Model name: model_name=Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999980926514
cohesive_energy=4.450349977697172
mass=58.6934
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=[2.01859836294294e-19, 2.95082483743584e-19, 3.6110978500735796e-19, 4.1326063444405797e-19, 4.56549844918104e-19, 4.93415929266444e-19, 5.25268802926998e-19, 5.53024910934414e-19, 5.773315326488279e-19, 5.98678934120244e-19, 6.1744202468101795e-19, 6.33922013538342e-19, 6.483592271873159e-19, 6.609555398838239e-19, 6.718775779978019e-19, 6.812647308964079e-19, 6.892435705337279e-19, 6.95915034037704e-19, 7.01372047653108e-19, 7.0569472021164e-19, 7.089567518384639e-19, 7.112190252456719e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125071752594079e-19, 7.11017150989788e-19, 7.08319085538132e-19, 7.04195082882216e-19, 6.983903969372339e-19, 6.905974097894579e-19, 6.804492229897019e-19, 6.67494022727178e-19, 6.5118867112296e-19, 6.308666626973039e-19, 6.057028764837e-19, 5.746719194363879e-19, 5.364888458949e-19, 4.895290487523599e-19, 4.3171290273783596e-19, 3.60351955459476e-19, 2.71927827029016e-19, 1.6177177473497999e-19, 2.3577631345944e-20, -1.5130555587337498e-19, -3.7501347383721e-19, -6.649577771155559e-19, -1.04684619088926e-18, -1.55988718174557e-18, -2.26624680526032e-18, -3.2694176611067397e-18, -4.7522161141074e-18, -6.32933470555164e-18, -7.214825687630759e-18, -8.707028917472999e-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: 0.01810199787551116
Energy: 1.9679306581488196
Energy: 0.018535379586721926
Energy: 0.01841098463606019
Energy: 2.445639537447373
Energy: 0.018542558473723457
Energy: 2.055532632360018
Energy: 0.15976893925915253
Energy: 0.15932345970941922
Energy: 2.0701419925801683
Energy: 0.1575726977583411
Energy: 0.15890406976249982
Energy: 0.018535379586721926
Energy: 0.159323459710044
Energy: 0.15850958969075998
Energy: 0.018529998260531404
Energy: 0.15766507048363465
Energy: 0.15830099962673802
Energy: 0.018410984641536177
Energy: 1.9417454175017375
Energy: 0.018529998261192938
Energy: 0.01840822062207573
Energy: 0.15748559174825313
Energy: 0.018598964669546914
Energy: 2.4456414094851424
Energy: 0.15757269775801033
Energy: 0.15766507048363465
Energy: 0.15748559174825313
Energy: 0.1572621060244107
Energy: 0.157794435322277
Energy: 0.018542558473723457
Energy: 0.1589040697618383
Energy: 0.15830099962706878
Energy: 0.018598964669546914
Energy: 0.1577944353229385
Energy: 0.018321215541199563

minimum gb energy = 0.01810199787551116 eV
minimum distance =  2.4868127284617 Angstroms
sigma value = 1


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

Energy: 1.8355396783156952
Energy: 3.0225469274489805
Energy: 1.231061630803654
Energy: 1.22134055133462
Energy: 2.8230204678678024
Energy: 1.2310537940100021
Energy: 1.727782391842832
Energy: 1.2101035039668768
Energy: 1.19111727290825
Energy: 1.1902380676378332
Energy: 1.2484022455266288
Energy: 1.2034556558327063
Energy: 1.9199394054147296
Energy: 1.1908862808583724
Energy: 1.1648354079938024
Energy: 1.1646833649645831
Energy: 1.2489056002469612
Energy: 1.1647901032247876
Energy: 1.9432380187786096
Energy: 1.176873959920573
Energy: 1.164063780554095
Energy: 1.1645945653927754
Energy: 1.190234684754401
Energy: 1.164274933740559
Energy: 1.7697773871383038
Energy: 1.2217029564711888
Energy: 1.2214373402120673
Energy: 1.2243574766713654
Energy: 1.2213214627823377
Energy: 1.223080284576738
Energy: 1.7167180598140757
Energy: 1.2061495206208073
Energy: 1.204004267202556
Energy: 1.2070851764725055
Energy: 1.2216907750039019
Energy: 1.2056703428329807
Energy: 1.713351526928544
Energy: 1.2041928036269345
Energy: 1.2050438581568668
Energy: 1.2069332005299187
Energy: 1.2040963037355126
Energy: 1.2075834592500356
Energy: 1.6826435553709262
Energy: 1.227335588306339
Energy: 1.226145413004879
Energy: 1.1940916911589672
Energy: 1.2251876728561668
Energy: 1.206643162980614
Energy: 1.349626447361641
Energy: 1.205469243612054
Energy: 1.2063298747310762
Energy: 1.2210269569499865
Energy: 1.2253308439488089
Energy: 1.2055366409030186
Energy: 1.349215090023128
Energy: 1.2261448715831742
Energy: 1.2246505376396735
Energy: 1.221073660030449
Energy: 1.2279304630070718
Energy: 1.2244865990610374
Energy: 1.4184063709154144
Energy: 1.177173349111613
Energy: 1.1770637149101435
Energy: 1.3021126729416652
Energy: 1.1771215700653435
Energy: 1.146065782573482
Energy: 1.2507740861328278
Energy: 1.1645147413780927
Energy: 1.1648482084971608
Energy: 1.2498693860456205
Energy: 1.1962807362858139
Energy: 1.1650424160769395
Energy: 1.2489537664957369
Energy: 1.191616781345317
Energy: 1.2031350083697163
Energy: 1.2488921557101955
Energy: 1.1692903275193434
Energy: 1.1873758788815196
Energy: 1.2670229027856097
Energy: 1.1645690255206618
Energy: 1.1637663511007057
Energy: 1.2490258363443834
Energy: 1.1645715117752626
Energy: 1.163750073621232
Energy: 1.2674301199502278
Energy: 1.2225915957065947
Energy: 1.2227055176291945
Energy: 1.2280735039418544
Energy: 1.2071792412966895
Energy: 1.2141619930989942
Energy: 1.2671028128173625
Energy: 1.1649097914506399
Energy: 1.1645357361363886
Energy: 1.228739493738919
Energy: 1.1985686201100314
Energy: 1.1647550229946573
Energy: 1.4993369408902177
Energy: 1.2049716898489398
Energy: 1.204715317838295
Energy: 1.1646155203789779
Energy: 1.2055248774283982
Energy: 1.164774594198292
Energy: 1.5012901550290405
Energy: 1.2080788870999446
Energy: 1.2278873276446771
Energy: 1.2271815523039526
Energy: 1.2066439764770454
Energy: 1.2270770054455595
Energy: 1.5006831601170068
Energy: 1.2271758134953223
Energy: 1.2267676315185971
Energy: 1.226900762589238
Energy: 1.2294593832461755
Energy: 1.227597899145264
Energy: 1.7591149480885788
Energy: 1.2277258899895072
Energy: 1.2277315393230686
Energy: 1.2294803629655229
Energy: 1.2298175905265272
Energy: 1.2273660640169393
Energy: 1.8274716136018407
Energy: 1.1654033622749924
Energy: 1.177051004703088
Energy: 1.1773237143750597
Energy: 1.1799078373721348
Energy: 1.17728335180117
Energy: 1.8265793819742124
Energy: 1.198049157878758
Energy: 1.1696912492924258
Energy: 1.222747936516012
Energy: 1.2306415962958908
Energy: 1.1646953593210707
Energy: 1.9007342782985757
Energy: 1.2277090697772925
Energy: 1.2066454404745544
Energy: 1.1773743337755946
Energy: 1.2274530214669317
Energy: 1.222598711003314

minimum gb energy = 1.146065782573482 eV
minimum distance =  2.28133602688108 Angstroms
sigma value = 33


