Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.814778730273247
cohesive_energy=4.122774919192733
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=[4.6453028673205795e-20, 1.60445172482028e-19, 2.52264313199934e-19, 3.2364769095116995e-19, 3.8144941737598795e-19, 4.2795259417783796e-19, 4.65050994138108e-19, 4.947040792801799e-19, 5.1925743619623e-19, 5.4028600451748e-19, 5.586453465664859e-19, 5.7477285656433e-19, 5.889184740659159e-19, 6.0124401891127795e-19, 6.12153239612184e-19, 6.21977786731872e-19, 6.30943567175736e-19, 6.39081022299822e-19, 6.461273951361539e-19, 6.517910895373439e-19, 6.55905479133456e-19, 6.585763075823339e-19, 6.600390948491761e-19, 6.604893064833299e-19, 6.600455035557119e-19, 6.58683653416812e-19, 6.562916037022501e-19, 6.523967123049959e-19, 6.462956236827239e-19, 6.371455929259499e-19, 6.2397570099447e-19, 6.0583906149759e-19, 5.82360765102954e-19, 5.53500757394712e-19, 5.19166112128092e-19, 4.79223848642472e-19, 4.32826415498466e-19, 3.77695517522526e-19, 3.1111065879011996e-19, 2.29394843926218e-19, 1.255875767620704e-19, -1.4946241187362138e-20, -2.57242276001772e-19, -5.858278753389299e-19, -1.0446335849577058e-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: 0.013112598837434378
Energy: 0.013355725057232658
Energy: 0.21095794294192943
Energy: 0.21106319399379794
Energy: 0.2108611137480552
Energy: 0.01322825211664327
Energy: 0.013355725057232658
Energy: 1.0057038990745926
Energy: 0.21147513854641053
Energy: 0.21091788095881045
Energy: 0.2115608667220933
Energy: 0.2111162956814303
Energy: 0.21095794294244669
Energy: 0.21147513854689903
Energy: 1.0050476848729128
Energy: 0.0134101066661487
Energy: 0.21108130509203768
Energy: 0.21149516448374583
Energy: 0.21106319399230364
Energy: 0.21091788095929898
Energy: 0.0134101066661487
Energy: 0.013264137615803933
Energy: 0.21157580613719804
Energy: 0.21091257835804947
Energy: 0.2108611137480552
Energy: 0.2115608667220933
Energy: 0.21108130509203768
Energy: 0.21157580613719804
Energy: 1.0052972475041742
Energy: 0.21123232190326133
Energy: 0.013228252116126004
Energy: 0.2111162956809418
Energy: 0.21149516448374583
Energy: 0.21091257835804947
Energy: 0.21123232190326133
Energy: 0.013385081523379411

minimum gb energy = 0.013112598837434378 eV
minimum distance =  2.43545635226438 Angstroms
sigma value = 1


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

Energy: 1.1345622388374381
Energy: 1.4728499880393802
Energy: 1.3101194521915211
Energy: 1.266461491884656
Energy: 1.3083081510864971
Energy: 1.4755736113325566
Energy: 1.12345601537551
Energy: 1.3090766423280749
Energy: 1.309396176793987
Energy: 1.1209890084466914
Energy: 1.308353276778586
Energy: 1.3085422495095544
Energy: 1.2687948921510923
Energy: 1.3087767314805405
Energy: 1.1237341286876557
Energy: 1.1287455682294467
Energy: 1.3095993095058232
Energy: 1.3103394053346438
Energy: 1.2655371649126144
Energy: 1.3101092214536652
Energy: 1.528363057153664
Energy: 1.1298572050691977
Energy: 1.3088575730791059
Energy: 1.2672492102990907
Energy: 1.268341041355938
Energy: 1.2686166407766495
Energy: 1.3087424195621016
Energy: 1.1234094134299053
Energy: 1.3127638028686197
Energy: 1.2703694829657435
Energy: 1.1246816049130284
Energy: 1.5443113006058018
Energy: 1.313307694945151
Energy: 1.2709022571457682
Energy: 1.5302174995704625
Energy: 1.383298214627922
Energy: 1.1240079912140966
Energy: 1.5307066955632929
Energy: 1.5156884424363741
Energy: 1.5160888109649464
Energy: 1.5378634361837373
Energy: 1.526144747321792
Energy: 1.1253018982433105
Energy: 1.124362635035787
Energy: 1.2698302621063398
Energy: 1.123928528641148
Energy: 1.5187793190712253
Energy: 1.122847189481167
Energy: 1.1254515987545588
Energy: 1.5273692714295897
Energy: 1.526571188064881
Energy: 1.2644870499781025
Energy: 1.5311204976744208
Energy: 1.1231529150220392
Energy: 1.1212790315068164
Energy: 1.531305786570078
Energy: 1.5280280471434706
Energy: 1.2684045077604102
Energy: 1.5608174665662604
Energy: 1.5636113772844635
Energy: 1.1252539349828896
Energy: 1.273692523502245
Energy: 1.311846343715065
Energy: 1.1230208600917018
Energy: 1.313395037074672
Energy: 1.1237835990777447
Energy: 1.2678065191975214
Energy: 1.3100397628745917
Energy: 1.4809425440107862
Energy: 1.130031683504941
Energy: 1.3089124481239032
Energy: 1.2688882161290362
Energy: 1.2696268804560196
Energy: 1.3132499445790888
Energy: 1.4764419647885951
Energy: 1.1300409716059812
Energy: 1.3142560788410014
Energy: 1.2676882587376566
Energy: 1.1232905774652273
Energy: 1.3116886920374953
Energy: 1.3150774939348497
Energy: 1.1228780387101835
Energy: 1.314574131233051
Energy: 1.3141045823723136
Energy: 1.1285252944653075
Energy: 1.3143114807476846
Energy: 1.308284443082783
Energy: 1.264818111216824
Energy: 1.3083801309926772
Energy: 1.530081880779147
Energy: 1.1298783978504934
Energy: 1.309138772141936
Energy: 1.3103296331639624
Energy: 1.2645698575348738
Energy: 1.308218289220519
Energy: 1.3094870690355664
Energy: 1.1226102707607084
Energy: 1.3084462450099126
Energy: 1.1227009041457439
Energy: 1.1238554128033216
Energy: 1.3846231191236826
Energy: 1.311417704936853
Energy: 1.266531046687999
Energy: 1.5269804512758767
Energy: 1.5296221090077953
Energy: 1.5285745803845912
Energy: 1.5300373406295193
Energy: 1.5144655619307947
Energy: 1.267252438713607
Energy: 1.558612194706564
Energy: 1.1240123672865825
Energy: 1.1218663932244373
Energy: 1.5287250503433447
Energy: 1.5468390892736679
Energy: 1.2683531376421788
Energy: 1.560127462875739
Energy: 1.12288802485935
Energy: 1.1237126453566908
Energy: 1.3889095951188095
Energy: 1.2711727577459981
Energy: 1.2638864554359344
Energy: 1.529982538681096
Energy: 1.563270422266441
Energy: 1.1216100921182772
Energy: 1.5299243266688298
Energy: 1.5197529799372045
Energy: 1.2702853126063987
Energy: 1.307834963014671
Energy: 1.3849132149610328
Energy: 1.1249901382352276
Energy: 1.53001163781342
Energy: 1.3096392386933053
Energy: 1.1237299409695618
Energy: 1.2716993746025758
Energy: 1.2678168194672352
Energy: 1.2686312264055686
Energy: 1.3095722128723364
Energy: 1.3079588536074402

minimum gb energy = 1.1209890084466914 eV
minimum distance =  2.23633896110559 Angstroms
sigma value = 33


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

Energy: 1.1911555978034873
Energy: 1.3743239880753035
Energy: 1.278973168555733
Energy: 1.2506053280995848
Energy: 1.2793330169737065
Energy: 1.5700745816356612
Energy: 1.476350511817246
Energy: 1.3871980306666025
Energy: 1.2783554028897435
Energy: 1.260547691383032
Energy: 1.2785715036070135
Energy: 1.4800346806724642
Energy: 1.373084358522808
Energy: 1.4802129012311946
Energy: 1.1781281671087498
Energy: 1.1782165366783635
Energy: 1.4773808457895015
Energy: 1.482214855695303
Energy: 1.4345914536037156
Energy: 1.4758864144987867
Energy: 1.4791291121245855
Energy: 1.1832077012005544
Energy: 1.4771316064125704
Energy: 1.4392054347209715
Energy: 1.442655599038001
Energy: 1.492128119891747
Energy: 1.2799451126546155
Energy: 1.2565464981178622
Energy: 1.2789556943562308
Energy: 1.4364547930447331
Energy: 1.257838392439436
Energy: 1.6007946226173928
Energy: 1.2783140273568068
Energy: 1.2601975600967688
Energy: 1.6020423310069658
Energy: 1.581492171238711
Energy: 1.2575816765059333
Energy: 1.601276815145034
Energy: 1.5955418847143388
Energy: 1.5756168959051309
Energy: 1.5963701211306112
Energy: 1.5519190226701192
Energy: 1.2589453594575695
Energy: 1.2784802838743017
Energy: 1.2793528451363425
Energy: 1.2605196587807157
Energy: 1.568838103860302
Energy: 1.2783526162424481
Energy: 1.250219093294736
Energy: 1.4785515091642285
Energy: 1.4629280817761001
Energy: 1.4370107895526927
Energy: 1.4747784130989503
Energy: 1.3516140198505482
Energy: 1.183511272376946
Energy: 1.4801194406408917
Energy: 1.4590634485607314
Energy: 1.4349293266309444
Energy: 1.4763378242808962
Energy: 1.5693472873754664
Energy: 1.2882318270766755
Energy: 1.2788571317004545
Energy: 1.479377262237002
Energy: 1.368565498758504
Energy: 1.4749431385640333
Energy: 1.2870495337331025
Energy: 1.2575145219027422
Energy: 1.2853031573810594
Energy: 1.2782978005971186
Energy: 1.1869509028290912
Energy: 1.2791348942099807
Energy: 1.2875694988489295
Energy: 1.2493124375250533
Energy: 1.2807786954514826
Energy: 1.278501902319408
Energy: 1.1887495546300677
Energy: 1.2791848840876088
Energy: 1.2498178711253305
Energy: 1.1758209464834506
Energy: 1.179128427515967
Energy: 1.4775082248031601
Energy: 1.3686092123017988
Energy: 1.4748694456271023
Energy: 1.1791513908721944
Energy: 1.2577392461787926
Energy: 1.5810612392160517
Energy: 1.5786011133692575
Energy: 1.4364076821916143
Energy: 1.5841146792627392
Energy: 1.5819394074146693
Energy: 1.2478468722385863
Energy: 1.5812997109611986
Energy: 1.5971527362428732
Energy: 1.4355954337961412
Energy: 1.5772543290032106
Energy: 1.2846093112020238
Energy: 1.1803025183397255
Energy: 1.1799054371159545
Energy: 1.3638959429385973
Energy: 1.368638011647211
Energy: 1.516772736318101
Energy: 1.1793289822190796
Energy: 1.178977425548276
Energy: 1.5821877291031083
Energy: 1.5663558532800774
Energy: 1.5791057585134538
Energy: 1.582817623046066
Energy: 1.5863992781480403
Energy: 1.1783185054075256
Energy: 1.5815791585507233
Energy: 1.4789172014489607
Energy: 1.4430875298160954
Energy: 1.580691672857222
Energy: 1.358790582473236
Energy: 1.2493109669146885
Energy: 1.2511478590252645
Energy: 1.4775362037608015
Energy: 1.3725837799424543
Energy: 1.3924407263765466
Energy: 1.2503511973119348
Energy: 1.248181260004662
Energy: 1.27842059716002
Energy: 1.3753258818207454
Energy: 1.1888820321756775
Energy: 1.2794615293567473
Energy: 1.247522321080237
Energy: 1.261788957949563
Energy: 1.2783689902196995
Energy: 1.387194311136226
Energy: 1.2530646099685083
Energy: 1.2783308021325972
Energy: 1.288737176855534
Energy: 1.2885935784486813
Energy: 1.361559106154393
Energy: 1.4754120872499767
Energy: 1.368359380519353
Energy: 1.47462636005952
Energy: 1.2815210654623803
Energy: 1.183757583081941
Energy: 1.4743597916349542
Energy: 1.4746088463367149
Energy: 1.4343343976655791
Energy: 1.4745870195142456
Energy: 1.5760728369153836
Energy: 1.4351669513128755
Energy: 1.1799282049780229
Energy: 1.4777749267847458
Energy: 1.43603279881982
Energy: 1.4749419880724381
Energy: 1.2841711380926164
Energy: 1.260527843075419
Energy: 1.2774326366836337
Energy: 1.58476448622614
Energy: 1.2596826754219252
Energy: 1.5950103197568977
Energy: 1.2792009354018932
Energy: 1.320093103735178
Energy: 1.5949472803735598
Energy: 1.604676633820308
Energy: 1.2512243981581137
Energy: 1.6093806447049213
Energy: 1.5969680485009554
Energy: 1.2594284598075969
Energy: 1.5958048438449262
Energy: 1.2779282289707452
Energy: 1.261703942667233
Energy: 1.2777518181315286
Energy: 1.2865015692541912
Energy: 1.4374469763906796
Energy: 1.4755228837631265
Energy: 1.2799022823522217
Energy: 1.2543817216017288
Energy: 1.4788835820855304
Energy: 1.4358269683309999
Energy: 1.4364507810500877
Energy: 1.4753734499815703
Energy: 1.5678001426692394
Energy: 1.1854333772702168
Energy: 1.4746277142548772
Energy: 1.4609308265776786
Energy: 1.367636309682936
Energy: 1.4750828178440603
Energy: 1.280737349648625
Energy: 1.2902511603303934
Energy: 1.4300788961858737
Energy: 1.4648452557934228
Energy: 1.3620955157983523
Energy: 1.2783077755997094
Energy: 1.279385905650613
Energy: 1.2606210941634417
Energy: 1.2788234863191974
Energy: 1.3639150946427427
Energy: 1.1893859962589584
Energy: 1.2810301123153878
Energy: 1.2801062660546676
Energy: 1.2492911756454304
Energy: 1.2812713578387265
Energy: 1.4762494064247074
Energy: 1.3711064980312502
Energy: 1.4754124013876346
Energy: 1.1795855998841052
Energy: 1.253435697443272
Energy: 1.2497023706155266
Energy: 1.481969175676418
Energy: 1.4354420951273403
Energy: 1.5821176685160938
Energy: 1.582372808291308
Energy: 1.259684641939791
Energy: 1.5811524948022433
Energy: 1.4651747870267449
Energy: 1.434526503892093
Energy: 1.5766465039106023
Energy: 1.582813031849098
Energy: 1.18009815043146
Energy: 1.5816856679529672
Energy: 1.581513744871724
Energy: 1.3672234330555906
Energy: 1.364396286305408
Energy: 1.1792715349621339
Energy: 1.180819825615895
Energy: 1.1805808549878702
Energy: 1.3679931241355268
Energy: 1.4342856849046963
Energy: 1.576935541225871
Energy: 1.5780465482279795
Energy: 1.1794812051606127
Energy: 1.5814479751128256
Energy: 1.5729065028099862
Energy: 1.434630531620089
Energy: 1.583144839481325
Energy: 1.5818490392460647
Energy: 1.1797419435722127
Energy: 1.5824612510573721
Energy: 1.4633324952101474
Energy: 1.3699070247009837
Energy: 1.4789177978902892
Energy: 1.180305250424906
Energy: 1.2567970741637664
Energy: 1.1809058892568873
Energy: 1.475268640839074
Energy: 1.186705358806349
Energy: 1.2799467580761374
Energy: 1.2510401355824008
Energy: 1.2542469802594787
Energy: 1.285047589021849
Energy: 1.5682149869817963

minimum gb energy = 1.1758209464834506 eV
minimum distance =  2.23151261957759 Angstroms
sigma value = 51


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

Energy: 2.34672979059936
Energy: 1.6117507074121908
Energy: 1.4175993606195236
Energy: 1.4320834613849323
Energy: 1.4182671748364701
Energy: 1.613104866482556
Energy: 1.1790152712472453
Energy: 1.4224542925923669
Energy: 1.4213521958861257
Energy: 1.4263479462934108
Energy: 1.4181447810805992
Energy: 1.4245757529065666
Energy: 1.4287034264338943
Energy: 1.4188103748701626
Energy: 1.428721713746031
Energy: 1.4329366804225527
Energy: 1.418494963086009
Energy: 1.4208056344105537
Energy: 1.4342179135663413
Energy: 1.4197101117039612
Energy: 1.4304082659122015
Energy: 1.4275260165946753
Energy: 1.4202771817063329
Energy: 1.4191091794414623
Energy: 1.4311473500430432
Energy: 1.4184601756490836
Energy: 1.4208691468270387
Energy: 1.431137387528097
Energy: 1.4205237574124772
Energy: 1.418619643456865
Energy: 1.434459458645319
Energy: 1.6446868527833152
Energy: 1.430634669143856
Energy: 1.4319189451700538
Energy: 1.638343927328112
Energy: 1.4302812022454638
Energy: 1.434474404460621
Energy: 1.6457520428987378
Energy: 1.63907222692689
Energy: 1.6780218358556953
Energy: 1.6400630174884239
Energy: 1.4300328754121336
Energy: 1.4262434255131333
Energy: 1.418239514893298
Energy: 1.432979330343836
Energy: 1.4302841166875044
Energy: 1.6996944096861362
Energy: 1.4180290353113119
Energy: 1.1796037357291642
Energy: 1.41814693868771
Energy: 1.4184703044310363
Energy: 1.4329846349362447
Energy: 1.4186573131416969
Energy: 1.1744199734224716
Energy: 1.1775606027198302
Energy: 1.4342021366012092
Energy: 1.4197982632584742
Energy: 1.426775282319572
Energy: 1.4195528669003301
Energy: 1.6127150241017625
Energy: 1.4360760791316338
Energy: 1.420615539874978
Energy: 1.4181130652036358
Energy: 1.42921070682412
Energy: 1.4205835481694808
Energy: 1.4193946300482487
Energy: 1.430255791484315
Energy: 1.4349393517996065
Energy: 1.4180962027125026
Energy: 1.4219776813358906
Energy: 1.4326256743449577
Energy: 1.4225352735810601
Energy: 1.4338399285056707
Energy: 1.4318669350128685
Energy: 1.4178411981670311
Energy: 1.4221427506790927
Energy: 1.4189957663772212
Energy: 1.4178815523011972
Energy: 1.4316169782167367
Energy: 1.4264531409792818
Energy: 1.420417434925665
Energy: 1.427592142746086
Energy: 1.420596348923698
Energy: 1.4432536235953581
Energy: 1.4367625891318536
Energy: 1.6384121786298365
Energy: 1.4319920137019282
Energy: 1.6760237690908881
Energy: 1.6391218329574115
Energy: 1.640447718832565
Energy: 1.4328765600822522
Energy: 1.4320471478452708
Energy: 1.6386057546956632
Energy: 1.6761650539682327
Energy: 1.638656355485923
Energy: 1.429548151969956
Energy: 1.4312063588468458
Energy: 1.4206166134848142
Energy: 1.447225818900356
Energy: 1.4272027041240847
Energy: 1.4440546881466836
Energy: 1.4204547100385692
Energy: 1.1785504362466375
Energy: 1.4328103070242342
Energy: 1.419695752976028
Energy: 1.4338590923146868
Energy: 1.4278890723063244
Energy: 1.6149056661120917

minimum gb energy = 1.1744199734224716 eV
minimum distance =  2.24332687510699 Angstroms
sigma value = 19


