Energy: 2.058155257342898
Energy: 2.108036933378203
Energy: 2.057006757303897
Energy: 2.0902097357686897
Energy: 2.3060788462355055
Energy: 2.1070571875713946
Energy: 2.289952345556939
Energy: 1.9968888544020658
Energy: 1.9908897298553603
Energy: 1.992566174995145
Energy: 2.3690077106898775
Energy: 2.2972879082097504
Energy: 1.9898236340627626
Energy: 1.9891166358089813
Energy: 2.0365915717820426
Energy: 1.9985944376781717
Energy: 2.2034498339276474
Energy: 1.9965647317515092
Energy: 2.1908897867800805
Energy: 2.0351048129876284
Energy: 2.0607110903337813
Energy: 2.135062953338293
Energy: 2.0878243879327028
Energy: 1.9977045404353888
Energy: 2.180713858634987
Energy: 2.2386780424708475
Energy: 1.9961757857939
Energy: 2.2536643723327683
Energy: 2.088412457413663
Energy: 1.9983559764721526
Energy: 2.0935024570116894
Energy: 2.2539168553886606
Energy: 2.0345684072254655
Energy: 2.1400160073236942
Energy: 2.0895907790451895
Energy: 2.0270978830766815
Energy: 2.1195832986684198
Energy: 2.133269307460832
Energy: 2.0340880420225833
Energy: 2.2386729636833023
Energy: 2.1584016966361386
Energy: 1.9933434988479426
Energy: 2.3280654528977074
Energy: 2.0352036858084674
Energy: 2.0347358336609838
Energy: 2.0380794685185575
Energy: 2.037622703253002
Energy: 2.106949770617979
Energy: 2.0384995749285406
Energy: 2.035741541655207
Energy: 1.987719458619617
Energy: 2.227828507243531
Energy: 2.2587412017174637
Energy: 2.107536168798582
Energy: 2.2898395638009643
Energy: 2.1633805556267944
Energy: 2.10649002687081
Energy: 2.2898505756594965
Energy: 2.056996331529907
Energy: 2.108080931151502
Energy: 2.1075491790518877
Energy: 2.048380263302299
Energy: 2.1071375756711053
Energy: 2.2912003379006056
Energy: 2.228626424116252
Energy: 2.0565827708270854
Energy: 2.0511873326435226
Energy: 2.0490707473525323
Energy: 2.057458304349006
Energy: 2.1638933666648157
Energy: 2.07404106462716
Energy: 2.074560091893758
Energy: 2.396037236766257
Energy: 2.057044277048299
Energy: 2.1124447611293804
Energy: 2.049635703063313
Energy: 2.3061183302191104
Energy: 2.12111617683206
Energy: 2.2899519680286087
Energy: 2.106433202304928
Energy: 2.0736386754876763
Energy: 2.241368553880093
Energy: 2.1632406320335815
Energy: 1.9878529442479902
Energy: 2.16399910587865
Energy: 2.26414375737295
Energy: 2.074159378576232
Energy: 2.325583085222012
Energy: 1.9956985460679395
Energy: 2.037334020033756
Energy: 1.9979588575462413
Energy: 2.3621635356233606
Energy: 1.9961502354185237
Energy: 2.1562010954976305
Energy: 2.2375582588140697
Energy: 1.9871219370357063
Energy: 2.134510766534143
Energy: 1.9943237479670233
Energy: 1.9939615099556631
Energy: 2.1171104696983383
Energy: 2.1475440520211424
Energy: 2.0386696390551524
Energy: 2.2039960838535873
Energy: 2.0887289145810004
Energy: 1.993938491117013
Energy: 2.1172419332871915
Energy: 2.146463951236966
Energy: 2.03812376399566
Energy: 2.203365964980643
Energy: 2.085784823442503
Energy: 1.9951268107319782
Energy: 2.1577656068741797
Energy: 2.238799112661291
Energy: 2.035337745844788
Energy: 2.2398371585459964
Energy: 1.9940300862785818
Energy: 2.0490854712394087
Energy: 2.3619116730573557
Energy: 2.036826557356656
Energy: 2.0373704397617955
Energy: 2.0362017708328204
Energy: 2.1569191549597573
Energy: 2.032263576424179
Energy: 2.2882240755633196
Energy: 1.9890215823198678
Energy: 1.9879402948136413
Energy: 1.988530458616753
Energy: 2.288192681588311
Energy: 2.111413482023779
Energy: 1.9967633753789156
Energy: 2.0492522860513547
Energy: 2.106126425480518
Energy: 2.289054165583897
Energy: 2.108508781036228
Energy: 2.057402474499196
Energy: 2.2279080912911677
Energy: 2.281921834987635
Energy: 2.1061596218672203
Energy: 2.2416855167663665
Energy: 2.228593140516252
Energy: 2.122104518150096
Energy: 2.497564581396808
Energy: 2.1645803988064696
Energy: 2.0568347980828325
Energy: 2.183427635952295
Energy: 1.9883932592142735

minimum gb energy = 1.9871219370357063 eV
minimum distance =  2.44848326479066 Angstroms
sigma value = 19