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

Energy: 2.2883593433217153
Energy: 2.6414652890186776
Energy: 1.3046498389623131
Energy: 1.305952923387457
Energy: 2.3857975761053463
Energy: 1.3048671502262428
Energy: 1.7361815275661505
Energy: 1.2813647042694476
Energy: 1.2388099033467392
Energy: 1.23151030851193
Energy: 1.2815888950842715
Energy: 1.2200225528000332
Energy: 1.8551166243292379
Energy: 1.2486654674541815
Energy: 1.249074086853603
Energy: 1.1883817353624957
Energy: 1.265321449422135
Energy: 1.2170191195527962
Energy: 1.8579705948400909
Energy: 1.2454763056936218
Energy: 1.2455015802265819
Energy: 1.1883070290868751
Energy: 1.2452333337948565
Energy: 1.190289312994896
Energy: 1.6347462263458372
Energy: 1.2849896920738566
Energy: 1.2861362329836157
Energy: 1.281206798773925
Energy: 1.284958638555952
Energy: 1.2568554344526306
Energy: 1.7745104848776085
Energy: 1.2850049343157757
Energy: 1.2385807366911448
Energy: 1.250197506289675
Energy: 1.28610931383796
Energy: 1.2389532615430345
Energy: 1.773723644313223
Energy: 1.237472186112412
Energy: 1.2389677729198136
Energy: 1.2502076345737225
Energy: 1.2376935060613776
Energy: 1.2502677605192851
Energy: 1.649044674333513
Energy: 1.2549401270521854
Energy: 1.2546820590104804
Energy: 1.2448702791470527
Energy: 1.255189863009646
Energy: 1.2562997263909685
Energy: 1.4013711114534613
Energy: 1.254227943812678
Energy: 1.2736150252923844
Energy: 1.300427091202435
Energy: 1.2545410769637508
Energy: 1.2734156366050025
Energy: 1.400855468527277
Energy: 1.2690890919269935
Energy: 1.2737732184347261
Energy: 1.2904671321148438
Energy: 1.2735457784842708
Energy: 1.2737710258085118
Energy: 1.4483397863039627
Energy: 1.1594264094225246
Energy: 1.1591819853529113
Energy: 1.316054339288849
Energy: 1.1597478926292548
Energy: 1.1659511072853288
Energy: 1.2987197080035353
Energy: 1.1707631640842746
Energy: 1.207769108209844
Energy: 1.2787762068340072
Energy: 1.167144572733182
Energy: 1.2286278480128556
Energy: 1.297824599545239
Energy: 1.2611904477281652
Energy: 1.2612943169643591
Energy: 1.2866024962127967
Energy: 1.2478367133639383
Energy: 1.265852211369192
Energy: 1.5108895223963839
Energy: 1.18792907936771
Energy: 1.1901533529245143
Energy: 1.3009895347806881
Energy: 1.188444536628014
Energy: 1.1767605098898017
Energy: 1.4079742260440553
Energy: 1.2696304269671044
Energy: 1.2675859789589097
Energy: 1.2716102086535719
Energy: 1.2759344301574151
Energy: 1.2734842997460307
Energy: 1.408497287122692
Energy: 1.2159530604891255
Energy: 1.2161975766248252
Energy: 1.2726049806436897
Energy: 1.240227115594785
Energy: 1.2185903444593187
Energy: 1.3146200865851256
Energy: 1.240040497312273
Energy: 1.2398695974461071
Energy: 1.2028345219130796
Energy: 1.2400202348607758
Energy: 1.2071381180456475
Energy: 1.5895187143067513
Energy: 1.2949118705172784
Energy: 1.296818925055591
Energy: 1.255370334360082
Energy: 1.296324227455839
Energy: 1.2560051912056402
Energy: 1.5895660097483961
Energy: 1.2877491474846405
Energy: 1.2866952816585944
Energy: 1.2548446926480485
Energy: 1.2964667781560013
Energy: 1.269374425856661
Energy: 1.4402730019939831
Energy: 1.264930529987446
Energy: 1.2660903127795795
Energy: 1.254642989864737
Energy: 1.2648631921798035
Energy: 1.2408239176443112
Energy: 1.9715251000198717
Energy: 1.1295508481141028
Energy: 1.1295085756772743
Energy: 1.1301118485690316
Energy: 1.1369073071420022
Energy: 1.1296120029671366
Energy: 1.9740541410875918
Energy: 1.1965451579908395
Energy: 1.1356065979796215
Energy: 1.1302188945020013
Energy: 1.1991631337800426
Energy: 1.135791016345738
Energy: 1.4408361490119672
Energy: 1.2468036726675866
Energy: 1.2641841492462569
Energy: 1.202542981576466
Energy: 1.2470348453740698
Energy: 1.237081500078883
Energy: 1.870187481362626
Energy: 1.2729639337685152
Energy: 1.260058131853003
Energy: 1.1879273189504997
Energy: 1.2731263018604013
Energy: 1.2206494571544486
Energy: 1.4402606155272573
Energy: 1.2812773603319707
Energy: 1.279957589499982
Energy: 1.2578985617304759
Energy: 1.2811177431698526
Energy: 1.2411316356636244
Energy: 1.7884723901361008
Energy: 1.2815320170326527
Energy: 1.2157736658725085
Energy: 1.2223845660882846
Energy: 1.2809826837268827
Energy: 1.2131474954031385
Energy: 1.7876345945163297
Energy: 1.2135328538746522
Energy: 1.2131198687256164
Energy: 1.2226561262452271
Energy: 1.2100715603596321
Energy: 1.2217737021366604
Energy: 1.6444500965567772
Energy: 1.2547594094904966
Energy: 1.255311980827932
Energy: 1.2805797448396459
Energy: 1.2545954141299387
Energy: 1.2699016342208935
Energy: 1.4011365601122423
Energy: 1.2546723293839706
Energy: 1.255472803991186
Energy: 1.306514796184265
Energy: 1.254982285833739
Energy: 1.2663430239286348
Energy: 1.4012088771592823
Energy: 1.283638320261382
Energy: 1.2885013658988436
Energy: 1.297208343761205
Energy: 1.281201392308084
Energy: 1.2717158745734407
Energy: 1.6336172565435887
Energy: 1.1595469368175777
Energy: 1.1656457173751906
Energy: 1.2333042136011236
Energy: 1.1592930762546316
Energy: 1.1656322260684495
Energy: 1.2974941831489588
Energy: 1.1594959697505918
Energy: 1.1666723575419413
Energy: 1.2540911289788632
Energy: 1.1594328776840543
Energy: 1.2044699826475918
Energy: 1.2974130883522086
Energy: 1.2865366663936972
Energy: 1.2902141713432291
Energy: 1.2720129004110527
Energy: 1.2859250347885152
Energy: 1.2611001487252225
Energy: 1.2980350292814964
Energy: 1.1878820130110836
Energy: 1.1772661726841904
Energy: 1.281421837090496
Energy: 1.1886999928329869
Energy: 1.164478497335538
Energy: 1.390939202251344
Energy: 1.2862470624068814
Energy: 1.2847495358392813
Energy: 1.2754635107415855
Energy: 1.2603063599880413
Energy: 1.2682497073628987
Energy: 1.3938560800356175
Energy: 1.2270266769756328
Energy: 1.2271474339083273
Energy: 1.2859630574866705
Energy: 1.2271949385161525
Energy: 1.2275593789105583
Energy: 1.3911949103404277
Energy: 1.2282762239131526
Energy: 1.2290741503112024
Energy: 1.2297859865721277
Energy: 1.2279299647857564
Energy: 1.2362817897768268
Energy: 1.5899893603882722
Energy: 1.2680777896886992
Energy: 1.2612373208108976
Energy: 1.2546888023070113
Energy: 1.2696082461598672
Energy: 1.2601886549987693
Energy: 1.5892354099142747
Energy: 1.2655213898543567
Energy: 1.2682037713768461
Energy: 1.2551778342973021
Energy: 1.2652112536139168
Energy: 1.2557635396278108
Energy: 1.763166130060011
Energy: 1.302311514067776
Energy: 1.2819302435343929
Energy: 1.2745692954520518
Energy: 1.3023310373943155
Energy: 1.2574567895856954
Energy: 1.8794982503847593
Energy: 1.2382614548145061
Energy: 1.1853373688565938
Energy: 1.1821024447117698
Energy: 1.2385346225553344
Energy: 1.185101586138439

minimum gb energy = 1.1295085756772743 eV
minimum distance =  2.30294135459026 Angstroms
sigma value = 51