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

Energy: 1.2470428175160588
Energy: 1.5052536572337318
Energy: 1.377813969086418
Energy: 1.3294038280907123
Energy: 1.3736597630166478
Energy: 1.5057724464191125
Energy: 1.2200553535701772
Energy: 1.5771387379188824
Energy: 1.2920592480717417
Energy: 1.2937154565589104
Energy: 1.3742259256682472
Energy: 1.577014060358911
Energy: 1.36251918563763
Energy: 1.5767835292439807
Energy: 1.4464382568580068
Energy: 1.2914571664596879
Energy: 1.5828409310026883
Energy: 1.5268793551196604
Energy: 1.5140960821071698
Energy: 1.578408494308836
Energy: 1.5772884516826948
Energy: 1.4027783316220037
Energy: 1.5773545295790523
Energy: 1.5349532606797807
Energy: 1.3628763532534223
Energy: 1.536640194688723
Energy: 1.3762588913307834
Energy: 1.2931370416147674
Energy: 1.6005447384951885
Energy: 1.3633195757296854
Energy: 1.5149259307881393
Energy: 1.576875476503702
Energy: 1.4457638236616532
Energy: 1.2910097401044698
Energy: 1.5905830322922279
Energy: 1.5846638219161902
Energy: 1.5144456511496631
Energy: 1.577962829685785
Energy: 1.627002841759891
Energy: 1.223068285832021
Energy: 1.576828925803218
Energy: 1.5845434981546975
Energy: 1.362281673647101
Energy: 1.5781631271818386
Energy: 1.4453541912547192
Energy: 1.220982254863068
Energy: 1.4925489636856064
Energy: 1.362269444060782
Energy: 1.2236939719364521
Energy: 1.4672838068474927
Energy: 1.3787807747548517
Energy: 1.291446871504666
Energy: 1.3769217421513205
Energy: 1.5772713077724128
Energy: 1.224974801313853
Energy: 1.3770509446527375
Energy: 1.3746220031102552
Energy: 1.33465600695023
Energy: 1.375589033862779
Energy: 1.5331024951427576
Energy: 1.33253832163237
Energy: 1.5771889672181147
Energy: 1.3773091916607383
Energy: 1.3271653680191418
Energy: 1.44590344603822
Energy: 1.2921567119837616
Energy: 1.3621474507919789
Energy: 1.6339824568266763
Energy: 1.6376215002737124
Energy: 1.4078956892803243
Energy: 1.6343010189414535
Energy: 1.362203905193084
Energy: 1.5880098262945077
Energy: 1.6341080187397186
Energy: 1.469520256805088
Energy: 1.3933163572037057
Energy: 1.6380363091456
Energy: 1.6387429439664734
Energy: 1.292693701466683
Energy: 1.3625066283398164
Energy: 1.5394199509140287
Energy: 1.3256152205006992
Energy: 1.5917556083418538
Energy: 1.3624271087672888
Energy: 1.3345790530912491
Energy: 1.3762455424914486
Energy: 1.7001232530619557
Energy: 1.2205569352352303
Energy: 1.3736652293043259
Energy: 1.333042283104777
Energy: 1.2938499269523356
Energy: 1.3746231778698015
Energy: 1.514948919795288
Energy: 1.2289480985923675
Energy: 1.3786587148210006
Energy: 1.2938122907420062
Energy: 1.2983238292037167
Energy: 1.4455486659898775
Energy: 1.57677520881322
Energy: 1.3300682971491127
Energy: 1.5772543427583792
Energy: 1.223205675168994
Energy: 1.402466592221636
Energy: 1.5907974135330434
Energy: 1.5255404843965696
Energy: 1.3624825313252193
Energy: 1.577392704643854
Energy: 1.5919923605316648
Energy: 1.4023818945914936
Energy: 1.5818881045134958
Energy: 1.6216117878725431
Energy: 1.4826106320686618
Energy: 1.592588804463982
Energy: 1.446770343999726
Energy: 1.2226328602337837
Energy: 1.5503812446430816
Energy: 1.3626675741824004
Energy: 1.36228352477972
Energy: 1.3625005824562635
Energy: 1.2960017105847033
Energy: 1.356980611213292
Energy: 1.5896166012713124
Energy: 1.5781928841056492
Energy: 1.5160215446067544
Energy: 1.5823570341144144
Energy: 1.4466236790833509
Energy: 1.2218702436385336
Energy: 1.5775124468247232
Energy: 1.5834090838096362
Energy: 1.3625916133983489
Energy: 1.580315722886491
Energy: 1.627300421265381
Energy: 1.2229713411199112
Energy: 1.4452847255387529
Energy: 1.5783577067977093
Energy: 1.3294565417258541
Energy: 1.576941978877072
Energy: 1.2973047332077048
Energy: 1.2924752575169203
Energy: 1.3764549530270953
Energy: 1.5875321906362887
Energy: 1.2243794594244517
Energy: 1.3781602847232366
Energy: 1.2931661938100454
Energy: 1.329472016991798
Energy: 1.3778300949564644
Energy: 1.4462257381457393
Energy: 1.288761214475813
Energy: 1.376288513728768
Energy: 1.3314485734798325
Energy: 1.2929551436515594
Energy: 1.36271148575118
Energy: 1.528855235569326
Energy: 1.3291230484047618
Energy: 1.5906328720065945
Energy: 1.2945612326364095
Energy: 1.4096473438190693
Energy: 1.6338275523717587
Energy: 1.66026594247752
Energy: 1.4828994471299695
Energy: 1.639960927581081
Energy: 1.634039472598762
Energy: 1.363195909293426
Energy: 1.4689065416100429
Energy: 1.6360575633875427
Energy: 1.582515557845224
Energy: 1.6341165393485497
Energy: 1.526401758670995
Energy: 1.3310987362097257
Energy: 1.5772460404834485
Energy: 1.2914001562060704
Energy: 1.2930461701960012
Energy: 1.3622753606742581
Energy: 1.2933448174574036
Energy: 1.2282892650003039
Energy: 1.3762496481892657
Energy: 1.375113859682953
Energy: 1.334632306196735
Energy: 1.3773685403576443
Energy: 1.357921700512335

minimum gb energy = 1.2200553535701772 eV
minimum distance =  2.26317791127757 Angstroms
sigma value = 27


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

Energy: 1.5311568093684182
Energy: 1.4613287413163254
Energy: 1.312438449138223
Energy: 1.1222563695029073
Energy: 1.311166967572283
Energy: 1.4869683857082825
Energy: 1.1247073419221099
Energy: 1.332140826579438
Energy: 1.1236170762307813
Energy: 1.123355729247164
Energy: 1.3539783650409833
Energy: 1.1187244814052137
Energy: 1.1185579758715782
Energy: 1.3265697411840887
Energy: 1.3344920486513827
Energy: 1.1190982343238425
Energy: 1.3266899257282505
Energy: 1.1188876350264523
Energy: 1.3743921476170669
Energy: 1.3278898203926457
Energy: 1.3283104387530718
Energy: 1.1197230180525308
Energy: 1.3276643396343226
Energy: 1.3275895985152313
Energy: 1.1189777490223456
Energy: 1.3315081113044565
Energy: 1.327998791914353
Energy: 1.1195007043954113
Energy: 1.4691202367638434
Energy: 1.3111845044610444
Energy: 1.1200165831471471
Energy: 1.3146971924889392
Energy: 1.3314045820375466
Energy: 1.1230398829324975
Energy: 1.4658294213120426
Energy: 1.119121779696505
Energy: 1.1200398371676923
Energy: 1.310977981430478
Energy: 1.4555407147254307
Energy: 1.1320598272489864
Energy: 1.3309071610599361
Energy: 1.1245417908355477
Energy: 1.1247315022051958
Energy: 1.1237449364350494
Energy: 1.3322492729232636
Energy: 1.1233408762425583
Energy: 1.4663762434045895
Energy: 1.123316135831325
Energy: 1.1184341579943329
Energy: 1.333488746866951
Energy: 1.3280940612621024
Energy: 1.1193278964421398
Energy: 1.3268041622613735
Energy: 1.3607816455212185
Energy: 1.3571180146297903
Energy: 1.3280176414186462
Energy: 1.3283469482766248
Energy: 1.1180683957669753
Energy: 1.3282658412259463
Energy: 1.3278422255950508
Energy: 1.1190578925861983
Energy: 1.4688409226910932
Energy: 1.3313629178125463
Energy: 1.1193690493936395
Energy: 1.333503207474317
Energy: 1.11892984547353
Energy: 1.1247073421813956
Energy: 1.4647964766271169
Energy: 1.31369217868544
Energy: 1.1183682275974387
Energy: 1.3317980370522666
Energy: 1.1189686172681574

minimum gb energy = 1.1180683957669753 eV
minimum distance =  2.30727105225434 Angstroms
sigma value = 9


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

Energy: 1.4145906489325784
Energy: 1.4076970260915107
Energy: 1.2610556290740564
Energy: 1.2638794355192944
Energy: 1.3150671314450002
Energy: 1.497483467018282
Energy: 1.232095710925005
Energy: 1.317053448428431
Energy: 1.3232162623125585
Energy: 1.289716025073256
Energy: 1.3187036287911111
Energy: 1.3273458793218442
Energy: 1.292188024711933
Energy: 1.3158541372517079
Energy: 1.4193548788122672
Energy: 1.3777228946169013
Energy: 1.5720169222423603
Energy: 1.315456562191405
Energy: 1.221827239630924
Energy: 1.5737181904681254
Energy: 1.5725679816995657
Energy: 1.2609275864725698
Energy: 1.5731695517244266
Energy: 1.4181001666698287
Energy: 1.2900535028290048
Energy: 1.417948906712816
Energy: 1.3147377413630947
Energy: 1.2900574234178661
Energy: 1.572817006172131
Energy: 1.3159705835793525
Energy: 1.2903067028491337
Energy: 1.3204287575291738
Energy: 1.5048327308602882
Energy: 1.2734327964191694
Energy: 1.31549432240663
Energy: 1.3243099337119746
Energy: 1.2605245800775906
Energy: 1.3148748446489837
Energy: 1.4552447554816461
Energy: 1.3728525125404072
Energy: 1.3166798905771528
Energy: 1.2610781405499487
Energy: 1.2717859515207732
Energy: 1.3194723106341308
Energy: 1.5046874296155957
Energy: 1.274632314417316
Energy: 1.315225610458893
Energy: 1.263565255338349
Energy: 1.2847847015137213
Energy: 1.2625378394757298
Energy: 1.3163242274634497
Energy: 1.2913100330466007
Energy: 1.5464876478320737
Energy: 1.262479449700229
Energy: 1.2871647746677393
Energy: 1.5377592330397643
Energy: 1.5414429878244436
Energy: 1.3070108640263007
Energy: 1.5345146162678196
Energy: 1.2838419534182215
Energy: 1.229607159003936
Energy: 1.3702129834942078
Energy: 1.5464307999187683
Energy: 1.5368341608719323
Energy: 1.542330475951124
Energy: 1.2287527757287617
Energy: 1.223493306725321
Energy: 1.5215206084991078
Energy: 1.3284136668297033
Energy: 1.2896792780495892
Energy: 1.459104185840146
Energy: 1.2248954447991094
Energy: 1.2601453814505799
Energy: 1.4548627178567006
Energy: 1.3346973748452224
Energy: 1.336014760647122
Energy: 1.4554517918952348
Energy: 1.5365210200681545
Energy: 1.223872731494068
Energy: 1.481687049285471
Energy: 1.4141288157863134
Energy: 1.3324321576463556
Energy: 1.4575195118868298
Energy: 1.3860176848366912
Energy: 1.2306229537868196
Energy: 1.5830628126022313
Energy: 1.3135633731913894
Energy: 1.3330796823458344
Energy: 1.3134038270765391
Energy: 1.2312063217119982
Energy: 1.3024748726036788
Energy: 1.458476815310231
Energy: 1.3856312040081673
Energy: 1.3322202862140171
Energy: 1.45640534187513
Energy: 1.5074410053350658
Energy: 1.2180485633444496
Energy: 1.466836377427011
Energy: 1.3301056845933186
Energy: 1.282366608837951
Energy: 1.459097133803378
Energy: 1.5077961156324986
Energy: 1.2350691065289998
Energy: 1.5443672519358007
Energy: 1.4793714193772105
Energy: 1.2904691543805376
Energy: 1.5390707403619583
Energy: 1.2343649054562895
Energy: 1.2900679493578124
Energy: 1.4869238730426249
Energy: 1.5359864982955167
Energy: 1.2701825509988918
Energy: 1.5371576937134104
Energy: 1.2629128271197174
Energy: 1.2945709032339632
Energy: 1.5523296890146132
Energy: 1.4789299394572788
Energy: 1.2898170520844325
Energy: 1.5889323984119768
Energy: 1.284109108034961
Energy: 1.2626548072428514
Energy: 1.2607324007739873
Energy: 1.3350374747903637
Energy: 1.2861859208726159
Energy: 1.569039957620005
Energy: 1.2611448569628545
Energy: 1.267888474306925
Energy: 1.3177324039893608
Energy: 1.4123350995577282
Energy: 1.2220560450856435
Energy: 1.3185805329746334
Energy: 1.2628652473724973
Energy: 1.2614308566713406
Energy: 1.3303437486721608
Energy: 1.3176761437270867
Energy: 1.2186472965467343
Energy: 1.3346361126136355
Energy: 1.3279767735696475
Energy: 1.2908641037700948
Energy: 1.316098839603948
Energy: 1.3211257143165784
Energy: 1.2902108234606682
Energy: 1.5775305999670335
Energy: 1.315340489752159
Energy: 1.2812610552329722
Energy: 1.5746582450488087
Energy: 1.419912027340505
Energy: 1.2915305540376918
Energy: 1.573871708059203
Energy: 1.574794000834341
Energy: 1.2911703519453943
Energy: 1.421306741508
Energy: 1.3155385321662236
Energy: 1.2235786759817096
Energy: 1.5756589925193407
Energy: 1.3149263820194539
Energy: 1.2830346616516344
Energy: 1.5860098504068092
Energy: 1.3150236545552763
Energy: 1.2912137803663848
Energy: 1.3148910078095877
Energy: 1.3363652958341572
Energy: 1.262100488088887
Energy: 1.3182678649142552
Energy: 1.316397066359833
Energy: 1.2620167020860427
Energy: 1.317762678944793
Energy: 1.460097894260351
Energy: 1.2317897071944017
Energy: 1.3267057704992982
Energy: 1.3298293778160208
Energy: 1.2776745639222058
Energy: 1.3320594679272069
Energy: 1.4761309366861142
Energy: 1.2890177402994434
Energy: 1.456412684424482
Energy: 1.261182459572038
Energy: 1.2618934994920548
Energy: 1.261950157535926
Energy: 1.3265200392490661
Energy: 1.30530838706858
Energy: 1.5432289236639785
Energy: 1.5446591193358095
Energy: 1.2977165800041275
Energy: 1.5352511948384417
Energy: 1.4561563969026297
Energy: 1.3047919162721147
Energy: 1.534449300259557
Energy: 1.263121221247213
Energy: 1.2246147244869323
Energy: 1.369954725277134
Energy: 1.5667481073937743
Energy: 1.2900641636629726
Energy: 1.4557333573275215
Energy: 1.3832682338707534
Energy: 1.2318788206781852
Energy: 1.5438936848028628
Energy: 1.31632975159946
Energy: 1.2744620168969985
Energy: 1.4567302503156316
Energy: 1.4580169689429394
Energy: 1.261863803127663
Energy: 1.4567359004424625
Energy: 1.3110688574196478
Energy: 1.3306411026494627
Energy: 1.4608149233000265
Energy: 1.4755044120505154
Energy: 1.379402108365032
Energy: 1.4630970070086886
Energy: 1.3342228336657969
Energy: 1.3104535199188365
Energy: 1.311784697732727
Energy: 1.380283539706941
Energy: 1.2371046896429085
Energy: 1.4138302086574575
Energy: 1.3101784747509546
Energy: 1.3300909006554176
Energy: 1.4601873300011725
Energy: 1.478053004816564
Energy: 1.2177027447005464
Energy: 1.4658914681481607
Energy: 1.3335444628149515
Energy: 1.3386597618920952
Energy: 1.4716978936327976
Energy: 1.3525251091564374
Energy: 1.3032732491952301
Energy: 1.4561301054999678
Energy: 1.3112142176340165
Energy: 1.2934811379831654
Energy: 1.4694351250556967
Energy: 1.2307119293786308
Energy: 1.2289147757626828
Energy: 1.5444903826291831
Energy: 1.3171355603576635
Energy: 1.2602070487277806
Energy: 1.53569836383871
Energy: 1.2609434417266714
Energy: 1.2944248621400372
Energy: 1.5361592954053518
Energy: 1.5452776577832523
Energy: 1.2624059697195098
Energy: 1.5461560567588075
Energy: 1.5555791249254838
Energy: 1.2949990419550097
Energy: 1.5397885560829732
Energy: 1.5006750564685498
Energy: 1.2893568901127017
Energy: 1.4573378624661428
Energy: 1.261468334222527
Energy: 1.263625285202576
Energy: 1.2659109344044268
Energy: 1.3297592212110105
Energy: 1.2184239751876769
Energy: 1.3218812817982761
Energy: 1.277858016697236
Energy: 1.2867138486314667
Energy: 1.3341046433519008
Energy: 1.4084431999634084

minimum gb energy = 1.2177027447005464 eV
minimum distance =  2.22458417791136 Angstroms
sigma value = 57


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

Energy: 2.1667132823177875
Energy: 1.4746991659835473
Energy: 1.146284587135461
Energy: 1.1453078468519866
Energy: 1.3291459290577838
Energy: 1.4765728204871202
Energy: 1.1477229065664467
Energy: 1.3783732862459206
Energy: 1.3512894124028203
Energy: 1.1804305348079593
Energy: 1.179725665742442
Energy: 1.330418745113743
Energy: 1.1837466024922372
Energy: 1.4908097788895314
Energy: 1.3787919616266078
Energy: 1.1470170715526207
Energy: 1.492295869123414
Energy: 1.1795273366305354
Energy: 1.1427193650151601
Energy: 1.3725392349408576
Energy: 1.492877511032145
Energy: 1.1465255076095415
Energy: 1.3774701776904343
Energy: 1.1429784525467364
Energy: 1.1450390809603967
Energy: 1.3778905557000862
Energy: 1.4886146649506147
Energy: 1.184832660687382
Energy: 1.5068465386001648
Energy: 1.3299024054982533
Energy: 1.1821781613707696
Energy: 1.3510309161997038
Energy: 1.3743924686508946
Energy: 1.1472530442173237
Energy: 1.1800248509256999
Energy: 1.1789835618004558
Energy: 1.1456333428541605
Energy: 1.3289282017729542
Energy: 1.3289988272873972
Energy: 1.2443513717150656
Energy: 1.328179163125484
Energy: 1.1446628034696535
Energy: 1.1475585791841483
Energy: 1.334962855363697
Energy: 1.3731575027250782
Energy: 1.149158228670609
Energy: 1.179717787135109
Energy: 1.3307576521191917
Energy: 1.1481964858108151
Energy: 1.1460934282449151
Energy: 1.181424024191014
Energy: 1.1488123017963148
Energy: 1.4931215369858515
Energy: 1.1465787178398075
Energy: 1.1483449417507816
Energy: 1.148324556848082
Energy: 1.1442689906967107
Energy: 1.1454097301266033
Energy: 1.3341319237988094
Energy: 1.1476207675989598
Energy: 1.1468053723005216
Energy: 1.3332239290882693
Energy: 1.3778076521536373
Energy: 1.1425980881243831
Energy: 1.148876767392225
Energy: 1.1495294281894501
Energy: 1.1481627807309793
Energy: 1.3778316754461404
Energy: 1.4836821585854485
Energy: 1.181120951601475
Energy: 1.4938671895387363
Energy: 1.3304568608080496
Energy: 1.180330922358846
Energy: 1.488278592499725
Energy: 1.376528719394171
Energy: 1.1460867970415551
Energy: 1.4965298853296802
Energy: 1.4898963324238905
Energy: 1.1489065196678103
Energy: 1.4981571797282558
Energy: 1.3752726103126645
Energy: 1.1437250562159313
Energy: 1.3763965880508369
Energy: 1.3303377098495595
Energy: 1.1482016136947915
Energy: 1.3725685099929934
Energy: 1.330553954092577
Energy: 1.1487270235891804
Energy: 1.3324044266210953
Energy: 1.3500266169448958
Energy: 1.5633453026260427
Energy: 1.3301608521300554
Energy: 1.3290339379022107
Energy: 1.1502852607898089
Energy: 1.3295946052885377
Energy: 1.3781190183723466
Energy: 1.142445432406896
Energy: 1.1467935449053785
Energy: 1.331588745224832
Energy: 1.1478160848056393
Energy: 1.3307879194037602
Energy: 1.1485806212053702
Energy: 1.1809241038059193
Energy: 1.4911453487589508
Energy: 1.145516335907572
Energy: 1.1449630298819544
Energy: 1.3291146235607223
Energy: 1.1806436457988632
Energy: 1.1428975789193432
Energy: 1.486714913589066
Energy: 1.1470183528826536
Energy: 1.1510546585627317
Energy: 1.1812509627529681
Energy: 1.3771622393453409

minimum gb energy = 1.142445432406896 eV
minimum distance =  2.25540335156063 Angstroms
sigma value = 11


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

Energy: 1.0439868959270693
Energy: 1.3726913557733997
Energy: 1.0405283321666803
Energy: 1.0415433576010045
Energy: 1.0409527480414076
Energy: 1.3712926647152033
Energy: 1.0438025120022278
Energy: 1.4084234539350735
Energy: 1.0609664808393229
Energy: 1.0814875648626479
Energy: 1.0612053482972532
Energy: 1.4026227799915965
Energy: 1.042587301051005
Energy: 1.4089079921686418
Energy: 1.2617474396891057
Energy: 1.0437926714680494
Energy: 1.2641628822912658
Energy: 1.2574317050404538
Energy: 1.0408105642615422
Energy: 1.2682294631801982
Energy: 1.2620955873695363
Energy: 1.0441126881949627
Energy: 1.2645275258518283
Energy: 1.4103217737101463
Energy: 1.0387712819436699
Energy: 1.267705309814082
Energy: 1.0505375379590534
Energy: 1.0871536292588917
Energy: 1.0500390447294705
Energy: 1.419427575076508
Energy: 1.079960228609984
Energy: 1.2692499927283953
Energy: 1.3959401995259468
Energy: 1.044409516912136
Energy: 1.394954772423269
Energy: 1.0640534466492204
Energy: 1.0415934057660363
Energy: 1.2610746419370635
Energy: 1.409465098997745
Energy: 1.0709388924980034
Energy: 1.4101873087100993
Energy: 1.2461861530364189
Energy: 1.0371711539824127
Energy: 1.2672883273071571
Energy: 1.3999881592848855
Energy: 1.0433632896984149
Energy: 1.403934470872668
Energy: 1.2925760400708797
Energy: 1.0447721934229015
Energy: 1.0621444425548885
Energy: 1.4342657708517959
Energy: 1.0861553105175439
Energy: 1.061762191223999
Energy: 1.0606595531439023
Energy: 1.0410685473609504
Energy: 1.0402052171775347
Energy: 1.044172683412177
Energy: 1.0411646956644036
Energy: 1.0413221160341875
Energy: 1.0420147165339646
Energy: 1.047874887853097
Energy: 1.0406110700397437
Energy: 1.0407197400445853
Energy: 1.2656671771609966
Energy: 1.0414096865786167
Energy: 1.0420869961791273
Energy: 1.0411344657027264
Energy: 1.0396253932676491
Energy: 1.4330559997921548
Energy: 1.081376787688567
Energy: 1.3747684088667327
Energy: 1.0402159571349427
Energy: 1.042808911379493
Energy: 1.0433849154015278
Energy: 1.40013353113993
Energy: 1.04220423373484
Energy: 1.0613367989949958
Energy: 1.0417107012388134
Energy: 1.0432294371921493
Energy: 1.0412925126511703
Energy: 1.3648584728765354
Energy: 1.5198353262170285
Energy: 1.2092132098522446
Energy: 1.041514280624795
Energy: 1.086671367048997
Energy: 1.0653833440980067
Energy: 1.4099592344967091
Energy: 1.0890129472348251
Energy: 1.3688109056667175
Energy: 1.0856526846689327
Energy: 1.082871850417915
Energy: 1.2654945474497774
Energy: 1.3774548962275708
Energy: 1.0877278494769753
Energy: 1.3807168663878366
Energy: 1.2644093161864358
Energy: 1.1269827725705293
Energy: 1.2614115961798464
Energy: 1.4067183862337298
Energy: 1.04228953675611
Energy: 1.4082104374700413
Energy: 1.2460374423173033
Energy: 1.0820994272256186
Energy: 1.050905028730063
Energy: 1.403073544570185
Energy: 1.0393442266036097
Energy: 1.400046447659965
Energy: 1.0611503736812593
Energy: 1.0407758599094532
Energy: 1.40134070028274
Energy: 1.266147036650183
Energy: 1.0816444475894658
Energy: 1.2684860762635037
Energy: 1.3828374068938798
Energy: 1.050380694795555
Energy: 1.4062805267848162
Energy: 1.259640217109139
Energy: 1.0403409419759084
Energy: 1.2602456200791825
Energy: 1.2676526344284973
Energy: 1.0826847810511064
Energy: 1.4076831768198124
Energy: 1.2611126957880447
Energy: 1.0365210078980693
Energy: 1.264042121783216
Energy: 1.2589205463301503
Energy: 1.0447046329776712
Energy: 1.0640208285245367
Energy: 1.0606764681195184
Energy: 1.0871739602200345
Energy: 1.0627828837857987
Energy: 1.4103212507295315
Energy: 1.0493166496775845
Energy: 1.2105778816257604
Energy: 1.2099355087662564
Energy: 1.0427958667763442
Energy: 1.2098183350219072
Energy: 1.071007734853521
Energy: 1.0411608540860313
Energy: 1.0404033754643964
Energy: 1.0413318055462095
Energy: 1.044797171488251
Energy: 1.0450356849712612
Energy: 1.3961140257154354
Energy: 1.0442990452360297
Energy: 1.4243189129516844
Energy: 1.0396033585806803
Energy: 1.0397122898181934
Energy: 1.0390940827261967
Energy: 1.4329286323464983
Energy: 1.037979424913828
Energy: 1.0408024279254549
Energy: 1.042817298832714
Energy: 1.039341612234238
Energy: 1.042397391335072
Energy: 1.0472931050583019

minimum gb energy = 1.0365210078980693 eV
minimum distance =  2.27550483693486 Angstroms
sigma value = 41