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

Energy: 2.2445470716854725
Energy: 1.9970833931770762
Energy: 2.060762963913054
Energy: 2.060532205068393
Energy: 2.0600656233831653
Energy: 2.068979297727977
Energy: 1.9616699266143487
Energy: 1.9894383870431884
Energy: 2.098500328020104
Energy: 2.139551684243908
Energy: 2.0205320166839025
Energy: 2.0567034970260516
Energy: 1.9777140198162733
Energy: 1.9439668985559801
Energy: 1.9724702736515674
Energy: 1.91394917187297
Energy: 1.9774398386195955
Energy: 1.9778357181720696
Energy: 2.0326882799766204
Energy: 1.9599610652380837
Energy: 2.197946650822391
Energy: 2.002958781869459
Energy: 2.1535628176519372
Energy: 2.0333176602508654
Energy: 1.9722367233343157
Energy: 2.1339627682877915
Energy: 2.0402425590220465
Energy: 1.9794547917139
Energy: 2.075878967812414
Energy: 2.254646264340297
Energy: 1.9314855568862999
Energy: 2.226068309214859
Energy: 1.94358223441481
Energy: 1.9446438040112428
Energy: 2.043274459026628
Energy: 2.1032707162848094
Energy: 1.9576355360912556
Energy: 2.1284247401898475
Energy: 2.1294058231530677
Energy: 2.1171979008205617
Energy: 2.1301740641664133
Energy: 2.1219077600709104
Energy: 1.9585055095312855
Energy: 2.125601163438952
Energy: 2.2253238376193267
Energy: 1.9437655718567883
Energy: 2.2508413599654453
Energy: 1.958346682698
Energy: 1.9840274632667287
Energy: 2.0315656725742284
Energy: 2.032686303309459
Energy: 1.9749894610548857
Energy: 2.0340206141268555
Energy: 2.0275930606386643
Energy: 1.9549317706687623
Energy: 1.9738843908011943
Energy: 1.973000716023239
Energy: 2.0391668536988705
Energy: 2.3083502869503687
Energy: 1.9511323082460845
Energy: 1.9818669849225696
Energy: 1.9833253668593842
Energy: 1.9853243896914512
Energy: 1.9737683632526255
Energy: 2.040404301843774
Energy: 1.9848721255705561
Energy: 2.032595871865663
Energy: 2.0312876425810167
Energy: 2.203845446719594
Energy: 1.9530006694284503
Energy: 1.9405583365621113
Energy: 1.9545066785509766
Energy: 2.0566006682102027
Energy: 2.0541746030581347
Energy: 2.0502761247979344
Energy: 2.085586487291671
Energy: 1.9805719803099173
Energy: 2.0547369424007185
Energy: 2.07793267967765
Energy: 2.0180197506919653
Energy: 1.9481448247914592
Energy: 2.023038638715838
Energy: 2.3903340069271573
Energy: 2.0554999848408495
Energy: 1.9451952727469828
Energy: 2.0137272982879795
Energy: 1.9605467391258502
Energy: 1.9601264964628655
Energy: 1.9605339484123054
Energy: 2.0741436999851173
Energy: 1.9912143671323228
Energy: 1.8675112840461818
Energy: 2.1022826639546284
Energy: 2.058394704480705
Energy: 1.9573867465479375
Energy: 1.8982606056895595
Energy: 1.9894567045891272
Energy: 1.9720887871621866
Energy: 1.9573671341235455
Energy: 2.004569850060483
Energy: 1.9061978955306893
Energy: 1.9396391423537862
Energy: 2.0113056254383013
Energy: 1.9184174640028768
Energy: 1.9187634868830032
Energy: 2.080989855286252
Energy: 1.9128008771444984
Energy: 1.9945060006958848
Energy: 1.9723167254472826
Energy: 2.165872453986442
Energy: 1.9350007610972784
Energy: 1.9338386502993503
Energy: 2.175820636152857
Energy: 2.204586471997123
Energy: 1.9563918447833188
Energy: 2.067715110962465
Energy: 1.9568081163594948
Energy: 1.9554599248781481
Energy: 2.057408803925683
Energy: 1.9236283678516244
Energy: 1.9608058493355125
Energy: 2.2196452977713244
Energy: 2.154955368766077
Energy: 1.9342474210766538
Energy: 2.1574509638151964
Energy: 1.9603859336946672
Energy: 1.9589584378934062
Energy: 2.117470497696546
Energy: 1.9445906197069036
Energy: 1.956908662306914
Energy: 2.1671959440254582
Energy: 2.1256675135058165
Energy: 1.9588960382230127
Energy: 2.0549730761444294
Energy: 2.128411719429968
Energy: 2.0212219083673864
Energy: 1.9590233673961783
Energy: 1.9588940402839532
Energy: 1.958447683774194
Energy: 1.9780558966690716
Energy: 2.2814313836640223
Energy: 1.9575156690210127
Energy: 2.281753321011743
Energy: 1.942410049506015
Energy: 2.0320972851218984
Energy: 2.371360416065351
Energy: 2.0211991224915278
Energy: 2.0199908128968205
Energy: 2.0478637514012297
Energy: 1.9591444625241132
Energy: 1.9819633743941534
Energy: 1.9633979300637117
Energy: 1.961770207838012
Energy: 1.9574784005487453
Energy: 1.9868004776858508
Energy: 2.020243215765801
Energy: 2.0602691266199717
Energy: 2.058806957226817
Energy: 2.010309895148725
Energy: 2.0857358810974573
Energy: 1.9554966747912146
Energy: 2.0593403833403814
Energy: 2.0599122540442254
Energy: 2.1426796936536467
Energy: 1.995232289713992
Energy: 2.099587979300807
Energy: 2.00119868739735
Energy: 2.1428001495784543
Energy: 2.019872115947455
Energy: 2.2550667493839756
Energy: 2.201641011216982
Energy: 2.058990477427743
Energy: 2.2112197628186077
Energy: 1.9287392592959363