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

Energy: 1.9009177848449708
Energy: 2.691060863606857
Energy: 1.3910353858759585
Energy: 1.2825007989454418
Energy: 2.7472104107887034
Energy: 1.2733950436363888
Energy: 1.4655286369232716
Energy: 1.2754280560651452
Energy: 1.2753435189733824
Energy: 1.2766604308879939
Energy: 1.275497775613541
Energy: 1.263167620830423
Energy: 1.734840321516471
Energy: 1.2754309199240785
Energy: 1.2750485289231168
Energy: 1.2189664799856899
Energy: 1.2759792063454445
Energy: 1.2106033461543177
Energy: 1.7312081559617676
Energy: 1.2433550659330566
Energy: 1.2069910292713222
Energy: 1.2160241241797882
Energy: 1.2408598854360604
Energy: 1.2068061696862131
Energy: 1.31466773483574
Energy: 1.2786586195673553
Energy: 1.2782873707108946
Energy: 1.2803027554181652
Energy: 1.2794465063185447
Energy: 1.2765357031197708
Energy: 1.4673487923299218
Energy: 1.2815109362064545
Energy: 1.2554345876125421
Energy: 1.280243821671854
Energy: 1.2801877118168332
Energy: 1.2757184888033963
Energy: 1.4670824632497563
Energy: 1.2811040214341691
Energy: 1.2762776123009152
Energy: 1.2802252878096012
Energy: 1.259242681244377
Energy: 1.2794019368951441
Energy: 1.4805126460353162
Energy: 1.191678860180543
Energy: 1.185411790835395
Energy: 1.2431712792325424
Energy: 1.1940743982030824
Energy: 1.1785666322168802
Energy: 1.2757088423723002
Energy: 1.1778362950267323
Energy: 1.1782382857779947
Energy: 1.2758628613816423
Energy: 1.1932031298348202
Energy: 1.2359467716940982
Energy: 1.275917560674488
Energy: 1.2729090857959595
Energy: 1.2742763588093393
Energy: 1.2757442555143317
Energy: 1.2529521232171337
Energy: 1.2752558141898822
Energy: 1.2760841754449328
Energy: 1.215508719559867
Energy: 1.215673264032332
Energy: 1.2760736080496984
Energy: 1.2417414061140324
Energy: 1.2066989161432666
Energy: 1.306649558082631
Energy: 1.2731540315909777
Energy: 1.3039748675770435
Energy: 1.2428212253001392
Energy: 1.2074022818833094
Energy: 1.2708444854001193
Energy: 1.3064155741165784
Energy: 1.2109908690634115
Energy: 1.2104219573007233
Energy: 1.2711348443711659
Energy: 1.217622197583895
Energy: 1.2348559655142923
Energy: 1.3069217224662206
Energy: 1.2182704599817293
Energy: 1.2179658828724078
Energy: 1.201042153715116
Energy: 1.2181219174498126
Energy: 1.2176786527760062
Energy: 1.5657422971182031
Energy: 1.2108853110659334
Energy: 1.2112624452580956
Energy: 1.2342845585541757
Energy: 1.2144009068857795
Energy: 1.2174878429641094
Energy: 1.5662179578738928
Energy: 1.2712131504378126
Energy: 1.2113097870920546
Energy: 1.2334245199222535
Energy: 1.271743966605812
Energy: 1.2341019243854165
Energy: 1.7647220156013455
Energy: 1.2718635524537816
Energy: 1.2712793563469778
Energy: 1.217936319111172
Energy: 1.2720681562978664
Energy: 1.2708603659860402
Energy: 1.8925779580985425
Energy: 1.275617057213377
Energy: 1.209516683600069
Energy: 1.1934922933604815
Energy: 1.2758308786050367
Energy: 1.209784878236554

minimum gb energy = 1.1778362950267323 eV
minimum distance =  2.2974161654426 Angstroms
sigma value = 19


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

Energy: 1.6147319192744376
Energy: 2.147910996697297
Energy: 1.192275009890616
Energy: 1.3889400890881929
Energy: 2.156459108475534
Energy: 1.191332955926425
Energy: 1.3850469977733992
Energy: 1.1765677591833925
Energy: 1.1762715902578351
Energy: 1.1789262763407402
Energy: 1.1765401458076128
Energy: 1.1762895207336548
Energy: 1.7440380830596545
Energy: 1.1764716502327999
Energy: 1.1765449398932508
Energy: 1.1787963136905746
Energy: 1.1765092363247767
Energy: 1.1766476706442155
Energy: 1.3826633294532276
Energy: 1.176159731727979
Energy: 1.1761465341309874
Energy: 1.2061771428912937
Energy: 1.1760937637689126
Energy: 1.176062284394922
Energy: 1.7437688268958644
Energy: 1.2199116867342206
Energy: 1.2203495297595015
Energy: 1.2153011673150882
Energy: 1.2204333318544234
Energy: 1.220512954021608
Energy: 1.3897897813730047
Energy: 1.142924006728218
Energy: 1.2194686471702414
Energy: 1.2165159498841367
Energy: 1.1427551149419257
Energy: 1.2114818801653364
Energy: 1.3855748381419402
Energy: 1.2204619312196663
Energy: 1.2121370958596005
Energy: 1.2158603531376366
Energy: 1.1530533119612913
Energy: 1.2124660892700125
Energy: 1.344306029548705
Energy: 1.1259302196861698
Energy: 1.1260598992814572
Energy: 1.1769736406203006
Energy: 1.12599246327528
Energy: 1.1259489276077217
Energy: 1.1758766392226074
Energy: 1.124283031504113
Energy: 1.1245042288777878
Energy: 1.1759608627270375
Energy: 1.1242124399055005
Energy: 1.1396579907090854
Energy: 1.1762701017618205
Energy: 1.1797647098062112
Energy: 1.1763919252616915
Energy: 1.1759513954619314
Energy: 1.2141383841649598
Energy: 1.1766101196213121
Energy: 1.1766260283711343
Energy: 1.2076831137638944
Energy: 1.2074841718742886
Energy: 1.1766787102875051
Energy: 1.2067650912742067
Energy: 1.1762159608684732
Energy: 1.3853130807246496
Energy: 1.220436875060151
Energy: 1.2195505394523798
Energy: 1.1760458334899475
Energy: 1.2146678562927302
Energy: 1.175597955320405
Energy: 1.1434888030917776
Energy: 1.2132032171883367
Energy: 1.214080729031827
Energy: 1.1431156392894242
Energy: 1.2146372563757848
Energy: 1.218946933473406
Energy: 1.3855166193308948
Energy: 1.217575334760624
Energy: 1.2149714566006957
Energy: 1.17836933203867
Energy: 1.2368723941006416
Energy: 1.2132556941593875
Energy: 1.6196592144399458
Energy: 1.1760736673519605
Energy: 1.175654690611891
Energy: 1.1239761076952735
Energy: 1.1762568247132974
Energy: 1.1241481535168147
Energy: 1.6197547692916663
Energy: 2.11878453359876
Energy: 1.126207789243899
Energy: 1.1247046330989083
Energy: 1.1761954826688863
Energy: 1.126664997554565
Energy: 1.7438589829424784
Energy: 1.1763973960701117
Energy: 1.1763142186626647
Energy: 1.2152116718842325
Energy: 1.176106172059826
Energy: 1.1763004205649037
Energy: 1.3800699135793855
Energy: 1.1763112180146194
Energy: 1.17635359761741
Energy: 1.2062719715400054
Energy: 1.1762514959897556
Energy: 1.1759992913748072
Energy: 1.3797825293916361
Energy: 1.1764639123130094
Energy: 1.1765766353979306
Energy: 1.2063789073511093
Energy: 1.1762963592631916
Energy: 1.1757981846452827
Energy: 1.3870132409348461
Energy: 1.142736863699258
Energy: 1.2207744411041408
Energy: 1.2147079859992351
Energy: 1.1427528450502757
Energy: 1.2198077502603366
Energy: 1.3827942284823194
Energy: 1.2131790534804134
Energy: 1.2131697994150932
Energy: 1.2421774654673432
Energy: 1.2201783806076005
Energy: 1.2146324554454129
Energy: 1.3858704236554915
Energy: 1.219680738666012
Energy: 1.2198597532926332
Energy: 1.2141783702561635
Energy: 1.177018207558739
Energy: 1.219847005376764
Energy: 1.1533317781277215
Energy: 1.1257118997369089
Energy: 1.1268675853487198
Energy: 1.1533820329652522
Energy: 1.1252525891599765
Energy: 1.122448317466538
Energy: 1.176364710402706
Energy: 1.1780604968753925
Energy: 1.1767446227298106
Energy: 1.1765612765830824
Energy: 1.1242719175100107
Energy: 1.1759887167941108
Energy: 1.176525290784
Energy: 1.1757446684499915
Energy: 1.1766793317442448
Energy: 1.176572654938215
Energy: 1.1780120697743235
Energy: 1.1765733617094807
Energy: 1.3452564915515224
Energy: 1.2063084975618816
Energy: 1.2064132572070896
Energy: 1.1761323866992601
Energy: 1.2063423044228514
Energy: 1.1760444684776465
Energy: 1.3850973348197402
Energy: 1.214280503097539
Energy: 1.2197262999087528
Energy: 1.2209177956618844
Energy: 1.2162763796337432
Energy: 1.2201747765596256
Energy: 1.1430621584226384
Energy: 1.21526833398411
Energy: 1.2123349867722129
Energy: 1.1427744155794755
Energy: 1.2156480776257244
Energy: 1.2194703987070974
Energy: 1.3868004009462422
Energy: 1.2147329214759126
Energy: 1.2129419934682897
Energy: 1.152635821235516
Energy: 1.2148209043204654
Energy: 1.211672402922413
Energy: 1.6196504192011663
Energy: 1.1779152981991143
Energy: 1.1398669743966918
Energy: 1.1236721173476896
Energy: 1.1761184138358782
Energy: 1.1257750895007546

