Model name: model_name=EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.560000121593475
cohesive_energy=4.4003460121350955
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-6.3070484285727e-19, -6.83589489192342e-19, -1.7336352268197e-19, 2.6198311666177797e-19, 4.75580498976756e-19, 5.074429856971139e-19, 4.9400873462102395e-19, 5.080998781170539e-19, 5.33946191576742e-19, 5.622230069902079e-19, 5.891523918544799e-19, 6.13402937386704e-19, 6.34450731827562e-19, 6.52031416032444e-19, 6.66074494229454e-19, 6.76970897517288e-19, 6.852637637748719e-19, 6.914882199979619e-19, 6.961072952337839e-19, 6.99484683578256e-19, 7.018863463526219e-19, 7.0354780352208e-19, 7.04582809627644e-19, 7.0495771896e-19, 7.044674529099959e-19, 7.0264257372387e-19, 6.986611647883799e-19, 6.91400100283092e-19, 6.799333221135539e-19, 6.642432063367919e-19, 6.45646742145954e-19, 6.2680354275348e-19, 6.10756141587336e-19, 5.97222555559938e-19, 5.84022222272412e-19, 5.71691870897148e-19, 5.65196646822912e-19, 5.740743075519059e-19, 6.141383364617099e-19, 7.103923021025279e-19, 9.140305544605619e-19, 1.378115436088368e-18, 2.45536773513768e-18]
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: 0.01750047999853541
Energy: 0.5809925285585807
Energy: 0.018274787336524528
Energy: 0.020675846470414535
Energy: 0.5822278963307633
Energy: 0.018115457420131653
Energy: 0.5809925285472268
Energy: 0.09629216551574364
Energy: 0.09596889586905892
Energy: 0.0949631328152334
Energy: 0.09480840499608553
Energy: 0.09654540339663685
Energy: 0.018274787336524528
Energy: 0.0959688958693823
Energy: 0.0954200892044972
Energy: 0.018435324659817974
Energy: 0.0964391527675786
Energy: 0.09630945516609976
Energy: 0.020675846470414535
Energy: 0.09496313281774853
Energy: 0.0184353246594946
Energy: 0.018070470429730364
Energy: 0.09508647266917815
Energy: 0.01814105641631974
Energy: 0.582227896317505
Energy: 0.09480840498818084
Energy: 0.09643915275651205
Energy: 0.09508647265117705
Energy: 0.09605670099502348
Energy: 0.09604559535346205
Energy: 0.018115457420131653
Energy: 0.0965454033953793
Energy: 0.09630945516135696
Energy: 0.01814105641631974
Energy: 0.09604559533639513
Energy: 0.018494867331144114

minimum gb energy = 0.01750047999853541 eV
minimum distance =  2.51102790309593 Angstroms
sigma value = 1


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

Energy: 1.9709325491730367
Energy: 1.0614220516477513
Energy: 1.0936116274743755
Energy: 0.9400297931762175
Energy: 1.0607340813440733
Energy: 1.0896868096620616
Energy: 1.5877875058457613
Energy: 1.0538406510145442
Energy: 1.054241431422485
Energy: 1.0226803016853643
Energy: 1.0540406818750458
Energy: 1.0530994726879144
Energy: 1.6950245389789387
Energy: 1.0537453531829297
Energy: 1.0540633567125652
Energy: 1.0564833248425218
Energy: 1.0547692147878422
Energy: 1.0491439226509687
Energy: 1.7560839950184974
Energy: 1.090375429844131
Energy: 1.043938715294381
Energy: 1.090777048004523
Energy: 1.054796297600436
Energy: 1.0442685666313185
Energy: 1.6835180803523726
Energy: 1.0634241486661882
Energy: 1.0223405278346356
Energy: 1.0555696098908995
Energy: 1.0574042629953588
Energy: 1.0203384687089365
Energy: 1.611984328349729
Energy: 1.0217237360030698
Energy: 1.0681353307226058
Energy: 1.0826633402504269
Energy: 1.0555635104926673
Energy: 1.054162176501759
Energy: 1.6138070335899433
Energy: 0.9476802742462518
Energy: 1.0718935568863561
Energy: 1.0832840146377138
Energy: 0.9482869403831791
Energy: 1.070646335951804
Energy: 1.46179673427281
Energy: 1.087961513957642
Energy: 1.0891622347922252
Energy: 0.9640814465155727
Energy: 1.0890162183167071
Energy: 0.9479443637956488
Energy: 1.324875236168636
Energy: 1.0573176312428927
Energy: 1.02877647344212
Energy: 1.055936680694005
Energy: 1.0589711579624568
Energy: 1.0849777690097737
Energy: 1.3310822174730346
Energy: 1.04867395407934
Energy: 1.0203476298322636
Energy: 1.0576405798268753
Energy: 1.0204332116298598
Energy: 1.020568386263363
Energy: 1.1301290641181196
Energy: 1.0109806635514538
Energy: 1.012423033481021
Energy: 1.0915243776224752
Energy: 1.0106933054297889
Energy: 1.064584985926671
Energy: 1.054284803115894
Energy: 1.0216854670839575
Energy: 1.0525383901944578
Energy: 1.0538776931179386
Energy: 1.0856156620070647
Energy: 1.0545722162132503
Energy: 1.0531344652964092
Energy: 1.051624334214348
Energy: 1.0518499633042446
Energy: 1.0531111764690009
Energy: 1.0172794263357738
Energy: 1.054242272976565
Energy: 1.1318660363289548
Energy: 1.043989849585287
Energy: 1.0427425152564238
Energy: 1.0584839393256567
Energy: 1.0499319519196115
Energy: 1.0516079245820082
Energy: 1.1512430460121288
Energy: 1.0515812066203736
Energy: 1.0520186977301045
Energy: 1.0574340654191892
Energy: 1.0203493441177733
Energy: 1.0453630847193935
Energy: 1.1451521706226246
Energy: 1.0573275581729649
Energy: 1.0477624636528127
Energy: 1.055405479797447
Energy: 1.0602949551127014
Energy: 1.0734954209756036
Energy: 1.4680131428157068
Energy: 1.0489661614272376
Energy: 1.0489408090890802
Energy: 1.0673595720079017
Energy: 1.0912106493265
Energy: 1.0468081439269854
Energy: 1.5093093394305177
Energy: 0.9474044559620001
Energy: 1.08753550107534
Energy: 1.080411115578028
Energy: 0.9500954743749034
Energy: 1.0583679198876177
Energy: 1.5045451115620347
Energy: 1.0567923511028132
Energy: 1.086486076829144
Energy: 1.0730888656705293
Energy: 1.0867994329549466
Energy: 1.0893375499901137
Energy: 1.694887947939218
Energy: 1.0725408902760243
Energy: 1.0576561970881944
Energy: 1.0568847683844915
Energy: 1.072645716091609
Energy: 1.05918374787981
Energy: 1.6443663327128095
Energy: 1.047892269746915
Energy: 1.017775677198857
Energy: 1.0969058264172857
Energy: 1.05418016793266
Energy: 1.0152919733327974
Energy: 1.642449680405178
Energy: 1.067537970388723
Energy: 1.040430098587082
Energy: 1.0735234444071153
Energy: 1.067325910164557
Energy: 1.0720928195180892
Energy: 1.6424733536266634
Energy: 1.054342516149614
Energy: 1.0514072571293216
Energy: 1.0145660388975897
Energy: 1.0540226257708074
Energy: 1.0533574085621074

minimum gb energy = 0.9400297931762175 eV
minimum distance =  2.37582311589291 Angstroms
sigma value = 33


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

Energy: 2.313623229973665
Energy: 1.1498735161720894
Energy: 1.1374224518901397
Energy: 1.1106690936429988
Energy: 1.1656959689402808
Energy: 1.1849268408023994
Energy: 1.6443906673557485
Energy: 1.0942631950308555
Energy: 1.0944209703968992
Energy: 1.0823277606921815
Energy: 1.095910955640623
Energy: 1.0947381784478707
Energy: 1.7090367968246098
Energy: 1.0945182951881696
Energy: 1.0963996670398377
Energy: 1.1630355075719325
Energy: 1.0939127280218213
Energy: 1.094338448286621
Energy: 1.7291561401521307
Energy: 1.2311718504300337
Energy: 1.1045449321633571
Energy: 1.1510922350902744
Energy: 1.1049432703407038
Energy: 1.1124768398741014
Energy: 1.6464534625980296
Energy: 1.0986325213281216
Energy: 1.096619227476344
Energy: 1.0651238633653664
Energy: 1.101527885371985
Energy: 1.0663657184637496
Energy: 1.7492460751472758
Energy: 1.1004719583294722
Energy: 1.0727732793524587
Energy: 1.124900953479694
Energy: 1.0962889180451334
Energy: 1.213890101855384
Energy: 1.749260673469288
Energy: 1.234623338638067
Energy: 1.223104312585215
Energy: 1.2450079557913574
Energy: 1.216494207609044
Energy: 1.2285557177134991
Energy: 1.6035318667039467
Energy: 1.1253386056651375
Energy: 1.1629035048911707
Energy: 1.0708464773475586
Energy: 1.101890106263959
Energy: 1.0962699705197199
Energy: 1.4357630594502857
Energy: 1.114124926267334
Energy: 1.2494221801690188
Energy: 1.258289201260992
Energy: 1.1291193530301216
Energy: 1.2484171035607559
Energy: 1.4341725567484442
Energy: 1.2394014561882933
Energy: 1.2434409157662887
Energy: 1.2270578153741933
Energy: 1.2484708269099787
Energy: 1.240353583742327
Energy: 1.3170989425590214
Energy: 1.084406540015427
Energy: 1.0841687467252235
Energy: 1.2964271985779796
Energy: 1.0837428385811816
Energy: 1.0837547928147602
Energy: 1.2472577678589125
Energy: 1.0284147590124253
Energy: 1.2202260965980438
Energy: 1.2278880395281582
Energy: 1.0277794035078704
Energy: 1.209964921592909
Energy: 1.230212309297538
Energy: 1.2238835837532076
Energy: 1.2204907811537666
Energy: 1.2284004949608989
Energy: 1.201935418034772
Energy: 1.2176830490045005
Energy: 1.2345458154629991
Energy: 1.1188903974242772
Energy: 1.1121362601557745
Energy: 1.2770334107723624
Energy: 1.116357923989996
Energy: 1.1259291573581236
Energy: 1.3913219900754308
Energy: 1.2388393990739301
Energy: 1.2122574314592074
Energy: 1.224008757376327
Energy: 1.2005482599434023
Energy: 1.2296244339932043
Energy: 1.388557464492405
Energy: 1.2390087629146682
Energy: 1.2286941451696203
Energy: 1.2215072505610074
Energy: 1.2488861049466724
Energy: 1.217936076215327
Energy: 1.5812739736484673
Energy: 1.240030858675552
Energy: 1.211448195282397
Energy: 1.178828201357241
Energy: 1.2501646316648
Energy: 1.2306819083228506
Energy: 1.5764875993844085
Energy: 1.212676972414757
Energy: 1.1846046979045126
Energy: 1.1577981065780127
Energy: 1.2859088185706407
Energy: 1.1852618420837155
Energy: 1.5763007647908933
Energy: 1.2615020387952565
Energy: 1.254996799631047
Energy: 1.1585243485049919
Energy: 1.2608221767271668
Energy: 1.2535844771890332
Energy: 1.6807906983198488
Energy: 1.2301178862172906
Energy: 1.239430859786459
Energy: 1.2043114898926848
Energy: 1.2310411980078042
Energy: 1.242989754361225
Energy: 1.809441373531509
Energy: 1.240890766551013
Energy: 1.0838553277745238
Energy: 1.0852816494559478
Energy: 1.253220734418451
Energy: 1.0840964269107185
Energy: 1.786406328947918
Energy: 1.2380252382800352
Energy: 1.2116005175821105
Energy: 1.0291974375832302
Energy: 1.2370279291694872
Energy: 1.2166769982730914
Energy: 1.5869044651382764
Energy: 1.2283163657709173
Energy: 1.2199068418749686
Energy: 1.2140888951035433
Energy: 1.2288712001918136
Energy: 1.2197579544000208
Energy: 1.7333521383389414
Energy: 1.2480507714739615
Energy: 1.2235731536192174
Energy: 1.1273947084519504
Energy: 1.242851972697923
Energy: 1.1353301947407393
Energy: 1.621822910055553
Energy: 1.2207477904524418
Energy: 1.2267155506773928
Energy: 1.1823153504887893
Energy: 1.2225324337396601
Energy: 1.204765251433052
Energy: 1.754749686242306
Energy: 1.2342620604445795
Energy: 1.2364395535809574
Energy: 1.2463183787519476
Energy: 1.2075159395040063
Energy: 1.2310668294634852
Energy: 1.7540577274007367
Energy: 1.208950571067923
Energy: 1.207635185453633
Energy: 1.2319088142938328
Energy: 1.1843229941505655
Energy: 1.207112881054427
Energy: 1.6402976378872218
Energy: 1.1502095215836854
Energy: 1.110506418839172
Energy: 1.2609421359347268
Energy: 1.1573668128584742
Energy: 1.2315420667758952
Energy: 1.4411871206170872
Energy: 1.1017797185136136
Energy: 1.1095119003068563
Energy: 1.2345181495360098
Energy: 1.173725593638013
Energy: 1.2507994172754024
Energy: 1.4356541237623492
Energy: 1.2437841554195723
Energy: 1.246381149663955
Energy: 1.2304628807770217
Energy: 1.2566443416913593
Energy: 1.2388531087958912
Energy: 1.2929348868070003
Energy: 1.0842457256868734
Energy: 1.084383623947191
Energy: 1.2367825209246117
Energy: 1.0248767725196406
Energy: 1.0844607800578638
Energy: 1.2352976362463364
Energy: 1.1191802103774116
Energy: 1.0574130483285689
Energy: 1.236415230911732
Energy: 1.0608246019756038
Energy: 1.2190228238295922
Energy: 1.2238569468587985
Energy: 1.1575845507470843
Energy: 1.2178798874619108
Energy: 1.225826857611823
Energy: 1.2558753403856038
Energy: 1.2173915164955276
Energy: 1.232324377290987
Energy: 1.1188752252824434
Energy: 1.1185648380496482
Energy: 1.245480102853683
Energy: 1.111670112112884
Energy: 1.1120837906990295
Energy: 1.3891927808995148
Energy: 1.0281439574895403
Energy: 1.0489880675347565
Energy: 1.099107920229853
Energy: 1.1926915774679114
Energy: 1.2239767795048
Energy: 1.402092139187542
Energy: 1.100282545255218
Energy: 1.226571238941031
Energy: 1.2309638972488526
Energy: 1.1296320496563084
Energy: 1.2329569925121966
Energy: 1.3913400663628113
Energy: 1.0673023057242004
Energy: 1.0547714337117164
Energy: 1.0550923874338047
Energy: 1.0978740081862783
Energy: 1.0633876626212129
Energy: 1.5782234804749378
Energy: 1.1323694071563017
Energy: 1.1437903665718323
Energy: 1.1596664842408673
Energy: 1.1344545588613417
Energy: 1.0630153282392332
Energy: 1.5766106883971003
Energy: 1.1168524079124227
Energy: 1.1169544433362408
Energy: 1.18244064175446
Energy: 1.0890256286806124
Energy: 1.0885549764337705
Energy: 1.6468257899341183
Energy: 1.1191691322612178
Energy: 1.1198787720727363
Energy: 1.0616489270299452
Energy: 1.096699337439357
Energy: 1.0708921180073205
Energy: 1.9008269376211113
Energy: 1.1018742359912863
Energy: 1.0844782645581648
Energy: 1.0284554167047733
Energy: 1.1019020542789864
Energy: 1.1584940567271866

minimum gb energy = 1.0248767725196406 eV
minimum distance =  2.33391033883527 Angstroms
sigma value = 51