minimum gb energy = 1.8675112840461818 eV
minimum distance =  2.44086171817963 Angstroms
sigma value = 101


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

Energy: 2.0342758768143883
Energy: 1.9027170183937088
Energy: 1.9880188968265105
Energy: 1.989357553300532
Energy: 1.988448691769925
Energy: 2.3805590631878606
Energy: 1.9321429618034933
Energy: 1.8972409888616644
Energy: 1.858395492488063
Energy: 2.0012365064703563
Energy: 1.8323990133908672
Energy: 2.0308946551342655
Energy: 1.8593560523362633
Energy: 1.832210724023148
Energy: 1.8380798370535296
Energy: 2.388573978569244
Energy: 1.856953664409141
Energy: 1.859318322828927
Energy: 1.8559701437002434
Energy: 1.8303810184347906
Energy: 1.8295035484018694
Energy: 1.869931698065368
Energy: 1.8264109068607162
Energy: 1.8584690795351293
Energy: 1.809310113307643
Energy: 2.022479591810298
Energy: 1.8310234549691098
Energy: 1.8355686407210465
Energy: 1.834808829235353
Energy: 2.1065015295713074
Energy: 1.8294274576058094
Energy: 2.158733015025423
Energy: 1.8309107035778844
Energy: 1.8717942170034294
Energy: 1.8298947428688006
Energy: 1.8287764040713324
Energy: 1.8390756735443798
Energy: 2.033316250576118
Energy: 2.067459237210712
Energy: 2.067674254218509
Energy: 2.0800519350087874
Energy: 2.0286042447176316
Energy: 1.8384271805722991
Energy: 2.0314812571425946
Energy: 2.1363369712738063
Energy: 1.8166237740521471
Energy: 2.1508039155496927
Energy: 1.836923668468644
Energy: 1.8865727887000006
Energy: 2.0329094785900437
Energy: 2.0665185680050304
Energy: 1.8692223302396305
Energy: 2.090731320997253
Energy: 2.0312103140226587
Energy: 1.8330180296811076
Energy: 2.1578844260009005
Energy: 1.8332215651236765
Energy: 1.8685707897302104
Energy: 2.0664634075361517
Energy: 1.8284123878980614
Energy: 1.8980053372729122
Energy: 2.023192789145871
Energy: 1.8347841860900214
Energy: 1.8303507856007621
Energy: 1.8333113347339864
Energy: 2.023012609957052
Energy: 1.8586135278521596
Energy: 2.021991033870651
Energy: 1.9293534706102935
Energy: 1.8694822014743444
Energy: 1.9291382164112885
Energy: 1.8570990314641111
Energy: 1.8589696751709195
Energy: 1.8598532173659128
Energy: 1.8575307226383717
Energy: 1.8539103522661986
Energy: 1.8603720994017385
Energy: 1.8591220056512656
Energy: 1.8574423922404002
Energy: 2.1313379916007644
Energy: 1.8302881237373143
Energy: 1.853512797351722
Energy: 1.8577748448630511
Energy: 2.1282550635127424
Energy: 1.9654762427478778
Energy: 2.205902527220648
Energy: 1.987659170738053
Energy: 1.9898308396174915
Energy: 1.9869023380344268
Energy: 1.8677712651704501
Energy: 1.8876743665959
Energy: 1.9287390190730354
Energy: 2.156031923200997
Energy: 1.9553155017574302
Energy: 1.86576309109822
Energy: 1.8900558343875298
Energy: 1.9880667187760486
Energy: 1.8573914295413227
Energy: 1.8994055014461775
Energy: 1.8970296807735492
Energy: 1.8577624919751818
Energy: 1.987143384526689
Energy: 1.988001863850339
Energy: 1.8733403163895739
Energy: 1.9273296860294988
Energy: 1.9326771809607886
Energy: 1.8702831593210323
Energy: 1.988532639771593
Energy: 1.8989768074523086
Energy: 1.8652810575968515
Energy: 2.033564881147452
Energy: 1.8595649939720311
Energy: 1.8585826622705413