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

Energy: 1.0023375782881594
Energy: 1.2441997032019898
Energy: 1.0006764831983763
Energy: 1.0004810572968812
Energy: 1.0004397570085901
Energy: 1.2773246932931466
Energy: 1.269891646182555
Energy: 1.0171491617856596
Energy: 1.0191629697119746
Energy: 1.000437871625989
Energy: 1.0176906819173732
Energy: 1.192790241416561
Energy: 1.1140851082089176
Energy: 1.314376992411901
Energy: 0.9995695903828414
Energy: 1.1404436447324469
Energy: 0.9994676364067908
Energy: 1.001757128525903
Energy: 0.9980469274528107
Energy: 1.1933234956566352
Energy: 0.9996338152507585
Energy: 1.1403385128797319
Energy: 0.9994050646885154
Energy: 1.308027566173329
Energy: 0.9970219690192269
Energy: 1.193000233257043
Energy: 0.999635177794854
Energy: 1.1401699579997417
Energy: 1.1926789279136925
Energy: 1.307849497597219
Energy: 1.198673504768718
Energy: 1.3244325415314928
Energy: 1.3085039969155954
Energy: 1.0165085211904819
Energy: 1.3159647570133262
Energy: 1.320110297494178
Energy: 1.1379966151313115
Energy: 1.3168034475969272
Energy: 1.3292762974960455
Energy: 1.1392351019469105
Energy: 1.3290471045359364
Energy: 1.3093015726403119
Energy: 1.2706044843831559
Energy: 1.328499007698385
Energy: 1.3125372755057456
Energy: 1.1556249921467416
Energy: 1.322648959944543
Energy: 1.3247550204186775
Energy: 1.017907639859804
Energy: 1.3012839123774655
Energy: 1.3127558231746002
Energy: 1.003937216835997
Energy: 1.3122340752548933
Energy: 1.332668922779617
Energy: 1.1408953000538218
Energy: 1.0028650724694794
Energy: 1.194922919629934
Energy: 1.2716048634342498
Energy: 1.1949806610110065
Energy: 1.0176075034517917
Energy: 1.1403944673950317
Energy: 1.1931374613535055
Energy: 1.195163387182582
Energy: 1.138633852432735
Energy: 1.1947683565612413
Energy: 0.9999757641519994
Energy: 1.1395187484978926
Energy: 0.9996532901847013
Energy: 0.9999647420871516
Energy: 1.3329594346056104
Energy: 1.1928687196836119
Energy: 0.9996276920990934
Energy: 1.0013111622360833
Energy: 0.9999876292903123
Energy: 0.9990157075826944
Energy: 1.049115841861918
Energy: 1.0001240768784607
Energy: 0.9996127150497587
Energy: 1.0002603146167799
Energy: 0.9993718214998802
Energy: 1.1894552120932704
Energy: 1.4702634143747961
Energy: 0.9995379035113773
Energy: 0.9994305995647319
Energy: 0.9998558617212595
Energy: 0.9996606010432829
Energy: 1.0186876917753498
Energy: 1.1947475105828957
Energy: 1.0172082716792759
Energy: 1.000444290013182
Energy: 0.9992021613575297
Energy: 1.0000485381529196
Energy: 1.0170308289890326
Energy: 1.1948639636811882
Energy: 1.3017256954874865
Energy: 0.9999805970334674
Energy: 0.9992602215760267
Energy: 0.999584537099613
Energy: 0.997353497351839
Energy: 1.2697360923165004
Energy: 0.9996735630791164
Energy: 0.9992961251518001
Energy: 1.0013577803336964
Energy: 1.0001343535655436
Energy: 1.1988131028896136
Energy: 1.000356597225899
Energy: 1.0008924053775259
Energy: 1.001075469710655
Energy: 1.1401472625799072
Energy: 0.9996374942138316
Energy: 1.3169094706599633
Energy: 0.9992041800759933
Energy: 1.1927617658829595
Energy: 0.9994609204740008
Energy: 1.1412025461637088
Energy: 0.9996975055588614
Energy: 1.1944465813388796
Energy: 0.9974955267184904
Energy: 1.1933057354008496
Energy: 0.9994968777757298
Energy: 1.1400508520369719
Energy: 1.0021010507686035
Energy: 1.3176278494998905
Energy: 0.99907177428498
Energy: 1.193003192301251
Energy: 1.0169891066970973
Energy: 1.0178516759323843
Energy: 1.300451760507251
Energy: 1.3212954174324807
Energy: 1.055052470111307
Energy: 1.3023444391452412
Energy: 1.300948786818785
Energy: 1.4813560888802033
Energy: 1.3278491225923414
Energy: 1.301449433459436
Energy: 1.1560895352649943
Energy: 1.311351821381066
Energy: 1.3342288351547047
Energy: 1.1386746871710076
Energy: 1.3166860596256822
Energy: 1.3289978659024018
Energy: 1.2690068821077907
Energy: 1.3231539456942898
Energy: 1.316728701057067
Energy: 1.1136966724153863
Energy: 1.342637166487991
Energy: 1.3091905031735522
Energy: 1.1374742482006768
Energy: 1.3207962287180746
Energy: 1.324297891147018
Energy: 1.1385870689267914
Energy: 1.1947008778694548
Energy: 0.9993512428419419
Energy: 1.0006296579984602
Energy: 1.1928944535234847
Energy: 1.1940755878419465
Energy: 1.271481082500374
Energy: 1.1950652278984317
Energy: 0.999430710736653
Energy: 1.1399607984169862
Energy: 0.9994163020612266
Energy: 1.194831297121286
Energy: 1.1146711787961732
Energy: 0.9992861138023383
Energy: 0.9996339723338693
Energy: 1.1401076961362642
Energy: 1.1934433790862466
Energy: 1.314973976455638
Energy: 1.0156780807589332
Energy: 1.017280671745614
Energy: 1.0179226474529268
Energy: 1.0548502791316634
Energy: 1.017898865274613
Energy: 1.1934544388698904
Energy: 1.8785753006174175
Energy: 0.9994550966641059
Energy: 1.0002599073292928
Energy: 1.0016969136894054
Energy: 1.000983220301476
Energy: 1.008794521954292
Energy: 1.0156205327664245
Energy: 1.0191568427629014
Energy: 1.001896736455796
Energy: 0.9992150643826998
Energy: 1.0183130027528677
Energy: 1.192256123239767
Energy: 1.1147892547106633
Energy: 0.9993218822820942
Energy: 0.9994316227688882
Energy: 0.9995256032593808
Energy: 0.9996350666132482
Energy: 1.0179182939840508
Energy: 0.9975804870783327
Energy: 1.000291107885053
Energy: 0.9993224575001259
Energy: 0.9995081384564712
Energy: 0.9998861455752625
Energy: 0.9984786776566508

minimum gb energy = 0.9970219690192269 eV
minimum distance =  2.25021493514375 Angstroms
sigma value = 33


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

Energy: 1.709280015690343
Energy: 0.9219161725352133
Energy: 0.9368793342748941
Energy: 0.9376855698579182
Energy: 0.9378073348709429
Energy: 1.1251351322756324
Energy: 1.3469585441820064
Energy: 1.1442726465565
Energy: 0.9369712275475062
Energy: 0.9928640719266678
Energy: 0.9375496958900844
Energy: 1.1588590705417006
Energy: 1.2164683221821249
Energy: 1.137015345073972
Energy: 1.0242475812797767
Energy: 0.9941663653274727
Energy: 1.0388220509617847
Energy: 1.1377713133660432
Energy: 1.0670294442233077
Energy: 1.0380417057009663
Energy: 0.9172435644263797
Energy: 0.9957196157644196
Energy: 1.0240410056044789
Energy: 1.1405724098332435
Energy: 1.0649279647147574
Energy: 1.038793307267845
Energy: 0.9183125393085043
Energy: 1.0714493393484534
Energy: 1.0251069935570598
Energy: 1.141120428876285
Energy: 1.100307635529896
Energy: 1.14578907203041
Energy: 1.1363144603356887
Energy: 1.0951765005221015
Energy: 1.1318869187318357
Energy: 1.1442086210801428
Energy: 1.0989940176670647
Energy: 1.1739950571723625
Energy: 1.1719805175649318
Energy: 1.0715688373815822
Energy: 1.1829768395971572
Energy: 1.1737550178880451
Energy: 1.219458950855555
Energy: 1.1431367039629845
Energy: 1.1361563527358505
Energy: 1.1523306790233596
Energy: 1.0405761432150842
Energy: 1.14570923744257
Energy: 1.154859924629704
Energy: 1.1728589615620715
Energy: 1.2046959562997643
Energy: 1.1148804593720736
Energy: 1.1724242142039882
Energy: 1.1736373612146782
Energy: 1.0715988682180642
Energy: 1.1750193089242902
Energy: 1.1738915758418316
Energy: 1.298364906498437
Energy: 1.1600830367706663
Energy: 1.1716461386721035
Energy: 1.3449963064680346
Energy: 1.1772983538099193
Energy: 1.1730085550779614
Energy: 1.297799303098224
Energy: 1.1728575858013663
Energy: 1.1726057108331456
Energy: 1.342424651054907
Energy: 1.173517945701937
Energy: 1.1736913548956351
Energy: 1.0407655062796488
Energy: 1.161948469084409
Energy: 1.1720341533879348
Energy: 1.076916316374224
Energy: 1.0425941560693048
Energy: 1.181135094622927
Energy: 1.1726055958102595
Energy: 1.1844827647113643
Energy: 1.0408700645833917
Energy: 1.2083877329520214
Energy: 1.137089415753824
Energy: 1.1460770680850618
Energy: 1.103181123937759
Energy: 1.1435784217451874
Energy: 1.0397574585679605
Energy: 1.0661891127227663
Energy: 1.1716758416326605
Energy: 1.1707795495620223
Energy: 1.1759098468735234
Energy: 1.1712802213702387
Energy: 1.040059582815909
Energy: 1.073407987181378
Energy: 1.0407553451842755
Energy: 1.1490399522061712
Energy: 1.1697917940264158
Energy: 1.1338906905204469
Energy: 1.0396697934759966
Energy: 0.9972303732250638
Energy: 0.9170658019507476
Energy: 1.1467125425861746
Energy: 1.2172402458527387
Energy: 1.0384106824341865
Energy: 0.9232190017125144
Energy: 0.9939142918198114
Energy: 1.0385291659207163
Energy: 1.050060128388507
Energy: 1.1697391203272
Energy: 1.0386031550616315
Energy: 1.0246910198297219
Energy: 0.9924289408969554
Energy: 1.0230861275034433
Energy: 1.135769662149724
Energy: 1.1433965353824644
Energy: 1.1370666090738715
Energy: 1.02698411337884
Energy: 0.9957172619037277
Energy: 0.917917527368542
Energy: 0.9197413403407483
Energy: 1.173349976944917
Energy: 0.9179543981834721
Energy: 0.9173621271752781
Energy: 0.9181197559918556
Energy: 0.9180217068736969
Energy: 1.03641715189152
Energy: 1.1524360478823032
Energy: 0.9172677538925613
Energy: 0.916412720837556
Energy: 0.922269698633142
Energy: 0.9178876024425485
Energy: 1.1342297774285546
Energy: 1.1739541710248247
Energy: 0.9181739893251898
Energy: 0.9181830496354481
Energy: 0.9180718802392316
Energy: 0.9180106085763002
Energy: 1.0396385268476134
Energy: 1.1722939790369018
Energy: 1.125709042957456
Energy: 0.9185473399980912
Energy: 0.9199307982102838
Energy: 0.9166047536555212
Energy: 1.1454802413305922
Energy: 1.179022837027687
Energy: 0.9179431274832467
Energy: 0.9163597709608224
Energy: 0.9929482061745107
Energy: 0.9175443294344734
Energy: 1.0365282722260771
Energy: 1.1425522843283775
Energy: 0.9190736949602111
Energy: 0.9942186490003504
Energy: 0.9953821931933741
Energy: 1.0239259543198274
Energy: 1.1365305923371631
Energy: 1.2000227734904931
Energy: 1.1376621665298534
Energy: 0.9186179789838104
Energy: 0.9972865354307859
Energy: 1.0255876417699124
Energy: 1.0388032201778095
Energy: 1.1941666492878595
Energy: 1.0384203758541342
Energy: 0.9199223302740904
Energy: 1.0715589213810497
Energy: 0.9171898830529065
Energy: 1.1402607729017948
Energy: 1.1960129107374446
Energy: 1.0389426134994069
Energy: 0.9181187106881011
Energy: 1.0953911434446024
Energy: 1.13755212965292
Energy: 1.1455008469762031
Energy: 1.1734469053231023
Energy: 1.0369865263373195
Energy: 1.0397186355059882
Energy: 1.0836631892811905
Energy: 1.1792138140346191
Energy: 1.1719889416774607
Energy: 1.1752145558524252
Energy: 1.1722885399077565
Energy: 1.1740179516014853
Energy: 1.2096923461223978
Energy: 1.1373127535800809
Energy: 1.1441112717149493
Energy: 1.0680039535148473
Energy: 1.1345062603370775
Energy: 1.0392872961870254
Energy: 1.0715673310776328
Energy: 1.0424808617693726
Energy: 1.1726989515304638
Energy: 1.1734269444735812
Energy: 1.1726156417604585
Energy: 1.0404958837232556
Energy: 1.257946694429305
Energy: 1.17489443050808
Energy: 1.1747034200194455
Energy: 1.0421352517791078
Energy: 1.1737887481044902
Energy: 1.1741717542973709
Energy: 1.2580099458310574
Energy: 1.1746248347386663
Energy: 1.1742785138161074
Energy: 1.3432174461604574
Energy: 1.1751387474231956
Energy: 1.1734611221419755
Energy: 1.068535563903633
Energy: 1.1742898980081184
Energy: 1.1747118094961473
Energy: 1.3437289314528933
Energy: 1.1756548525753876
Energy: 1.1737536029223101
Energy: 1.2372909340587388
Energy: 1.172279260513835
Energy: 1.1372075922358573
Energy: 1.1135763396982679
Energy: 1.1713323905273019
Energy: 1.1725063368330735
Energy: 1.4466562044620612
Energy: 1.1433133142683132
Energy: 1.0400069738790814
Energy: 1.1521175663230458
Energy: 1.0394243473803926
Energy: 1.174268576344446
Energy: 1.1025168604911875
Energy: 1.172420117138479
Energy: 1.1754842327018444
Energy: 1.0663202412095105
Energy: 1.1755806488373257
Energy: 1.1724171861393404
Energy: 1.210923859058644
Energy: 1.1439277213254622
Energy: 1.0412643392999164
Energy: 1.0952207867858765
Energy: 1.0392764457224413
Energy: 1.1445806046260885
Energy: 1.068670346260595
Energy: 1.0382032478564331
Energy: 0.917587107899599
Energy: 1.0707401750239085
Energy: 1.0241630141151854
Energy: 1.1682366046503652
Energy: 1.1480254146499016
Energy: 1.0386329949664839
Energy: 1.024649863871733
Energy: 0.9938737107151624
Energy: 1.0378702635730148
Energy: 1.0399928299165817
Energy: 1.0706880499072804
Energy: 1.1357554436824058
Energy: 1.0242492405622476
Energy: 0.9929816595890217
Energy: 1.024099686844965
Energy: 1.1464439664903572
Energy: 1.2059448927794623
Energy: 0.9192492415379709
Energy: 0.9177174513123869
Energy: 0.9918106759357247
Energy: 0.9204822249613636
Energy: 1.133411655000006
Energy: 1.254377426967863
Energy: 0.9167372785909956
Energy: 0.917147173634632
Energy: 0.9192365836243751
Energy: 0.9172707942183337
Energy: 1.148064771239158
Energy: 1.2189588268441256
Energy: 1.0379135317961912
Energy: 0.916868311808951
Energy: 0.9173245005964256
Energy: 1.0219525942445091
Energy: 1.1359486578992577
Energy: 1.1054451123855968
Energy: 1.1283248722573207
Energy: 0.9172777840272707
Energy: 0.9170690102428822
Energy: 0.9181702412244237
Energy: 1.0404189790058753
Energy: 1.3394705299461513
Energy: 0.9168013151661303
Energy: 0.9162055700211456
Energy: 0.9200811435452536
Energy: 0.9162843567306099
Energy: 1.1384755803034272

minimum gb energy = 0.9162055700211456 eV
minimum distance =  2.28120214035793 Angstroms
sigma value = 67


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

Energy: 0.3843845865628268
Energy: 0.361855713404769
Energy: 0.4821424858794044
Energy: 0.4840022249236861
Energy: 0.482645018096705
Energy: 0.3621444200398788
Energy: 0.34699065717061994
Energy: 0.48187229271369697
Energy: 0.48429530831087947
Energy: 0.483951747904042
Energy: 0.4821863375108254
Energy: 0.48417608559145325
Energy: 1.441956543478443
Energy: 0.48351611467746025
Energy: 0.48355606219323444
Energy: 0.48175947370799954
Energy: 0.4835946495040662
Energy: 0.48405155101628106
Energy: 0.34659603727683796
Energy: 0.4834045699935747
Energy: 0.4809088353191985
Energy: 0.48453261833491745
Energy: 0.4833705038235179
Energy: 0.34598134150868975
Energy: 0.34577034344542934
Energy: 0.4826029711328748
Energy: 0.4824887905526327
Energy: 0.4838986777147726
Energy: 0.4826592306798476
Energy: 0.3461658932373242
Energy: 1.446773616223341
Energy: 0.4835251220164944
Energy: 0.4840418195455367
Energy: 0.4845252870953074
Energy: 0.48395462929756405
Energy: 0.48397578975510513
Energy: 0.3457083439277236
Energy: 0.4843408089242271
Energy: 0.48476846953544145
Energy: 0.4819809753427394
Energy: 0.4815270608594515
Energy: 0.48382179214626153

minimum gb energy = 0.3457083439277236 eV
minimum distance =  2.35429905460006 Angstroms
sigma value = 3