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

Energy: 2.045913206446077
Energy: 1.152371019881472
Energy: 1.1069451046090297
Energy: 0.9970292222631764
Energy: 1.15236923715107
Energy: 0.9922862089450949
Energy: 1.5310265101280918
Energy: 1.1200770308879546
Energy: 1.120386081603337
Energy: 1.0218375175299501
Energy: 1.1197345439337631
Energy: 1.1216067454934093
Energy: 1.7025204822187383
Energy: 1.1171779887955267
Energy: 1.1171849252670143
Energy: 1.0623253304223252
Energy: 1.1178995881146654
Energy: 1.1177159432218728
Energy: 1.70127998003022
Energy: 1.1161115061845122
Energy: 1.0745333865854072
Energy: 1.068496850306252
Energy: 1.101813551968516
Energy: 1.0294361736338902
Energy: 1.525604618193649
Energy: 1.1008237694322605
Energy: 1.1019479879458824
Energy: 0.9875058052008068
Energy: 1.1008944260516227
Energy: 0.987007324703876
Energy: 1.4533977932050075
Energy: 0.986567236183426
Energy: 1.057736708480751
Energy: 1.1643533706910114
Energy: 1.1235935001233246
Energy: 1.0577329944869915
Energy: 1.4543118052571906
Energy: 0.9869454054614645
Energy: 0.9861669842373062
Energy: 1.1631778281419354
Energy: 0.9628253615387523
Energy: 1.1077234282877841
Energy: 1.3189692885201019
Energy: 1.1043375493973109
Energy: 1.1034669229062872
Energy: 1.1095184613217248
Energy: 1.1578215351914911
Energy: 1.0570311672424575
Energy: 1.1177721382448782
Energy: 1.1504392219642101
Energy: 1.0924826058720625
Energy: 1.117529526601972
Energy: 1.1600067578961903
Energy: 1.1172275552647313
Energy: 1.122309264694339
Energy: 1.0704173874128036
Energy: 1.070352692864618
Energy: 1.1218456188869306
Energy: 0.9875208329134455
Energy: 1.1201608898579412
Energy: 1.1184122086586787
Energy: 1.0204092984036588
Energy: 1.0417730114691632
Energy: 1.1184492458900215
Energy: 1.021701568602489
Energy: 1.1059386640274254
Energy: 1.2159929120928685
Energy: 1.0997253705277312
Energy: 1.0720053050910436
Energy: 1.1219588855386138
Energy: 0.978744269434928
Energy: 1.1223329247766571
Energy: 1.2134222961251349
Energy: 1.1349179584653246
Energy: 1.1422316759030084
Energy: 1.1402352974651462
Energy: 1.12418772573669
Energy: 1.1418776227120133
Energy: 1.2153078262733144
Energy: 0.9726544901401665
Energy: 0.97492336867875
Energy: 1.0749807274818521
Energy: 0.9759159522221487
Energy: 0.9733697637670741
Energy: 1.5773793751437795
Energy: 1.0753200743638587
Energy: 1.0585099211135878
Energy: 1.0776923416041067
Energy: 1.0758851696186504
Energy: 1.1441986147971768
Energy: 1.5756166361184183
Energy: 1.0753043298321778
Energy: 1.0745651292792697
Energy: 1.1973519664440244
Energy: 1.0757125315247325
Energy: 1.021560872118064
Energy: 1.5253125574118827
Energy: 1.075871618841203
Energy: 1.0749425823452872
Energy: 0.986639294502963
Energy: 1.0752221233412937
Energy: 1.0751730373056683
Energy: 1.824854625673471
Energy: 1.0731714943611155
Energy: 1.0724288750675015
Energy: 1.0133681774432421
Energy: 1.1242153413283018
Energy: 1.0667194691132296

minimum gb energy = 0.9628253615387523 eV
minimum distance =  2.38401006653764 Angstroms
sigma value = 19


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

Energy: 1.7141791056292
Energy: 0.9793219825003132
Energy: 1.1760257690076388
Energy: 1.1778477559102225
Energy: 0.9796510968420119
Energy: 1.1768044910508744
Energy: 1.3299970044561786
Energy: 0.9797782690189617
Energy: 0.9798884000119681
Energy: 1.074787399234388
Energy: 0.9794550354341276
Energy: 0.9800502471689814
Energy: 1.792783032029651
Energy: 0.9795587981247098
Energy: 0.9794596610375756
Energy: 1.057002323817033
Energy: 0.979269312942058
Energy: 0.9807875842358235
Energy: 1.3304945701217907
Energy: 0.9797855861684897
Energy: 0.9793461771737008
Energy: 1.0811445194793259
Energy: 1.0882788244844814
Energy: 0.9799855985943564
Energy: 1.3311979620337404
Energy: 0.9795226677775796
Energy: 0.9799155123064637
Energy: 0.9647926480128285
Energy: 0.9809352698726752
Energy: 1.0126829252334415
Energy: 1.3320744961582465
Energy: 0.9506677553106286
Energy: 1.0121637896285671
Energy: 1.0128714837243253
Energy: 0.950318768940353
Energy: 1.0120837600963548
Energy: 1.3245699258183168
Energy: 1.0128017230705784
Energy: 1.0131585518883128
Energy: 0.9793798560792711
Energy: 0.96348796295465
Energy: 1.0119018935032533
Energy: 1.0870963139989136
Energy: 0.9510534175308435
Energy: 0.9509311084239488
Energy: 1.0879038473159157
Energy: 0.9501981290823275
Energy: 0.9509228134608899
Energy: 0.9795895887454029
Energy: 0.9930642536925354
Energy: 0.9928963729822216
Energy: 0.9794769449876561
Energy: 0.9507262283358809
Energy: 0.9509914160155764
Energy: 0.9794937200037341
Energy: 0.9804647366491223
Energy: 0.9800762761459818
Energy: 0.9794287167178166
Energy: 1.013945233138274
Energy: 0.9801377053828702
Energy: 0.9761581887435136
Energy: 1.083130121332343
Energy: 1.0812101816874986
Energy: 0.9764810930685514
Energy: 1.0812843865120538
Energy: 0.9801590521087252
Energy: 1.3317008157431673
Energy: 1.0112024887894255
Energy: 1.0110215071242936
Energy: 0.9792037917792554
Energy: 1.0117427061669158
Energy: 0.9795105556167448
Energy: 0.9494239412002906
Energy: 1.011385923829689
Energy: 1.012221863711265
Energy: 0.953243316155372
Energy: 0.9797385230245854
Energy: 1.0957671566784852
Energy: 1.3289434614421893
Energy: 1.0963735530851428
Energy: 1.0974687817544921
Energy: 0.9793544090266014
Energy: 1.094689469856954
Energy: 1.0981156906430751
Energy: 1.6823464798914884
Energy: 0.9798043977837659
Energy: 0.980024772430782
Energy: 0.9508478368474578
Energy: 0.9794998898606502
Energy: 0.9535737587636776
Energy: 1.7166893684277411
Energy: 0.9813877723841709
Energy: 0.9513557796654852
Energy: 1.177891099944746
Energy: 0.9799095544932582
Energy: 0.950742575321913
Energy: 1.329970776868849
Energy: 0.9793257063903926
Energy: 0.979706349530201
Energy: 0.9633934973620819
Energy: 0.9803685316091656
Energy: 0.9796937293294197
Energy: 1.3297744518439136
Energy: 0.9788055953045428
Energy: 0.9792788400095982
Energy: 1.081289089124988
Energy: 0.9784360365019678
Energy: 0.9795301611885282
Energy: 1.32658335355353
Energy: 0.9796221628263769
Energy: 0.9806855546919474
Energy: 0.9955069985220043
Energy: 0.979411938509729
Energy: 1.0115763813674536
Energy: 1.330418484874482
Energy: 0.951456548871947
Energy: 1.0120494882465034
Energy: 0.9793319652171023
Energy: 0.9501771104259552
Energy: 1.0125040611250677
Energy: 1.341191577844106
Energy: 0.9803472585767078
Energy: 1.0121467061749245
Energy: 1.0945714159772066
Energy: 0.9798262671489497
Energy: 1.0962389533894756
Energy: 1.3305884278040179
Energy: 1.0128879758965863
Energy: 1.0114154693875108
Energy: 0.9814779332942538
Energy: 0.9643533479822526
Energy: 0.9814695389959233
Energy: 1.0738893075689107
Energy: 1.176195090848139
Energy: 1.1764085613055033
Energy: 1.0761921196717645
Energy: 1.17650165603818
Energy: 1.1758077673079785
Energy: 0.9791531968274496
Energy: 1.0121405141576525
Energy: 0.9808883430104804
Energy: 0.9795858300048444
Energy: 0.9511449846561325
Energy: 0.9796666157114038
Energy: 0.9789842255683368
Energy: 0.9797981390318744
Energy: 0.9805721468485763
Energy: 0.9795786801173468
Energy: 1.0568323194578841
Energy: 0.980311167923431
Energy: 1.088807865844094
Energy: 1.0834503174396357
Energy: 1.0833731550720413
Energy: 1.0889412311173012
Energy: 1.0812958496952216
Energy: 0.9795468674591353
Energy: 1.3307365165376421
Energy: 1.0114927354477798
Energy: 1.0113092443455303
Energy: 0.9795685818625831
Energy: 0.9635801942384951
Energy: 0.9816865808236617
Energy: 0.9499907373948844
Energy: 1.0117919669577735
Energy: 1.011982357091234
Energy: 0.9502587637082368
Energy: 1.0114562048005262
Energy: 1.0122073988578224
Energy: 1.0863260342654255
Energy: 1.0115328183511034
Energy: 1.0123933276963055
Energy: 0.9794190178410738
Energy: 0.9801510609016905
Energy: 1.0115323216175733
Energy: 1.7460629013663904
Energy: 0.9800712365480926
Energy: 0.9509764442875522
Energy: 0.9503137184070402
Energy: 1.086098800884382
Energy: 0.9511568557198137

minimum gb energy = 0.9494239412002906 eV
minimum distance =  2.3945481972244 Angstroms
sigma value = 27


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

Energy: 1.3628264803369703
Energy: 0.9880798807231158
Energy: 1.1012232881027733
Energy: 1.0771699776688413
Energy: 0.9883482220619091
Energy: 1.1015965418526972
Energy: 1.2297951310371456
Energy: 1.0196170666191504
Energy: 1.019531395324218
Energy: 0.8994628124264054
Energy: 1.019422734659958
Energy: 1.019888860010817
Energy: 1.1492405372722738
Energy: 1.0203129257256491
Energy: 1.020503972011905
Energy: 0.958991903323859
Energy: 1.0212906047974033
Energy: 1.0205597251850278
Energy: 1.1512107919480739
Energy: 0.9597306755378258
Energy: 0.9600789008801338
Energy: 0.8365998514199777
Energy: 1.0967357776799063
Energy: 0.8352128165161948
Energy: 1.2367821154282286
Energy: 0.9819436429997612
Energy: 0.8358091086243191
Energy: 1.0720775763508508
Energy: 1.1023360287845554
Energy: 0.8355251384400898
Energy: 1.0211980875995426
Energy: 0.8890893523252233
Energy: 0.7965143370358893
Energy: 1.0214391673534524
Energy: 0.7942125394434427
Energy: 0.8595846537220275
Energy: 1.0223520375284423
Energy: 0.8991598154078487
Energy: 0.902623232002777
Energy: 1.0212860711638645
Energy: 0.960017894866608
Energy: 1.0197674935260683
Energy: 1.0206971509144627
Energy: 0.859032631994326
Energy: 0.8897213197841357
Energy: 1.0204429580529915
Energy: 0.9860763176211956
Energy: 0.9150908822498646
Energy: 1.146623454215764
Energy: 0.9516590891860726
Energy: 0.8983384503370596
Energy: 1.0191936848342937
Energy: 0.9535597929227209
Energy: 0.8986243718813812
Energy: 0.9226346566310838
Energy: 0.9002605777104535
Energy: 0.9002745123379519
Energy: 0.9269371173455387
Energy: 1.0206702959552
Energy: 0.8999881694914322
Energy: 1.1500049122134088
Energy: 1.0179174176540362
Energy: 1.0202204058236797
Energy: 1.0219547317318116
Energy: 1.0195886771517744
Energy: 0.9255240334139928
Energy: 1.002368859883359
Energy: 1.0202472953164006
Energy: 1.0203213521777783
Energy: 0.9961655352159255
Energy: 1.0199174745719595
Energy: 0.8995763446196652

minimum gb energy = 0.7942125394434427 eV
minimum distance =  2.39405590454526 Angstroms
sigma value = 9