Energy: 1.810454352098288
Energy: 1.9063814281900153
Energy: 1.826449161904493
Energy: 1.8598856354049647
Energy: 1.8590978120602162
Energy: 1.8282282237982994
Energy: 2.152298125174651
Energy: 1.830115848382093
Energy: 1.8336527126025615
Energy: 2.024561726355075
Energy: 1.8084719270944272
Energy: 2.025838162388748
Energy: 1.8344415554279043
Energy: 1.8694068958551004
Energy: 1.8311927927222111
Energy: 2.1575715789783656
Energy: 1.8588923160330497
Energy: 2.1602237061427587
Energy: 1.8314484205232873
Energy: 1.8705748858376623
Energy: 2.0686031062251558
Energy: 1.8880851973960278
Energy: 1.8389178939232538
Energy: 2.0512078304183596
Energy: 2.0669598813427625
Energy: 1.8731898347219573
Energy: 2.135288170781971
Energy: 2.0331264857987015
Energy: 1.8376832110637829
Energy: 2.0352753973514393
Energy: 1.8145813977277452
Energy: 1.8690321580019433
Energy: 2.061811167179435
Energy: 2.0323467482548025
Energy: 1.8374550134676364
Energy: 2.0341661756131555
Energy: 1.8306190522955583
Energy: 1.8301423996670272
Energy: 2.0664811798858973
Energy: 1.8293278333649308
Energy: 1.8396770890166618
Energy: 2.1369055580086593
Energy: 2.067868681208428
Energy: 1.8317277302567385
Energy: 1.8346312379673477
Energy: 2.158302714550953
Energy: 1.8575473456352294
Energy: 1.8363116661902834
Energy: 1.8305941367686935
Energy: 1.8690922665876863
Energy: 1.8335887993759163
Energy: 2.2536246534302014
Energy: 1.8982871413318583
Energy: 2.252257473276498
Energy: 1.8340958169882147
Energy: 1.854137870961412
Energy: 1.8565094103311641
Energy: 1.8588517319489077
Energy: 1.8622264253235734
Energy: 1.9305216339014035
Energy: 1.8309835775992376
Energy: 1.854311269993551
Energy: 1.8598778129572446
Energy: 2.1288065372010805
Energy: 1.8569589240965705
Energy: 1.9293851256012198
Energy: 1.8301288558364635
Energy: 1.9894570175944124
Energy: 1.987761609813916
Energy: 2.2090653084593734
Energy: 1.9668685626417979
Energy: 2.289894732736994
Energy: 1.9875687485796343
Energy: 1.9879408806263459
Energy: 2.1545182068981
Energy: 2.2061784312810393
Energy: 1.9667559180764906
Energy: 2.2049885876227093
Energy: 2.154678603807691
Energy: 1.8970484533597451
Energy: 1.8569590356740133
Energy: 2.029754042289836
Energy: 1.9870526725947752
Energy: 2.0317882938096226
Energy: 1.8084322304558558

minimum gb energy = 1.8084322304558558 eV
minimum distance =  2.48215813003988 Angstroms
sigma value = 33


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

Energy: 0.019613164345551617
Energy: 0.020168334147244966
Energy: 28.157115710111682
Energy: 2.406034594976621
Energy: 27.985691969044233
Energy: 0.020352477665291583
Energy: 0.02025998133448305
Energy: 45.97979080409879
Energy: 1.054387171801201
Energy: 0.9298850273928524
Energy: 46.168000660098244
Energy: 0.99969851453695
Energy: 2.46422389455173
Energy: 28.15609967025174
Energy: 0.020351482033001866
Energy: 0.019839493247244627
Energy: 27.837147689717284
Energy: 28.120977065393696
Energy: 0.7494320963874552
Energy: 45.99685864266189
Energy: 0.9962810862076067
Energy: 0.9031675784741842
Energy: 46.100144740834736
Energy: 0.964772332416996

minimum gb energy = 0.019613164345551617 eV
minimum distance =  2.60051846784883 Angstroms
sigma value = 1