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

Energy: 1.3509857486761128
Energy: 0.9083465886688077
Energy: 0.9174031876318582
Energy: 1.0027960721329747
Energy: 0.9953880571695722
Energy: 1.193798596265419
Energy: 1.5552465640647193
Energy: 1.0435898868938596
Energy: 0.9075769795104469
Energy: 0.9078811479447487
Energy: 0.908366157343918
Energy: 1.0422966662784354
Energy: 1.4154129009903018
Energy: 0.9086263071995264
Energy: 0.9124213096048881
Energy: 0.9129633825536002
Energy: 0.9132407795297902
Energy: 0.9104326104949267
Energy: 1.147230882735218
Energy: 0.9113645080457778
Energy: 0.9073284076094548
Energy: 0.9136863584738779
Energy: 0.9069678206914731
Energy: 0.9858080878346456
Energy: 1.2767035862542613
Energy: 0.9078398275860433
Energy: 0.9555196818509718
Energy: 0.9158327044397667
Energy: 0.9075815523344765
Energy: 0.9805552919692765
Energy: 1.4158048276343809
Energy: 0.9786248637730276
Energy: 0.9063152454800798
Energy: 1.0036139219452258
Energy: 0.9072173906793594
Energy: 1.0607199767862854
Energy: 1.22672011623315
Energy: 1.041973897929257
Energy: 1.0180601934488813
Energy: 0.9926431175745926
Energy: 1.041389337026806
Energy: 1.0416880103194772
Energy: 1.1571854950133276
Energy: 1.0669585084826587
Energy: 1.0423345283306393
Energy: 1.0033216301649148
Energy: 1.0425086251711773
Energy: 1.202702130711695
Energy: 1.252755717954129
Energy: 0.9207934925717508
Energy: 1.0219682541396473
Energy: 1.207929291084576
Energy: 0.9091138028618841
Energy: 1.1946372487157062
Energy: 1.541984555293182
Energy: 1.0618147117888903
Energy: 1.1303658960442302
Energy: 1.077122196265169
Energy: 1.0431224375446981
Energy: 1.1960851540870503
Energy: 1.0354415647479223
Energy: 1.212140496768298
Energy: 1.1912545079581551
Energy: 1.1505570774827156
Energy: 1.1949024409408575
Energy: 1.2074368067250523
Energy: 1.0372747624126548
Energy: 1.1965679256939343
Energy: 1.191093868600256
Energy: 1.2105711540424438
Energy: 1.1937435357776798
Energy: 1.2084979569979735
Energy: 1.1124880898789529
Energy: 1.1924482433780588
Energy: 1.1880671280509907
Energy: 1.1455330530222705
Energy: 1.1900694017387798
Energy: 1.2092899557951864
Energy: 1.3206556847394946
Energy: 1.2088607387321453
Energy: 1.2122766400894736
Energy: 1.2207103280620104
Energy: 1.207975246673315
Energy: 1.212825986133598
Energy: 1.3890673284139083
Energy: 1.210774141790668
Energy: 1.2108588598679384
Energy: 1.149549777852777
Energy: 1.2211415496898692
Energy: 1.2134256332346913
Energy: 1.3525912509964109
Energy: 1.2193856756337833
Energy: 1.2094826601147686
Energy: 1.0809700438449386
Energy: 1.213859253994434
Energy: 1.212434839021728
Energy: 1.2232088045328415
Energy: 1.2114725917575442
Energy: 1.2126125407778046
Energy: 1.209095857567838
Energy: 1.2116500707998974
Energy: 1.1960290165062275
Energy: 1.1158549978568157
Energy: 1.1395410165710247
Energy: 1.2080902035385983
Energy: 1.2161653776389734
Energy: 1.1379560187185593
Energy: 1.185783660963588
Energy: 1.114360945386599
Energy: 1.1468156339345723
Energy: 1.1678218631324206
Energy: 1.2129004323208503
Energy: 1.1524688573942048
Energy: 1.1884766633557902
Energy: 1.113682053012478
Energy: 1.1476936408255272
Energy: 1.1679207684959145
Energy: 1.2111175365691709
Energy: 1.1514481580404965
Energy: 1.140823370331829
Energy: 1.115875627741489
Energy: 1.108751453920367
Energy: 1.1318019658783747
Energy: 1.2095758652839912
Energy: 1.1331789827040144
Energy: 1.110796035219842
Energy: 1.2294489985703367
Energy: 1.0829487930766628
Energy: 1.1709709090635085
Energy: 1.2163552281520602
Energy: 1.0411149195190217
Energy: 1.1141095817138575
Energy: 1.0383911925162401
Energy: 1.1107358912438783
Energy: 1.1290895250234994
Energy: 1.4392312391142148
Energy: 1.1100044225566197
Energy: 1.1109313766906295
Energy: 1.033352828769812
Energy: 1.0829966238232387
Energy: 1.171635566586571
Energy: 1.1918618288270706
Energy: 1.0860410300018615
Energy: 1.0335774531676467
Energy: 1.0349824094778206
Energy: 0.9084054778337801
Energy: 1.1046208453372264
Energy: 1.201678494880236
Energy: 0.9074222905905333
Energy: 1.0385847467065994
Energy: 0.9531317898410004
Energy: 0.901585758935084
Energy: 0.9033280681906498
Energy: 1.250499138976683
Energy: 0.9025889730975328
Energy: 0.9493898736028662
Energy: 0.9506905494762828
Energy: 0.9013382293121112
Energy: 0.9023768387856471
Energy: 1.2374423238752112
Energy: 0.9032186253019843
Energy: 0.9510261827491392
Energy: 0.963315720090654
Energy: 0.9037424819560668
Energy: 0.907654468690684
Energy: 1.1993747165756061
Energy: 0.9097012022380916
Energy: 0.953957286865232
Energy: 0.9453536478090161
Energy: 0.9459036824719866
Energy: 1.1732322892705949
Energy: 1.206933687843617
Energy: 0.9072541780422806
Energy: 0.9485358414456325
Energy: 1.0025349149411609
Energy: 0.9853651927641157
Energy: 1.1799903291578786
Energy: 1.148168243139457
Energy: 0.980804536668126
Energy: 0.9868305091795271
Energy: 1.0115925354675053
Energy: 0.9029162599326854
Energy: 1.1712226072441498
Energy: 1.2000613180048216
Energy: 1.0493628396316663
Energy: 0.9796140095200113
Energy: 1.0278733533970827
Energy: 0.9886937149011279
Energy: 0.9770494741764107
Energy: 1.1954524718503792
Energy: 0.9887890219857961
Energy: 0.9862186250937146
Energy: 1.0138608753097715
Energy: 0.9896296666889558
Energy: 1.0065297442951702
Energy: 1.0964952270024915
Energy: 0.9902599161590205
Energy: 0.9903152889505599
Energy: 1.1503054358189904
Energy: 0.9885681692699403
Energy: 0.990426438223725
Energy: 1.2184733033200594
Energy: 0.9895816230709995
Energy: 1.045026033429861
Energy: 1.1032791664491115
Energy: 0.9885294350135051
Energy: 1.178069970020935
Energy: 1.214883674188183
Energy: 0.988508741527518
Energy: 1.044955053628707
Energy: 1.1045033432196818
Energy: 1.192008487607972
Energy: 1.2021961541741673
Energy: 1.2119003096458225
Energy: 1.189739520708682
Energy: 1.187246525585212
Energy: 1.1412803627340422
Energy: 1.1927209999091337
Energy: 1.2069500095256205
Energy: 1.0371911167418424
Energy: 1.2085511587189568
Energy: 1.1946022552723903
Energy: 1.0470106761317
Energy: 1.005694276233611
Energy: 1.1931318668572097
Energy: 1.3035839488573462
Energy: 1.0092467267355418
Energy: 1.1903880910758182
Energy: 1.1668244607337332
Energy: 1.2121700519009375
Energy: 1.207993687595431
Energy: 1.3052650566155435
Energy: 1.2097824313188557
Energy: 1.1935351235399212
Energy: 1.1062186189127377
Energy: 1.213847803554901
Energy: 1.21073228891587
Energy: 1.145032986150578
Energy: 1.2066500670922842
Energy: 1.2082738387075236
Energy: 1.0501923160719826
Energy: 1.2116767705830256
Energy: 1.2111288039368564
Energy: 1.304954157273068
Energy: 1.2198816863286293
Energy: 1.211165755115467
Energy: 1.0516610368074804
Energy: 1.2104249922421253
Energy: 1.2111656804869222
Energy: 1.2780846221367883
Energy: 1.2207987154267976
Energy: 1.2125510719868577
Energy: 1.1601560597274496
Energy: 1.2074482010824301
Energy: 1.1917185667050205
Energy: 1.152499853496125
Energy: 1.1987036106392377
Energy: 1.2072161862878534
Energy: 1.5410837252434098
Energy: 1.1919852125786197
Energy: 1.1904554969588315
Energy: 1.0768439023567382
Energy: 1.1938060495581515
Energy: 1.086745301698527
Energy: 1.1375877398075058
Energy: 1.1989015078717509
Energy: 1.2024204726606624
Energy: 1.2031005163382549
Energy: 1.1974475974300463
Energy: 1.210603140547902
Energy: 1.6621559422212084
Energy: 1.187557471778515
Energy: 1.188875398058607
Energy: 1.0450322933151532
Energy: 1.1915586679244885
Energy: 1.2031918300956281
Energy: 1.2586138355774121
Energy: 1.113340781823838
Energy: 1.0412985280629314
Energy: 1.0800895075772734
Energy: 1.0437282417317482
Energy: 1.2198087364551
Energy: 1.1463420681515475
Energy: 1.067226939104666
Energy: 1.0906383939098814
Energy: 1.003975879306273
Energy: 1.0417395712520643
Energy: 1.1406754789809723
Energy: 1.1356156083890225
Energy: 1.0420079939740503
Energy: 1.04281366693595
Energy: 0.9938703786328288
Energy: 1.0432281203139178
Energy: 1.137813974117112
Energy: 1.520406426597383
Energy: 0.9075668096880792
Energy: 0.9123376857653848
Energy: 1.0027245670001061
Energy: 0.9092673544162552
Energy: 1.0450919143725528
Energy: 1.2403112950094795
Energy: 1.0435859922586146
Energy: 0.9063977339734545
Energy: 1.0014808574682432
Energy: 0.9071429608632645
Energy: 1.0549761730257714

minimum gb energy = 0.9013382293121112 eV
minimum distance =  2.23960728508497 Angstroms
sigma value = 81


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

Energy: 1.411360801712051
Energy: 1.0157396843923394
Energy: 1.0060377521274357
Energy: 1.0049508250755568
Energy: 1.0060875814431307
Energy: 1.3553074263269904
Energy: 1.0117284503534734
Energy: 1.1872933762152975
Energy: 1.0035722723380842
Energy: 1.0044512152338112
Energy: 1.0043659542549412
Energy: 1.187344263603154
Energy: 1.4033487867373005
Energy: 1.0049991295117287
Energy: 1.0081884345133567
Energy: 1.0067733839624775
Energy: 1.0085728805647027
Energy: 1.004575216553671
Energy: 1.008903446882082
Energy: 1.006536433116654
Energy: 1.007847162370052
Energy: 1.0104026157390535
Energy: 1.0087798467946114
Energy: 1.352406575771572
Energy: 1.008278455866663
Energy: 1.0055597861604015
Energy: 1.0061221529704514
Energy: 1.0154215152829433
Energy: 1.006373807534507
Energy: 1.1989114751596484
Energy: 1.403304523184211
Energy: 1.005590329779812
Energy: 1.004193425545912
Energy: 1.0169380658283504
Energy: 1.0048366073939738
Energy: 1.201766274516318
Energy: 1.0039428154929055
Energy: 1.2001391129147123
Energy: 1.1894244468622894
Energy: 1.0175963599463935
Energy: 1.0152352818712052
Energy: 1.2033480440027882
Energy: 1.0081480406590795
Energy: 1.2020085399779488
Energy: 1.1879020849498756
Energy: 1.0040760818941308
Energy: 1.1848080634686307
Energy: 1.3542327863731756
Energy: 1.0052852889063524
Energy: 1.0218925773200949
Energy: 1.1868487262358534
Energy: 1.0101575252842716
Energy: 1.1877990299616
Energy: 1.0174645491267058
Energy: 1.1560634741428137
Energy: 1.201286820778874
Energy: 1.191289294624223
Energy: 1.189932546581714
Energy: 1.2029976291208018
Energy: 1.362527737650436
Energy: 1.007731282764052
Energy: 1.2021582609605606
Energy: 1.3533588624901824
Energy: 1.0121972207441858
Energy: 1.3574252971981469
Energy: 1.3543039772764545
Energy: 1.1535481854133198
Energy: 1.3547173663430487
Energy: 1.3541975312022636
Energy: 1.006796115735636
Energy: 1.3546016630897773
Energy: 1.360747919544089
Energy: 1.020889570688837
Energy: 1.3535751919485302
Energy: 1.3554215246699852
Energy: 1.0059719307623483
Energy: 1.3532725091216755
Energy: 1.359132261550997
Energy: 1.0040905176795905
Energy: 1.2010720901368586
Energy: 1.3577768994212214
Energy: 1.2097794573113754
Energy: 1.200025799806747
Energy: 1.189237713680251
Energy: 1.0044273214041048
Energy: 1.1893373204271838
Energy: 1.5441962139825547
Energy: 1.191574693768568
Energy: 1.1872921936178586
Energy: 1.1893555858812672
Energy: 1.0041530914652996
Energy: 1.1875903145762214
Energy: 1.3521695037321568
Energy: 1.0079157023545677
Energy: 1.187102447922372
Energy: 1.1865630920753618
Energy: 1.0179772798622755
Energy: 1.1871606692908994
Energy: 1.218212970229961
Energy: 1.2031853032666178
Energy: 1.1868014413287837
Energy: 1.0053738874861695
Energy: 1.0172312883558972
Energy: 1.0044907978622906
Energy: 1.0050497471465532
Energy: 1.4024107839370032
Energy: 1.004482517746579
Energy: 1.0164437324632667
Energy: 1.015473404928187
Energy: 1.0069497645305092
Energy: 1.0024265399580037
Energy: 1.0052283465610834
Energy: 1.007706179955653
Energy: 1.0162095391247
Energy: 1.0085384808622486
Energy: 1.0076631368577291
Energy: 1.0029227629602784
Energy: 1.0051162875349933
Energy: 1.0094680458057734
Energy: 1.007082529575613
Energy: 1.0071253883777154
Energy: 1.0065858577060556
Energy: 1.2048749869002104
Energy: 1.3647081685815172
Energy: 1.0090686000414093
Energy: 1.0066307316428456
Energy: 1.0038486631866368
Energy: 1.0049864924302185
Energy: 1.185251686938002
Energy: 1.360545618933846
Energy: 1.0045088190032985
Energy: 1.0043817816234966
Energy: 1.0064693704379106
Energy: 1.004931047399489
Energy: 1.3516403915698445
Energy: 1.0182397021751035
Energy: 1.0058553300301958
Energy: 1.004635243387404
Energy: 1.0173990050480448
Energy: 1.0041670156031575
Energy: 1.1865996314478071
Energy: 1.3589883736015342
Energy: 1.0049064037574966
Energy: 1.0167206169090819
Energy: 1.0148795345327946
Energy: 1.0074654038718842
Energy: 1.0056764165184422
Energy: 1.3689868746909508
Energy: 1.011204623832264
Energy: 1.0169636532516322
Energy: 1.0049945387062567
Energy: 1.1858773388369253
Energy: 1.2011983860561142
Energy: 1.010726304725007
Energy: 1.201439260176731
Energy: 1.1871564483861705
Energy: 1.00622998256583
Energy: 1.1857755892367545
Energy: 1.2034573876095247
Energy: 1.0041289144902927
Energy: 1.20321456587286
Energy: 1.189289402828062
Energy: 1.0123805579574412
Energy: 1.016150758106646
Energy: 1.2011109522338905
Energy: 1.0054549308299072
Energy: 1.186698861019302
Energy: 1.1940857907469429
Energy: 1.002995385287629
Energy: 1.354680020891738
Energy: 1.3538601563417927
Energy: 1.3588051610464997
Energy: 1.3525910634817773
Energy: 1.3504294973707525
Energy: 1.015140875773782
Energy: 1.425652200107792
Energy: 1.3554290887527667
Energy: 1.0230468294634243
Energy: 1.2268229004602718
Energy: 1.4273571432539576
Energy: 1.012931951478338
Energy: 1.3547948073085467
Energy: 1.4115675030441348
Energy: 1.004254979586696
Energy: 1.4133399318090853
Energy: 1.3439287617309155
Energy: 1.0034712983185532
Energy: 1.3588228867154497
Energy: 1.3560012115284434
Energy: 1.0047873615718448
Energy: 1.3506662231966442
Energy: 1.3597673098779448
Energy: 1.005451417385077
Energy: 1.203807363493214
Energy: 1.1879608282266334
Energy: 1.0039047956995608
Energy: 1.1866334998957735
Energy: 1.3671902870283628
Energy: 1.006563522452314
Energy: 1.2020942299796913
Energy: 1.1882392007496942
Energy: 1.00501079911898
Energy: 1.1865460264573018
Energy: 1.3491179336314951
Energy: 1.0060452733700893
Energy: 1.2026349890211068
Energy: 1.1869639319692575
Energy: 1.0047716466338643
Energy: 1.1863183414799514
Energy: 1.3484056682788153
Energy: 1.404557784206463
Energy: 1.0060087751763285
Energy: 1.0152381047785246
Energy: 1.014988635861066
Energy: 1.0093403554547433
Energy: 1.2047407761657285
Energy: 1.403071739963243
Energy: 1.1887543535758174
Energy: 1.00451297594503
Energy: 1.017620458119042
Energy: 1.004145607582606
Energy: 1.0049541715216634
Energy: 1.0114471461244483
Energy: 1.0090546894792831
Energy: 1.0046021832008618
Energy: 1.0053088043702643
Energy: 1.010112315708365
Energy: 1.3541664667534912

minimum gb energy = 1.0024265399580037 eV
minimum distance =  2.27279843121496 Angstroms
sigma value = 43


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

Energy: 1.0703606307226745
Energy: 1.0858727713174439
Energy: 1.073481841419454
Energy: 1.0737229394763748
Energy: 1.073370544026727
Energy: 1.4836304832836846
Energy: 1.0618176451397923
Energy: 1.0793717440806372
Energy: 1.071547061981852
Energy: 1.0704079454198825
Energy: 1.071295878011107
Energy: 1.3022454615502281
Energy: 1.0703586780847454
Energy: 1.069686930040598
Energy: 1.0702034131685563
Energy: 1.0702740226288991
Energy: 1.0712399936381842
Energy: 1.5688306270501071
Energy: 1.0611817580983172
Energy: 1.0727476990613038
Energy: 1.0718356046381248
Energy: 1.071949108463605
Energy: 1.0715855121109272
Energy: 1.4709492394060872
Energy: 1.0614616228925309
Energy: 1.0735125193999373
Energy: 1.0700678945796613
Energy: 1.0732808142538233
Energy: 1.0703976359896543
Energy: 1.4706182043337084
Energy: 1.0695742896535667
Energy: 1.0732848907201487
Energy: 1.0726792880080547
Energy: 1.0811915997895627
Energy: 1.0732037178488476
Energy: 1.3032803362293617
Energy: 1.0712489173568485
Energy: 1.078630392341736
Energy: 1.2965232762471295
Energy: 1.0665127558184795
Energy: 1.0808017851736846
Energy: 1.472740878764021
Energy: 1.060245956685731
Energy: 1.0770482247583588
Energy: 1.3060847554036037
Energy: 1.0720027425719205
Energy: 1.3056093347136062
Energy: 1.3023816240507962
Energy: 1.0681850622687563
Energy: 1.5831162514200334
Energy: 1.2954382390062227
Energy: 1.0613669101524603
Energy: 1.0882670405063521
Energy: 1.5804356847670173
Energy: 1.0673831876983422
Energy: 1.0776807278085654
Energy: 1.474901364843544
Energy: 1.3011974505844146
Energy: 1.3032118381686293
Energy: 1.4895639343369358
Energy: 1.0674826426258313
Energy: 1.0815806290189434
Energy: 1.488634262824757
Energy: 1.0707267761901182
Energy: 1.0769007839751834
Energy: 1.2957752160301836
Energy: 1.0683320141872503
Energy: 1.2946939259426904
Energy: 1.4728317116084026
Energy: 1.0624634644756579
Energy: 1.0770917315139985
Energy: 1.2971609488549514
Energy: 1.0723452224190677
Energy: 1.2955416176191816
Energy: 1.0629104265413394
Energy: 1.0642640562342638
Energy: 1.0773691806735963
Energy: 1.2955255796552063
Energy: 1.0727245328887887
Energy: 1.0766623106098765
Energy: 1.5774969564021513
Energy: 1.0703317023699226
Energy: 1.0791783999490772
Energy: 1.073493125338486
Energy: 1.0810258047288686
Energy: 1.0725585151024026
Energy: 1.5654957249536186
Energy: 1.3064706381464548
Energy: 1.295495420070928
Energy: 1.0822124295982087
Energy: 1.0680246425631466
Energy: 1.0740795888704047
Energy: 1.4671876260955912
Energy: 1.061975232877062
Energy: 1.077872671135602
Energy: 1.0674268509299545
Energy: 1.069505007691149
Energy: 1.070541996867438
Energy: 1.296714585119996
Energy: 1.0704922517391682
Energy: 1.0710508246926822
Energy: 1.0704057269415888
Energy: 1.0698655505004764
Energy: 1.0688651050651452
Energy: 1.0729856328976226
Energy: 1.5071353309885052
Energy: 1.0745234133388568
Energy: 1.0694163512347
Energy: 1.0715805471424584
Energy: 1.0706329599602808
Energy: 1.0730273770354974
Energy: 1.0609663595116463
Energy: 1.071388189165529
Energy: 1.0707362740574335
Energy: 1.0731078207197038
Energy: 1.0711109489634738
Energy: 1.073784910056085
Energy: 1.0616942503754014
Energy: 1.0722785386148508
Energy: 1.0742455010260141
Energy: 1.0663347348332692
Energy: 1.0727335872441546
Energy: 1.0727310568697719
Energy: 1.4883664043818614
Energy: 1.0748270212260485
Energy: 1.0728385363337667
Energy: 1.0665598249122747
Energy: 1.0782944938075911
Energy: 1.076911912154976
Energy: 1.302460076388649
Energy: 1.0795804228889394
Energy: 1.2966236787085885
Energy: 1.0715538539787308
Energy: 1.3034519803638296
Energy: 1.3019328910150099
Energy: 1.0618069445802023
Energy: 1.3054541633864212
Energy: 1.3042738097768163
Energy: 1.061713178786951
Energy: 1.0796959972868974
Energy: 1.5775454220438034
Energy: 1.0672817361318299
Energy: 1.0771399499855836
Energy: 1.0858319586997076
Energy: 1.067322962250414
Energy: 1.0775113306119757
Energy: 1.4854599053015833
Energy: 1.071663058839462
Energy: 1.2150547360391057
Energy: 1.0910596671467199
Energy: 1.0732326922102764
Energy: 1.473703222612538
Energy: 1.0782227109644613
Energy: 1.0684590662040616
Energy: 1.0784460467610317
Energy: 1.48937982197065
Energy: 1.062531025725068
Energy: 1.472719328229581
Energy: 1.2953457315866366
Energy: 1.0683576185713248
Energy: 1.2942545147516482
Energy: 1.4736458491292617
Energy: 1.0614686431232405
Energy: 1.2152181353432212
Energy: 1.3006431406204302
Energy: 1.071928602639274
Energy: 1.2957310279193321
Energy: 1.4654002306252198
Energy: 1.0704182843731516
Energy: 1.5648514853757358
Energy: 1.0779318059761713
Energy: 1.0727365818115535
Energy: 1.0786710891520515
Energy: 1.5810144888834745
Energy: 1.0679015314687081
Energy: 1.566115703415379
Energy: 1.0729277544567468
Energy: 1.079747633615111
Energy: 1.0733023591272277
Energy: 1.5706783193554663
Energy: 1.0624402107065276
Energy: 1.0787514076276394
Energy: 1.0689317427486336
Energy: 1.0695560546158331
Energy: 1.0772529200898942
Energy: 1.4675800723974552

minimum gb energy = 1.060245956685731 eV
minimum distance =  2.27155346425357 Angstroms
sigma value = 57