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

Energy: 2.481319177386834
Energy: 0.8056042569430579
Energy: 0.7980557096914629
Energy: 0.7681829609731071
Energy: 0.8055622438908953
Energy: 0.7693959988849376
Energy: 0.9640420574647539
Energy: 0.8727434278850624
Energy: 0.8724826240897776
Energy: 0.852668657770269
Energy: 0.8723934279614088
Energy: 0.8549634919310769
Energy: 0.928983864687001
Energy: 0.8722773651154985
Energy: 0.8712168203710404
Energy: 0.9367707164943507
Energy: 0.875023298946168
Energy: 0.8244712382274058
Energy: 0.9339000821556227
Energy: 0.8076183339293601
Energy: 0.8071984135952538
Energy: 0.920926978992814
Energy: 0.9947787491027743
Energy: 0.8586397720053905
Energy: 0.9693154538055724
Energy: 0.8304166387719066
Energy: 0.767605760546906
Energy: 0.906671397502411
Energy: 0.8305622898498871
Energy: 0.8246655756097963
Energy: 0.8925817193136137
Energy: 0.781750205188575
Energy: 0.8049397701160853
Energy: 0.8928658214521904
Energy: 0.8042916575285622
Energy: 0.8281049018746991
Energy: 0.9202944481337666
Energy: 0.8058729441064302
Energy: 0.9362597567981896
Energy: 0.9224680197423577
Energy: 0.8442111075870677
Energy: 0.9193205262373105
Energy: 0.8835197106372539
Energy: 0.8506599186697692
Energy: 0.8341260341345273
Energy: 0.8834714503141676
Energy: 0.8410087282503863
Energy: 0.8326625317927788
Energy: 0.8855234199180283
Energy: 0.8749051542719979
Energy: 0.8878079263789924
Energy: 0.8535343351359297
Energy: 0.8802264482700263
Energy: 0.8272763241036596
Energy: 0.8063286169546084
Energy: 0.8262190608023469
Energy: 0.8259928969858953
Energy: 0.9350097236058059
Energy: 0.8781153111146995
Energy: 0.8307833617473234
Energy: 0.7994107447247397
Energy: 0.9248357060105261
Energy: 0.9279754953026066
Energy: 0.8695508609669289
Energy: 0.9254054000134658
Energy: 0.8854140027318392
Energy: 1.050106222606469
Energy: 0.9195969110518906
Energy: 0.9194563771336997
Energy: 0.8303006897467874
Energy: 0.9197472820131961
Energy: 0.9196954105481134
Energy: 1.3948751644983421
Energy: 0.8835487495342159
Energy: 0.8060959691325119
Energy: 0.8560937353527989
Energy: 0.8760283148861712
Energy: 0.9635548438037648
Energy: 1.0695000466150164
Energy: 0.9204301061403348
Energy: 0.8762751270863439
Energy: 0.8410038140041682
Energy: 0.9205477298601056
Energy: 0.8101624779325256
Energy: 0.8731059038101716
Energy: 0.8939837166476652
Energy: 0.8979981106535257
Energy: 0.8734456358652404
Energy: 0.8951344209608586
Energy: 0.956406062685771
Energy: 0.8738397019372728
Energy: 0.7967943724504997
Energy: 0.8157622932175859
Energy: 0.8757883761019766
Energy: 0.9189681685446341
Energy: 0.872485210667845
Energy: 0.8711159305066274
Energy: 0.8046359746200046
Energy: 0.8020924730526059
Energy: 0.8711769990442295
Energy: 0.8023299763047564
Energy: 0.871570896434873
Energy: 0.9314700717771129
Energy: 0.8301562125970866
Energy: 0.9084032903989101
Energy: 0.8704900247177583
Energy: 0.8196614459097918
Energy: 0.8711946008837731
Energy: 0.9300435827288883
Energy: 0.8241708295321499
Energy: 0.7952452911797122
Energy: 0.8738051049505484
Energy: 0.8727250981910664
Energy: 0.8134394393939812
Energy: 0.9317228704784399
Energy: 0.8570695229156609
Energy: 0.8433551392497979
Energy: 0.8517814221811776
Energy: 0.8541090321543258
Energy: 0.8231837601541172
Energy: 0.9275997679532141
Energy: 0.8738682564210909
Energy: 0.8703517154275636
Energy: 0.8725179607956737
Energy: 0.8729406106729336
Energy: 0.8148562143151149
Energy: 0.9988830515356611
Energy: 0.8710338210847977
Energy: 0.9259507216257131
Energy: 0.8328562367065773
Energy: 0.8712691411689382
Energy: 0.8202643420894457
Energy: 1.006945380881851
Energy: 0.8711152285096131
Energy: 0.8713946650436728
Energy: 0.8275812299685646
Energy: 0.8711745924945191
Energy: 0.8752292131921307
Energy: 0.9279106833790892
Energy: 0.8746462797083996
Energy: 0.8733158886810973
Energy: 0.8765277126603278
Energy: 0.8730330632674412
Energy: 0.8411451430103996
Energy: 1.4227756678062569
Energy: 0.8742935445028136
Energy: 0.8107828441092046
Energy: 0.9176840631284174
Energy: 0.8729187168980355
Energy: 0.856986416809231
Energy: 0.9295209814401058
Energy: 0.8073587908624714
Energy: 0.8051640154751669
Energy: 0.8789052940375519
Energy: 0.8349513375332129
Energy: 0.8237742186111724
Energy: 0.8823475671347958
Energy: 1.191928453486659
Energy: 1.191684699666943
Energy: 0.8823020571905079
Energy: 1.1921393888443896
Energy: 0.8378482534188733
Energy: 0.9213889471893619
Energy: 0.8295385864369128
Energy: 0.8957044536335363
Energy: 0.9200624353505905
Energy: 0.8297263674131059
Energy: 0.9198021498292708
Energy: 0.9190127978415933
Energy: 0.8270001483294676
Energy: 0.8888928687603613
Energy: 0.9188976688446664
Energy: 0.8802238543716766
Energy: 0.9274575552057115
Energy: 0.8567871849010787
Energy: 0.8456149759641562
Energy: 0.8345887047789087
Energy: 0.8563394500493422
Energy: 0.8486756345923325
Energy: 0.8269262981861534
Energy: 0.7995829986054178
Energy: 0.8746569943734698
Energy: 0.8273294788365382
Energy: 0.9117070961623585
Energy: 0.8943843664304397
Energy: 0.7949547447100942
Energy: 0.8039225057968296
Energy: 0.884480263344529
Energy: 0.885173928546468
Energy: 0.8082364969931338
Energy: 0.884625599634349
Energy: 0.8310197604078818
Energy: 1.0696394838287244
Energy: 0.9188507940350285
Energy: 0.9188910784285927
Energy: 0.8424868640809722
Energy: 0.9235177970742987
Energy: 0.9197031102065915
Energy: 0.9019325375848218
Energy: 0.8941672770857259
Energy: 0.8945966845978081
Energy: 0.876207945336017
Energy: 0.8948949810148042
Energy: 0.8231635186804798
Energy: 0.9137808901751138
Energy: 0.9199573500024529
Energy: 0.8744027480204177
Energy: 0.8760396892615201
Energy: 0.9187439856678922
Energy: 0.8090537350546937
Energy: 0.8764728054199779
Energy: 0.8532191036579091
Energy: 0.8589049522106642
Energy: 0.8415306533564185
Energy: 0.8537203508867599
Energy: 0.809741817260984
Energy: 0.8739315568918944
Energy: 0.846125151290931
Energy: 0.7947926268948114
Energy: 0.8745009723678665
Energy: 0.9289332654245601
Energy: 0.8698198584615154
Energy: 0.8720728118898828
Energy: 0.8525075430406404
Energy: 0.8346825314943234
Energy: 0.8720260261471358
Energy: 0.8570901772185495
Energy: 0.872479280096028
Energy: 0.8702723187821139
Energy: 1.0075252351301778
Energy: 1.0450474302606843
Energy: 0.8705236760301086
Energy: 1.0377074804568382
Energy: 0.8520465342616182
Energy: 0.9275824497204923
Energy: 0.8264705073252622
Energy: 0.8356719298474296
Energy: 0.8717143960950264
Energy: 0.8591534060625834
Energy: 0.8137395558162238
Energy: 0.9285981382301456
Energy: 0.8392048998728153
Energy: 0.8423925655016425
Energy: 0.8534907881309829
Energy: 0.8746321683084529
Energy: 0.8379269554834583
Energy: 0.9289964153047665
Energy: 0.8389764714804777
Energy: 0.8442323715453298
Energy: 0.8736469494408714
Energy: 0.8549783261599896
Energy: 0.8428283880735746
Energy: 1.0107237129217919
Energy: 0.8712938239796303
Energy: 0.8720998549444401
Energy: 0.8367233772466239
Energy: 0.8720369081904032
Energy: 0.8752389649400677

minimum gb energy = 0.767605760546906 eV
minimum distance =  2.35244783651766 Angstroms
sigma value = 57


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

Energy: 0.4411427744100222
Energy: 0.4614055672363506
Energy: 0.4512395858924413
Energy: 0.4447259692948867
Energy: 0.4617455917283184
Energy: 0.44476103499398584
Energy: 0.5141564387660751
Energy: 0.48432404047755656
Energy: 0.46194470680891675
Energy: 0.47994552718655703
Energy: 0.4802656404236375
Energy: 0.49437775623850844
Energy: 0.5147812616445212
Energy: 0.4784343410034821
Energy: 0.4785573906753155
Energy: 0.48655897282514965
Energy: 0.47887350579116783
Energy: 0.49903985510269344
Energy: 0.5149868269478773
Energy: 0.4782895989258544
Energy: 0.47766316571344514
Energy: 0.4867154706446853
Energy: 0.5215026931035569
Energy: 0.5216375007204235
Energy: 0.5216724622780934
Energy: 0.4436242784143772
Energy: 0.47384173675557373
Energy: 0.5227466650065687
Energy: 0.4429094804370797
Energy: 0.45695551089439784
Energy: 0.4766637480081812
Energy: 0.4433577686666842
Energy: 0.4464713046484588
Energy: 0.47688165511724656
Energy: 0.44680568888541045
Energy: 0.4704726127495414
Energy: 0.47817031133780397
Energy: 0.46226987198832653
Energy: 0.4626697594470504
Energy: 0.47953871909961354
Energy: 0.48423951724585507
Energy: 0.49681330842892063
Energy: 0.4785693881960284
Energy: 0.48375107327246664
Energy: 0.5209016712536177
Energy: 0.4784575141847267
Energy: 0.4620213554504099
Energy: 0.4781704230520459
Energy: 0.521866124119339
Energy: 0.4866767728492326
Energy: 0.4930380736518346
Energy: 0.5233517967033744
Energy: 0.48758502945261256
Energy: 0.48485855272468276
Energy: 0.445904191181193
Energy: 0.4843877369692268
Energy: 0.4722932629708443
Energy: 0.44762490122853654
Energy: 0.5224105866160964
Energy: 0.47066139777744487
Energy: 0.44272707655595267
Energy: 0.46191430861121435
Energy: 0.4582814917841148
Energy: 0.44314702526148936
Energy: 0.48367721794436463
Energy: 0.47216694194260467
Energy: 0.522415994152634
Energy: 0.4841478004305716
Energy: 0.48345101258206163
Energy: 0.5217991597217897
Energy: 0.4850939409880257
Energy: 0.46249253239843313
Energy: 0.5128362117752197
Energy: 0.5202273016943181
Energy: 0.5201496868944112
Energy: 0.48400110596089996
Energy: 0.5202306481501243
Energy: 0.5204479148638931
Energy: 0.5230884770006812
Energy: 0.4850960218503449
Energy: 0.4848314423669382
Energy: 0.523391871125265
Energy: 0.4866444478767716
Energy: 0.4918733964999546
Energy: 0.5213484051111826
Energy: 0.4429323145409911
Energy: 0.4451198691099999
Energy: 0.5214967101130253
Energy: 0.44765315735329664
Energy: 0.44552071178392116
Energy: 0.4792676658345113
Energy: 0.4945242692585053
Energy: 0.500013450680281
Energy: 0.4860240716126693
Energy: 0.44220820226774804
Energy: 0.4939421245353664
Energy: 0.4782922536002993
Energy: 0.4847473848923428
Energy: 0.4975529219042054
Energy: 0.4785418760952705
Energy: 0.48676048950651923
Energy: 0.47784828802869805
Energy: 0.5215677263963205
Energy: 0.4843378831995396
Energy: 0.4856023532016354
Energy: 0.5210630144145763
Energy: 0.4611404184309627
Energy: 0.4783799810011654
Energy: 0.4428347433141321
Energy: 0.4577538101508043
Energy: 0.45763503619724377
Energy: 0.44261954342527127
Energy: 0.5242594659870579
Energy: 0.4850270758529284

minimum gb energy = 0.4411427744100222 eV
minimum distance =  2.41640274538618 Angstroms
sigma value = 11


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

Energy: 1.8028693499311672
Energy: 1.2085751766386286
Energy: 0.954597107527288
Energy: 0.6674474978886172
Energy: 1.208547463111132
Energy: 0.737212580620814
Energy: 0.670398610309567
Energy: 0.6697076210327304
Energy: 0.6740970034165791
Energy: 0.6801355227074214
Energy: 0.6678779522212764
Energy: 0.6694578291412546
Energy: 0.6673066117995934
Energy: 0.6861085243938848
Energy: 0.6839267001153109
Energy: 0.6681223381615805
Energy: 0.6741837354969277
Energy: 0.6812706131782771
Energy: 0.6679491683554591
Energy: 0.6630132021423231
Energy: 0.6638567811618631
Energy: 0.6685704400046705
Energy: 0.6655798381167501
Energy: 0.6867247188706225
Energy: 0.6703074922394258
Energy: 0.8398149991307088
Energy: 0.7874938878961799
Energy: 0.6707535356026294
Energy: 0.6714719996924108
Energy: 0.6721303302855932
Energy: 0.7248558458077973
Energy: 0.698335550306509
Energy: 0.6862176719347027
Energy: 0.671228298666547
Energy: 0.6941322246500631
Energy: 0.8538487065098392
Energy: 0.716228540552129
Energy: 0.6831964556506412
Energy: 0.6971423415403689
Energy: 0.6647447624655897
Energy: 0.6939546627603664
Energy: 0.6655799135082551
Energy: 0.6968539431309309
Energy: 0.8199469496575958
Energy: 0.8182214830409806
Energy: 0.6973639679190898
Energy: 0.8214913620503688
Energy: 0.733671045052362
Energy: 0.7187797004512513
Energy: 0.680369761889549
Energy: 0.6654845026221143
Energy: 0.6808405147309096
Energy: 0.6790646008851436
Energy: 0.6803787768130268
Energy: 1.4897345902387484
Energy: 0.6743755707541788
Energy: 0.8169161135844176
Energy: 0.9215789944741866
Energy: 0.674656263502267
Energy: 0.6914225062170489
Energy: 0.7477180528471558
Energy: 0.7986734757490903
Energy: 0.7968494770527915
Energy: 0.6879808521501285
Energy: 0.6852970883531078
Energy: 0.7900805030052489
Energy: 0.8738430067861663
Energy: 0.6453126914827503
Energy: 0.6811002197246614
Energy: 1.126989928862168
Energy: 0.641829312641672
Energy: 0.6879103747311079
Energy: 1.0360056838412706
Energy: 0.6481279454757622
Energy: 0.7129885697121061
Energy: 1.037520540646756
Energy: 0.6436553058385053
Energy: 0.6932575257208177
Energy: 1.036425305801132
Energy: 0.8164727341755018
Energy: 0.818462690858518
Energy: 1.0362854617472044
Energy: 0.7907739272439274
Energy: 0.8101406470336233
Energy: 1.136144422202564
Energy: 0.7030670935741676
Energy: 0.703284843584743
Energy: 1.1370393019260412
Energy: 0.6841049086862587
Energy: 1.005517393296414
Energy: 1.0772887613026427
Energy: 0.711318595458968
Energy: 0.8310872378009279
Energy: 1.0357203287936145
Energy: 0.6922446776741743
Energy: 0.8192999997840601
Energy: 1.1886888272003988
Energy: 1.1708636590249073
Energy: 1.0821256337456742
Energy: 1.1414103793230703
Energy: 1.4005773242787003
Energy: 0.6589875284453068
Energy: 1.4223359654505499
Energy: 0.8942799040002639
Energy: 0.787667325367002
Energy: 0.6971333484693615
Energy: 0.8722985088819191
Energy: 0.7916027899258491
Energy: 1.0847209344991298
Energy: 0.8791014304537365
Energy: 0.6842290459594698
Energy: 0.6712415017984295
Energy: 0.8758819196864928
Energy: 0.6659276399332091
Energy: 0.941342069402047
Energy: 1.1266208567984277
Energy: 1.0342669502494701
Energy: 0.9188433932618116
Energy: 1.2428108122651986
Energy: 0.6896361587114747
Energy: 1.0784294817554707
Energy: 0.7176326885929153
Energy: 0.7910062162812511
Energy: 0.6805516299150743
Energy: 0.8072780975088965
Energy: 0.790015248319649
Energy: 1.1587147743687245
Energy: 0.716444471351598
Energy: 0.709936981110996
Energy: 1.1079896189221257
Energy: 0.7145522033731329
Energy: 0.8104763877852371
Energy: 0.8306651058066707
Energy: 0.7232940922882742
Energy: 0.6825588329435309
Energy: 0.6715059633013716
Energy: 0.681518446443794
Energy: 0.6918205591725878
Energy: 0.8205648762472724
Energy: 0.6835499297196215
Energy: 0.6832047880525105
Energy: 0.8184005891820276
Energy: 0.6695692531700806
Energy: 0.6735378077144555
Energy: 0.8220449812780662
Energy: 0.6801133557841702
Energy: 0.6848657981528571
Energy: 0.8653725732048662
Energy: 0.6681571269563166
Energy: 0.6847204992758594
Energy: 0.7379500449050128
Energy: 0.6847053480813702
Energy: 0.7075239917805136
Energy: 0.6771086680635874
Energy: 0.6719460426011515
Energy: 0.6446863876364777

minimum gb energy = 0.641829312641672 eV
minimum distance =  2.39116309275134 Angstroms
sigma value = 41