minimum gb energy = 1.122448317466538 eV
minimum distance =  2.34682773128825 Angstroms
sigma value = 27


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

Energy: 1.3877658441543266
Energy: 2.6821230521497257
Energy: 1.3916925063527248
Energy: 1.230215606522695
Energy: 2.6320867694549634
Energy: 1.3918517167954934
Energy: 1.3835159341633434
Energy: 1.1845564586426394
Energy: 1.1848530138552318
Energy: 1.1110482468658258
Energy: 1.1845205125733647
Energy: 1.1085681602195534
Energy: 1.2492071423774702
Energy: 1.1847419875270555
Energy: 1.1853783920285224
Energy: 1.1103212251850274
Energy: 1.185676113930992
Energy: 1.1429299362149916
Energy: 1.249238459355416
Energy: 1.185667332162613
Energy: 1.1298361012324838
Energy: 1.1109235522694256
Energy: 1.1855829403322562
Energy: 1.1089010928872607
Energy: 1.3845960957165295
Energy: 1.0420221580561813
Energy: 1.1095750415915842
Energy: 1.1857925107334488
Energy: 1.0415200630296835
Energy: 1.108634130195869
Energy: 1.1844411829955601
Energy: 1.0429317959770394
Energy: 1.0431464840279843
Energy: 1.1849791086565373
Energy: 1.0425398127063081
Energy: 1.0434396256545375
Energy: 1.1860975585903442
Energy: 1.1088207198948818
Energy: 1.142945983566558
Energy: 1.1862291712220707
Energy: 1.109374547853933
Energy: 1.1848345099645128
Energy: 1.184778751610705
Energy: 1.1043952639422012
Energy: 1.1042951340229186
Energy: 1.1855479104126476
Energy: 1.1046112981937017
Energy: 1.1052038478972286
Energy: 1.2495009378291044
Energy: 1.1064451371261883
Energy: 1.141639512299687
Energy: 1.1846963302938696
Energy: 1.1050038607549888
Energy: 1.1416929132859033
Energy: 1.1054739248379548
Energy: 1.1282036161515896
Energy: 1.1593469846991953
Energy: 1.1276205596484394
Energy: 1.128137578769585
Energy: 1.1264438449775087
Energy: 1.2491772495817002
Energy: 1.1307780320030292
Energy: 1.1310487007038497
Energy: 1.1283976742023762
Energy: 1.178350116835503
Energy: 1.1292598568421528
Energy: 1.1058558594410757
Energy: 1.1628700672247139
Energy: 1.141812805026919
Energy: 1.1112364375328727
Energy: 1.1293961990931338
Energy: 1.1094577736893139

minimum gb energy = 1.0415200630296835 eV
minimum distance =  2.28822552809779 Angstroms
sigma value = 9