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

Energy: 1.8212198600254679
Energy: 1.1239447719435767
Energy: 1.1536493523643538
Energy: 1.1468471776823066
Energy: 1.1518945527606088
Energy: 1.124181004357108
Energy: 1.117854559767405
Energy: 1.2643721916822201
Energy: 1.1279529825353403
Energy: 1.1270554717111583
Energy: 1.128423868757561
Energy: 1.4576405068607001
Energy: 1.1409513472868538
Energy: 1.4668723497089926
Energy: 1.1283818737522378
Energy: 1.1249386513745305
Energy: 1.1317041305985258
Energy: 1.4620543361348721
Energy: 1.1187975591641295
Energy: 1.1456741364154444
Energy: 1.1432226408750017
Energy: 1.1472911918426134
Energy: 1.1445184986971544
Energy: 1.1130352753427897
Energy: 1.1175927108634058
Energy: 1.269650903693499
Energy: 1.1435308161966926
Energy: 1.1306969485009153
Energy: 1.1419960686772914
Energy: 1.412391765201001
Energy: 1.1453549389531672
Energy: 1.4693207294794457
Energy: 1.126618517351205
Energy: 1.1329782398158523
Energy: 1.127121371288672
Energy: 1.7291201775683414
Energy: 1.129054714503038
Energy: 1.2742235736193053
Energy: 1.1463633834844094
Energy: 1.1293201684716663
Energy: 1.1462429070619553
Energy: 1.147116788755375
Energy: 1.116606566555575
Energy: 1.2613812134578422
Energy: 1.4410213669373202
Energy: 1.1395039598840448
Energy: 1.4421036494850088
Energy: 1.1445132813757315
Energy: 1.1291121299550335
Energy: 1.6734821771544728
Energy: 1.119444478909079
Energy: 1.126535645783568
Energy: 1.2526540499704157
Energy: 1.4418031375458609
Energy: 1.140266542071384
Energy: 1.2623774370512748
Energy: 1.1483995706507997
Energy: 1.1257834590420286
Energy: 1.2626485263124014
Energy: 1.1480627448967493
Energy: 1.1331970023799984
Energy: 1.1270687823091354
Energy: 1.462021805980471
Energy: 1.1465938514051486
Energy: 1.4672402745142332
Energy: 1.1344001199983709
Energy: 1.1323590821384233
Energy: 1.1421310512726532
Energy: 1.2705956576939725
Energy: 1.1194206241645914
Energy: 1.1439683805110457
Energy: 1.1321078001191163
Energy: 1.1435367815341204
Energy: 1.146871054851587
Energy: 1.2364292908245906
Energy: 1.120940289919135
Energy: 1.1465596016305384
Energy: 1.1468587924753093
Energy: 1.123665082418101
Energy: 1.1255223152283849
Energy: 1.4631097413593064
Energy: 1.1330655847160964
Energy: 1.1339261224656156
Energy: 1.125044781443468
Energy: 1.1266901897163193
Energy: 1.127794779466586
Energy: 1.4580424464566932
Energy: 1.1558092630250907
Energy: 1.1270353276328686
Energy: 1.127572247435711
Energy: 1.149869218385952
Energy: 1.14823187676775
Energy: 1.11352630946516
Energy: 1.1159191451037132
Energy: 1.1473066178645177
Energy: 1.1481756063383761
Energy: 1.1316704750678654
Energy: 1.1274780380743548
Energy: 1.4583058024296425
Energy: 1.1306338971825864
Energy: 1.2453718731242318
Energy: 1.1319611264651448
Energy: 1.131455499406084
Energy: 1.129693917706888
Energy: 1.463190198843998
Energy: 1.163136266456618
Energy: 1.2679820792180692
Energy: 1.1363840062301183
Energy: 1.1517871373452786
Energy: 1.1489104419768368
Energy: 1.1468799803477097
Energy: 1.1307241789253544
Energy: 1.2748327781473199
Energy: 1.147723859815645
Energy: 1.1391830246829975
Energy: 1.4562009272239846
Energy: 1.1468723762255355
Energy: 1.131178462651482
Energy: 1.2631203013415955
Energy: 1.445906442678355
Energy: 1.1194732005541563
Energy: 1.2667474607476903
Energy: 1.4625403401850805
Energy: 1.1481021486861827
Energy: 1.4610276396799222
Energy: 1.1245667709892615
Energy: 1.1384644047930983
Energy: 1.4643665154549603
Energy: 1.1454448401771762
Energy: 1.1316917596749474
Energy: 1.1462297154383354
Energy: 1.46056276896976
Energy: 1.125720625096033
Energy: 1.4622513840078724
Energy: 1.1246508790589946
Energy: 1.1478190691833572
Energy: 1.4598988001734394
Energy: 1.4627773682695637
Energy: 1.1226528822649673
Energy: 1.1487726792770345
Energy: 1.1314155582947945
Energy: 1.13371820288654
Energy: 1.14594524073228
Energy: 1.1168871412624328

minimum gb energy = 1.1130352753427897 eV
minimum distance =  2.27072826251646 Angstroms
sigma value = 17


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

Energy: 2.266241675150768
Energy: 1.127560768475299
Energy: 1.126610268529082
Energy: 1.128816269410495
Energy: 1.1259834804369853
Energy: 1.1141697473612053
Energy: 1.1165858850517631
Energy: 1.1279089966098634
Energy: 1.1286673491763284
Energy: 1.126620818300133
Energy: 1.1268891874844864
Energy: 1.1343726497193722
Energy: 1.1320264226941148
Energy: 1.2542806372391875
Energy: 1.1242722500433961
Energy: 1.1229464403707619
Energy: 1.124080815076646
Energy: 1.133684413200364
Energy: 1.1103089258855465
Energy: 1.2486599213999006
Energy: 1.1264035998335278
Energy: 1.1261649185031501
Energy: 1.1257374453628088
Energy: 1.248504985339126
Energy: 1.1097766298028582
Energy: 1.250436103529353
Energy: 1.1295347996039051
Energy: 1.1431372616101496
Energy: 1.1276838076824411
Energy: 1.2497178719891657
Energy: 1.1314501359668676
Energy: 1.248723984015138
Energy: 1.1254562108029105
Energy: 1.1145588731144453
Energy: 1.2507411468819916
Energy: 1.1331716937438634
Energy: 1.136446432918743
Energy: 1.2496468426765919
Energy: 1.125376653536162
Energy: 1.1327495162027412
Energy: 1.1300806326069859
Energy: 1.1294936648418412
Energy: 1.135795092638316
Energy: 1.1287709617436656
Energy: 1.1310183526691102
Energy: 1.1360356680613946
Energy: 1.2517482962497932
Energy: 1.1353997343132578
Energy: 1.136783308249377
Energy: 1.1342721721332722
Energy: 1.1128657009846306
Energy: 1.1119772026626007
Energy: 1.1310981824314097
Energy: 1.1335358732812124
Energy: 1.124477275118047
Energy: 1.1247077965428216
Energy: 1.2500296181720267
Energy: 1.1128149350278804
Energy: 1.1250629492424211
Energy: 1.125243036375879
Energy: 1.1247289574102393
Energy: 1.1289243170971692
Energy: 1.254306770486793
Energy: 1.1313776579369206
Energy: 1.1296024015297366
Energy: 1.1288641945325304
Energy: 1.1256745945496809
Energy: 1.1268087817285861
Energy: 1.2495648891475652
Energy: 1.1095895103343034
Energy: 1.4819399016129446
Energy: 1.127704280091389
Energy: 1.1359165657394559
Energy: 1.125588374579558
Energy: 1.2499078368008711
Energy: 1.1108866431784978
Energy: 1.127356454268743
Energy: 1.1331727076807665
Energy: 1.1105112449757295
Energy: 1.2500490572403988
Energy: 1.2489089406409255
Energy: 1.1318026262603247
Energy: 1.2489952666548394
Energy: 1.112066597239692
Energy: 1.1392913245448257
Energy: 1.1290678436491453
Energy: 1.1240145224723257
Energy: 1.1377891781849456
Energy: 1.2478899199817357
Energy: 1.1299759643788285
Energy: 1.1322416956821655
Energy: 1.1308441447737574
Energy: 1.12921295205284
Energy: 1.1386302436238072
Energy: 1.2505109787111297
Energy: 1.1325896031353773
Energy: 1.1200275228193026
Energy: 1.2484630980657572
Energy: 1.1387456531191869
Energy: 1.1415215222364878
Energy: 1.128858000386523
Energy: 1.1180399412077384

minimum gb energy = 1.1095895103343034 eV
minimum distance =  2.28663726822123 Angstroms
sigma value = 17


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

Energy: 2.4963067569645836
Energy: 1.030784153897183
Energy: 1.0990443010769757
Energy: 1.0987594265705818
Energy: 1.0995609231402204
Energy: 1.149458987402082
Energy: 1.154362553196593
Energy: 1.0973402190868784
Energy: 1.0969864554025943
Energy: 1.0985798700974578
Energy: 1.0966777708320448
Energy: 1.033455554250188
Energy: 1.0969276041469669
Energy: 1.0921245769034715
Energy: 1.0959751890946825
Energy: 1.0970086030249233
Energy: 1.0955889339024159
Energy: 1.0968621400405814
Energy: 1.2881402630291814
Energy: 1.1313676776750705
Energy: 1.0969088567460648
Energy: 1.099380570221292
Energy: 1.0961285731778796
Energy: 1.3938204950979727
Energy: 1.1012034816603276
Energy: 1.1270212667882848
Energy: 1.4062415279293556
Energy: 1.097316154835395
Energy: 1.129237359099275
Energy: 1.4030369263088402
Energy: 1.1005823449127023
Energy: 1.0940680413859492
Energy: 1.0292661476422729
Energy: 1.036979858778437
Energy: 1.1288353530331956
Energy: 1.0946046525974218
Energy: 1.0917089810163876
Energy: 1.0920163825142788
Energy: 1.1314361785390876
Energy: 1.093846171527849
Energy: 1.0910056140144597
Energy: 1.0921168572790068
Energy: 1.095528685067959
Energy: 1.0941655035226623
Energy: 1.091512936266982
Energy: 1.097352979198293
Energy: 1.0938019742981204
Energy: 1.0940923029737446
Energy: 1.099447646247061
Energy: 1.097676875412154
Energy: 1.0273596506405323
Energy: 1.2802244127705553
Energy: 1.0953431522889927
Energy: 1.098598279895083
Energy: 1.385992059846547
Energy: 1.0926472927431243
Energy: 1.0960177758675076
Energy: 1.158039498651569
Energy: 1.0960122169402804
Energy: 1.092612079344071
Energy: 1.3449191584295002
Energy: 1.095427886956702
Energy: 1.0335799942081714
Energy: 1.1005260576488956
Energy: 1.434369750448479
Energy: 1.0951968647753159
Energy: 1.1716948909672034
Energy: 1.0954023899046013
Energy: 1.0320895097720404
Energy: 1.2863217985649975
Energy: 1.0317524879499973
Energy: 1.0985092666166312
Energy: 1.1613679570294184
Energy: 1.4354266423411655
Energy: 1.0326570326915945
Energy: 1.2854441637892418
Energy: 1.032955211251918
Energy: 1.0941830233586867
Energy: 1.0329684655617528
Energy: 1.0349279242586626
Energy: 1.0366934801758725
Energy: 1.0366110216979578
Energy: 1.0934585819315623
Energy: 1.029855819116279
Energy: 1.152193724937976
Energy: 1.032544841404879
Energy: 1.0334599255349814
Energy: 1.0330796054249904
Energy: 1.0316202071645038
Energy: 1.2106616460160071
Energy: 1.170373395664588
Energy: 1.0331597891145987
Energy: 1.033261166923866
Energy: 1.034677126088364
Energy: 1.0332648694156679
Energy: 1.0992100452132612
Energy: 1.0944545133747918
Energy: 1.0343389875214202
Energy: 1.0350460733684805
Energy: 1.0335914284217218
Energy: 1.0332297611401713
Energy: 1.408537248041403
Energy: 1.093965964934176
Energy: 1.0319261139746012
Energy: 1.20808128690992
Energy: 1.038048192860137
Energy: 1.034429523184294
Energy: 1.6579551931833847
Energy: 1.1704215625090653
Energy: 1.1870766647625601
Energy: 1.032862391576801
Energy: 1.521412351888239
Energy: 1.4119775322526837
Energy: 1.1699053491669402
Energy: 1.1615115357958945
Energy: 1.0919818593231956
Energy: 1.034649128229362
Energy: 1.0966634192392484
Energy: 1.1880379411715587
Energy: 1.0922476366966107
Energy: 1.3420985287818195
Energy: 1.0912068414442966
Energy: 1.1906848985422782
Energy: 1.0983508406992288
Energy: 1.0907874862820555
Energy: 1.0954087789291458
Energy: 1.099750201655377
Energy: 1.0967934305920524
Energy: 1.0286117942361697
Energy: 1.1491688712770665
Energy: 1.0945401083254764
Energy: 1.0999116641603142
Energy: 1.092198455120476
Energy: 1.0920135626189662
Energy: 1.0917934400396163
Energy: 1.1493324816668251
Energy: 1.0919402446034414
Energy: 1.0921761204799219
Energy: 1.0934838763319596
Energy: 1.0951130353337475
Energy: 1.033451839304861
Energy: 1.1003700333750208
Energy: 1.0960284171045185
Energy: 1.0917756761676642
Energy: 1.0968788331420987
Energy: 1.095127609005777
Energy: 1.1311105441257725
Energy: 1.0990105636091045
Energy: 1.1277819368918853
Energy: 1.0956455858099172
Energy: 1.094043930392615
Energy: 1.0931139630233275
Energy: 1.1270162826661778
Energy: 1.288415300716087
Energy: 1.129344612026748
Energy: 1.0936170110249601
Energy: 1.0319329765734497
Energy: 1.1280518740541416
Energy: 1.0945681332757793
Energy: 1.0956650202187073
Energy: 1.4020350261430894
Energy: 1.5145987179871832
Energy: 1.0361971414224849
Energy: 1.127850949939926
Energy: 1.094153690177641
Energy: 1.0963742018665499
Energy: 1.093924687270715
Energy: 1.0331414729580128
Energy: 1.0997430540658826
Energy: 1.0956129804184778
Energy: 1.0914128042743036
Energy: 1.091645968612636
Energy: 1.0915659859462044
Energy: 1.0974383083256916
Energy: 1.0890291173858593
Energy: 1.091852453202186
Energy: 1.0925107059890837
Energy: 1.0935195449783626
Energy: 1.0920507437234201
Energy: 1.3895842338822797
Energy: 1.29301918594612
Energy: 1.093193128306411
Energy: 1.098092344379675
Energy: 1.099769435449455
Energy: 1.0949869105767887
Energy: 1.4147056716243158
Energy: 1.0975652406895964
Energy: 1.0936504229479533
Energy: 1.0913089399296814
Energy: 1.341003055048581
Energy: 1.0906892279432947
Energy: 1.032372733918454
Energy: 1.0968432450216405
Energy: 1.0328914511242615
Energy: 1.0917957138040832
Energy: 1.1625820893231327
Energy: 1.0916301864805125
Energy: 1.035550435445266
Energy: 1.290833329562208
Energy: 1.0324350812448848
Energy: 1.0936297751440058
Energy: 1.1696161241164331
Energy: 1.1950969219490095
Energy: 1.2738209592556904
Energy: 1.0377021792101833
Energy: 1.0322626919274267
Energy: 1.4019676958305407
Energy: 1.0326515057166459
Energy: 1.0343975799358966
Energy: 1.0967300075621322
Energy: 1.034608541204381
Energy: 1.0352350994379906
Energy: 1.0340453455739245
Energy: 1.032483719401006
Energy: 1.0335402833259226
Energy: 1.0349786169302153
Energy: 1.0334607180561632
Energy: 1.0326740178578837
Energy: 1.0346629303532286
Energy: 1.1701301725628557
Energy: 1.0322525826562314
Energy: 1.0325313170602
Energy: 1.03190825587303
Energy: 1.0315870598192152
Energy: 1.03244814693924
Energy: 1.162627457292849
Energy: 1.0319499924071558
Energy: 1.0339868504424985
Energy: 1.0368922519422772
Energy: 1.0364160192770817
Energy: 1.1213480023505888
Energy: 1.0962267285839722
Energy: 1.0349038462010696
Energy: 1.0373490591835524
Energy: 1.5153380574707438
Energy: 1.0332810287608145
Energy: 1.1872167915141905
Energy: 1.161034944964208
Energy: 1.432970979633641
Energy: 1.032175393117928
Energy: 1.2844763776334378
Energy: 1.031400956230062
Energy: 1.0974928540507123
Energy: 1.1712342435203515
Energy: 1.095607160923856
Energy: 1.0333705161141478
Energy: 1.099471947491497
Energy: 1.4348758226450833
Energy: 1.0941439037340055
Energy: 1.3474119712108172
Energy: 1.0946990630883322
Energy: 1.096241898686453
Energy: 1.149992796762371
Energy: 1.0931065633095922
Energy: 1.0919668438497252
Energy: 1.3404574865975227
Energy: 1.092135646054784
Energy: 1.030796599505038

minimum gb energy = 1.0273596506405323 eV
minimum distance =  2.28239125465193 Angstroms
sigma value = 57


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

Energy: 1.89847347994368
Energy: 0.9412768509496229
Energy: 1.1553666095646884
Energy: 1.1562642690284457
Energy: 1.1547329703190456
Energy: 0.9233330894367037
Energy: 1.1251021041131444
Energy: 1.0242015261723443
Energy: 1.0239489045457857
Energy: 1.0212356408634256
Energy: 1.0231613254844358
Energy: 1.0314033088673036
Energy: 1.0953771267032757
Energy: 0.999862354435112
Energy: 1.0225425717928902
Energy: 1.0215542408734257
Energy: 1.0216015557419427
Energy: 1.095878814168974
Energy: 1.4523502238609503
Energy: 1.001343726159807
Energy: 1.0260915588232884
Energy: 1.0964529206903273
Energy: 1.0236214409166717
Energy: 1.4291096399467786
Energy: 1.0285076773275272
Energy: 0.9992222067086363
Energy: 1.4149787526959416
Energy: 0.9252078731222231
Energy: 0.9992279505881606
Energy: 1.026571935530703
Energy: 1.0956609451771178
Energy: 1.0220676077881994
Energy: 0.9166656471214628
Energy: 1.79399295132325
Energy: 0.9985071526620216
Energy: 1.0976565841900237
Energy: 1.0217887748650927
Energy: 1.0219381332104098
Energy: 1.0006181233915508
Energy: 1.0946669278453285
Energy: 1.0213105332212573
Energy: 1.0226001534199758
Energy: 1.021688538764074
Energy: 1.0228544568716706
Energy: 1.0229969842915787
Energy: 1.094684797088887
Energy: 1.0213679386470682
Energy: 1.0240265914336077
Energy: 1.093417836495616
Energy: 1.0251874286072264
Energy: 1.4135260683567112
Energy: 1.4538252644171936
Energy: 1.0232952240538533
Energy: 1.024149211670849
Energy: 1.0293442480257324
Energy: 1.0229209388019285
Energy: 1.0240875184682465
Energy: 1.0232343330762736
Energy: 1.0220325321932802
Energy: 1.0259010140956126
Energy: 1.1174389447863284
Energy: 1.0238089238822436
Energy: 1.0228649955157616
Energy: 1.0983387094139097
Energy: 1.1977143947950397
Energy: 1.022348942398207
Energy: 1.031243708066054
Energy: 1.0244702765986606
Energy: 1.023825366178627
Energy: 1.0297516902280546
Energy: 1.0232823822501331
Energy: 1.024095910185257
Energy: 1.0918447716858717
Energy: 1.0212467666907379
Energy: 1.0237501241646763
Energy: 1.4656435853140704
Energy: 1.022427307423735
Energy: 1.097299105115687
Energy: 1.785704441370577
Energy: 1.0230529151003838
Energy: 1.0950983074339347
Energy: 1.0962268359221388
Energy: 1.0950365197703922
Energy: 1.117360765700642
Energy: 1.1229107990835616
Energy: 1.0242955377203422
Energy: 1.0232823343807895
Energy: 1.0221815948639472
Energy: 1.0217035653160693
Energy: 1.2015558834790987
Energy: 1.0963902105673713
Energy: 0.9997101462121362
Energy: 1.0229160275994238
Energy: 1.0234340186205264
Energy: 1.0219660794109444
Energy: 1.0957109674622156
Energy: 1.4521739526749164
Energy: 0.9992453160853894
Energy: 1.02479775159517
Energy: 1.0959447541468614
Energy: 1.0225152879349992
Energy: 0.9979456259435467
Energy: 1.0282329331927889
Energy: 0.998028231251552
Energy: 1.0275052763381403
Energy: 1.0955908400499474
Energy: 1.000002835339669
Energy: 1.0227666536977762
Energy: 1.098519600207705
Energy: 1.0231978549535286
Energy: 0.9193619699368027
Energy: 1.7958147013124315
Energy: 0.9980850307269568
Energy: 1.097182640181433
Energy: 1.021411799462464
Energy: 1.021995150172149
Energy: 1.0003570527236243
Energy: 1.0943968619696407
Energy: 1.0232308424428174
Energy: 1.0230781765384604
Energy: 1.020493222052584
Energy: 1.0236743864594944
Energy: 1.0217594731731179
Energy: 1.0943625019301835
Energy: 1.022983468638249
Energy: 1.022476609110704
Energy: 1.0234747029040274
Energy: 1.0247534152644682
Energy: 1.4199022581090346
Energy: 1.45251737620205
Energy: 1.023216339098815
Energy: 1.0251305723580595
Energy: 1.0300154793311072
Energy: 1.0215509908448508
Energy: 1.0215149221055662
Energy: 1.0230802187612529
Energy: 1.0208869950391544
Energy: 1.0237085498404805
Energy: 1.1150792004229408
Energy: 1.022695617100968
Energy: 1.2040370147338708
Energy: 1.0974024432052196
Energy: 1.1981882879872023
Energy: 1.0226445607408488
Energy: 1.0241974250003718
Energy: 1.0207755220687171
Energy: 1.021686467397624
Energy: 1.0290196057893004
Energy: 1.0211446331142262
Energy: 1.0242231750263335
Energy: 1.0927402222110183
Energy: 1.2025678055859985
Energy: 1.0208450164187386
Energy: 1.4616191911269139
Energy: 1.0210735996716014
Energy: 1.097916321341376
Energy: 1.785163631802035
Energy: 1.0262809583248087
Energy: 1.095557327994151
Energy: 1.0974096669743727
Energy: 1.0248175028298325
Energy: 1.1166240395037441

minimum gb energy = 0.9166656471214628 eV
minimum distance =  2.26688403411568 Angstroms
sigma value = 43