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

Energy: 1.83118112300879
Energy: 0.8523189358989101
Energy: 0.9482179144024692
Energy: 1.3546888513352053
Energy: 0.8525262505293364
Energy: 0.9790408035035809
Energy: 0.891478938517207
Energy: 0.7045947055904478
Energy: 0.7435849157439367
Energy: 0.7595211060345484
Energy: 0.7050411712148899
Energy: 0.7519863019458987
Energy: 0.8952474542895815
Energy: 0.9133645805881556
Energy: 0.7077454195949249
Energy: 0.9317011556945672
Energy: 0.7069751223751144
Energy: 0.8909266404521627
Energy: 0.8948908595031921
Energy: 0.734476016631799
Energy: 0.9274312561272019
Energy: 0.9335678492973645
Energy: 0.7060080523415313
Energy: 0.9154905502804607
Energy: 0.8921681454146829
Energy: 0.8183796629570375
Energy: 0.8514157828590442
Energy: 0.9294478336582096
Energy: 0.8194013723999172
Energy: 0.7385368872360318
Energy: 1.112597182721696
Energy: 0.8286056992556659
Energy: 0.8934762800345128
Energy: 0.9402575582794828
Energy: 0.8253080949325547
Energy: 0.9271059158917558
Energy: 1.0026053047868109
Energy: 0.7184692126401634
Energy: 0.7182984607885554
Energy: 0.9057398539832557
Energy: 0.727541814468026
Energy: 0.9316951766696351
Energy: 0.8635004239392667
Energy: 0.9348881383086026
Energy: 0.9705332066640477
Energy: 0.8642121326112359
Energy: 0.9339359250823668
Energy: 0.7934285540590308
Energy: 1.1616513858721735
Energy: 0.9663756267077425
Energy: 0.7194121717122286
Energy: 0.766386900839727
Energy: 1.0385567343947222
Energy: 0.9311320849783145
Energy: 1.2506474084862713
Energy: 0.9914052124804439
Energy: 1.0115984089991548
Energy: 1.2050959369887235
Energy: 0.9823467871792882
Energy: 0.9843129834021526
Energy: 0.9005353149954817
Energy: 0.9954920186251415
Energy: 0.9578491007737902
Energy: 0.8245120419892819
Energy: 0.9895328454191368
Energy: 0.937369724302033
Energy: 1.467169834060933
Energy: 0.798900974180824
Energy: 0.8871734440482644
Energy: 1.0273402610485347
Energy: 0.7948848509167195
Energy: 0.9826448416926921
Energy: 0.9285209646394819
Energy: 0.7997115188748894
Energy: 0.9543736760077103
Energy: 0.9283631482462482
Energy: 0.8000407843740984
Energy: 0.9525389644526112
Energy: 1.1218650847330986
Energy: 0.9362641868895664
Energy: 0.96386754033638
Energy: 1.1224796653018372
Energy: 0.9256890650972117
Energy: 0.9665607544752777
Energy: 0.9628914302234153
Energy: 1.0148228830756267
Energy: 1.0151468083496122
Energy: 0.9630045415436391
Energy: 1.0149548519149114
Energy: 0.9649555101897851
Energy: 0.9209326188688092
Energy: 0.9131548422394953
Energy: 0.9192733217067408
Energy: 0.9533652284236875
Energy: 0.9125719623660178
Energy: 0.9244133800279002
Energy: 1.5263385786858488
Energy: 0.917634097137151
Energy: 0.7351566371283378
Energy: 1.427766733041419
Energy: 0.9157032269694175
Energy: 0.765457794549269
Energy: 0.7509903148043189
Energy: 0.891675890122466
Energy: 0.917557016257151
Energy: 0.7156767001416072
Energy: 0.9130748097595954
Energy: 0.7162005267760737
Energy: 0.9247933274628362
Energy: 0.9150167456704946
Energy: 0.9149659037721443
Energy: 0.9240733591835064
Energy: 0.9155065793879288
Energy: 0.9225319195100448
Energy: 0.9201358640101875
Energy: 0.9275288518138127
Energy: 0.9138845887123415
Energy: 0.9201576386798684
Energy: 0.9165279483150331
Energy: 0.9406825485127697
Energy: 0.9177223177995654
Energy: 0.8958247359531513
Energy: 0.9293723342005469
Energy: 0.9177231885258962
Energy: 0.9110534540531497
Energy: 0.9282346819405463
Energy: 1.2829148194506286
Energy: 0.9188267139084617
Energy: 0.9303698252731373
Energy: 1.2612165535272921
Energy: 1.1426044818704246
Energy: 0.9533304570831641
Energy: 1.1619378580099977
Energy: 0.9942664509517118
Energy: 0.9486371955837622
Energy: 0.9300785121328006
Energy: 1.010884563772329
Energy: 0.9530466948209998
Energy: 0.8631736747343352
Energy: 1.0064565957864466
Energy: 0.9926666869138228
Energy: 0.8635951510362266
Energy: 1.0280693248178312
Energy: 0.8820718429862787
Energy: 1.1626246239520157
Energy: 0.9847701712516923
Energy: 0.9777632809690479
Energy: 0.9360083826068425
Energy: 0.9844606253987522
Energy: 0.9142954538738025
Energy: 1.2492770976953655
Energy: 0.9175609513268377
Energy: 0.7314957284914052
Energy: 0.827641783692153
Energy: 0.9698219693232079
Energy: 0.954538091999372
Energy: 1.2501401853576315
Energy: 0.8480899548061583
Energy: 0.7312514562671297
Energy: 1.2047830302541982
Energy: 0.8598819101297606
Energy: 0.7524298396781476
Energy: 1.164084724760911
Energy: 0.7969039157680143
Energy: 0.7402024655519872
Energy: 0.9263909207650894
Energy: 0.7932482084996455
Energy: 0.9323593417483018
Energy: 0.9037456575893895
Energy: 0.8189305446348562
Energy: 0.9519005038862581
Energy: 0.9652037451845864
Energy: 0.7997235278123609
Energy: 0.9526342737767266
Energy: 1.0946986034246153
Energy: 0.7431551399959802
Energy: 0.7426939510732066
Energy: 1.1325855670031755
Energy: 0.7344347349959963
Energy: 0.8428243378896668
Energy: 0.9039680218374195
Energy: 0.9400160301427195
Energy: 0.8025385869478672
Energy: 0.9417890452520411
Energy: 0.911775688067018
Energy: 0.9157691919778118
Energy: 0.8933186643809581
Energy: 0.9218357500320358
Energy: 0.7341224386312456
Energy: 0.758409218261055
Energy: 0.7057450625337106
Energy: 0.9226214798955755
Energy: 1.6633460721182054
Energy: 0.720037574399874
Energy: 0.7370755192396458
Energy: 1.0698956874353753
Energy: 0.706028908998114
Energy: 0.8402292284447488

minimum gb energy = 0.7045947055904478 eV
minimum distance =  2.33723203474042 Angstroms
sigma value = 33


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

Energy: 0.8672937815041725
Energy: 0.8605723302405933
Energy: 0.9244620479789949
Energy: 0.8681509843346005
Energy: 0.8583364478623998
Energy: 0.9269831494626575
Energy: 0.7874890702751569
Energy: 0.7947963885368825
Energy: 0.7619611169681905
Energy: 0.806638035888572
Energy: 0.7893374889741025
Energy: 0.7625809224810224
Energy: 0.7910563523979616
Energy: 0.7688608704551497
Energy: 0.7672147501333928
Energy: 0.7913067179162374
Energy: 0.7904145292091908
Energy: 0.762888521493461
Energy: 0.800644109834281
Energy: 0.7972571598804369
Energy: 0.770504938703151
Energy: 0.8014525855438828
Energy: 0.7991383551761662
Energy: 0.7708844068580949
Energy: 0.7876196081599475
Energy: 0.7928097913159114
Energy: 0.7466963470144821
Energy: 0.7887004458518547
Energy: 0.7939710628779024
Energy: 0.761725331630962
Energy: 1.2785430823759674
Energy: 0.8702475561152038
Energy: 0.799699712697638
Energy: 0.85656966569408
Energy: 1.2934254398945864
Energy: 0.8026514764532451
Energy: 0.8391705349011802
Energy: 0.7433527308358868
Energy: 0.7674101347971606
Energy: 0.792005080578398
Energy: 0.8171775179505318
Energy: 0.7656315934761551
Energy: 0.8326778914229872
Energy: 0.8098559307745825
Energy: 0.7428901065924758
Energy: 0.8330955935500998
Energy: 0.8080155312284428
Energy: 0.7405006153308359
Energy: 0.8364126603434724
Energy: 0.7442366211461794
Energy: 0.7677325980490278
Energy: 0.8560558613769891
Energy: 0.7414746978581093
Energy: 0.7697659325231953
Energy: 1.3864095095634925
Energy: 0.8090460854798748
Energy: 0.8096357595266236
Energy: 0.7936347789121775
Energy: 0.8081631969404488
Energy: 0.8095016617114114
Energy: 0.8939091465861424
Energy: 0.7678797447767892
Energy: 0.8255569915304861
Energy: 0.7998579054406076
Energy: 0.742947101497609
Energy: 0.7689312310421662
Energy: 1.2769258405303145
Energy: 0.7680880906147304
Energy: 0.74505060853673
Energy: 0.7890192578074364
Energy: 0.7482336239275479
Energy: 0.7488095440790065
Energy: 0.8580339487566361
Energy: 0.7402444057149651
Energy: 0.7384085945319285
Energy: 0.8579923453380721
Energy: 0.7531132277539295
Energy: 0.8645069056429975
Energy: 0.7932057315369746
Energy: 0.8209943755170328
Energy: 0.8216719323228014
Energy: 0.7945121445134954
Energy: 0.8240842884912296
Energy: 0.7633812340501837
Energy: 0.7564897143278486
Energy: 0.7907866399490817
Energy: 0.7640338560644842
Energy: 0.791152776284151
Energy: 0.7910315847483598
Energy: 0.76274563026505
Energy: 0.7870155921573716
Energy: 0.7912695877074023
Energy: 0.7625959020669676
Energy: 0.8084845806483586
Energy: 0.7916060872684249
Energy: 0.7641758327239611
Energy: 1.3755983937177079
Energy: 0.8565511643399059
Energy: 0.7400209031433325
Energy: 1.2968792339507407
Energy: 0.8569038392070153
Energy: 0.7995755952072964
Energy: 0.884469685251931
Energy: 0.8663716632695143
Energy: 0.7434929494362146
Energy: 0.7881397235120221
Energy: 0.8653651777109037
Energy: 0.7457482467274885
Energy: 0.7985938217051336
Energy: 0.8644380271040983
Energy: 0.742215637501134
Energy: 0.8082840276965839
Energy: 0.8322019625065487
Energy: 0.7638915591169768
Energy: 0.7490860572922101
Energy: 0.8669792805346916
Energy: 0.7407213431642772
Energy: 0.7494527331099315
Energy: 0.832114406625705
Energy: 0.76736765816811
Energy: 0.7413177684035912
Energy: 0.8141195112213448
Energy: 0.7458751054194042
Energy: 0.7422934609135116
Energy: 0.8770249579233397
Energy: 0.7681683049960547
Energy: 0.844367897405657
Energy: 0.8080591050545606
Energy: 0.8093324018043239
Energy: 0.8459567712279109
Energy: 0.7926180981860205
Energy: 1.2334054404005814
Energy: 0.7872683985902054
Energy: 0.8155774519297108
Energy: 0.7633952580285206
Energy: 0.7662212275421563
Energy: 0.7903118740649393
Energy: 0.7442600954080083
Energy: 0.8255820332662313
Energy: 0.8835981579210083
Energy: 0.8653582458586384
Energy: 1.7114401742904704
Energy: 0.8844125427093951
Energy: 0.8646133534953028
Energy: 0.8946257241621981
Energy: 0.7897695519259633
Energy: 0.7861725154450977
Energy: 0.7718789922537059
Energy: 0.7896284704861725
Energy: 0.7618676517529822
Energy: 0.8018869078049782
Energy: 0.8279869276434156
Energy: 0.8294016878396352
Energy: 0.7907106034287952
Energy: 0.793361137863755
Energy: 0.7770134594298357
Energy: 0.7905983798293243
Energy: 0.7726736661090298
Energy: 0.7752600973281162
Energy: 0.7908051926446166
Energy: 0.8046497969442065
Energy: 0.7722846374589863
Energy: 0.7875286607107846
Energy: 0.7432272447141394
Energy: 0.7484164358736973
Energy: 0.788886366566034
Energy: 0.7880949690704513
Energy: 0.7613395427256399
Energy: 0.8852637807399889
Energy: 0.7988404960861409
Energy: 0.803032518071123
Energy: 0.8864070671381634
Energy: 1.2992429454587442
Energy: 0.8020926607320594
Energy: 0.8367318725780776
Energy: 0.7681511814149435
Energy: 0.7436092593634228
Energy: 0.7897800929063453
Energy: 0.7682630552543881
Energy: 0.7637573190366597
Energy: 0.8330196748929349
Energy: 0.8444394940311047
Energy: 0.757471327793032
Energy: 0.8329329042526424
Energy: 0.8437015503170684
Energy: 0.7417807966082958
Energy: 0.8386639212278981
Energy: 0.741296881967509
Energy: 0.7683531071727305
Energy: 0.8584371015023908
Energy: 0.743670405109799
Energy: 0.7431637529870692
Energy: 0.8935925690012284
Energy: 0.8086673274183498
Energy: 0.8095898815474186
Energy: 0.7899004312624429
Energy: 0.8081931668933857
Energy: 0.7711447376583582
Energy: 0.8936810381300548
Energy: 0.7710102634416723
Energy: 0.8255381989532748
Energy: 0.8051512197230171
Energy: 0.7434071871423259
Energy: 0.814436353144349
Energy: 0.8400043810329338
Energy: 0.7891365616187153
Energy: 0.7429205375830503
Energy: 0.7895329383032906
Energy: 0.7432369645652347
Energy: 0.7437421607395134
Energy: 0.8580120788580048
Energy: 0.7412213620163489
Energy: 0.8649520383002337
Energy: 0.8572862904739031
Energy: 0.7593318429965445
Energy: 0.8647298808844732
Energy: 0.789628854692831
Energy: 0.815910284265429
Energy: 0.7654318367495149
Energy: 0.7910636410243986
Energy: 0.8067831006057066
Energy: 0.7618733284576966
Energy: 0.7629806108136489
Energy: 0.7689273056863558
Energy: 0.815184904889527
Energy: 0.7635123475770415
Energy: 0.791871737811567
Energy: 0.7626081365719936
Energy: 0.7881714436953251
Energy: 0.8138082818816628
Energy: 0.7646664941050735
Energy: 0.7903354997052965
Energy: 0.7942322453038738
Energy: 0.7669515745155016
Energy: 1.3742842555103496
Energy: 0.8573600620372719
Energy: 0.8561297042070212
Energy: 1.2930270434608537
Energy: 0.8568830269080379
Energy: 0.8008232799779528
Energy: 1.3749008643582588
Energy: 0.8679008426334318
Energy: 0.8700955207461722
Energy: 0.7929090347127875
Energy: 0.8561824672632887
Energy: 0.7472123961229196
Energy: 0.7933688364678942
Energy: 0.8801301387574157
Energy: 0.7421423057728345
Energy: 0.817198373101471
Energy: 0.8327311251315017
Energy: 0.7667640137791226
Energy: 0.8085853036210642
Energy: 0.7486931079891888
Energy: 0.7456667883564625
Energy: 0.8076749404048694
Energy: 0.8316402272418634
Energy: 0.7411784082402123
Energy: 0.7395477577333814
Energy: 0.8778937145791471
Energy: 0.7468138242651804
Energy: 0.7403535021265578
Energy: 0.881933703397057
Energy: 0.7685373689679766
Energy: 0.8413567870498179
Energy: 0.8080012809380253
Energy: 0.8099953086218331
Energy: 0.8434654023518497
Energy: 0.8757952618472062
Energy: 0.8415545502744575
Energy: 0.7889385117167589
Energy: 0.8425961305771665
Energy: 0.7653988151412029
Energy: 0.7406496922034864
Energy: 0.7925900762055422
Energy: 0.7661852046549628
Energy: 1.927112253113806
Energy: 0.8563482270669219
Energy: 0.8646996890883407
Energy: 0.7575927465382766
Energy: 1.2794449905556915
Energy: 0.8655406561180752