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

Energy: 2.1863118176555503
Energy: 3.360878499956752
Energy: 1.169728446175595
Energy: 1.1628920757338246
Energy: 2.945996060087614
Energy: 1.1685988086560288
Energy: 1.3171382785119679
Energy: 1.0289302142197403
Energy: 1.0313789947842207
Energy: 1.0272760850791276
Energy: 1.0285435389714084
Energy: 1.02439967470712
Energy: 1.0695657713197984
Energy: 1.030415981919907
Energy: 1.028709217120991
Energy: 1.0450579957821282
Energy: 1.0311119163309141
Energy: 1.03249980350802
Energy: 1.071944299679093
Energy: 1.0095218561478998
Energy: 1.0081378127543053
Energy: 0.9959330262991515
Energy: 1.031266329150589
Energy: 1.0076775586585323
Energy: 1.4912636293846875
Energy: 1.0268789400397718
Energy: 1.0277259168560218
Energy: 1.0576102368346627
Energy: 1.0547069537073337
Energy: 1.0484222358872544
Energy: 1.057893317156494
Energy: 0.9432581557812121
Energy: 1.0812556263679152
Energy: 1.058049917217545
Energy: 0.9418004115429655
Energy: 0.9943836021477485
Energy: 1.0586965468163556
Energy: 1.0139297793951436
Energy: 1.0142269427856767
Energy: 1.0594693623632738
Energy: 1.0132639370210506
Energy: 1.0573158401379974
Energy: 1.0578975323456417
Energy: 0.9947477193493305
Energy: 1.044516637827045
Energy: 1.0580200348237578
Energy: 0.9933454603293925
Energy: 1.0453142680122613
Energy: 1.505039165060189
Energy: 1.0452778952748858
Energy: 1.0716266608884846
Energy: 1.0587551885155475
Energy: 1.0568951519471863
Energy: 1.0847866794744618
Energy: 1.5921688391798148
Energy: 1.0454438118135994
Energy: 1.0309346840596134
Energy: 0.9428992374850892
Energy: 1.056120926852446
Energy: 0.9940200851561412
Energy: 1.592042095400297
Energy: 1.0585120633355076
Energy: 1.083565709673372
Energy: 1.0506339860328184
Energy: 1.0581352882897213
Energy: 1.0337792423023202
Energy: 1.4785684407255943
Energy: 1.0581746234892668
Energy: 1.0579884987005672
Energy: 1.030595185105096
Energy: 1.0582749540659384
Energy: 1.0493038084459716
Energy: 1.0791895508981417
Energy: 1.0873553278107841
Energy: 1.2180961008447824
Energy: 1.016861800440765
Energy: 1.18146497617215
Energy: 1.0474965219792847
Energy: 1.4786620332496834
Energy: 1.0578400540173707
Energy: 1.0481537232352447
Energy: 1.0347556470833537
Energy: 1.0577956841389895
Energy: 1.0485679891706936
Energy: 1.0287581701567015
Energy: 1.0337089263425956
Energy: 1.037151552668729
Energy: 1.0285423481788158
Energy: 1.0283813649592655
Energy: 1.0157420835492383
Energy: 1.029180712384369
Energy: 1.0017217927360762
Energy: 1.0226919749861894
Energy: 1.0302899549061948
Energy: 1.0498370655877114
Energy: 1.0463052428528108
Energy: 1.028792941140842
Energy: 1.011754692021045
Energy: 1.0125972864793846
Energy: 1.0289285740786966
Energy: 1.0292373326426094
Energy: 1.0215419791602192
Energy: 1.2351609537081056
Energy: 1.0140195161203056
Energy: 1.0131837968007853
Energy: 1.030140213351745
Energy: 1.0174008054455244
Energy: 1.034081693767014
Energy: 1.0706837859833185
Energy: 1.0246100045971536
Energy: 1.0066600156028795
Energy: 1.0285251399529067
Energy: 1.023906012717269
Energy: 1.0044316139868232
Energy: 1.071019975860054
Energy: 1.0178156960064582
Energy: 0.9975409876716013
Energy: 1.0166392097378247
Energy: 1.016482779504522
Energy: 0.9771464383913697
Energy: 1.070317772155362
Energy: 1.0188650910788277
Energy: 1.0061132462619833
Energy: 1.0195391341774152
Energy: 1.0182560938171368
Energy: 0.9795523756320419
Energy: 1.4964870995066557
Energy: 2.619619982096577
Energy: 1.0643600173260166
Energy: 1.0594837440249838
Energy: 1.028895315002339
Energy: 1.0046918974502816
Energy: 1.4971118250541877
Energy: 1.0297076496547353
Energy: 1.0137958947939707
Energy: 1.0558657988352937
Energy: 1.029099025618406
Energy: 0.9923278527212992
Energy: 1.0696597870308997
Energy: 1.0302040463275128
Energy: 1.0297280621753973
Energy: 1.0576615327032826
Energy: 1.0311091084245114
Energy: 1.0424338901133683
Energy: 1.4000423095519532
Energy: 1.0230020629330636
Energy: 1.0156877309168721
Energy: 0.9983763573443466
Energy: 1.0286432457393067
Energy: 1.0644989375714984
Energy: 1.3195498716471554
Energy: 1.0129874534601944
Energy: 1.0504208340151213
Energy: 1.057704505183922
Energy: 1.0309360849457467
Energy: 1.0475048672664766
Energy: 1.2298124230139986
Energy: 1.0286381172485248
Energy: 1.0293865490710592
Energy: 1.198464964028212
Energy: 0.9431553964234718
Energy: 0.9927293097554096
Energy: 1.058270522661926
Energy: 1.0135548110716703
Energy: 1.013201601008167
Energy: 1.0586429257362346
Energy: 1.0132612632876807
Energy: 1.0589180117717722
Energy: 1.0583320276725763
Energy: 1.0151496806257088
Energy: 1.0842816948784777
Energy: 1.058803145007804
Energy: 1.0567104670348757
Energy: 1.0849685245727052
Energy: 1.0804575549289666
Energy: 0.9948147571101429
Energy: 1.0478887138253374
Energy: 1.0458859136685055
Energy: 0.9936255206953319
Energy: 1.0440726225502583
Energy: 0.9898484552242526
Energy: 1.079221189917226
Energy: 1.0765666617302732
Energy: 1.050222799164672
Energy: 1.056985653194387
Energy: 1.0338966747958536
Energy: 1.5943883324104309
Energy: 1.0571785214319926
Energy: 1.0697482617244867
Energy: 0.9431845445254171
Energy: 1.0570236132111528
Energy: 0.993729672980904
Energy: 1.480597044311924
Energy: 1.0580832079580182
Energy: 1.0577901609599896
Energy: 1.0160083057679732
Energy: 1.0587965852948447
Energy: 1.014856266118519
Energy: 1.2774746687205265
Energy: 1.057876308350411
Energy: 1.0345133395133037
Energy: 1.022807850197612
Energy: 1.057697015260226
Energy: 1.0393125110501182
Energy: 1.5565909183765314
Energy: 1.034241722900301
Energy: 1.0451449155339194
Energy: 1.056003358752079
Energy: 1.0578265052159785
Energy: 1.0475509577477404
Energy: 1.0795528202059121
Energy: 1.0281471966566877
Energy: 1.0262055764452553
Energy: 1.0142677634373136
Energy: 1.0309428147241226
Energy: 1.0236295407040459
Energy: 1.0294081421942702
Energy: 1.027263362630766
Energy: 1.0231087101462355
Energy: 1.0308957392110547
Energy: 1.0454407820146456
Energy: 1.0254231539979735
Energy: 1.028971183685242
Energy: 1.0248792479933813
Energy: 1.021364856673974
Energy: 1.0291432816020443
Energy: 1.0207289983539412
Energy: 1.009487246412416
Energy: 1.0274374736001324
Energy: 1.013082962726517
Energy: 1.0133156504360312
Energy: 1.0277461905420253
Energy: 1.0162850594499142
Energy: 1.0309437218443829
Energy: 1.069458925705859
Energy: 1.0255419574609723
Energy: 1.02553948092219
Energy: 1.0290416487868865
Energy: 1.0200361067809187
Energy: 1.0059703676111436
Energy: 1.0681101449514543
Energy: 1.000692216531256
Energy: 1.003543042249557
Energy: 1.0172716565871691
Energy: 1.0197866537074542
Energy: 1.0212873000665725
Energy: 1.071094689255305
Energy: 1.0185584905214755
Energy: 1.022442019905513
Energy: 1.0095753060138262
Energy: 1.0173651180395633
Energy: 1.0034785833198439
Energy: 1.4959065277056667
Energy: 1.0302674858989727
Energy: 1.0215912328744101
Energy: 1.0559257497292325
Energy: 1.0286133886455013
Energy: 0.9919480538424617

minimum gb energy = 0.9418004115429655 eV
minimum distance =  2.31147435533823 Angstroms
sigma value = 57


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

Energy: 0.5242967209019439
Energy: 1.5915596341836027
Energy: 0.5257850193358892
Energy: 0.5267719281177624
Energy: 1.771169867428409
Energy: 0.5268544592070836
Energy: 0.6472570767390079
Energy: 0.5582879080163807
Energy: 0.5655119996963385
Energy: 0.5884300175684741
Energy: 0.5514235578916359
Energy: 0.5618374687627491
Energy: 0.6510238186829513
Energy: 0.5618851335907187
Energy: 0.5669698244435597
Energy: 0.5934737104811758
Energy: 0.5916926422740164
Energy: 0.5644311317976395
Energy: 0.6514177367434968
Energy: 0.5633653346587851
Energy: 0.5678340404636752
Energy: 0.5591004871611851
Energy: 0.5939195065571024
Energy: 0.564555105960461
Energy: 0.6460418361960713
Energy: 0.5538013768420277
Energy: 0.5278504075506423
Energy: 0.5660613313675376
Energy: 0.5275975241466925
Energy: 0.5634075059089575
Energy: 0.5875100531825178
Energy: 0.5300104761239461
Energy: 0.5334055691222663
Energy: 0.5539497456569503
Energy: 0.5262022870380828
Energy: 0.5572511169827279
Energy: 0.5815866920313745
Energy: 0.55942889852829
Energy: 0.5689259112621957
Energy: 0.5872507095674533
Energy: 0.5515766929286104
Energy: 0.5664477959070646
Energy: 0.5883904174062861
Energy: 0.5636421114030404
Energy: 0.5702128082521042
Energy: 0.5900667450344109
Energy: 0.5557858449357733
Energy: 0.5746951320387644
Energy: 0.6453181334495663
Energy: 0.5671444386444332
Energy: 0.5680597014075962
Energy: 0.5891187884623961
Energy: 0.5887656941850609
Energy: 0.5688240037735897
Energy: 0.5247692459097681
Energy: 1.757633396176009
Energy: 0.5268279112637424
Energy: 0.5254853324037908
Energy: 0.5912900972147415
Energy: 0.553739999701139
Energy: 0.5248502970668363
Energy: 0.5617574922735156
Energy: 0.563416501483549
Energy: 0.5258162341852245
Energy: 0.5533501230998145
Energy: 0.5272011936144895
Energy: 0.6479032803594242
Energy: 0.5652718581238171
Energy: 0.5615787962636508
Energy: 0.5522557010317626
Energy: 0.5904419435829843
Energy: 0.5618286733666071
Energy: 0.6515827696733812
Energy: 0.6123845045203843
Energy: 0.567332807536089
Energy: 0.5623722720841706
Energy: 0.6541871006280742
Energy: 0.5973108772244634
Energy: 0.6466363553145428
Energy: 0.5783358592886881
Energy: 0.5625880659613101
Energy: 0.5542992404580467
Energy: 0.5910835408231925
Energy: 0.5625318212222636
Energy: 0.5495705944366832
Energy: 0.5377763012369503
Energy: 0.5471659715871101
Energy: 0.550491080739774
Energy: 0.529845465739776
Energy: 0.5266719333064532
Energy: 0.5846327604107882
Energy: 0.5631835498846416
Energy: 0.5633575846222815
Energy: 0.5489235297172781
Energy: 0.5332785775420582
Energy: 0.5644445582757605
Energy: 0.5868971475758495
Energy: 0.5566776585972659
Energy: 0.5664261457130797
Energy: 0.5888611838345208
Energy: 0.5695348849896973
Energy: 0.5685129926503922
Energy: 0.6494931856522398
Energy: 0.5636651187047874
Energy: 0.5647057836409438
Energy: 0.5950049363382577
Energy: 0.5567609565119155
Energy: 0.5737258932432925
Energy: 0.524994549288064
Energy: 0.5599201416630472
Energy: 0.5676566788462297
Energy: 0.5261823465231352
Energy: 0.5527924154114996
Energy: 0.5641582121030266