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

Energy: 2.2295875467612998
Energy: 0.9180416517186787
Energy: 1.0004376599184932
Energy: 1.0005176663250122
Energy: 1.000832729787847
Energy: 0.9054055922979621
Energy: 0.9183255314196864
Energy: 0.9995068242827659
Energy: 1.0006064064278228
Energy: 1.000186063440295
Energy: 1.0012231496998045
Energy: 1.1933135535515296
Energy: 1.2391793704595142
Energy: 1.0384368633183092
Energy: 0.9992326228785864
Energy: 0.99946390329077
Energy: 0.9997542557382325
Energy: 1.0019314520106704
Energy: 1.323671863802275
Energy: 1.3809650098033246
Energy: 1.0009872645089124
Energy: 1.002079746388081
Energy: 1.0002968577365299
Energy: 1.3793163577767806
Energy: 1.2411934150538033
Energy: 1.3806476350459747
Energy: 1.3782300555703144
Energy: 1.069390421747585
Energy: 1.380988810695598
Energy: 1.3837738685729657
Energy: 0.9269731014000524
Energy: 0.922092629314447
Energy: 0.9161181704253364
Energy: 1.548201787292226
Energy: 1.3878020420768649
Energy: 0.9216219433971199
Energy: 0.9237398059899334
Energy: 0.9208257946427006
Energy: 1.377648775569971
Energy: 1.0024235807654163
Energy: 0.9215035076875416
Energy: 0.9214974591563552
Energy: 0.9223171935123129
Energy: 0.921831650202093
Energy: 0.9221341908644819
Energy: 1.0012688927903834
Energy: 0.9224964457444954
Energy: 0.9216333100319897
Energy: 0.9257795760709505
Energy: 0.9238734073613322
Energy: 1.3890226807698953
Energy: 1.3098303177788744
Energy: 0.9213241097772237
Energy: 0.9232828533481482
Energy: 1.3837739435348173
Energy: 1.3797839152093498
Energy: 1.3796000626978746
Energy: 1.001911271457778
Energy: 1.3813215848727183
Energy: 0.9346647663774734
Energy: 1.559793289645421
Energy: 1.380194080379527
Energy: 1.0007760420605072
Energy: 1.000637194795759
Energy: 1.000700568548101
Energy: 0.9160759012937367
Energy: 1.2373268989665298
Energy: 1.0351480914566524
Energy: 1.0000885095870446
Energy: 1.0006573251279172
Energy: 0.9999360941113005
Energy: 1.000847876056899
Energy: 0.998903915712809
Energy: 0.9980520975472406
Energy: 0.9996469816489945
Energy: 0.9997710642558867
Energy: 0.998625131324049
Energy: 1.1920014335413651
Energy: 1.30312478426197
Energy: 1.0011744217284257
Energy: 1.0010966955166896
Energy: 1.0023722062809153
Energy: 1.0009687337048268
Energy: 1.343722295913888
Energy: 0.9903657854543167
Energy: 0.9990841039612998
Energy: 1.0009113585504905
Energy: 1.2432744254515313
Energy: 1.0004322464860487
Energy: 1.1899052804692196
Energy: 1.2377123276165753
Energy: 1.1877588022569328
Energy: 0.9991406428043195
Energy: 1.3268716489744234
Energy: 0.9986539259130821
Energy: 1.0036640050591463
Energy: 1.3255961170460138
Energy: 0.9998379736335431
Energy: 1.0012255536610084
Energy: 1.2375433090134045
Energy: 1.1911992612386602
Energy: 1.0000052489449753
Energy: 1.322843997172903
Energy: 1.0009190918473367
Energy: 0.998056912714549
Energy: 1.1612943742860102
Energy: 0.9989993779958397
Energy: 1.0001739788626534
Energy: 1.0005962166525129
Energy: 1.0005468526235317
Energy: 0.9180132470184421
Energy: 1.6003198396672353
Energy: 1.0008465681050975
Energy: 1.000390774203503
Energy: 1.000359581876558
Energy: 1.0009569926154456
Energy: 0.9990686587399785
Energy: 1.0016465520622764
Energy: 1.0008644938416744
Energy: 1.000447920511562
Energy: 0.9996170534305169
Energy: 0.9997399826140665
Energy: 1.036695671223843
Energy: 1.2390453646810509
Energy: 0.9996840192339199
Energy: 0.9989715110986966
Energy: 1.0014735420620282
Energy: 1.0004084984614097
Energy: 1.3799027343111487
Energy: 1.3230897747510397
Energy: 1.3791038203366814
Energy: 1.0006113438998345
Energy: 1.0694303752305832
Energy: 1.3781025935585798
Energy: 1.3832732883871768
Energy: 1.24187714250349
Energy: 1.3802011614346077
Energy: 1.0924144094841062
Energy: 1.547704574209267
Energy: 1.3889283597091282
Energy: 0.9217213603977311
Energy: 0.9270205918290338
Energy: 0.922141183059597
Energy: 0.9194169144733443
Energy: 1.0025894647408065
Energy: 0.9217665427193079
Energy: 0.9213821070062272
Energy: 0.9234259459677926
Energy: 0.921033426844117
Energy: 1.0941453375163668
Energy: 1.0017021503514236
Energy: 0.9226829381517877
Energy: 0.9217788889389825
Energy: 0.9230961091667816
Energy: 0.9217277080813181
Energy: 1.0902290038534925
Energy: 1.3088596852492747
Energy: 1.3891286127595694
Energy: 0.9225387204050318
Energy: 0.9253288791331937
Energy: 0.9232474273081022
Energy: 0.9110683372701983
Energy: 1.1593364125085508
Energy: 1.3809236625494365
Energy: 1.3972324520694916
Energy: 1.2414929275728004
Energy: 1.3800154845803099
Energy: 1.0362451707330413
Energy: 1.000473897279008
Energy: 1.0002694409153163
Energy: 1.3795951759629652
Energy: 1.5606683954889842
Energy: 1.0351719389369136
Energy: 1.0008846496428647
Energy: 1.000465288757571
Energy: 1.0001456857880873
Energy: 1.0354001806966757
Energy: 1.2375822866269979
Energy: 1.0005231924364901
Energy: 0.9998615274061338
Energy: 0.9990765685222989
Energy: 0.9988538211308634
Energy: 0.9991726393038273
Energy: 1.0005792365491724
Energy: 0.9983378375095989
Energy: 0.9994701960246336
Energy: 1.0024217394543413
Energy: 1.0010700445703673
Energy: 1.3110141473916612
Energy: 1.3030272266671297
Energy: 1.001423630400937
Energy: 1.002293104337389
Energy: 1.24345318904875
Energy: 1.0003116510521182
Energy: 0.9990168853550966
Energy: 0.9904170337154047
Energy: 0.9997488240021823
Energy: 1.001762788702826
Energy: 1.3243916679346008
Energy: 0.9985939613362109
Energy: 1.001216060356828
Energy: 1.2374636257173988
Energy: 1.1885580932073143
Energy: 0.9995290677314922
Energy: 1.2375655102163077
Energy: 1.0005738428590034
Energy: 0.9996212379118725
Energy: 1.3226617649105057
Energy: 0.9996795783289031
Energy: 1.0016270563633196
Energy: 0.9183255223787326
Energy: 0.9994073600626692
Energy: 1.000848993806459
Energy: 1.322774020918807
Energy: 1.0007613911811428
Energy: 1.191446593119329

minimum gb energy = 0.9054055922979621 eV
minimum distance =  2.25929036250877 Angstroms
sigma value = 81


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

Energy: 0.7088443239175298
Energy: 0.7103329640060652
Energy: 0.9122162456782812
Energy: 0.906955252210993
Energy: 0.906683733055205
Energy: 0.7102649835441939
Energy: 0.7090796172882936
Energy: 0.9043431133999849
Energy: 0.7360442701648136
Energy: 0.7191813407936162
Energy: 0.7282035487629961
Energy: 0.9148069723022818
Energy: 0.9087139040768456
Energy: 0.9052346810059745
Energy: 0.7345621569892055
Energy: 0.7358009419119652
Energy: 0.7356823303461943
Energy: 0.9120757120519356
Energy: 0.9058433314231797
Energy: 0.9078111959497241
Energy: 0.7333807003176404
Energy: 0.7373513480964897
Energy: 0.9059096588624543
Energy: 0.9043591366480461
Energy: 0.906536855268425
Energy: 0.9111115869146884
Energy: 0.9148241730642899
Energy: 0.707918281786971
Energy: 0.8991994968023498
Energy: 0.9087853250967178
Energy: 0.7358783389473662
Energy: 0.7337574936773125
Energy: 0.7087870623804498
Energy: 0.7150670525630907
Energy: 0.9111265030805801
Energy: 0.7343187022969127
Energy: 0.7268999570070054
Energy: 0.7355988999484742
Energy: 0.9106533411877902
Energy: 0.9097979576392865
Energy: 0.9064651522334851
Energy: 0.7197236044020027
Energy: 0.7273850502480123
Energy: 0.7349047531527111
Energy: 0.9113942735917802
Energy: 0.9140803844028458
Energy: 0.9067698140323236
Energy: 0.7351322462746458
Energy: 0.7354007407821461
Energy: 0.730666879592051
Energy: 0.9100629642402228
Energy: 0.9076593964255463
Energy: 0.9095937154924095
Energy: 0.7264703497563026
Energy: 0.7084963075639971
Energy: 0.9060192839806613
Energy: 0.8882807198824356
Energy: 0.9075485911986341
Energy: 0.9113086832412058
Energy: 0.9135183667350486

minimum gb energy = 0.707918281786971 eV
minimum distance =  2.3005881418215 Angstroms
sigma value = 3


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

Energy: 2.052339020113518
Energy: 0.9256776941232552
Energy: 1.2036101632143985
Energy: 1.3179251505746492
Energy: 1.1753042052875358
Energy: 0.9531375264716844
Energy: 0.9351999879092179
Energy: 1.0802110628411254
Energy: 1.292157263546136
Energy: 1.1921743319192184
Energy: 1.2977437326440175
Energy: 1.082980363654119
Energy: 1.1954762584376628
Energy: 1.0814101687421074
Energy: 1.293244999161748
Energy: 1.1957438923373798
Energy: 1.2967111185251106
Energy: 1.281317856389747
Energy: 1.1905479878072525
Energy: 1.2993029445461202
Energy: 1.0822305624294934
Energy: 0.9580457373007933
Energy: 1.086223458492717
Energy: 1.191074737809075
Energy: 1.1929294417089615
Energy: 1.2955397479773685
Energy: 1.0794273021429481
Energy: 0.9068561228319054
Energy: 1.0810916846449348
Energy: 1.191419704859948
Energy: 1.1741666819464875
Energy: 1.2045861421841588
Energy: 1.070031117671593
Energy: 1.1751641177616847
Energy: 1.191214597933497
Energy: 1.1702069897329426
Energy: 1.4026257728633071
Energy: 1.2944794925238612
Energy: 1.2995946477035216
Energy: 0.9581354698709036
Energy: 1.0815899694164652
Energy: 1.1907507094406726
Energy: 1.4052876378370958
Energy: 1.2959888554459829
Energy: 0.9540795874444382
Energy: 0.9578283865910976
Energy: 0.9543215099094863
Energy: 1.2814545041862464
Energy: 0.9577098038355915
Energy: 0.9556880090152389
Energy: 0.9536708612805638
Energy: 0.9540261867827917
Energy: 0.954385598748153
Energy: 1.3736778910296077
Energy: 0.9423332767570438
Energy: 1.0825419706622101
Energy: 0.9541992099534444
Energy: 0.9558395999971572
Energy: 0.9547440254801308
Energy: 1.0817616907072303
Energy: 1.7815268099833708
Energy: 1.0818792493152718
Energy: 0.9553838171745037
Energy: 0.9565215791197632
Energy: 1.373395977992811
Energy: 1.1733445711876835
Energy: 0.9569453841611338
Energy: 1.3076183377256299
Energy: 1.0822572299633926
Energy: 0.9586888921289505
Energy: 1.0823279443621596
Energy: 0.9407486326000178
Energy: 0.9567183448201527
Energy: 0.9541309786064737
Energy: 1.0819776566706962
Energy: 0.9585802802030454
Energy: 1.0809692772810768
Energy: 0.9544812272397117
Energy: 0.9530941707301376
Energy: 0.955700568979508
Energy: 0.9546812726219104
Energy: 0.9549016308274698
Energy: 0.9557627844333826
Energy: 0.9550077045341431
Energy: 0.9540795347812372
Energy: 0.953801204963962
Energy: 1.2964912713210983
Energy: 1.1921744090007214
Energy: 1.080908846775581
Energy: 0.9530695392156637
Energy: 0.9562761875712801
Energy: 1.3684415075966427
Energy: 1.291012414089766
Energy: 1.1936179969297096
Energy: 1.2970801601303068
Energy: 0.9533117894734371
Energy: 2.151661214137509
Energy: 1.079133653380001
Energy: 1.192552382151987
Energy: 1.1900098336522882
Energy: 1.2906437488098816
Energy: 0.9579765530980975
Energy: 2.1540827141505003
Energy: 1.0785926925006835
Energy: 1.191179312689318
Energy: 1.193560586784273
Energy: 1.295863048268874
Energy: 0.9592481108067212
Energy: 0.9577785319442076
Energy: 1.0804897161956313
Energy: 1.1931601589764138
Energy: 1.1905694504009456
Energy: 1.2866683029034494
Energy: 1.3444987874642056
Energy: 1.1932753031617207
Energy: 1.3002908264788753
Energy: 1.3409094499474246
Energy: 1.1932355567974213
Energy: 1.0802076985870748
Energy: 1.282967043753958
Energy: 1.1927958356180743
Energy: 1.2951242803581424
Energy: 1.081196371901266
Energy: 0.9568904546463137
Energy: 1.1951965085044627
Energy: 1.1921472126555275
Energy: 1.1947989206760719
Energy: 1.1914177024152661
Energy: 1.06761465404826
Energy: 1.1744156303168964
Energy: 1.2935534015241468
Energy: 1.191235482396294
Energy: 1.175011497153229
Energy: 1.2939045238234612
Energy: 1.0790961596038462
Energy: 1.252388101920017
Energy: 1.0811527017879863
Energy: 1.191747785312288
Energy: 1.463671906523404
Energy: 1.2983823176711689
Energy: 0.9534268519304631
Energy: 0.9557250818893019
Energy: 1.0820552222420379
Energy: 1.404425200255378
Energy: 1.193369159538591
Energy: 1.0818595204374357
Energy: 0.9540860303948947
Energy: 0.955899690282455
Energy: 0.9537288952647863
Energy: 1.192455640104361
Energy: 0.9428913135606147
Energy: 0.9550937861133469
Energy: 0.9532030108626779
Energy: 0.9545925217092206
Energy: 0.9530970477379747
Energy: 1.0818369556653051
Energy: 1.785075167290257
Energy: 1.082027746036693
Energy: 0.9535659959539232
Energy: 0.9574054520373196
Energy: 0.9528263963378885
Energy: 1.1728018598527021
Energy: 0.9548975857058731
Energy: 1.0827295188457564
Energy: 1.081829845051304
Energy: 1.2949411834871036
Energy: 1.0822817189571454
Energy: 1.080401112341289
Energy: 0.9568428780767246
Energy: 0.9533646238385595
Energy: 0.9581075597091709
Energy: 0.9587338791717146
Energy: 1.0821750383933488
Energy: 0.9542518277035739
Energy: 0.9538645010079511
Energy: 0.9538267975520156
Energy: 1.0822522068651197
Energy: 0.9571139907997666
Energy: 0.9555767255888373
Energy: 0.953843191308127
Energy: 0.9551658221390588
Energy: 0.9555927736560448
Energy: 1.33950114222805
Energy: 1.1696513760979608
Energy: 0.9531626131684228
Energy: 0.9540149243818262
Energy: 0.9585250641239534
Energy: 0.9543182146731981
Energy: 1.2947233960182094
Energy: 1.1924964436266436
Energy: 1.2977048373844478
Energy: 0.9534413041609608
Energy: 0.9355988321305693
Energy: 1.0791901939148254
Energy: 1.2844324269851666
Energy: 1.169479175367019
Energy: 1.2964370758558894
Energy: 0.9602082060664099

minimum gb energy = 0.9068561228319054 eV
minimum distance =  2.2863958158573 Angstroms
sigma value = 67


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

Energy: 1.6322022241027931
Energy: 0.9901306307938078
Energy: 1.3070766075486722
Energy: 1.4331978427347658
Energy: 1.3077384707476434
Energy: 0.9909242133921562
Energy: 0.9927213620634243
Energy: 1.3676389530432667
Energy: 1.3502587065750975
Energy: 1.3040785972792068
Energy: 1.3528817538916735
Energy: 1.4104824921352848
Energy: 1.3002496895218274
Energy: 1.0714700151986367
Energy: 1.3544401159169812
Energy: 1.2996540983960703
Energy: 1.355083240701036
Energy: 1.348530533062878
Energy: 1.303369773529711
Energy: 1.3564675502244088
Energy: 1.0670507768584074
Energy: 1.3012065693036674
Energy: 1.067314235260386
Energy: 1.3008473006315149
Energy: 1.3019170187098181
Energy: 1.3543871035207242
Energy: 1.3664259564761825
Energy: 0.9970095651176196
Energy: 1.6309502167004801
Energy: 1.3026208972119016
Energy: 1.3101406847644184
Energy: 1.3058435426980495
Energy: 1.3648206316264655
Energy: 1.2910142885189297
Energy: 1.3759896904403863
Energy: 1.3051112503835134
Energy: 1.603593421647574
Energy: 1.3532246482551218
Energy: 1.36022700366903
Energy: 0.9964769437178009
Energy: 1.367540807529832
Energy: 1.3482295513848843
Energy: 1.6390822624393049
Energy: 1.349431518420207
Energy: 0.9930272057686681
Energy: 0.9926747992210355
Energy: 0.9920538902546459
Energy: 1.6747588750088038
Energy: 1.3085960542776913
Energy: 0.9949143723742747
Energy: 0.9936088171566263
Energy: 0.9920536705823078
Energy: 0.9933472977490612
Energy: 1.3687268202890923
Energy: 1.3051431574957055
Energy: 1.0676235991474363
Energy: 0.994336490460233
Energy: 0.9919414960906561
Energy: 0.994028638912632
Energy: 1.3487691747508042
Energy: 1.3059761242064973
Energy: 1.3504713789263398
Energy: 0.992579050085639
Energy: 0.9950259322166949
Energy: 1.351604865630379
Energy: 1.3506947321903995
Energy: 1.304349465688506
Energy: 1.3528071762391645
Energy: 0.9873456733979109
Energy: 0.9892574865332604
Energy: 1.363765028650914
Energy: 1.3045176927489393
Energy: 1.3003078320880925
Energy: 1.3535848603668577
Energy: 0.9891386763885565
Energy: 0.9902132465952923
Energy: 1.3501613547391147
Energy: 1.3002506641479388
Energy: 1.299735403333477
Energy: 1.3547215377822293
Energy: 1.0726969909061417
Energy: 1.3026827558081064
Energy: 1.3676957124158517
Energy: 1.3518965247252364
Energy: 1.3025781257154352
Energy: 1.072742121562835
Energy: 1.3515603320830947
Energy: 1.3036733854822997
Energy: 1.0709033190215675
Energy: 1.3482694679846976
Energy: 0.994768468081471
Energy: 1.3690136542030096
Energy: 1.3519190813010753
Energy: 1.3182169727025084
Energy: 1.352738419489159
Energy: 1.0677748144070587
Energy: 1.678694416317855
Energy: 1.3634946835776403
Energy: 1.3004231041384218
Energy: 1.3023751775342063
Energy: 1.2996019001032357
Energy: 1.3426384381002834
Energy: 1.2908955195359764
Energy: 1.3667597939157896
Energy: 1.3002763935195427
Energy: 1.3062514302786068
Energy: 1.3528311317650876
Energy: 1.370546024334968
Energy: 0.994043012942787
Energy: 0.9923899989999547
Energy: 1.5987125250127068
Energy: 1.6368162623032056
Energy: 1.3675170042004332
Energy: 0.9932739105393525
Energy: 0.9926436479724086
Energy: 0.9921715687316414
Energy: 1.3519805128428006
Energy: 1.3055019307912181
Energy: 1.0658198305320352
Energy: 0.9930793684878259
Energy: 0.9907330966511665
Energy: 0.9935813939007805
Energy: 1.066258200209663
Energy: 1.307507646769696
Energy: 0.9960649082835914
Energy: 0.9948655332447138
Energy: 0.9928983815266186
Energy: 0.9927760824581179
Energy: 1.3504002917147582
Energy: 1.302213382792026
Energy: 1.364014075070698
Energy: 0.9927307779854188
Energy: 0.991419661065749
Energy: 1.3496033588494558
Energy: 1.3510902130654783
Energy: 1.305101522217208
Energy: 1.3526279035097832
Energy: 1.406665662696283

minimum gb energy = 0.9873456733979109 eV
minimum distance =  2.27995617064685 Angstroms
sigma value = 33