minimum gb energy = 0.7384085945319285 eV
minimum distance =  2.38878114082784 Angstroms
sigma value = 67


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

Energy: 1.284139510931365
Energy: 0.9074679436304681
Energy: 0.8613241391547518
Energy: 1.2835660210211837
Energy: 0.9062760203536304
Energy: 0.8613304563171313
Energy: 0.8884780404141093
Energy: 0.8333833410557373
Energy: 0.8371570248114675
Energy: 0.8892465211478122
Energy: 0.8890332861138514
Energy: 0.8363461623769229
Energy: 0.8851776724267626
Energy: 0.799018079093269
Energy: 0.8326566363383638
Energy: 0.8853061059861149
Energy: 0.8015858214718138
Energy: 0.8327724431957684
Energy: 0.8860872568878312
Energy: 0.8334659414553524
Energy: 0.8334344866224668
Energy: 0.8853881728367597
Energy: 0.8340830116181762
Energy: 0.8330225948476769
Energy: 0.8915905962309358
Energy: 0.8332329929249617
Energy: 0.8330267504375226
Energy: 0.8905882152254857
Energy: 0.8334174411340419
Energy: 0.833507714806004
Energy: 0.8899829604107607
Energy: 0.8252875646416339
Energy: 0.8345375529533807
Energy: 0.8909195435731633
Energy: 0.8744248200963209
Energy: 0.8911964262783522
Energy: 0.9537199020720147
Energy: 0.8343300419024227
Energy: 0.8370180727525786
Energy: 0.9533298507718692
Energy: 0.8885625061049311
Energy: 0.8362690595926572

minimum gb energy = 0.799018079093269 eV
minimum distance =  2.4178704849018 Angstroms
sigma value = 3


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

Energy: 1.3738186326206239
Energy: 1.223970791926987
Energy: 0.9964492130218948
Energy: 1.0303325294453125
Energy: 1.2040784290227058
Energy: 1.0556552744617032
Energy: 1.1549528523646517
Energy: 1.0506436240809274
Energy: 1.0114666984149177
Energy: 0.9887982587112373
Energy: 1.10567895807404
Energy: 1.0060357006349117
Energy: 1.1815049557506445
Energy: 1.093298924675905
Energy: 1.0938646142932689
Energy: 1.019858247326997
Energy: 1.1233664897534208
Energy: 1.1612158827144528
Energy: 1.1552892153241279
Energy: 1.0364473626266466
Energy: 1.0352086261097704
Energy: 1.1322789940258742
Energy: 1.0760784566348771
Energy: 1.0449860579512824
Energy: 1.1297174268309484
Energy: 1.0307748415138314
Energy: 1.000629811892462
Energy: 1.1277673185074577
Energy: 1.1287423625452115
Energy: 1.0200582813315082
Energy: 1.1209222274922428
Energy: 1.1514298247674222
Energy: 1.1188481462569717
Energy: 1.0406902719465758
Energy: 1.159638782444583
Energy: 1.1156405250492847
Energy: 1.102286582948269
Energy: 1.0028400498091463
Energy: 1.0365427237339908
Energy: 1.0807824961535322
Energy: 1.078848241204115
Energy: 1.0109824630765363
Energy: 1.2902513358719232
Energy: 1.3278589131259582
Energy: 1.2002470175749382
Energy: 1.1088399038400254
Energy: 1.3209435535188057
Energy: 1.092069215154275
Energy: 1.1046591212331984
Energy: 1.1024701746852783
Energy: 1.1362757775860886
Energy: 1.0863992252717345
Energy: 1.0958236256144758
Energy: 1.1526927200151365
Energy: 1.1000869096517902
Energy: 1.0415769551226917
Energy: 1.0404450435915165
Energy: 1.0980218052600839
Energy: 1.040714434473895
Energy: 1.0756704832930413
Energy: 1.1309472161459382
Energy: 1.068313900722495
Energy: 1.0926645816444016
Energy: 1.128848594711526
Energy: 1.0125254387352398
Energy: 1.1595869900141742
Energy: 1.1952794935833042
Energy: 1.1104924893628705
Energy: 1.1091021464347677
Energy: 1.1670646492092476
Energy: 1.1126887263044718
Energy: 1.111314824621916
Energy: 1.0713412588850657
Energy: 1.1131303484804602
Energy: 1.1134061267794984
Energy: 1.0735789264721083
Energy: 1.121318299048278
Energy: 1.1142116396756936
Energy: 1.1413545178762263
Energy: 1.1158485497192483
Energy: 1.1211596424388932
Energy: 1.1660090768005715
Energy: 1.1121689047690024
Energy: 1.1133834435900587
Energy: 1.1502960277842063
Energy: 1.1716925465865171
Energy: 1.1810701813168087
Energy: 1.1507034657077098
Energy: 1.1714670999359111
Energy: 1.1025135968886355
Energy: 1.1824469329295644
Energy: 1.1166616000944607
Energy: 1.1142756515889727
Energy: 1.178150360400439
Energy: 1.111165045287373
Energy: 1.0946110991576605
Energy: 1.2641522143266037
Energy: 1.076685287717751
Energy: 1.078531760700803
Energy: 1.2388063302285424
Energy: 1.0749390145278475
Energy: 1.0955767357505624
Energy: 1.2212728926833174
Energy: 1.0423565171747602
Energy: 1.1521590694971444
Energy: 1.2150323892342918
Energy: 1.0149963416234005
Energy: 1.1360965676999037
Energy: 1.329660773733205
Energy: 1.1608289563951837
Energy: 1.107332927824471
Energy: 1.0765398771398627
Energy: 1.147000551755983
Energy: 1.0425535062495879
Energy: 1.2306929459337144
Energy: 1.1586191922079618
Energy: 1.1095614074767777
Energy: 1.0600849122465108
Energy: 1.1554464388407115
Energy: 1.0433883218003177
Energy: 1.1111574962410184
Energy: 1.1147468130647804
Energy: 1.1185171655626447
Energy: 1.1005276925867942
Energy: 1.1131675386323012
Energy: 1.1048935759879253
Energy: 1.0994751260212634
Energy: 1.104000719952754
Energy: 1.11228534997463
Energy: 1.1007504343129038
Energy: 1.1068262709904042
Energy: 1.1119511587406954
Energy: 1.1135595948638983
Energy: 1.1106516874516073
Energy: 1.1211962971021376
Energy: 1.1148420301952746
Energy: 1.1034377976264187
Energy: 1.1215544892857787
Energy: 1.130012944976187
Energy: 1.063645609559878
Energy: 1.0614449709162042
Energy: 1.1311323389748424
Energy: 1.0862237660438192
Energy: 1.1047248424711247
Energy: 1.1793726537228426
Energy: 1.1194305493590835
Energy: 1.1278790209966456
Energy: 1.1580304633359022
Energy: 1.1173451947267854
Energy: 1.1283360698450617
Energy: 1.402593289942181
Energy: 1.1926331279839324
Energy: 0.9713320342227767
Energy: 1.0190390492477446
Energy: 1.2510268112739928
Energy: 1.0478310299456872
Energy: 0.9714098953285553
Energy: 1.2845794506565273
Energy: 1.0560735143500135
Energy: 0.9519563828986476
Energy: 1.2863665076601285
Energy: 1.0507243171876923
Energy: 1.181185356759052
Energy: 1.10983852714127
Energy: 1.1258700747010337
Energy: 1.18747829671359
Energy: 1.208094045782476
Energy: 1.128341622627934
Energy: 1.1639765743032622
Energy: 1.095172888782865
Energy: 1.0950464963051272
Energy: 1.165380551378119
Energy: 1.0748155439133222
Energy: 1.1236399949779012
Energy: 1.1377418697566313
Energy: 1.1163123551443888
Energy: 1.0980926389119687
Energy: 1.1246119859515955
Energy: 1.1132333007210258
Energy: 1.0977589312646139
Energy: 1.1135999622965522
Energy: 1.1735811772629745
Energy: 1.165047467772062
Energy: 1.1141841780916453
Energy: 1.1743024628827807
Energy: 1.1373175112218752
Energy: 1.122333418389655
Energy: 1.1294794517125397
Energy: 1.1173857547302226
Energy: 1.124193771315967
Energy: 1.2121010439411568
Energy: 1.10385822956861
Energy: 1.2922311488788443
Energy: 1.1729901069342217
Energy: 1.1217462129014235
Energy: 1.1066943136207865
Energy: 1.1710201361068031
Energy: 1.0763285454679945
Energy: 1.0936645956156557
Energy: 1.1321708801945465
Energy: 1.1976767080025963
Energy: 1.072514470961422
Energy: 1.2185368141634698
Energy: 1.1508451885354036
Energy: 1.1283289629375655
Energy: 1.0815089415483559
Energy: 1.075021202239602
Energy: 1.0828012220442964
Energy: 1.0112459862668497
Energy: 1.1004765028224128
Energy: 1.1645962566682575
Energy: 1.0413031834254325
Energy: 1.0400344172446387
Energy: 1.1864920627923816
Energy: 1.0432724788434782
Energy: 1.0801265964282765
Energy: 1.1996383896689928
Energy: 1.1046607737677678
Energy: 1.112176748328694
Energy: 1.1955425414466112
Energy: 1.0774381682201777
Energy: 1.1500760797159995
Energy: 1.0720435550271905
Energy: 1.1128889351143947
Energy: 1.1136817508476429
Energy: 1.0723674113051125
Energy: 1.1129597453120312
Energy: 1.268770916380707
Energy: 1.13422573283478
Energy: 1.1173611560167303
Energy: 1.1210232111900558
Energy: 1.1160391144055632
Energy: 1.1236042022863635
Energy: 1.113032628804313
Energy: 1.1510215925396368
Energy: 1.1177215489741814
Energy: 1.118420737759025
Energy: 1.1545053889693788
Energy: 1.1644523082763436
Energy: 1.1196526446502477
Energy: 1.1739539438006883
Energy: 1.1030733565986601
Energy: 1.10868828771304
Energy: 1.1492264651230222
Energy: 1.116798313011135
Energy: 1.1090738498412125
Energy: 1.2946838223770518
Energy: 1.0405901946024079
Energy: 1.0638417091374106
Energy: 1.288976702354918
Energy: 1.054662797180084
Energy: 1.1528696995385308
Energy: 1.3244282976919144
Energy: 1.0725304763862953
Energy: 1.0702783053204026
Energy: 1.32135249384064
Energy: 1.058479755613038
Energy: 1.066408538169548
Energy: 1.0945411773603093
Energy: 1.1640645007205026
Energy: 1.0983659210317653
Energy: 1.0783753900934292
Energy: 1.1337355292911364
Energy: 1.1730830076529155
Energy: 1.5427828870330869
Energy: 1.0305885416321363
Energy: 1.1521146107446423
Energy: 1.5419520612210629
Energy: 1.0286383555436736
Energy: 1.0881662129536813
Energy: 1.108239840170981
Energy: 0.9929913786522347
Energy: 0.9958132467060672
Energy: 1.1001279706419345
Energy: 0.9814771583022588
Energy: 1.0015098514640353
Energy: 1.1054313025815232
Energy: 1.110499018249048
Energy: 1.1027877804685222
Energy: 1.00158193971248
Energy: 1.1079543532643714
Energy: 1.1011134867823986
Energy: 1.115162312673
Energy: 1.0207097480446945
Energy: 1.00537757147422
Energy: 1.113871313391974
Energy: 0.9935166559512794
Energy: 1.005422881263082
Energy: 1.1352521165237175
Energy: 1.0612227499121787
Energy: 1.0369979983557907
Energy: 1.115005356012197
Energy: 1.06176187441909
Energy: 1.0420385849238638
Energy: 1.16503506051519
Energy: 1.0634315753915113
Energy: 1.0626291703231092
Energy: 1.068974111381194
Energy: 1.100914976335715
Energy: 1.034798333476659
Energy: 1.0526508306479154
Energy: 1.026253705379135
Energy: 1.0080292044592165
Energy: 0.9725123143448076
Energy: 0.999815299766016
Energy: 1.0400807037017272

minimum gb energy = 0.9519563828986476 eV
minimum distance =  2.38885796446862 Angstroms
sigma value = 81