minimum gb energy = 0.5242967209019439 eV
minimum distance =  2.35767232561749 Angstroms
sigma value = 11


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

Energy: 1.5826228899442767
Energy: 3.0028758990078694
Energy: 0.8927372088878632
Energy: 0.9222591070672601
Energy: 2.989148722212392
Energy: 0.892655859458058
Energy: 0.8768935291985878
Energy: 0.8751772019380336
Energy: 0.8777894085677186
Energy: 0.8794309849168166
Energy: 0.8743001743457549
Energy: 0.8834139094425357
Energy: 0.8755289263237797
Energy: 0.8780045701715954
Energy: 0.8792930559133019
Energy: 0.8748239730367574
Energy: 0.8778828959109803
Energy: 0.872782241843334
Energy: 0.8767706765743353
Energy: 0.8910317546281308
Energy: 0.8887387736131838
Energy: 0.8781709878495764
Energy: 0.8789738621208519
Energy: 0.8813175706546359
Energy: 0.8762178697083854
Energy: 0.9700616767849889
Energy: 0.9268285008586262
Energy: 0.8784940403237335
Energy: 0.8732121236992808
Energy: 0.8852330959428254
Energy: 1.175826119635121
Energy: 0.9355585525406368
Energy: 0.9309236348790846
Energy: 0.9184397543071368
Energy: 0.8875613560706368
Energy: 0.93049946435381
Energy: 1.1129365360262322
Energy: 0.8778004908380135
Energy: 0.8790725562280239
Energy: 0.8792627074986037
Energy: 0.8740343833245758
Energy: 0.8739596558246954
Energy: 0.8979797293895495
Energy: 0.9770743372337422
Energy: 0.9803978836451713
Energy: 0.886289099911188
Energy: 0.9742030148267519
Energy: 0.9746917690961798
Energy: 1.174059660907511
Energy: 0.9220667325198025
Energy: 0.9339526896996213
Energy: 0.8872962068696261
Energy: 0.8792194860207386
Energy: 0.9316888842906027
Energy: 1.4613848620276637
Energy: 0.9199991614203628
Energy: 0.9296958588933045
Energy: 0.8786038905409449
Energy: 0.9190391781976907
Energy: 0.9300618988474946
Energy: 1.5558359800703077
Energy: 0.9177759631539508
Energy: 0.9207870935893504
Energy: 0.8875201392026235
Energy: 0.9168246274843289
Energy: 0.9747003491726832
Energy: 1.2969079832697856
Energy: 0.8626497778758385
Energy: 0.8728589689973032
Energy: 0.9838648497929384
Energy: 0.8541541845107959
Energy: 0.8818144381629168
Energy: 1.1084068351164484
Energy: 0.8633311824860596
Energy: 0.8717558250181913
Energy: 0.9847297160394705
Energy: 0.8549095590685305
Energy: 0.8867611301785818
Energy: 1.1075556976411418
Energy: 0.9714120349108336
Energy: 0.9711049886799833
Energy: 0.9179942232004827
Energy: 0.9743070566012595
Energy: 0.970471720023928
Energy: 1.1041658102935226
Energy: 1.0157090288122923
Energy: 1.0146785582365554
Energy: 0.9176667683336475
Energy: 0.9938616842415827
Energy: 0.9371037466835501
Energy: 1.5026584968789014
Energy: 0.9735044078014516
Energy: 0.9714549941184005
Energy: 0.918093312094887
Energy: 0.9729437855911403
Energy: 0.9718237410372451
Energy: 1.335067282443021
Energy: 0.9341470147941978
Energy: 0.8889356616306061
Energy: 1.1796583772792053
Energy: 0.9302099569641933
Energy: 0.89124899558643
Energy: 1.543403446186781
Energy: 0.9193927300358506
Energy: 0.9738739961921844
Energy: 0.9727054894905417
Energy: 0.9177664742623921
Energy: 0.9726014003649488
Energy: 1.4606789161786013
Energy: 0.877227566538339
Energy: 0.9350123702111
Energy: 0.8756657843884575
Energy: 0.8866317698628029
Energy: 0.9319620958052731
Energy: 1.1188729031230473
Energy: 0.9896219282547579
Energy: 0.9938033913544395
Energy: 1.0365075338149874
Energy: 1.0163593021546085
Energy: 0.8721635649527688
Energy: 1.4997867789164148
Energy: 0.9760082925102602
Energy: 0.9260886127273464
Energy: 0.9348061205196455
Energy: 0.9763193041361081
Energy: 0.9210890701735248
Energy: 1.419063275846761
Energy: 0.9129067825552345
Energy: 0.9028499407946894
Energy: 0.9511878810453287
Energy: 1.1967572017233779
Energy: 0.9756616362957018
Energy: 0.9707670023165837
Energy: 0.929594911934486
Energy: 0.9264647892829441
Energy: 0.9256739383106143
Energy: 0.9196370391438425
Energy: 0.9239564312948971
Energy: 0.9715620316052859
Energy: 0.8774840722165866
Energy: 0.8730936478847823
Energy: 0.9732060242415306
Energy: 0.8746061763514327
Energy: 0.8777850595047048
Energy: 0.9992964211297631
Energy: 0.8754843250086326
Energy: 0.886023880809419
Energy: 0.9938825458980829
Energy: 0.874262511857018
Energy: 0.8793672088929987
Energy: 1.5590179684808716
Energy: 0.8777994416813641
Energy: 0.8814958981465584
Energy: 0.8816459912844554
Energy: 0.8754463895541574
Energy: 0.9267799165308698

minimum gb energy = 0.8541541845107959 eV
minimum distance =  2.28736127403925 Angstroms
sigma value = 41