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

Energy: 2.3796266474816594
Energy: 1.362166295127103
Energy: 1.458488949318185
Energy: 1.458787718839998
Energy: 1.41936489084217
Energy: 1.3048724927089714
Energy: 0.9434285359931951
Energy: 1.1912645946254021
Energy: 1.4666750179828265
Energy: 1.4152104904991485
Energy: 1.4684797208052023
Energy: 1.1349346166553282
Energy: 1.14132867430643
Energy: 1.1945630714620599
Energy: 1.4662976249658402
Energy: 1.3118089930167207
Energy: 1.4790704625331093
Energy: 1.1369633762970435
Energy: 1.1522151456960725
Energy: 1.1921019583479682
Energy: 1.2540214042519655
Energy: 1.4156404089482386
Energy: 1.0428846993444896
Energy: 1.1398901038269191
Energy: 1.1382183145648845
Energy: 1.1926469616987077
Energy: 1.041507895647884
Energy: 1.2374633223591607
Energy: 1.042048279530454
Energy: 1.13723300048598
Energy: 1.148803693139558
Energy: 1.1454893164403468
Energy: 1.1924060231009692
Energy: 1.5161543952990744
Energy: 1.4145717345780555
Energy: 1.1462298611773116
Energy: 1.3130202399047226
Energy: 0.949949166312613
Energy: 1.1392428673002708
Energy: 1.2352650314449687
Energy: 1.0402490009909588
Energy: 1.3710081336166213
Energy: 1.3249486859086803
Energy: 1.0422434668066827
Energy: 1.1411628163261203
Energy: 1.1428158896605518
Energy: 1.1400730295809003
Energy: 1.4243258550758064
Energy: 1.449175556738755
Energy: 1.1940334052831787
Energy: 1.1929761556854566
Energy: 1.1339013375798435
Energy: 1.1926303457201144
Energy: 1.2367223729630943
Energy: 1.415980777283072
Energy: 1.2500900808597117
Energy: 1.1934116157232455
Energy: 1.1360474178128335
Energy: 0.9499880469043609
Energy: 1.467917531996797
Energy: 1.5215426034933222
Energy: 1.481178358188148
Energy: 1.1940095306324836
Energy: 1.146078491408964
Energy: 1.4679135061902722
Energy: 1.4513940142056705
Energy: 1.414159353691972
Energy: 1.4139490833127533
Energy: 0.9491680339079064
Energy: 1.1231352491352795
Energy: 1.1952846172874225
Energy: 1.4138814717916437
Energy: 1.494364786547918
Energy: 1.4146200693584234
Energy: 0.9479379374707673
Energy: 1.1368860784973838
Energy: 1.1953220997446194
Energy: 1.220463761955752
Energy: 1.796545002426814
Energy: 1.1920332721628548
Energy: 0.9469290083983629
Energy: 0.9521783754339713
Energy: 1.191369485204726
Energy: 1.4242610567269014
Energy: 1.4694750114786175
Energy: 0.9492553348654696
Energy: 0.9481210795728504
Energy: 0.9504206663881242
Energy: 0.9477567706020381
Energy: 1.4670994860359852
Energy: 1.5327173203833049
Energy: 0.9518839836921136
Energy: 0.9478381765462744
Energy: 0.9487472460553186
Energy: 0.9487423653800565
Energy: 1.3151575658209018
Energy: 1.5108729550059052
Energy: 1.1912479583297166
Energy: 0.9470433437353339
Energy: 0.9500810284615411
Energy: 0.9479582314968853
Energy: 1.4670946923397432
Energy: 1.4239583891921845
Energy: 1.249795583643216
Energy: 1.1926432227054717
Energy: 0.9531974669662593
Energy: 1.1925341079539655
Energy: 1.4676668690010302
Energy: 1.4609212267270024
Energy: 1.4241184679640255
Energy: 1.3248450655435817
Energy: 1.3018738011581128
Energy: 1.221257989743597
Energy: 1.4239294930543724
Energy: 1.4132119800165706
Energy: 1.466448749451998
Energy: 1.1914951676690262
Energy: 0.9435422614459044
Energy: 1.1920244069547716
Energy: 1.4139688812043671
Energy: 1.3569420906474994
Energy: 1.480603299014589
Energy: 1.1954758467510511
Energy: 1.1421333525509099
Energy: 0.9477818073450218
Energy: 1.448193676744508
Energy: 1.4153710992251984
Energy: 1.2540476194123966
Energy: 1.1921811194250163
Energy: 1.1536739638142481
Energy: 1.191808138359835
Energy: 1.4729488836912734
Energy: 1.2537103863836498
Energy: 1.0442075242458073
Energy: 1.1927415767434189
Energy: 1.1374256431018432
Energy: 1.1920828295090506
Energy: 1.1956729911637638
Energy: 2.0303287500529263
Energy: 1.1457919572529036
Energy: 1.1451346290086284
Energy: 1.148040591132906
Energy: 1.145260424266567
Energy: 1.5138892738740142
Energy: 1.2361147779061046
Energy: 1.1949167684391353
Energy: 1.1926670823029024
Energy: 1.3177433627149495
Energy: 1.0434984904610283
Energy: 1.1402445929884841
Energy: 1.1438824088870212
Energy: 1.140763328338448
Energy: 1.0366641995867605
Energy: 1.708894771363009
Energy: 1.0419116210048098
Energy: 1.1402415695673085
Energy: 1.1354513748375465
Energy: 1.1924438016247396
Energy: 1.1971041629204797
Energy: 1.2545473057209025
Energy: 1.258573493458776
Energy: 1.1937383816788392
Energy: 1.1344943107401466
Energy: 1.1919906511464557
Energy: 1.5275439819176144
Energy: 1.4148782788248542
Energy: 1.0409470890806511
Energy: 1.1935081575784676
Energy: 1.1441426742030172
Energy: 1.2067273923121329
Energy: 1.4550965915897667
Energy: 1.5285834580948292
Energy: 1.4673202379874095
Energy: 1.1351650219482219
Energy: 1.1357941702330896
Energy: 1.195175277522671
Energy: 1.4149318693857604
Energy: 1.4156354609644202
Energy: 1.4647092331963933
Energy: 1.1232255031112681
Energy: 1.1249180608983715
Energy: 1.1957579936116662
Energy: 1.2210074161633568
Energy: 1.220289610314206
Energy: 1.414052266667585
Energy: 1.1227740260851649
Energy: 0.9524016096417431
Energy: 1.1917726868100127
Energy: 1.4833968248665559
Energy: 1.6904093548381698
Energy: 1.192091954441505
Energy: 0.9476191028339832
Energy: 0.9479440239974299
Energy: 0.9472327458666072
Energy: 1.1919269229256773
Energy: 1.469052823886433
Energy: 0.9479858584192099
Energy: 0.9472014248013128
Energy: 0.9460811660091106
Energy: 0.9481073435152405
Energy: 0.9499835075359614
Energy: 1.5275794837591472
Energy: 0.9480136753010949
Energy: 0.9475016899209083
Energy: 0.9483788291191255
Energy: 0.9482228964645293
Energy: 0.9500334014621341
Energy: 1.4131843878313666
Energy: 0.9483935484750586
Energy: 0.9479673647375987
Energy: 0.9528776600372623
Energy: 1.1990833551620586
Energy: 1.466983501502112
Energy: 1.4232464317344193
Energy: 1.1916829380426521
Energy: 0.9478781509253155
Energy: 1.3017453756448465
Energy: 1.1955328157249996
Energy: 1.422964104289206
Energy: 1.4218588736515543
Energy: 1.2216812664451255
Energy: 1.302073987122046

minimum gb energy = 0.9434285359931951 eV
minimum distance =  2.24012728806485 Angstroms
sigma value = 41


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

Energy: 1.8887872331788813
Energy: 0.7049405283229523
Energy: 1.0735172496622905
Energy: 1.0674940834226467
Energy: 1.0744899612842083
Energy: 1.4256911321562546
Energy: 1.4076993759387635
Energy: 0.7989085659105929
Energy: 0.7853073758127584
Energy: 1.0789393262627514
Energy: 0.7989080498937503
Energy: 1.077151700533894
Energy: 1.0819501791981294
Energy: 0.7879942209260237
Energy: 0.7843812730609371
Energy: 0.7023311154676704
Energy: 0.7889027578269722
Energy: 1.0748800057406283
Energy: 1.0788044848692278
Energy: 0.8040019439167486
Energy: 0.8026740209546213
Energy: 1.0687196683478655
Energy: 0.8043914272123661
Energy: 1.0791992878890901
Energy: 1.0787808115232147
Energy: 1.0784516456301885
Energy: 0.7939903366112222
Energy: 1.0826782096399652
Energy: 0.7880541980244264
Energy: 1.075544873628561
Energy: 1.0731864937069782
Energy: 1.0692092949086074
Energy: 1.0682391771757425
Energy: 1.1628965928577257
Energy: 1.0711347325472087
Energy: 1.0707755258699212
Energy: 1.4118925477161244
Energy: 0.8052459812125782
Energy: 1.067037117948513
Energy: 1.0740623515495389
Energy: 0.8066874705040101
Energy: 1.1493803131856812
Energy: 1.4048759857467605
Energy: 0.8024052290288398
Energy: 1.068619748437705
Energy: 1.0707287500262992
Energy: 1.0709004369881037
Energy: 1.148901899896601
Energy: 1.0705624212415794
Energy: 0.8051097298842261
Energy: 0.8007574468730458
Energy: 0.7037665560468983
Energy: 0.8018995529147085
Energy: 1.066933587679573
Energy: 1.0769811186375702
Energy: 0.8045508381462536
Energy: 0.8021847425360219
Energy: 1.0681411506968916
Energy: 0.8056961006173734
Energy: 0.8030944394202282
Energy: 1.0790253911455987
Energy: 0.7993141738327867
Energy: 0.7847837822866777
Energy: 1.0750872966221567
Energy: 0.8006129704506252
Energy: 1.0798522455160569
Energy: 1.075932198626238
Energy: 1.0689000828463031
Energy: 0.8030069351776814
Energy: 1.1612668202923755
Energy: 0.8035595990697054
Energy: 1.068459696087609
Energy: 1.071516235218486
Energy: 1.0730000286165455
Energy: 0.8024221854535323
Energy: 1.069491220806539
Energy: 0.8044367899501884
Energy: 1.0666576287316945
Energy: 1.411211523565078
Energy: 0.789187223470065
Energy: 1.0705479618625715
Energy: 1.0740822060859878
Energy: 1.0695224440123032
Energy: 1.1489087539225074

minimum gb energy = 0.7023311154676704 eV
minimum distance =  2.25808823641961 Angstroms
sigma value = 11


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

Energy: 1.0436287194728682
Energy: 1.0450955788134686
Energy: 1.0521778454020358
Energy: 1.2078098585012957
Energy: 1.0545976089402334
Energy: 2.1275072667726787
Energy: 1.039561298200039
Energy: 1.0553334023705405
Energy: 1.0453503639168342
Energy: 1.0458844515791628
Energy: 1.0542307380656901
Energy: 1.0522164676445607
Energy: 1.0527060451549994
Energy: 1.053640833634316
Energy: 1.3614619552501237
Energy: 1.0373371330220584
Energy: 1.0528774431572978
Energy: 1.0534100827977808
Energy: 1.0770534646405034
Energy: 1.0790946212471668
Energy: 1.046172715900312
Energy: 1.0455702009525703
Energy: 1.0458443990469704
Energy: 1.0538104674449815
Energy: 1.0525899583921334
Energy: 1.051977923706592
Energy: 1.0453510956674201
Energy: 1.046158755446385
Energy: 1.2161374392579547
Energy: 1.0531068131364645
Energy: 1.051212958073908
Energy: 1.053935717816179
Energy: 1.359760449197552
Energy: 1.0700601873474107
Energy: 1.3585858353254057
Energy: 1.0536710274007308
Energy: 1.0473641828533018
Energy: 1.2245608778318176
Energy: 1.0459888506529342
Energy: 1.046357364826823
Energy: 1.045770980220875
Energy: 1.0376952507775927
Energy: 1.0710361811144902
Energy: 1.046006593870487
Energy: 1.050068907087355
Energy: 1.0555239858432408
Energy: 1.0529178027162032
Energy: 1.0443460041577628
Energy: 1.0527356496788782
Energy: 1.054016772401274
Energy: 1.2125092742019965
Energy: 1.0385862067296299
Energy: 1.0547849888927083
Energy: 1.0518730131931129
Energy: 1.0538635826684488
Energy: 1.051694199861075
Energy: 1.215208885670608
Energy: 1.0378007190366607
Energy: 1.2115630574774519
Energy: 1.051350264767578
Energy: 1.2470147406194456
Energy: 1.2251627458735652
Energy: 1.052764023498394
Energy: 1.0531791890479238
Energy: 1.2129657931440816
Energy: 1.2943856341040052
Energy: 1.0550495212526325
Energy: 1.0517107948778959
Energy: 1.0508359222553996
Energy: 1.0535633754369411
Energy: 1.1459397378391962
Energy: 1.2952488294949116
Energy: 1.0540150376701747
Energy: 1.0463553616697547
Energy: 1.2943222386683948
Energy: 1.055033769150354
Energy: 1.051166307042948
Energy: 1.0530236180331076
Energy: 1.0374063998985796
Energy: 1.0522791499424573
Energy: 1.052696068240346
Energy: 1.053165653180583
Energy: 1.0528690939954415
Energy: 1.0536676823137832
Energy: 1.0536777638004944
Energy: 1.05471368232418
Energy: 1.051956367394629
Energy: 1.0527993249306995
Energy: 1.054240412253878
Energy: 1.0459139909262516
Energy: 1.0537504763042969
Energy: 1.0551446221059528
Energy: 1.0399596968427989
Energy: 1.0333433246234662
Energy: 1.0526333394201954
Energy: 1.05437636287071
Energy: 1.0452631584225933
Energy: 1.0451534415549202
Energy: 1.052896828918516
Energy: 1.0406473748839649
Energy: 1.213893448878838
Energy: 1.0465748930187668
Energy: 1.0382371467570022
Energy: 1.0521398541382752
Energy: 1.0543571669693512
Energy: 1.053984164351579
Energy: 1.0530958970761821
Energy: 1.0386460082472402
Energy: 1.0455179924813935
Energy: 1.0444183507300204
Energy: 1.077625318227262
Energy: 1.0789644004983436
Energy: 1.0518053041477202
Energy: 1.0456800972793991
Energy: 1.0456975483463298
Energy: 1.0452876437492202
Energy: 1.05437141590432
Energy: 1.0529365079905664
Energy: 1.0514188716825927
Energy: 1.0466424525314426
Energy: 1.0461686359879283
Energy: 1.3598884434376632
Energy: 1.0536897256238995
Energy: 1.0537020996322572
Energy: 1.0542446305113728
Energy: 1.8483758121121696
Energy: 1.045599428425382
Energy: 1.045789379391852
Energy: 1.054584140568809
Energy: 1.046452354060574
Energy: 1.0534625956460086
Energy: 1.0466750006506162
Energy: 1.0565791203338437
Energy: 1.050335629598603
Energy: 1.043972348341346
Energy: 1.0379791542413646
Energy: 1.0455125197257442
Energy: 1.053361592128435
Energy: 1.0375702643176608
Energy: 1.2140916771011454
Energy: 1.0452732125974735
Energy: 1.0531673504671968
Energy: 1.0508604590882054
Energy: 1.0388299908092227
Energy: 1.0397952174702625
Energy: 1.0528773043481763
Energy: 1.0513697837109455
Energy: 1.0538332917988018
Energy: 1.0527244179081034
Energy: 1.040987058633455
Energy: 1.0544458705701945
Energy: 1.0530112372008027
Energy: 1.2937363640655735
Energy: 1.053160301749041
Energy: 1.2275686141696576
Energy: 1.0511850784505652
Energy: 1.0539929695804326
Energy: 1.0514958895451445
Energy: 1.2253656020288308
Energy: 1.054253431160626
Energy: 1.050284388832052
Energy: 1.2955129091003568
Energy: 1.0540499592947603
Energy: 1.2176559957018755
Energy: 1.0536046966909223
Energy: 1.054311694072172
Energy: 1.046358360370723
Energy: 1.0544751540265094
Energy: 1.0549271368538002
Energy: 1.0527341471905745
Energy: 1.0537752777012552
Energy: 1.0376145208140801
Energy: 1.0554062071375474
Energy: 1.0525510586639153
Energy: 1.0529753433469398
Energy: 1.0524753696042672
Energy: 1.0539753709826836
Energy: 1.0536476274531736
Energy: 1.2137940883528344
Energy: 1.0680229764302416
Energy: 1.0341449087317398
Energy: 1.0447296331029379
Energy: 1.0507224527351964
Energy: 1.0538128574922065
Energy: 1.0527448039935634
Energy: 1.0375972854931546

minimum gb energy = 1.0333433246234662 eV
minimum distance =  2.25350533344528 Angstroms
sigma value = 57


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

Energy: 2.2164169710253394
Energy: 1.2181632717575919
Energy: 1.177622689337541
Energy: 1.1788828618865976
Energy: 1.17749375788761
Energy: 1.22051828098401
Energy: 1.1591324282044873
Energy: 1.3333752267534162
Energy: 1.3308410846884688
Energy: 1.1790532854867344
Energy: 1.2433484466417235
Energy: 1.1805126307968055
Energy: 1.1816603409594497
Energy: 1.1812124798201658
Energy: 1.3293232800679544
Energy: 1.1592356897538216
Energy: 1.2432785393667016
Energy: 1.1820659359099845
Energy: 1.1803242558785516
Energy: 1.1796130761070334
Energy: 1.1802431024218454
Energy: 1.1816099215631803
Energy: 1.1787988804440024
Energy: 1.18004294153769
Energy: 1.1819344761633346
Energy: 1.1795719371380073
Energy: 1.2445064131423635
Energy: 1.179712589388627
Energy: 1.3017108532886779
Energy: 1.179451955358583
Energy: 1.2026322069149717
Energy: 1.1787621251430158
Energy: 1.2432153124949696
Energy: 1.1801541306699321
Energy: 1.2434187656236408
Energy: 1.1792782613418673
Energy: 1.1766210314530454
Energy: 1.2436098842545051
Energy: 1.1788628593797432
Energy: 1.1805808658725643
Energy: 1.1809214227380926
Energy: 1.2439035261115137
Energy: 1.178217894119496
Energy: 1.3030465738488886
Energy: 1.1810337233338108
Energy: 1.1793183985429931
Energy: 1.1798830234570004
Energy: 1.3044211766064526
Energy: 1.1801932851539798
Energy: 1.1803189537469525
Energy: 1.1615861001036385
Energy: 1.160097978752654
Energy: 1.3328248225621075
Energy: 1.1807237171730518
Energy: 1.1787107934036152
Energy: 1.1794211259635345
Energy: 1.1597007695956427
Energy: 1.1612363935406227
Energy: 1.2449752773666478
Energy: 1.1799652402809664
Energy: 1.1601289947372138
Energy: 1.328742034579264
Energy: 1.1800695689942302
Energy: 1.2032176451293999
Energy: 1.334514819465964
Energy: 1.3328610498025808
Energy: 1.158515097276604
Energy: 1.2437228506070177
Energy: 1.1804412525358456
Energy: 1.1816019693886695
Energy: 1.3047309478152633
Energy: 1.2439555706354797
Energy: 1.1798378895463058
Energy: 1.450495144653251
Energy: 1.1787786323383325
Energy: 1.1804096917469653
Energy: 1.1797599517519202
Energy: 1.179494771558777
Energy: 1.1790473153082235
Energy: 1.2438635064924977
Energy: 1.1800552641482986
Energy: 1.1816178422453898
Energy: 1.302817910445789
Energy: 1.3339133350321497
Energy: 1.1794295199301206
Energy: 1.2467877675270511
Energy: 1.3310242409529596
Energy: 1.179600564099413
Energy: 1.3263937433234607
Energy: 1.1809553682445426
Energy: 1.1794070713084928
Energy: 1.1781061615902084
Energy: 1.1810890779396812
Energy: 1.1911905557840778
Energy: 1.1797366337672532
Energy: 1.178040587964229
Energy: 1.1599837007158813
Energy: 1.3327083976228105
Energy: 1.330833000011391
Energy: 1.1803643031190196
Energy: 1.243766616136221
Energy: 1.180313148689

minimum gb energy = 1.158515097276604 eV
minimum distance =  2.2700134897648 Angstroms
sigma value = 9