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

Energy: 1.8326402727048416
Energy: 1.0491031354392057
Energy: 0.9299352647271232
Energy: 0.9253498580679762
Energy: 1.0472067106550225
Energy: 1.0150978763877023
Energy: 1.0820138242470898
Energy: 0.9528797333467535
Energy: 0.9512222933650543
Energy: 1.0071590469297695
Energy: 0.9536442995279731
Energy: 0.99124385157819
Energy: 1.0916349802782386
Energy: 1.0349521198327636
Energy: 1.0307484230778408
Energy: 0.9751508785241364
Energy: 1.002147607594121
Energy: 1.125135954151991
Energy: 1.0905526263964735
Energy: 1.025768113668536
Energy: 1.1091843322050394
Energy: 1.0892359430708283
Energy: 1.0006643165314615
Energy: 0.9987729896330603
Energy: 1.09231923097388
Energy: 0.9744469182125108
Energy: 1.0026652315288747
Energy: 0.9588636158817676
Energy: 0.9821775448601718
Energy: 0.973531557486408
Energy: 1.1058279758243572
Energy: 1.1069649368066772
Energy: 1.0791551808153819
Energy: 0.9870483643307731
Energy: 1.102613866138462
Energy: 1.10400358317848
Energy: 1.174560069255366
Energy: 0.9464702905549088
Energy: 0.9727420645290294
Energy: 1.1164527105624145
Energy: 0.9507436367425155
Energy: 0.9827352217033878
Energy: 1.2047708062463292
Energy: 1.2292357483257499
Energy: 1.352453032027114
Energy: 1.086476014421746
Energy: 1.2294271487991457
Energy: 1.014723841572856
Energy: 1.2000444763935858
Energy: 1.1124414253757295
Energy: 1.135435202641415
Energy: 1.0171637292517295
Energy: 1.117485144124987
Energy: 1.1192468823464656
Energy: 1.1113935673725952
Energy: 0.9195278663371466
Energy: 0.9192859349678997
Energy: 1.0930232263813426
Energy: 0.9158234679983269
Energy: 0.9158022938218752
Energy: 1.0884232487005465
Energy: 0.9162042387479457
Energy: 0.9993097875994056
Energy: 1.0799985735539164
Energy: 0.9188251513803687
Energy: 1.0866369050498974
Energy: 0.9999399844727284
Energy: 1.1615525160967002
Energy: 1.132777498080871
Energy: 1.0002454379664736
Energy: 1.1388569579081806
Energy: 1.1368627429711131
Energy: 1.0012940417972374
Energy: 1.0824336745504894
Energy: 1.1053954988943357
Energy: 1.0013921198611588
Energy: 1.0821811549105562
Energy: 0.9945811683607355
Energy: 1.0909082809295108
Energy: 1.0833082850323719
Energy: 1.1105605151459148
Energy: 1.089053886552502
Energy: 1.0849005213919707
Energy: 1.1045875128040616
Energy: 1.3068980850011163
Energy: 1.1200275614717239
Energy: 1.1182975174085263
Energy: 1.1690212636352781
Energy: 1.1264327478326972
Energy: 1.1061599129682882
Energy: 1.0866955636717075
Energy: 1.0760817972183077
Energy: 1.0987922192853732
Energy: 1.087093788229622
Energy: 1.1208703051176983
Energy: 1.1124960868749147
Energy: 1.2356609236491174
Energy: 1.0341505990317172
Energy: 1.0316927691057787
Energy: 1.2340993961371822
Energy: 1.111594467462001
Energy: 1.0038694119111577
Energy: 1.0696052943056367
Energy: 1.072407171543876
Energy: 1.1516957490041524
Energy: 1.1187164468860653
Energy: 1.1219010114059575
Energy: 1.154345809199748
Energy: 0.914625305965174
Energy: 1.0868862227833886
Energy: 0.9184081909195871
Energy: 0.9731811143044504
Energy: 1.0707781315164124
Energy: 0.9162405323398348
Energy: 1.1612902456412573
Energy: 1.085633548435162
Energy: 0.9169155602993904
Energy: 1.0011382199275527
Energy: 1.0791503017471076
Energy: 0.9171274478208093
Energy: 1.0701396332150452
Energy: 1.0716811392414471
Energy: 1.1253165832126104
Energy: 1.119427296099503
Energy: 1.0910416245704917
Energy: 1.1265785582555217
Energy: 1.0827820490893325
Energy: 1.0346056431854582
Energy: 1.0363190398897764
Energy: 1.0828018814573726
Energy: 1.002611656178516
Energy: 1.0034767268490077
Energy: 1.082563097494285
Energy: 1.0829634916866382
Energy: 1.1083907819259022
Energy: 1.0828795186441873
Energy: 1.1003279131255363
Energy: 1.1025896991751485
Energy: 1.0837714722275373
Energy: 1.1021787144010602
Energy: 1.09825873448799
Energy: 1.0838395600874735
Energy: 1.1088592936601025
Energy: 1.0993500168800767
Energy: 1.0827631541841445
Energy: 1.108799294239085
Energy: 1.0837506205480314
Energy: 1.0829603629431994
Energy: 1.0891828744605871
Energy: 1.0849318435384663
Energy: 1.1507478892942924
Energy: 1.3053500230704314
Energy: 1.1442371190210994
Energy: 1.025380686235382
Energy: 1.3077661276336503
Energy: 1.1456783772426233
Energy: 1.2252312413169089
Energy: 1.3625839528600459
Energy: 1.1935737545788527
Energy: 1.0631254547837476
Energy: 1.3537943267376082
Energy: 1.198649516219672
Energy: 1.082758592448572
Energy: 0.9164102348974653
Energy: 1.0718900389686803
Energy: 1.0725356247035824
Energy: 0.9169647528304771
Energy: 1.0735958472013098
Energy: 1.09550067495727
Energy: 0.9158395082651806
Energy: 0.9160384671263911
Energy: 1.0773642276218538
Energy: 0.9194151457234282
Energy: 0.915873572188798
Energy: 1.0870739446148463
Energy: 1.1120490488619112
Energy: 1.0954220685975524
Energy: 0.9809203318808553
Energy: 1.1152780468780048
Energy: 1.0715953993576708
Energy: 1.0026930022955003
Energy: 1.2067496262264823
Energy: 1.1269029853673156
Energy: 1.0027074307932693
Energy: 1.1849793127652783
Energy: 1.0041464606821184
Energy: 1.097643012350157
Energy: 0.9440602513521776
Energy: 0.945562545844942
Energy: 1.0868491288790165
Energy: 0.947087601476837
Energy: 0.9659065745503725
Energy: 1.314511900090307
Energy: 0.9603848050044823
Energy: 0.9559842724965909
Energy: 0.98444259761519
Energy: 0.95386011853156
Energy: 0.9484734310791868
Energy: 1.0989169566671537
Energy: 0.9525751626179708
Energy: 1.0874550550276174
Energy: 1.0940949548341654
Energy: 0.9552864515008552
Energy: 1.0071497151434092
Energy: 1.3142046277447157
Energy: 1.0380247405471663
Energy: 1.112856406724466
Energy: 1.3144094527700272
Energy: 1.116160793945042
Energy: 1.000574552194439
Energy: 1.2514178114244248
Energy: 1.1190335455228402
Energy: 1.0301189281053884
Energy: 1.1390868936291474
Energy: 1.0273288861988144
Energy: 1.2059654374059727
Energy: 1.0896466537865834
Energy: 0.9511282676109287
Energy: 0.950598603340693
Energy: 0.9652178298807725
Energy: 0.9806557331655871
Energy: 0.9899101034782004
Energy: 1.424549066982218
Energy: 0.998796937942544
Energy: 0.9232798001312515
Energy: 0.9237196037682229
Energy: 0.9981625977040949
Energy: 1.0074544673020576

minimum gb energy = 0.914625305965174 eV
minimum distance =  2.39378809222434 Angstroms
sigma value = 43


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

Energy: 1.4351198746756197
Energy: 1.219723826540285
Energy: 1.129701314622351
Energy: 1.0038137014294861
Energy: 1.242284911467317
Energy: 1.0023227692770325
Energy: 1.0330994180753585
Energy: 0.9746790952403345
Energy: 0.974526973689628
Energy: 1.0074328825202485
Energy: 0.9417520545216554
Energy: 1.0341017163934592
Energy: 1.0615885263574294
Energy: 1.0831701406053937
Energy: 1.0581861613776673
Energy: 1.0618482793116741
Energy: 1.0595841785352336
Energy: 1.0332421012649569
Energy: 1.021505244533745
Energy: 1.058791825620442
Energy: 1.0306906268245193
Energy: 1.0219831810284097
Energy: 0.9610374456690816
Energy: 1.0335492915270825
Energy: 0.9660285904734953
Energy: 0.9694062207501493
Energy: 0.9693070428095518
Energy: 0.9659519100909489
Energy: 0.9701048515139211
Energy: 0.9693139325675066
Energy: 0.9685982485135379
Energy: 0.9697638719827413
Energy: 1.0003165187089142
Energy: 0.9708710788472745
Energy: 0.969134750964504
Energy: 0.9696784931506498
Energy: 0.9669830671130524
Energy: 0.9677413740989211
Energy: 0.9680899321736427
Energy: 0.9669987039506641
Energy: 0.9677296891081549
Energy: 0.970043108702461
Energy: 1.1923597482523163
Energy: 0.9695799326229287
Energy: 0.9591473694744934
Energy: 1.0268340154312763
Energy: 0.9698448434212483
Energy: 0.967791059002618
Energy: 0.9412282912603215
Energy: 1.03329109876247
Energy: 1.030439296772482
Energy: 0.9416351645178317
Energy: 1.0080989867238141
Energy: 1.0353345509770224
Energy: 1.1944041330089368
Energy: 0.963809741129131
Energy: 0.9623459637617813
Energy: 1.1953041561281554
Energy: 1.0184721461646766
Energy: 1.0447337734072748
Energy: 0.9749764809785789
Energy: 1.0154902661845726
Energy: 1.0544038142094279
Energy: 0.9746985843593623
Energy: 0.9681104654303039
Energy: 0.9499835818736689
Energy: 0.9785580577674668
Energy: 1.0324198780897467
Energy: 1.0325373335291868
Energy: 0.9331336547105438
Energy: 1.0849668998381985
Energy: 1.0319896008474396
Energy: 1.2616922480953043
Energy: 0.9669059128468428
Energy: 0.9942713232946876
Energy: 1.0573159412623712
Energy: 1.062956802676824
Energy: 0.9950519906190369
Energy: 0.9798967539864134
Energy: 1.0229332599596563
Energy: 0.9988756998520544
Energy: 0.9417485579303387
Energy: 1.0224616260452144
Energy: 0.9740747624381475
Energy: 0.9792900407811096
Energy: 0.9835072439436252
Energy: 0.9822194436287208
Energy: 0.9790514725139081
Energy: 0.994895948994654
Energy: 0.9829968982535134
Energy: 0.9787634333942147
Energy: 1.0633555814743967
Energy: 0.9516799033939738
Energy: 0.9787623138297912
Energy: 0.968191615897935
Energy: 0.975513652917999
Energy: 0.9779056448472769
Energy: 1.0389198483672284
Energy: 1.038869548699864
Energy: 0.9813872843791315
Energy: 1.019188736057506
Energy: 0.9865697829143172
Energy: 0.978664892677531
Energy: 1.014223802886774
Energy: 1.0386785108542387
Energy: 0.9826733675265079
Energy: 1.0116549913964026
Energy: 1.0389411407591975
Energy: 0.9350842508333987
Energy: 1.0335156686104165
Energy: 1.0367993274738836
Energy: 0.9913022845577559
Energy: 1.1573426290213091
Energy: 1.0171198699957313
Energy: 1.1214403422345565
Energy: 0.9868989888533726
Energy: 0.9791648886300047
Energy: 1.02774390860219
Energy: 0.9717838211550758
Energy: 0.9638359219398104
Energy: 0.9838864836151052
Energy: 1.0176524414818255
Energy: 1.1906834322498947
Energy: 1.0299138699063137
Energy: 0.9449906043639411
Energy: 1.0198211477004047
Energy: 1.1964449738300067
Energy: 0.9934987993438706
Energy: 0.9947176534259629
Energy: 1.1949452522876034
Energy: 1.0561916325456944
Energy: 1.1583628999774807
Energy: 0.9912384984507222
Energy: 1.01772323656046
Energy: 1.0173787749865773
Energy: 0.9876406179743972
Energy: 0.9765967229020733
Energy: 1.0166582414504173
Energy: 1.1268988885188265
Energy: 1.060284328567736
Energy: 1.0386800108506575
Energy: 1.0100792383135497
Energy: 0.9515406081897582
Energy: 1.0481111369746732
Energy: 0.9758977275745303
Energy: 0.9790238932323659
Energy: 1.029899084041896
Energy: 1.0296024030137017
Energy: 0.9785681064888836
Energy: 1.0378211258856902
Energy: 1.0636765972362154
Energy: 0.9741615566264464
Energy: 0.954260598799268
Energy: 1.0100768627382632
Energy: 0.973742757790752
Energy: 1.0440328106868935
Energy: 1.0161313490919417
Energy: 0.9743008322114942
Energy: 0.9808525764754762
Energy: 1.0229270149310834
Energy: 0.9745257615093949
Energy: 1.031462294044255
Energy: 1.0116921851122516
Energy: 0.951587367034342
Energy: 1.0187594772626538
Energy: 1.0217455001151572
Energy: 0.9605705105200384
Energy: 1.0225620594064215
Energy: 1.0795800963590763
Energy: 1.026987598765371
Energy: 1.0277431481005357
Energy: 1.0795947267202761
Energy: 1.0297334916704246
Energy: 1.0185544814989427
Energy: 1.0216937542532378
Energy: 0.95056168145693
Energy: 0.9990948779262186
Energy: 1.0075737035922967
Energy: 0.9417544455874577
Energy: 1.0356851604744568
Energy: 1.5661407824019067
Energy: 1.1994899678209678
Energy: 1.1082024717564007
Energy: 0.9895120228077717
Energy: 1.2190107230520855
Energy: 0.9340880401107331

minimum gb energy = 0.9331336547105438 eV
minimum distance =  2.38773895669321 Angstroms
sigma value = 57