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

Energy: 1.7183926549809359
Energy: 2.7670186991249626
Energy: 0.9631896722150082
Energy: 1.3631200302489126
Energy: 2.788038111873327
Energy: 1.3628262477480122
Energy: 0.9551400186705986
Energy: 0.9518105590794099
Energy: 0.9521663816579579
Energy: 0.9505005091480379
Energy: 0.94672219613821
Energy: 0.9463199294530148
Energy: 0.9558682162247694
Energy: 0.9474552954992536
Energy: 0.9459699603786953
Energy: 0.9525897626264135
Energy: 0.9485638452975705
Energy: 0.9458389246016301
Energy: 0.9566611291723992
Energy: 0.9464459330607723
Energy: 0.9459767975321483
Energy: 0.9535923981457515
Energy: 0.9467809160015611
Energy: 0.9482530747070321
Energy: 0.9567362633185597
Energy: 0.9461539559420012
Energy: 0.9479925220084117
Energy: 0.9542991180972263
Energy: 0.9507883225955042
Energy: 0.9532818517413169
Energy: 1.3561176220982663
Energy: 0.9476054002754368
Energy: 0.9463333510728301
Energy: 0.9548930019078943
Energy: 0.9526506972816051
Energy: 0.9510943093669991
Energy: 1.3399076037388553
Energy: 0.9514395241254896
Energy: 0.9478267922175687
Energy: 0.9574764753665488
Energy: 0.9500903179795376
Energy: 0.9470894078065951
Energy: 0.9920701544485975
Energy: 1.1148120113784707
Energy: 0.9997977805748046
Energy: 0.9155702773193645
Energy: 1.1138422476337908
Energy: 0.9276373086793203
Energy: 1.3545595135977837
Energy: 0.9495442880276137
Energy: 0.9465262735678752
Energy: 0.9526054877499798
Energy: 0.9516520842868805
Energy: 0.9467369715002928
Energy: 1.3393770731685923
Energy: 0.9509478584191683
Energy: 0.9447650994198791
Energy: 0.9539754750008917
Energy: 0.9509826502411621
Energy: 0.9485089682936405
Energy: 1.3425248902967621
Energy: 0.9503103478238395
Energy: 0.9447185624439871
Energy: 0.9602636758536499
Energy: 0.9498852426173813
Energy: 0.9520490680788289
Energy: 1.5534315877880422
Energy: 0.9157492613804243
Energy: 0.9165618082491245
Energy: 0.9508627548333751
Energy: 0.9230973277338524
Energy: 0.949943707432148
Energy: 1.0751753921016793
Energy: 0.9160418639422278
Energy: 0.9162830622826015
Energy: 0.9512199334391173
Energy: 0.9151613678556495
Energy: 0.9167426059695178
Energy: 1.0709227995501194
Energy: 0.9459171086587348
Energy: 0.946592161011947
Energy: 0.9508661286763536
Energy: 0.9466569708930466
Energy: 0.9465561130049098
Energy: 1.1145072034442982
Energy: 0.9781613704472363
Energy: 1.1144632370540717
Energy: 1.1148187333753274
Energy: 1.1447111635304854
Energy: 1.115495224347056
Energy: 0.9549201595846041
Energy: 0.9467937280949342
Energy: 0.9463142186296815
Energy: 0.9504986561614923
Energy: 0.959232678058298
Energy: 0.9472486342463363
Energy: 1.683189857807613
Energy: 2.711061306581358
Energy: 0.9148407738642085
Energy: 1.3661166091162313
Energy: 0.951775282054301
Energy: 1.2161916742341716
Energy: 0.9957537106555298
Energy: 0.9516529617586104
Energy: 0.9531600756038352
Energy: 0.9167676757123019
Energy: 0.950878190330132
Energy: 0.9152081473759299
Energy: 0.9557153872572256
Energy: 0.9498059862882477
Energy: 0.9503102291151763
Energy: 0.9504619883340196
Energy: 0.9515847165977716
Energy: 0.9467336143189471
Energy: 0.9559049318926544
Energy: 0.9465579487440043
Energy: 0.9455557938898136
Energy: 0.9508455291046941
Energy: 0.9503036993761995
Energy: 0.9461783892536422
Energy: 0.955546939361626
Energy: 0.9472147233979822
Energy: 0.9468234763284116
Energy: 0.9574796657372326
Energy: 0.9504786184012562
Energy: 0.9464755413257969
Energy: 1.508166723250998
Energy: 1.1522747417923243
Energy: 1.1520781301983758
Energy: 1.197309574285825
Energy: 1.1517427662049924
Energy: 1.1509499740954647
Energy: 1.3549256006608505
Energy: 0.9487789134345407
Energy: 0.9471572036272391
Energy: 0.9547565035175752
Energy: 0.9513791157514778
Energy: 0.946553214801253
Energy: 0.9918198586895902
Energy: 0.977195141426053
Energy: 0.978137455616783
Energy: 0.9160009504217733
Energy: 1.1452942696650594
Energy: 0.9197767838502962
Energy: 1.3398415196897897
Energy: 0.9508242191848874
Energy: 0.9535154294045465
Energy: 0.9526035342757878
Energy: 0.9509514778273941
Energy: 0.9469227634651424
Energy: 1.3399147881428897
Energy: 0.9500537460719046
Energy: 0.9501121049606802
Energy: 0.9535509374228902
Energy: 0.9500622262186632
Energy: 0.9446190553310497
Energy: 1.3392480068920414
Energy: 0.9505084164705926
Energy: 0.945990591007477
Energy: 0.9544825436291762
Energy: 0.9512683083836015
Energy: 0.9482165863124918
Energy: 1.3549414089053087
Energy: 0.9686212286151737
Energy: 0.9468647984082557
Energy: 0.9495059449830926
Energy: 0.9476257653136684
Energy: 0.94701328509614
Energy: 1.074733758792255
Energy: 1.025232248388808
Energy: 1.0255367479344266
Energy: 0.9522679760746798
Energy: 0.915838492563327
Energy: 0.9153212394465565
Energy: 1.0711368105330732
Energy: 0.9526603299128701
Energy: 0.948075502560724
Energy: 0.9486458932730002
Energy: 0.9524244271246084
Energy: 0.9484144040344715
Energy: 1.0754424127391817
Energy: 0.9456413891491328
Energy: 0.9469296889549903
Energy: 0.9752107235725042
Energy: 0.9497700846863458
Energy: 0.9497489513964903
Energy: 0.9550601454860502
Energy: 0.9478143671283784
Energy: 0.9509337142426828
Energy: 0.951241707799115
Energy: 0.9499864862372891
Energy: 0.950145068864044
Energy: 1.6859070790268356
Energy: 0.9525195119917939
Energy: 0.9150516734837449
Energy: 0.9223565005447065
Energy: 0.9518644130714347
Energy: 0.9172512439839539

minimum gb energy = 0.9148407738642085 eV
minimum distance =  2.31445370609811 Angstroms
sigma value = 33