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

Energy: 2.34743373604544
Energy: 1.26269971926959
Energy: 1.2161075977513882
Energy: 1.2133136578813064
Energy: 1.2222235216541308
Energy: 1.2620714040434122
Energy: 1.163601791103901
Energy: 1.2256954891854186
Energy: 1.202398871345469
Energy: 1.2026843527475817
Energy: 1.203052205134305
Energy: 1.2003413426781335
Energy: 1.2346435886239624
Energy: 1.2004577966478756
Energy: 1.4782909852064845
Energy: 1.2269291028950522
Energy: 1.200823148208605
Energy: 1.238463598763532
Energy: 1.2026078683104207
Energy: 1.2015876485279842
Energy: 1.271493912412972
Energy: 1.2028569784521335
Energy: 1.2713170201009578
Energy: 1.1988250753150118
Energy: 1.2196946125786445
Energy: 1.2612553167837008
Energy: 1.2618393710783533
Energy: 1.2151230837160398
Energy: 1.238106165502859
Energy: 1.337291504587533
Energy: 1.225370987408975
Energy: 1.2707772768766663
Energy: 1.3373920220674902
Energy: 1.218062703525264
Energy: 1.262721353623704
Energy: 1.2691811852958175
Energy: 1.1997207141639592
Energy: 1.1991899089886244
Energy: 1.202215636733047
Energy: 1.2002390869737833
Energy: 1.2000259350730962
Energy: 1.2327591005105378
Energy: 1.2005996627935376
Energy: 1.2005235594831076
Energy: 1.2085843050164473
Energy: 1.2089959673562052
Energy: 1.2026810732024253
Energy: 1.3012784218211075
Energy: 1.2032080935723615
Energy: 1.2002235226258973
Energy: 1.233099986722741
Energy: 1.1893102979230494
Energy: 1.2006511314102637
Energy: 1.200284165638956
Energy: 1.2084566406379074
Energy: 1.1997217643442437
Energy: 1.3031990585903348
Energy: 1.189351289928829
Energy: 1.201069797775754
Energy: 1.2249517065441113
Energy: 1.1707004216124997
Energy: 1.2016348373214332
Energy: 1.2376418726654872
Energy: 1.2114315932157596
Energy: 1.218884226585818
Energy: 1.2273771900325654
Energy: 1.1684945016849444
Energy: 1.1994150425515446
Energy: 1.2022423919336989
Energy: 1.201077104878693
Energy: 1.202268443590373
Energy: 1.1605799032873492
Energy: 1.2072288419211836
Energy: 1.2079700580551818
Energy: 1.2021451327972135
Energy: 1.2285227591289631
Energy: 1.2007402616855676
Energy: 1.2077783129278827
Energy: 1.1997903699086077
Energy: 1.2001033150912017
Energy: 1.2527900782693384
Energy: 1.2265028091530865
Energy: 1.253911011161249
Energy: 1.1976692628206935
Energy: 1.2186926021701079
Energy: 1.3381486375259992
Energy: 1.2729583502367683
Energy: 1.199933466071186
Energy: 1.2697233255817837
Energy: 1.3360871381253507
Energy: 1.199432325218245
Energy: 1.2406276082680996
Energy: 1.3349155799247494
Energy: 1.2179008129645386
Energy: 1.2616402550683337
Energy: 1.27016517061819
Energy: 1.2034945562399837
Energy: 1.271098071084076
Energy: 1.2035069226380162
Energy: 1.1999874690067467
Energy: 1.1992413309310788
Energy: 1.2696932062246422
Energy: 1.2068433481438694
Energy: 1.201267530138194
Energy: 1.21768733236414
Energy: 1.217231621587175
Energy: 1.2006875225225886
Energy: 1.2010347920061855
Energy: 1.2012922625242066
Energy: 1.2004122076287322
Energy: 1.2039433335639707
Energy: 1.2074624166480308
Energy: 1.200441417331968
Energy: 1.2007955393914804
Energy: 1.206738648824677
Energy: 1.2370189586196445
Energy: 1.2032929018700471
Energy: 1.1888879071636427
Energy: 1.215764444962313
Energy: 1.243145278249389
Energy: 1.1603608090191784
Energy: 1.2001683351258565
Energy: 1.2017653241891832
Energy: 1.2073129904253304
Energy: 1.2028063664555522
Energy: 1.200469180751185

minimum gb energy = 1.1603608090191784 eV
minimum distance =  2.25984935693443 Angstroms
sigma value = 27


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

Energy: 1.5954302543658074
Energy: 1.2119549864239303
Energy: 1.3148053593295805
Energy: 1.3163281446761559
Energy: 1.315152924337515
Energy: 1.2090449637979213
Energy: 1.2251823644216326
Energy: 1.2225663871687182
Energy: 1.2219403553603128
Energy: 1.220115266814981
Energy: 1.2950433352839525
Energy: 1.2222844724350632
Energy: 1.2092067799098958
Energy: 1.2082379346622198
Energy: 1.2048917372554775
Energy: 1.2051809253799168
Energy: 1.2086531108232574
Energy: 1.208180576271979
Energy: 1.2088789750226676
Energy: 1.2956433630482185
Energy: 1.292863481472732
Energy: 1.220189892891042
Energy: 1.2989269318572345
Energy: 1.2087231835916472
Energy: 1.2314647817566258
Energy: 1.294158401245278
Energy: 1.2624182784162061
Energy: 1.2129333476104076
Energy: 1.2617661808294482
Energy: 1.2949888659132416
Energy: 1.20784896060455
Energy: 1.3331173272182835
Energy: 1.2619485657281349
Energy: 1.2153046258071285
Energy: 1.3321449381143493
Energy: 1.3401411145741196
Energy: 1.2085520694596068
Energy: 1.2938505821819655
Energy: 1.2633256402597326
Energy: 1.2228474854081706
Energy: 1.2616279349648825
Energy: 1.2942841144236727
Energy: 1.2082847021152388
Energy: 1.294193261924405
Energy: 1.2946391622767026
Energy: 1.2203062020573834
Energy: 1.2949991185357312
Energy: 1.2774252219752296
Energy: 1.2079760554723153
Energy: 1.2083656728614267
Energy: 1.2971666210048465
Energy: 1.2222077030111538
Energy: 1.2089317696913393
Energy: 1.2097399564294269
Energy: 1.225255768006493
Energy: 1.2186184791277894
Energy: 1.2948378220971382
Energy: 1.22274939044787
Energy: 1.209064584916326
Energy: 1.210830868986026
Energy: 1.2178915626990028
Energy: 1.2978878927932018
Energy: 1.2173724579120146
Energy: 1.2171309728006428
Energy: 1.2182434013224466
Energy: 1.2913268135849165
Energy: 1.218147271488041
Energy: 1.2946287907716194
Energy: 1.2202531660292397
Energy: 1.2262666212947146
Energy: 1.220313832530911
Energy: 1.2096151804939705
Energy: 1.2204346891792064
Energy: 1.2095613895910708
Energy: 1.351111510296668
Energy: 1.2028063680993248
Energy: 1.2144658479216142
Energy: 1.210076053439615
Energy: 1.2200404675170087
Energy: 1.2207222109185898
Energy: 1.208302655225375
Energy: 1.233688614157663
Energy: 1.2949496734868517
Energy: 1.2197122788203976
Energy: 1.2042203031712648
Energy: 1.2088825487822394
Energy: 1.2095966617769363
Energy: 1.209437764255584
Energy: 1.2085081142712344
Energy: 1.2048814256637186
Energy: 1.2034364860936495
Energy: 1.2816339755958843
Energy: 1.2100627307411844
Energy: 1.208315634086095
Energy: 1.2945528430134716
Energy: 1.3425295821963117
Energy: 1.2118834925762676
Energy: 1.292588296843461
Energy: 1.2950171374081418
Energy: 1.22907420974105
Energy: 1.2940863954427546
Energy: 1.2130203040047365
Energy: 1.2218068144958285
Energy: 1.2653642973552035
Energy: 1.2937529381062014
Energy: 1.2082697579302086
Energy: 1.2618423729648567
Energy: 1.2623218389642794
Energy: 1.220966367145999
Energy: 1.2625800964307674
Energy: 1.3775623165466206
Energy: 1.2080709732205572
Energy: 1.2636554281259
Energy: 1.263248060096611
Energy: 1.2115048689673547
Energy: 1.292759343229972
Energy: 1.294387423931641
Energy: 1.2083889692126444
Energy: 1.2941396871482005
Energy: 1.21424027014946
Energy: 1.2244565746505287
Energy: 1.2800439831419366
Energy: 1.2078632193200114
Energy: 1.2080111213770885
Energy: 1.209139300004156
Energy: 1.3043088934724296
Energy: 1.2032085775098271
Energy: 1.2968040422350198
Energy: 1.2087951516830184
Energy: 1.210124915302415
Energy: 1.2079487312155854
Energy: 1.2946813373469912
Energy: 1.219659874282047
Energy: 1.2235837517705277
Energy: 1.2080858610818277
Energy: 1.211256793772796
Energy: 1.2946466065698068
Energy: 1.2210174889057
Energy: 1.2101398806307166
Energy: 1.2101297729192624
Energy: 1.2050927475787085
Energy: 1.2210795462788253
Energy: 1.2206631095658342
Energy: 1.2103371847484252
Energy: 1.2344693167235867
Energy: 1.2944166263438739
Energy: 1.2246322294669032
Energy: 1.2246821143218465
Energy: 1.223611781400266
Energy: 1.217395025228339

minimum gb energy = 1.2028063680993248 eV
minimum distance =  2.23193106029104 Angstroms
sigma value = 19


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

Energy: 1.6789027754442494
Energy: 1.2085003396143248
Energy: 1.2326032211237556
Energy: 1.2335106234470619
Energy: 1.2314506720602991
Energy: 1.3475388112777453
Energy: 1.2435988886538147
Energy: 1.235981432316735
Energy: 1.293114794034409
Energy: 1.238100071063046
Energy: 1.3528391668207824
Energy: 1.234830137958941
Energy: 1.231290012526818
Energy: 1.2336535510342146
Energy: 1.2451806075986591
Energy: 1.2433162265529605
Energy: 1.347846637637581
Energy: 1.2328719456485104
Energy: 1.234023963286398
Energy: 1.3481904288195172
Energy: 1.3511827692497145
Energy: 1.2347772913569277
Energy: 1.3535371692914913
Energy: 1.2350780116260076
Energy: 1.2428632052866855
Energy: 1.3464094210814679
Energy: 1.2843871632157111
Energy: 1.235384873329545
Energy: 1.2829804603354549
Energy: 1.3467300084548153
Energy: 1.2301480452224705
Energy: 1.3913983668945034
Energy: 1.2369989260139314
Energy: 1.2340022403759312
Energy: 1.293149693418018
Energy: 1.3425957251309562
Energy: 1.261694125920856
Energy: 1.3457856903706564
Energy: 1.3274799275521814
Energy: 1.293943964679899
Energy: 1.327856217535811
Energy: 1.2948734347396411
Energy: 1.234603711357587
Energy: 1.3272224249954172
Energy: 1.3280776260724378
Energy: 1.2311862623909262
Energy: 1.3279792222765
Energy: 1.2936507745398285
Energy: 1.238490427818262
Energy: 1.282150977031484
Energy: 1.3476933768491473
Energy: 1.2313303958243338
Energy: 1.283731412683279
Energy: 1.2836498503259632
Energy: 1.2349542557246347
Energy: 1.2855661923525177
Energy: 1.3468774561080559
Energy: 1.231618860147031
Energy: 1.3472764823010845
Energy: 1.2348493370397953
Energy: 1.2221431420870148
Energy: 1.3552312197452023
Energy: 1.2346134834686906
Energy: 1.2335944742291132
Energy: 1.235104290744524
Energy: 1.3557925468838565
Energy: 1.237752131087
Energy: 1.3545971768148861
Energy: 1.2342958580307153
Energy: 1.2448024657918633
Energy: 1.2361369053204931
Energy: 1.3547388059027548
Energy: 1.2346257780278411
Energy: 1.2342923433976531
Energy: 1.3441759509557416
Energy: 1.2534740334804195
Energy: 1.2815281501644815
Energy: 1.2341667653011879
Energy: 1.2438035508651846
Energy: 1.2340590921311685
Energy: 1.2940702766584764
Energy: 1.2219389417688802
Energy: 1.3556570632710243
Energy: 1.2349104563838371
Energy: 1.1992071840393983
Energy: 1.3469823233075044
Energy: 1.231540928101945
Energy: 1.2340589398605344
Energy: 1.232006810269514
Energy: 1.3477593465271922
Energy: 1.2433964157403032
Energy: 1.3475955275799432
Energy: 1.2343960944105419
Energy: 1.234667812608662
Energy: 1.2845864877804527
Energy: 1.2471083316206872
Energy: 1.2315395666342484
Energy: 1.2330089779262867
Energy: 1.2436179202137079
Energy: 1.206527668352965
Energy: 1.2355865194896385
Energy: 1.2323003372875168
Energy: 1.234079609808097
Energy: 1.3493181993268462
Energy: 1.3485457631896796
Energy: 1.2075905564805385
Energy: 1.3554131363930317
Energy: 1.2357883615458365
Energy: 1.2427761839517275
Energy: 1.3465812996145987
Energy: 1.2379188391546099
Energy: 1.2343402887453914
Energy: 1.2839523044469492
Energy: 1.3467073774196734
Energy: 1.2349224022486218
Energy: 1.2352656666713042
Energy: 1.283196659275202
Energy: 1.236409088723094
Energy: 1.2823947088232859
Energy: 1.3460819804015174
Energy: 1.2337436620724391
Energy: 1.3263946318578332
Energy: 1.327725198025612
Energy: 1.2947468991865745
Energy: 1.3276065262648709
Energy: 1.2343153750600535
Energy: 1.2344058780406781
Energy: 1.3273228578099703
Energy: 1.3070552864728313
Energy: 1.2344017901656574
Energy: 1.3271721549488185
Energy: 1.3262326850627704
Energy: 1.2360050504561284
Energy: 1.2831338502022587
Energy: 1.236367236586136
Energy: 1.2322754823187714
Energy: 1.2842358427793321
Energy: 1.2833389151717705
Energy: 1.2339815589813814
Energy: 1.2844832971269526
Energy: 1.3468083319137176
Energy: 1.2322245574547024
Energy: 1.3465905254382824
Energy: 1.2338829281390002
Energy: 1.2347407756296465
Energy: 1.3489608796726886
Energy: 1.236700697542189
Energy: 1.2354379833251958
Energy: 1.3511655006487524
Energy: 1.3998298059667982
Energy: 1.2216239928757167
Energy: 1.3554769746338922
Energy: 1.2318643744008904
Energy: 1.2347342632896523
Energy: 1.233694473509094
Energy: 1.3561425595730285
Energy: 1.2330756229336097
Energy: 1.3573827859342193
Energy: 1.3473037231090381
Energy: 1.221905117983856
Energy: 1.2853039627840646
Energy: 1.2339684045472517
Energy: 1.2351610632158867
Energy: 1.2315100106011958
Energy: 1.3511523029484689
Energy: 1.2296900308817496
Energy: 1.2840108625429487
Energy: 1.2317787300191685
Energy: 1.2000215762623923
Energy: 1.35483788398824
Energy: 1.2343241470471649
Energy: 1.2406018839655937
Energy: 1.2343199809063985
Energy: 1.3467203686742348

minimum gb energy = 1.1992071840393983 eV
minimum distance =  2.21186927008058 Angstroms
sigma value = 101


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

Energy: 1.7657784769938532
Energy: 1.3721762692723265
Energy: 1.2288280487041714
Energy: 1.224765763976333
Energy: 1.2300928999009046
Energy: 1.245589263573494
Energy: 1.2400589637044244
Energy: 1.2201063380495307
Energy: 1.224474652626301
Energy: 1.2648961882782683
Energy: 1.3425846015243725
Energy: 1.2243614560333715
Energy: 1.2313362688172462
Energy: 1.229655077209713
Energy: 1.2404924535840918
Energy: 1.2473319123983082
Energy: 1.3430056476498458
Energy: 1.2294655401746628
Energy: 1.2379860644742173
Energy: 1.355032333641117
Energy: 1.3594371878114455
Energy: 1.2235397857093075
Energy: 1.343083441298465
Energy: 1.219587504563569
Energy: 1.2395195245342852
Energy: 1.2133332593029609
Energy: 1.2272170478518594
Energy: 1.2242553149243964
Energy: 1.2139546193551385
Energy: 1.3699094862085095
Energy: 1.216068369200953
Energy: 1.4365430255766232
Energy: 1.2240742521039352
Energy: 1.2228576515208762
Energy: 1.3185335610809656
Energy: 1.2213083366856579
Energy: 1.2330134790071887
Energy: 1.2672551083640191
Energy: 1.3392544367061952
Energy: 1.3329321932418696
Energy: 1.3230216745623966
Energy: 1.2639790782693157
Energy: 1.2178967679839239
Energy: 1.2668646889121782
Energy: 1.4334342518272036
Energy: 1.2009223987343616
Energy: 1.3890314505418953
Energy: 1.2611447258427213
Energy: 1.241983586062239
Energy: 1.302719014705063
Energy: 1.340053329814511
Energy: 1.223882664905465
Energy: 1.326753382853321
Energy: 1.2667895558099767
Energy: 1.2177043144848787
Energy: 1.3433616116660123
Energy: 1.3394939601057558
Energy: 1.2243845713763764
Energy: 1.3417289860220034
Energy: 1.2163842822803583
Energy: 1.228361114868956
Energy: 1.2123228705309352
Energy: 1.2152245888572293
Energy: 1.235405156820415
Energy: 1.213749525872523
Energy: 1.2083437734810192
Energy: 1.2302736057901589
Energy: 1.205255801495479
Energy: 1.354673695444874
Energy: 1.2235774700969235
Energy: 1.228984604248358
Energy: 1.3698742263778834
Energy: 1.2426726503270245
Energy: 1.2325499747570412
Energy: 1.3484079457630826
Energy: 1.21997273501758
Energy: 1.3406721532960388
Energy: 1.2325242014497033
Energy: 1.2294706978435939
Energy: 1.231677521469352
Energy: 1.2056615667450974
Energy: 1.2224464285784171
Energy: 1.3310743798087146
Energy: 1.231853307835615
Energy: 1.2551188566896363
Energy: 1.2119188615055732
Energy: 1.2251601654169286
Energy: 1.2226085411577632
Energy: 1.208993995039566
Energy: 1.3269200252698437
Energy: 1.2542844447524253
Energy: 1.2055928567427123
Energy: 1.2244127728968424
Energy: 1.228757021971254
Energy: 1.2243915306685387
Energy: 1.2196912872066985
Energy: 1.2288699139676407
Energy: 1.2293036799365153
Energy: 1.3732850681453836
Energy: 1.191812335947311
Energy: 1.2096136838747178
Energy: 1.229278397718215
Energy: 1.2244996521814453
Energy: 1.2245095815333729
Energy: 1.3754504468881104
Energy: 1.2401320606456088
Energy: 1.3315180969573313
Energy: 1.2235777891693846
Energy: 1.1985716460291045
Energy: 1.3412379005524793
Energy: 1.2289343737165541
Energy: 1.2296545107102967
Energy: 1.2296172329738912
Energy: 1.1982603424541312
Energy: 1.2308598904773973
Energy: 1.2057556210829914
Energy: 1.2198054222367534
Energy: 1.219368810388903
Energy: 1.3564067032808713
Energy: 1.2205119296588454
Energy: 1.222830742843006
Energy: 1.2134618395893924
Energy: 1.2123612274055109
Energy: 1.2399721389087968
Energy: 1.2121078371815635
Energy: 1.224862314357844
Energy: 1.2227904012153368
Energy: 1.2164441963784316
Energy: 1.3199834270112798
Energy: 1.2604307214233292
Energy: 1.2091712861531563
Energy: 1.2246686647306948
Energy: 1.223358288832128
Energy: 1.341096799805191
Energy: 1.2646708231799135
Energy: 1.2189954008437314
Energy: 1.3213977052859942
Energy: 1.3406497361294478
Energy: 1.2012686461464308
Energy: 1.2981972831033193
Energy: 1.2684663901477036
Energy: 1.2373062340048484
Energy: 1.2980988034336944
Energy: 1.2243386927865694
Energy: 1.2247409679100554
Energy: 1.3248105599712334
Energy: 1.298023130669982
Energy: 1.24207297965318
Energy: 1.265571385891153
Energy: 1.339205276914305
Energy: 1.2246621082307039
Energy: 1.3409394035204998
Energy: 1.2621099021931979
Energy: 1.2180822241252782
Energy: 1.342639003989823
Energy: 1.3388254462450189
Energy: 1.2302293981991093
Energy: 1.206785414852504
Energy: 1.2064419357784923
Energy: 1.2313825140002645
Energy: 1.2066529177034218
Energy: 1.2128156975956812
Energy: 1.2286059227557493
Energy: 1.213577401245048
Energy: 1.2140252024001086
Energy: 1.2293112204055123
Energy: 1.2130691256018158
Energy: 1.2243044094475914
Energy: 1.2204057644444035
Energy: 1.3324418950473442
Energy: 1.2202587142139683
Energy: 1.220282826854287
Energy: 1.2422333459509736
Energy: 1.20613099002797
Energy: 1.2201560137706111
Energy: 1.3320507496377951
Energy: 1.2291632846691525
Energy: 1.2292907402758482
Energy: 1.2237638389322818
Energy: 1.2060119382065624
Energy: 1.224122523594991
Energy: 1.223910587218693
Energy: 1.2040047877119475
Energy: 1.2544806965321955
Energy: 1.2117538215795811
Energy: 1.2245695705137618
Energy: 1.22947977719081
Energy: 1.2291855317384814
Energy: 1.2134200406541855
Energy: 1.2545899327177814
Energy: 1.2123034913549287
Energy: 1.2294193806290281
Energy: 1.1924382899623123
Energy: 1.2307595178466832
Energy: 1.2290712654186216
Energy: 1.2296577683377377
Energy: 1.2240513133634674
Energy: 1.3676979677137908

minimum gb energy = 1.191812335947311 eV
minimum distance =  2.21109322202127 Angstroms
sigma value = 33


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

Energy: 0.01483521208207186
Energy: 0.015309172124917095
Energy: 0.09116297208732273
Energy: 0.09124204481743131
Energy: 0.0908255005853581
Energy: 0.015316727307991043
Energy: 0.015320677717752283
Energy: 0.10341257775118942
Energy: 0.10300836924086516
Energy: 0.10448483761063344
Energy: 0.1033384984500249
Energy: 0.10335877491711694
Energy: 0.5126594579774569
Energy: 0.08970038966227047
Energy: 0.015484526246833288
Energy: 0.016507525149394724
Energy: 0.22119655486701875
Energy: 0.2198556936842273
Energy: 0.10317628706434027
Energy: 0.10341257774761307
Energy: 0.10300836924159668
Energy: 0.10448483761063344
Energy: 0.10333849842998916
Energy: 0.10335877491638541

minimum gb energy = 0.01483521208207186 eV
minimum distance =  2.41044352156482 Angstroms
sigma value = 1