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

Energy: 1.4232182764180499
Energy: 1.2321141803317723
Energy: 1.040992761446317
Energy: 1.427758212162379
Energy: 1.2324264259733513
Energy: 1.040924777030177
Energy: 1.0736915024395677
Energy: 1.015935330327175
Energy: 0.9883847326747599
Energy: 1.014004069003799
Energy: 1.016399047767221
Energy: 0.9383079432133
Energy: 0.9871246845545306
Energy: 0.903336633176371
Energy: 0.9027304849459329
Energy: 0.9877292684558493
Energy: 0.9034292989627338
Energy: 0.9255546160339627
Energy: 1.0020347548199469
Energy: 0.9031038561092725
Energy: 0.9032355211423928
Energy: 1.0026764003569082
Energy: 0.9268964605727366
Energy: 1.0012061414641695
Energy: 0.9736983458049697
Energy: 0.9521119561404024
Energy: 0.9522841351184015
Energy: 0.9751732120855608
Energy: 0.9540968157403913
Energy: 0.9540700051789308
Energy: 0.9444358829695672
Energy: 0.954037765224137
Energy: 0.9540305175102826
Energy: 0.9318328301518688
Energy: 0.952440957303621
Energy: 0.9320077459806761
Energy: 1.0114044361244507
Energy: 1.0250241334935497
Energy: 1.0235059857432447
Energy: 1.0144848535276008
Energy: 1.0239163609845836
Energy: 1.0217731063296305
Energy: 0.9888079624501936
Energy: 1.0023806726346518
Energy: 1.0084641156472742
Energy: 0.9262814753596456
Energy: 1.0018325871736948
Energy: 1.0031695583846345
Energy: 1.0135902429403167
Energy: 1.0412207058658551
Energy: 0.9862821930811746
Energy: 1.0137166332037169
Energy: 1.068161271554117
Energy: 0.9411421093840313
Energy: 1.2319467486019111
Energy: 1.0245925290294151
Energy: 0.969816270695446
Energy: 1.2325038960538361
Energy: 1.0250676408660586
Energy: 0.9952790181950603
Energy: 1.2363679781753043
Energy: 0.926750637939754
Energy: 1.0027765280183252
Energy: 1.0274434210595698
Energy: 0.9796441231292066
Energy: 1.0022554061480566
Energy: 0.9494830830753881
Energy: 1.0173419203944096
Energy: 1.0587058794922406
Energy: 0.9495275765812533
Energy: 1.016586530258321
Energy: 1.094306796180683
Energy: 0.9446160738218231
Energy: 0.974727831787542
Energy: 1.0369533814695038
Energy: 0.9000253574315846
Energy: 0.973921746976486
Energy: 1.0412331396140684
Energy: 1.0121953940246176
Energy: 0.9865862057571255
Energy: 0.9392535445300961
Energy: 1.0230445975262628
Energy: 1.0123833691787625
Energy: 1.0005544569177183
Energy: 1.0014668225181134
Energy: 0.9028420653113066
Energy: 0.9458721403183348
Energy: 1.0025717058729868
Energy: 0.9031110595478186
Energy: 0.9352909576082419
Energy: 1.023032899467353
Energy: 0.9559433184442164
Energy: 0.9789530379608637
Energy: 1.0235194171226507
Energy: 0.9676860014636511
Energy: 1.0216999586449536
Energy: 0.9742955838617745
Energy: 0.9519288315628399
Energy: 0.9520994788779958
Energy: 1.0550631736108902
Energy: 0.9319485485712403
Energy: 0.93294933543353
Energy: 0.9736953139030264
Energy: 0.9534324555017603
Energy: 0.9557938348836035
Energy: 0.9739583333699171
Energy: 1.0220272758435087
Energy: 0.9546735587629119
Energy: 1.0729752445770107
Energy: 1.0024619954437128
Energy: 1.0031247400281837
Energy: 1.0737074464433218
Energy: 1.0262783835146208
Energy: 0.978249268229266
Energy: 1.0725009081035364
Energy: 1.001031047198109
Energy: 1.00105622212746
Energy: 1.0735900257056301
Energy: 0.93471682878856
Energy: 0.9766336567426029
Energy: 1.0262707754983325
Energy: 0.9887848183507684
Energy: 0.986457509885021
Energy: 1.0263026861842397
Energy: 1.0135976654098384
Energy: 1.0003561992571774
Energy: 1.235921564364311
Energy: 0.9708379455760671
Energy: 0.9971124297389385
Energy: 1.2364658441591416
Energy: 0.9710374080443814
Energy: 0.9853569383746766
Energy: 1.0015159720992353
Energy: 0.9861628324281786
Energy: 0.9891615189530527
Energy: 1.0154467263608784
Energy: 1.0126594776693196
Energy: 0.98644998965433
Energy: 0.9443424523314021
Energy: 0.9731602726469288
Energy: 1.0365595253394413
Energy: 0.9012901996070692
Energy: 0.938988182789261
Energy: 1.0378156014275342

minimum gb energy = 0.9000253574315846 eV
minimum distance =  2.36326830095284 Angstroms
sigma value = 17


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

Energy: 1.5844536248335332
Energy: 1.0391644518526633
Energy: 1.1482726534582506
Energy: 0.868114779672673
Energy: 1.0403975377363113
Energy: 0.8683169883843322
Energy: 1.1722522455385667
Energy: 1.0323678989979208
Energy: 1.0323415198937949
Energy: 1.044913331488244
Energy: 1.0329664012852162
Energy: 0.9192464681268191
Energy: 1.3231304243775017
Energy: 0.8428383218995272
Energy: 0.8418282989652899
Energy: 1.0323396219641923
Energy: 0.8437173598096014
Energy: 0.928462265347698
Energy: 1.0353705565101117
Energy: 0.8425750589270257
Energy: 0.88607168627593
Energy: 1.0359413872927778
Energy: 0.9246448278423818
Energy: 1.032789281088513
Energy: 0.9375560599830403
Energy: 0.9055139999687958
Energy: 0.9054394061699281
Energy: 0.9383496423823497
Energy: 0.90555905534754
Energy: 0.8542487348199288
Energy: 0.9286088792317952
Energy: 0.9006229505680393
Energy: 0.8992223588719269
Energy: 0.8459927978320076
Energy: 0.9084442142474022
Energy: 0.8441958486056513
Energy: 0.9105697224119872
Energy: 0.9281238772417582
Energy: 0.9278485860800818
Energy: 0.9371996897000449
Energy: 0.9316601327814802
Energy: 0.9061988876153199
Energy: 0.9308908267993946
Energy: 0.8514482921095283
Energy: 0.8515157158510303
Energy: 0.8523931724130649
Energy: 0.855118593354499
Energy: 0.8699633049245327
Energy: 0.9313670694695968
Energy: 0.8531920502143249
Energy: 0.8539528217870318
Energy: 0.9326004047150773
Energy: 0.9090038256268685
Energy: 0.9046996413917624
Energy: 0.9293687384631808
Energy: 0.854103107672119
Energy: 0.854473493737418
Energy: 0.9294542028813946
Energy: 0.8542470932810837
Energy: 0.8996858014912388
Energy: 1.0783384996543084
Energy: 0.8534977422980191
Energy: 0.8538554034791227
Energy: 0.9011041727696751
Energy: 0.9395763519732174
Energy: 0.8997568295165048
Energy: 0.9324013205794142
Energy: 1.0308895048114906
Energy: 1.0312946449184037
Energy: 0.9239182209213677
Energy: 1.0360186578814723
Energy: 1.0321813347496729
Energy: 0.9354436613591319
Energy: 1.0325488160880107
Energy: 1.0323447057707926
Energy: 0.8478189773761384
Energy: 1.0360127680737286
Energy: 0.9915226871365763
Energy: 1.0442500708680509
Energy: 1.03229883693064
Energy: 1.032360519503533
Energy: 1.0449622804938887
Energy: 1.0329666191126206
Energy: 0.9061242605735712
Energy: 1.1258672377698942
Energy: 0.929121257712802
Energy: 0.9293248150504959
Energy: 1.1259288646561605
Energy: 0.9292749167131146
Energy: 0.9859463657643799
Energy: 1.3262138055744603
Energy: 1.000813028667095
Energy: 0.9632859819181903
Energy: 1.0395063800320612
Energy: 1.0451686471941286
Energy: 1.032654418889755
Energy: 0.9214844237307633
Energy: 1.0406624187425684
Energy: 1.1246571363083275
Energy: 0.9241350169176918
Energy: 1.0399315856463505
Energy: 1.1241192648461729

minimum gb energy = 0.8418282989652899 eV
minimum distance =  2.36003574073816 Angstroms
sigma value = 17


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

Energy: 1.6817346370775184
Energy: 1.010854552530167
Energy: 0.8152049811016046
Energy: 0.8064022519733219
Energy: 1.0724748326772993
Energy: 0.8932617165934822
Energy: 1.1244470308437988
Energy: 1.0098868363228544
Energy: 0.8692828717211919
Energy: 0.9154075390662942
Energy: 1.005995890078376
Energy: 0.7814348731130322
Energy: 1.2467331963456967
Energy: 0.8301290757752935
Energy: 0.8682851430931778
Energy: 0.9241068006292482
Energy: 0.8300767129476894
Energy: 0.8682268272498056
Energy: 1.0206345466293887
Energy: 0.8687663733725399
Energy: 0.9083167694740466
Energy: 1.0306692151233683
Energy: 0.8560126226810926
Energy: 0.9262626582743303
Energy: 0.9472509805892954
Energy: 0.9251748629279115
Energy: 0.9285813248791533
Energy: 1.016543880455614
Energy: 0.8066743533203415
Energy: 0.7790961487942467
Energy: 0.9380773504314924
Energy: 0.9156530577831861
Energy: 0.832205161612398
Energy: 0.8332160681072265
Energy: 0.9492321373761164
Energy: 0.8346091342577877
Energy: 1.1534169764557292
Energy: 0.9546401561672154
Energy: 0.9493314277599678
Energy: 0.9327056507677021
Energy: 0.9516200232518903
Energy: 0.8801460287205424
Energy: 1.155549600928822
Energy: 0.8177161071436899
Energy: 0.8737425052372633
Energy: 0.9075033350430932
Energy: 0.8160728161360253
Energy: 0.8737099397278404
Energy: 0.9230941803596326
Energy: 0.8669733010515326
Energy: 0.8713679328172171
Energy: 0.9255483318617386
Energy: 0.973267642965103
Energy: 0.9190381184087992
Energy: 0.9194352987793178
Energy: 0.8831826760888485
Energy: 0.8859602983913258
Energy: 0.9202088631164029
Energy: 0.8856034249906257
Energy: 0.8855371235188171
Energy: 1.092302444519434
Energy: 0.9170330768894448
Energy: 0.8913940510104365
Energy: 0.876325409504811
Energy: 0.9171337205769473
Energy: 0.8910371160600643
Energy: 0.9483196842901649
Energy: 0.9249196870464458
Energy: 0.9169678990440707
Energy: 0.9491021608119522
Energy: 0.9236055268033201
Energy: 0.8937526130164913
Energy: 0.9773360647365485
Energy: 0.9085703498369891
Energy: 0.8863113047122378
Energy: 0.9450889473920737
Energy: 0.8972914404123195
Energy: 0.8868874427515359
Energy: 0.9404793988135728
Energy: 0.8795014842745303
Energy: 0.8779883920707385
Energy: 0.9423369378607136
Energy: 0.9579401991675176
Energy: 0.938990906847115
Energy: 0.9388199829549566
Energy: 0.8263733095600541
Energy: 0.825460943901239
Energy: 0.9385557774558091
Energy: 0.8216545994643011
Energy: 0.9148036170112583
Energy: 1.1781172744700052
Energy: 0.9464498674653405
Energy: 0.9090073113938575
Energy: 0.9569021021755404
Energy: 1.1091053032797804
Energy: 0.9518264424323131
Energy: 0.8766731036322223
Energy: 1.059894733019612
Energy: 1.0595593871102624
Energy: 0.8780981802082304
Energy: 1.0642247879228608
Energy: 0.8496931602417506
Energy: 0.865081364930727
Energy: 1.0650747526535453
Energy: 1.0579240991780154
Energy: 0.9155237371883503
Energy: 1.0694861979004309
Energy: 0.8494269953401046
Energy: 1.156863558371833
Energy: 1.063445774970231
Energy: 0.9120629448983133
Energy: 0.9943670754310606
Energy: 0.8999281244498833
Energy: 0.9613482308086274
Energy: 1.2292773466682818
Energy: 0.8466811904128527
Energy: 0.8454270088584508
Energy: 1.055343222855495
Energy: 0.8415788061142542
Energy: 0.996139068315545
Energy: 1.2329952285273265
Energy: 1.0643957229652277
Energy: 1.0642705563022987
Energy: 1.0364179693988351
Energy: 1.0645981930715755
Energy: 0.9931978579319233
Energy: 0.8422218559457127
Energy: 1.0980128697319564
Energy: 1.0432608556890066
Energy: 0.7876343667437794
Energy: 1.2081512523666762
Energy: 0.8041869426648033
Energy: 0.8455097730717147
Energy: 1.083177910312831
Energy: 1.0764946109999525
Energy: 0.8463733509758059
Energy: 1.0666009330262816
Energy: 0.999540069500787
Energy: 1.229954364302521
Energy: 0.8455155698207744
Energy: 0.9392536089004343
Energy: 1.0353525149367198
Energy: 0.8944480196909773
Energy: 0.995772693721078
Energy: 1.0615572564650633
Energy: 0.8313841453395671
Energy: 0.8686535426390513
Energy: 1.0621563340639768
Energy: 0.8305306244246456
Energy: 0.9088945675033173
Energy: 1.0215841248570687
Energy: 0.9320308603698219
Energy: 0.9323215685776949
Energy: 1.01886457625109
Energy: 0.9520502614852343
Energy: 0.9576783792500947
Energy: 0.9349744827242158
Energy: 0.9546116028802135
Energy: 0.9097486765658312
Energy: 0.8324622015435493
Energy: 0.954908075737151
Energy: 0.8353743554507725
Energy: 0.8756016443775942
Energy: 0.9658703524660351
Energy: 0.961027711254445
Energy: 0.8766508382259665
Energy: 0.9642379135820678
Energy: 0.9599919191245575
Energy: 1.2210355257901633
Energy: 0.8949532788728849
Energy: 0.8961060226907865
Energy: 0.9801391904153833
Energy: 0.971208465170823
Energy: 0.8989875340025221
Energy: 0.9294819852753663
Energy: 0.8173192071797137
Energy: 0.8945864689375224
Energy: 0.9204773627034231
Energy: 0.8166454475387106
Energy: 0.9085025064653989
Energy: 0.9252505070038847
Energy: 0.873259848326055
Energy: 0.8720970979728531
Energy: 0.925483569492508
Energy: 0.8834395995109313
Energy: 0.8731300186825055
Energy: 1.082575838184287
Energy: 0.8834399125978499
Energy: 0.8834971891589086
Energy: 0.8937154371868222
Energy: 0.8896304206621317
Energy: 0.8836175616282315
Energy: 1.0958465551003342
Energy: 0.9231050635386476
Energy: 0.9168187589510226
Energy: 1.0948934090986975
Energy: 0.9207173421342177
Energy: 0.9173051216904629
Energy: 1.4191382194889197
Energy: 0.88122866905629
Energy: 0.8880168864034897
Energy: 0.8890655668362819
Energy: 0.9154290421503208
Energy: 0.8812833544658706
Energy: 0.9445645501152373
Energy: 0.8930735817006025
Energy: 0.892397215404791
Energy: 0.9463910310480677
Energy: 0.8834828729289617
Energy: 0.8930247227693642
Energy: 0.9440550657357805
Energy: 0.8204021879690523
Energy: 0.884061712129753
Energy: 0.9456048144997503
Energy: 0.8194945055769228
Energy: 0.923189388105584
Energy: 1.1909100541940763
Energy: 0.8901159131309279
Energy: 0.8911777508705743
Energy: 0.9326067137033667
Energy: 0.9780448692864196
Energy: 0.89000612514725
Energy: 0.8821719791687206
Energy: 1.0561191050526624
Energy: 0.9155607278242204
Energy: 0.9084569495618613
Energy: 1.0523983213120371
Energy: 0.9173357000960485
Energy: 1.015679572646092
Energy: 1.0689189235460868
Energy: 0.8860244108137632
Energy: 0.8480695986681301
Energy: 1.0825138633395912
Energy: 0.8594231283956532
Energy: 1.1838226704777528
Energy: 1.0666543545687117
Energy: 0.946989145483289
Energy: 1.0689677297089
Energy: 0.9724476503963281
Energy: 0.9057652826790794
Energy: 1.1527392199642084
Energy: 0.8472481495951492
Energy: 0.9923699384254648
Energy: 1.0030170680570372
Energy: 0.8464478845277323
Energy: 1.0109838505930275
Energy: 1.250249408376357
Energy: 0.9225893610164191
Energy: 0.8623780870040837
Energy: 0.9224956116799854
Energy: 0.9072235064858828
Energy: 0.9153920755578375
Energy: 0.8910918124136895
Energy: 1.0099343924495412
Energy: 1.0015377515764692
Energy: 0.8471186240800044
Energy: 1.0259561340737942
Energy: 0.9786955521777069

minimum gb energy = 0.7790961487942467 eV
minimum distance =  2.30568610642651 Angstroms
sigma value = 57


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

Energy: 1.4217929843935182
Energy: 1.3410892641543
Energy: 0.7627235308068507
Energy: 0.714089573074441
Energy: 1.3394404103205326
Energy: 0.7649407576984609
Energy: 1.090885113678235
Energy: 0.7660805461176114
Energy: 0.7653516409329382
Energy: 0.9011522545486209
Energy: 0.7744172945535509
Energy: 0.732538918146538
Energy: 1.091156863827205
Energy: 0.7132610851200742
Energy: 0.7099893781094542
Energy: 0.900502812342971
Energy: 0.7116303279302195
Energy: 0.7953783272660107
Energy: 0.9160754351824926
Energy: 0.7120810160581414
Energy: 0.7760479732083421
Energy: 0.8013773377871699
Energy: 1.0011654627040554
Energy: 0.8242291903160048
Energy: 0.9085658228616774
Energy: 0.7664914049806836
Energy: 0.7658809446276241
Energy: 0.9093292387649448
Energy: 0.8261659667781792
Energy: 0.7325537287365447
Energy: 0.7585456973807947
Energy: 0.7984581504825427
Energy: 0.698879030057171
Energy: 0.6785621343355659
Energy: 0.8121280795407281
Energy: 0.6987138556966702
Energy: 1.0047346526045253
Energy: 0.8059371693004812
Energy: 0.8079239190015879
Energy: 0.9153102236387771
Energy: 0.8051733225840361
Energy: 0.7024820742944166
Energy: 1.0041685103415119
Energy: 0.6798925557259714
Energy: 0.6949794431971901
Energy: 0.754085625881512
Energy: 0.6800555149481571
Energy: 0.7095562958480628
Energy: 0.7748554559620651
Energy: 0.6996666668281964
Energy: 0.7464885441598083
Energy: 0.776226895456514
Energy: 1.0077816228149576
Energy: 0.7828759701946912
Energy: 0.7619467872935084
Energy: 0.7076093911017337
Energy: 0.7058539345609229
Energy: 0.7618549738217592
Energy: 0.7106845388584466
Energy: 0.7055088876756762
Energy: 0.998514784390419
Energy: 0.7720344628113
Energy: 0.6930894734486049
Energy: 0.6758636906378055
Energy: 0.7688922215060144
Energy: 0.6924409059342698
Energy: 0.7727423542557672
Energy: 0.764244608592438
Energy: 0.7692170181585466
Energy: 0.7736873222171013
Energy: 0.7656612599626876
Energy: 0.6855295410663681
Energy: 0.9962309491315823
Energy: 0.7752662520317024
Energy: 0.6876966766612316
Energy: 0.9974194138691374
Energy: 0.6805527170306591
Energy: 0.6886871717960017
Energy: 0.757508642945645
Energy: 0.6871474037222639
Energy: 0.7330026229675298
Energy: 0.7590441533936405
Energy: 0.9970016555968294
Energy: 0.7688051516885918
Energy: 0.7563268167620625
Energy: 0.6791413975879674
Energy: 0.6786816766619417
Energy: 0.7566344137307117
Energy: 0.6788924754069389
Energy: 0.6791947550044434
Energy: 0.9949539814225986
Energy: 0.7833146419030164
Energy: 0.7024018965201505
Energy: 0.7005044927681687
Energy: 0.780408679969272
Energy: 0.7002796493507623
Energy: 0.7815824634621115
Energy: 0.779537097345212
Energy: 0.7834587711988759
Energy: 0.9026013000658402
Energy: 0.7819007238884489
Energy: 0.7039202270433139
Energy: 0.7594076355224249
Energy: 0.7050088153291747
Energy: 0.7034212801938844
Energy: 0.7604256818047819
Energy: 0.701617553749847
Energy: 0.702569898151801
Energy: 0.7978113978810112
Energy: 0.7383839516679019
Energy: 0.7990786745391067
Energy: 0.7995559317093055
Energy: 0.882377179496393
Energy: 0.8090560667447682
Energy: 1.0328687265392498
Energy: 0.7098950844168013
Energy: 0.7132832287822444
Energy: 0.9238654116191091
Energy: 0.6895410095689317
Energy: 0.7304411814154458
Energy: 1.0302791901153079
Energy: 0.7648123786536934
Energy: 0.7066404437437788
Energy: 0.7896226656798698
Energy: 0.9203002528862249
Energy: 0.7665897987292384
Energy: 0.9937005873637604
Energy: 0.9007018924747916
Energy: 0.7743494656490726
Energy: 0.7037330036456034
Energy: 0.905232098036231
Energy: 0.7219545153139463
Energy: 0.7742498444641686
Energy: 0.902645327048269
Energy: 0.8692599848677437
Energy: 0.7748512231133382
Energy: 0.8973434642652559
Energy: 0.8550978107083113
Energy: 1.022559346154113
Energy: 0.8007904757263158
Energy: 0.7328226147443548
Energy: 0.7715794546363357
Energy: 0.7976287584255459
Energy: 0.7712053828586938
Energy: 1.0948897030192923
Energy: 0.7202830017504456
Energy: 0.7198031776252202
Energy: 0.8494940318469532
Energy: 0.7206447821883448
Energy: 0.8865743525010229
Energy: 1.0882444613923896
Energy: 0.9025925352881028
Energy: 0.9052678090770164
Energy: 0.8999696111936023
Energy: 0.9017001119292541
Energy: 0.7671357324607315
Energy: 0.8998198926094453
Energy: 0.9063618648422541
Energy: 0.8081132942404977
Energy: 0.6981281678755745
Energy: 0.9807668796539787
Energy: 0.7745422915601639

minimum gb energy = 0.6758636906378055 eV
minimum distance =  2.36083774203744 Angstroms
sigma value = 43


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

Energy: 1.2989945531828981
Energy: 0.7461034424556546
Energy: 0.6537626125010246
Energy: 0.5792473454790756
Energy: 0.7448883153304863
Energy: 0.6171166116058491
Energy: 0.8393225990346871
Energy: 0.6309954317593263
Energy: 0.6325475348503471
Energy: 0.7436086385493831
Energy: 0.632410257776485
Energy: 0.5778530443813489
Energy: 0.8943480770368119
Energy: 0.5488547666667227
Energy: 0.5624876089686199
Energy: 0.747301006741098
Energy: 0.5539339954909615
Energy: 0.5618010479510233
Energy: 0.7624626026846962
Energy: 0.5622313251835446
Energy: 0.6094443970485516
Energy: 0.6711589126632471
Energy: 0.8099473333937072
Energy: 0.6799356217588541
Energy: 0.8184564595590736
Energy: 0.6330337276411074
Energy: 0.6268779505929806
Energy: 0.8179087272984921
Energy: 0.6699726374615053
Energy: 0.6274830720348259
Energy: 0.6267761109748065
Energy: 0.669432827472563
Energy: 0.5622231773365198
Energy: 0.5399937636722797
Energy: 0.6692759363003977
Energy: 0.5904417813400997
Energy: 0.8276495280583299
Energy: 0.6685809971298865
Energy: 0.6685534571440771
Energy: 0.7350826289610618
Energy: 0.6727972852080216
Energy: 0.7739434421700003
Energy: 0.8279455774821505
Energy: 0.5387521679101553
Energy: 0.546672117386215
Energy: 0.5943281969042643
Energy: 0.5390154683965284
Energy: 0.546495585994017
Energy: 0.6481755672213
Energy: 0.5462224994285093
Energy: 0.6429914240143563
Energy: 0.6484761115776502
Energy: 0.8110817851879786
Energy: 0.6433415937819416
Energy: 0.6438016840262724
Energy: 0.565515875445304
Energy: 0.5649340725461176
Energy: 0.6436627050776133
Energy: 0.5648986505417047
Energy: 0.556582095342194
Energy: 0.81045899907203
Energy: 0.6282264834854904
Energy: 0.5439131325427412
Energy: 0.5377145030174013
Energy: 0.6279647813218241
Energy: 0.5391160494472871
Energy: 0.8125966575461069
Energy: 0.6271165829210283
Energy: 0.6269091540048405
Energy: 0.8127506624212689
Energy: 0.6344632340711913
Energy: 0.5628355066845987
Energy: 0.8143242163116671
Energy: 0.5379663116727738
Energy: 0.5877949198534546
Energy: 0.8153995986869931
Energy: 0.5379044517796188
Energy: 0.5640571375860879
Energy: 0.6200427498941665
Energy: 0.6063430931348446
Energy: 0.6182689642892587
Energy: 0.6202319102837552
Energy: 0.8116275114806603
Energy: 0.6182347725390155
Energy: 0.6171988940710924
Energy: 0.5427535784831575
Energy: 0.5428043464063756
Energy: 0.6172904871265819
Energy: 0.543332722351879
Energy: 0.5442513067163965
Energy: 0.8106003131063533
Energy: 0.6138033845183591
Energy: 0.5383712255769807
Energy: 0.5418704633192938
Energy: 0.6137426518392548
Energy: 0.5379679460058182
Energy: 0.8143593399768821
Energy: 0.6135229437444187
Energy: 0.6130310616273866
Energy: 0.6846800025092028
Energy: 0.6134673492049985
Energy: 0.5467506526177885
Energy: 0.8145133274897413
Energy: 0.5460913261118635
Energy: 0.5463426168183022
Energy: 0.8158474869576515
Energy: 0.5813351265929049
Energy: 0.5461992105543856
Energy: 0.614009702135188
Energy: 0.5991357478381341
Energy: 0.6134341581460818
Energy: 0.6160807216620942
Energy: 0.8093887584493641
Energy: 0.6133999959352855
Energy: 0.8128114332526791
Energy: 0.553749269791002
Energy: 0.5539313145933896
Energy: 0.8141323870521018
Energy: 0.5630348188872981
Energy: 0.5535528884018173
Energy: 0.8164202547324463
Energy: 0.617757414857652
Energy: 0.6175453229945972
Energy: 0.5510770074022846
Energy: 0.61774117866987
Energy: 0.5537901987540454
Energy: 0.7122656314645289
Energy: 0.6184504024614531
Energy: 0.5390926978759181
Energy: 0.5431313154895865
Energy: 0.6182068183616026
Energy: 0.5391992384963358
Energy: 0.6260176081025065
Energy: 0.546224627566272
Energy: 0.5456471102774053
Energy: 0.6260685664609197
Energy: 0.5459778351543895
Energy: 0.545234839692128
Energy: 0.6301079340817667
Energy: 0.6223523430437594
Energy: 0.6268560335542963
Energy: 0.631136202449141
Energy: 0.8100684203184813
Energy: 0.6271468878270254
Energy: 0.8188908695583187
Energy: 0.5396113721963857
Energy: 0.5451106292134419
Energy: 0.8186946273904131
Energy: 0.5385359382154081
Energy: 0.6028462604418177
Energy: 0.8189205639088599
Energy: 0.6428910745909466
Energy: 0.6431855681192686
Energy: 0.7027017528082813
Energy: 0.6497252416790291
Energy: 0.5741585072689778
Energy: 0.6242722743487592
Energy: 0.6430865461434238
Energy: 0.5553329379093705
Energy: 0.5391875904992339
Energy: 0.643003172930928
Energy: 0.5424157881417819
Energy: 0.7374232194715452
Energy: 0.5644703939630896
Energy: 0.5666565438122849
Energy: 0.7372947270714416
Energy: 0.6095053389430903
Energy: 0.5569119854698236
Energy: 0.6731917378773598
Energy: 0.5542157549645579
Energy: 0.6682487383218463
Energy: 0.6741180104218859
Energy: 0.8137658883147827
Energy: 0.6683220612138744
Energy: 0.8465734478772661
Energy: 0.5429792597987408
Energy: 0.5538551371006336
Energy: 0.6285130855351024
Energy: 0.5429673589155862
Energy: 0.5536921028340274
Energy: 0.8445335175228283
Energy: 0.6309927079428552
Energy: 0.627472388483301
Energy: 0.6707128457604996
Energy: 0.6317521016378828
Energy: 0.5643058544655761
Energy: 0.6363822998195438
Energy: 0.7432024299129056
Energy: 0.6239764505466201
Energy: 0.546160737798401
Energy: 0.7430582824130253
Energy: 0.5644316370906323
Energy: 0.8227354400165664
Energy: 0.7456172688095434
Energy: 0.7419947503938423
Energy: 0.8217997469485612
Energy: 0.7470154012687957
Energy: 0.7118925807987279
Energy: 0.8447439114149394
Energy: 0.5729689703755171
Energy: 0.6147310702865499
Energy: 0.6321260970780967
Energy: 0.8086137413895886
Energy: 0.737273714124548
Energy: 0.8921710200226952
Energy: 0.560394524310083
Energy: 0.6252374602361356
Energy: 0.7490641188063508
Energy: 0.5660985308827076
Energy: 0.6250644461824688
Energy: 0.8386148337863091
Energy: 0.7436055855089143
Energy: 0.7418363730406125
Energy: 0.744320429217711
Energy: 0.746876484991501
Energy: 0.5963214509915805

minimum gb energy = 0.5377145030174013 eV
minimum distance =  2.38201948705194 Angstroms
sigma value = 81


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

Energy: 0.03912090451780743