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

Energy: 1.285812094460339
Energy: 2.8098223852058295
Energy: 1.0599486441881816
Energy: 1.0067049622465507
Energy: 2.4889893860350347
Energy: 1.058519777277993
Energy: 1.042419821908283
Energy: 1.0144604267815225
Energy: 1.0151821494954314
Energy: 0.991578704359339
Energy: 1.0168809353499402
Energy: 1.0154452959497446
Energy: 1.044001806546983
Energy: 1.0168889403263568
Energy: 1.0171578776695323
Energy: 1.0164945565388104
Energy: 1.0137802449736617
Energy: 1.0155389992575745
Energy: 1.0490108051236144
Energy: 1.0171193119440056
Energy: 1.0163802772031731
Energy: 1.0291193667787943
Energy: 1.0185894299025282
Energy: 1.0165685537868
Energy: 1.0450422164372428
Energy: 1.0164171383371414
Energy: 0.9903535240439828
Energy: 1.0440829865904135
Energy: 1.029253651848392
Energy: 0.9901793259443732
Energy: 1.0945660958836387
Energy: 0.990314835056238
Energy: 0.9924237992978094
Energy: 1.047002016362085
Energy: 1.0173493517277696
Energy: 0.9920499644698771
Energy: 1.5316454219593323
Energy: 0.9934038715064183
Energy: 1.0179472024985181
Energy: 1.0298207568784992
Energy: 0.9923189055565699
Energy: 1.032781491417028
Energy: 1.090371364726191
Energy: 1.0277364961814612
Energy: 1.0047804039793153
Energy: 0.987033717238626
Energy: 1.0270631723593338
Energy: 1.005648579688128
Energy: 1.0948474979744578
Energy: 0.9902869154887599
Energy: 0.9888687631218644
Energy: 1.049613099071198
Energy: 0.9914197942806212
Energy: 0.9885333372176679
Energy: 1.5329477122691595
Energy: 0.9901700472650709
Energy: 0.9895041071072846
Energy: 1.014969320600768
Energy: 0.992959684177827
Energy: 0.990193637882701
Energy: 1.5321220330861938
Energy: 0.9921005032651438
Energy: 1.0162119118827495
Energy: 1.028293841889657
Energy: 0.9923379257667737
Energy: 1.0145882653966052
Energy: 1.0950781820017281
Energy: 0.9985167307237414
Energy: 0.9860813649142932
Energy: 1.018615200077915
Energy: 0.9926715397774649
Energy: 0.9876971633138142
Energy: 1.0448947504204338
Energy: 0.9855234343657654
Energy: 0.9859223499847661
Energy: 1.019095768993047
Energy: 0.9948330200538844
Energy: 0.9866486300376988
Energy: 1.0428429964810533
Energy: 1.015680884150645
Energy: 1.013924629542336
Energy: 1.029290678843161
Energy: 1.0285381096327542
Energy: 1.0142399498645425
Energy: 1.0032919362600088
Energy: 1.013786689929979
Energy: 1.014126196646376
Energy: 1.0140412051958239
Energy: 1.013743321433875
Energy: 1.0145940668552464
Energy: 1.0441599568721673
Energy: 1.0143233053773146
Energy: 1.013462260845287
Energy: 1.0280826543335388
Energy: 1.0276420099850754
Energy: 1.0138157739829592
Energy: 1.5290058801002457
Energy: 1.0215111598557027
Energy: 0.9951875017447013
Energy: 0.9920266153124113
Energy: 1.0338930361488043
Energy: 0.9931215449795641
Energy: 1.534285580510113
Energy: 0.9910766218263297
Energy: 0.9905348027205398
Energy: 1.0436945981476826
Energy: 1.0297192123650487
Energy: 0.9914363443767226
Energy: 1.0450386682023978
Energy: 0.989083183985186
Energy: 0.9871131966432101
Energy: 0.9972599000067612
Energy: 0.9895805749734693
Energy: 1.0161060520004228
Energy: 0.9958498585708938
Energy: 0.9901513657573986
Energy: 0.9858176135647114
Energy: 0.9939467418664799
Energy: 0.9895539041107163
Energy: 1.0162575117559833
Energy: 0.98996550142521
Energy: 1.01494068697466
Energy: 1.0286723964292834
Energy: 0.9915508257035973
Energy: 1.0153331690316874
Energy: 0.9880557355219587
Energy: 1.028795183474865
Energy: 0.9903547177127552
Energy: 0.992753499700342
Energy: 1.0296180488239064
Energy: 0.9900362634442376
Energy: 0.9931275614559627
Energy: 1.481306827464353
Energy: 1.0152358605181548
Energy: 1.0163708763447652
Energy: 0.9903160709286949
Energy: 1.0148441589953845
Energy: 1.0279634331369454
Energy: 1.0953285460681974
Energy: 2.7027676391215416
Energy: 0.9879471363096026
Energy: 0.9859099155407904
Energy: 2.2376246333026226
Energy: 0.9875148839820335
Energy: 1.9673563574383917
Energy: 1.0294032172017047
Energy: 1.014328110119435
Energy: 0.99128720542604
Energy: 1.0177116815093046
Energy: 1.0332470555041426
Energy: 1.0502860713573046
Energy: 1.0167950421242398
Energy: 1.0172849223469
Energy: 1.017350940195079
Energy: 1.0154578311028821
Energy: 1.018857131453347
Energy: 1.0437466516980274
Energy: 1.016117048737744
Energy: 1.0167784194970793
Energy: 1.0162161373370262
Energy: 1.0165563535724185
Energy: 1.015846913801245
Energy: 1.0458647607545046
Energy: 0.9914624013333289
Energy: 0.9911862253101283
Energy: 1.043249896022401
Energy: 1.0190233138245064
Energy: 1.0164350740968189
Energy: 1.4289677734691866
Energy: 0.991735597330197
Energy: 0.9969195423537744
Energy: 0.9913583317410873
Energy: 0.9907170123381306
Energy: 0.9985169087779483
Energy: 1.0938148432083912
Energy: 1.0232496887816693
Energy: 0.9927644480558462
Energy: 1.032050702938998
Energy: 1.0230989912428494
Energy: 1.0177882180076436
Energy: 1.0902613339016924
Energy: 0.997111811428745
Energy: 1.0052266572499517
Energy: 0.986893388380687
Energy: 1.0287724087901786
Energy: 1.003010365631462
Energy: 1.09677188747638
Energy: 0.9906927559252257
Energy: 0.9885053600858
Energy: 1.0159933675389619
Energy: 0.9924593405653839
Energy: 0.9884877079725868
Energy: 1.5327197241174495
Energy: 0.9914339388996782
Energy: 0.9920738747210894
Energy: 1.014834930903277
Energy: 0.9910825140982011
Energy: 1.016759778213
Energy: 1.5326570029063542
Energy: 0.9895565834856347
Energy: 1.0169573743677665
Energy: 1.017513896525812
Energy: 0.9926391869920856
Energy: 1.0162398753146082
Energy: 1.0932066218588543
Energy: 0.9864147085513043
Energy: 0.986254690908517
Energy: 1.018024705195774
Energy: 0.9925427740737013
Energy: 0.9880581689183426
Energy: 1.0459597719711684
Energy: 0.9858688882712368
Energy: 0.9859619389405557
Energy: 1.034928001129352
Energy: 0.986191480159523
Energy: 0.9879252387001789
Energy: 1.041947073228753
Energy: 1.0265996952802592
Energy: 1.028604980654941
Energy: 1.0297413657357204
Energy: 1.0281951464808732
Energy: 1.0133983588584632
Energy: 1.0211772862518849
Energy: 1.0132685566451156
Energy: 1.0142637401986356
Energy: 1.0234770888404754
Energy: 1.0131063191207637
Energy: 1.0155367890819276
Energy: 1.0428467866432298
Energy: 1.027936254643777
Energy: 1.0137241906173569
Energy: 1.0165236579879744
Energy: 1.0282599003746848
Energy: 1.0146634494781976
Energy: 1.5287562591697144
Energy: 1.0189887377270466
Energy: 0.9904690211036697
Energy: 1.018914760709567
Energy: 1.0341266742665354
Energy: 0.9915767226273217
Energy: 1.5384332492387205
Energy: 0.9901954006334014
Energy: 0.9900112144073329
Energy: 1.0170704543326465
Energy: 1.0338700010018864
Energy: 0.9910846702443561
Energy: 1.0439545228189488
Energy: 0.989971887388912
Energy: 0.9864333307472531
Energy: 0.9929575857632301
Energy: 0.9892763448442591
Energy: 1.0147546872680964
Energy: 0.9928262271205718
Energy: 0.9885949514350937
Energy: 0.9866497471576867
Energy: 0.9934385424389292
Energy: 0.9879290218080059
Energy: 0.9869785983818828
Energy: 0.9901262133194624
Energy: 0.9900443709970485
Energy: 0.9884602213414725
Energy: 0.992212356238201
Energy: 0.9884987528333925
Energy: 0.9887506806392682
Energy: 1.025710538794501
Energy: 0.9925981939317132
Energy: 0.9967487375567506
Energy: 1.026429322339073
Energy: 0.9978258554030217
Energy: 1.0268590342918724
Energy: 1.0428481739460227
Energy: 1.0146244416250423
Energy: 1.0178068139453806
Energy: 0.9921860026185961
Energy: 1.0272393310248946
Energy: 1.0163160481045688
Energy: 1.9666811481331554
Energy: 2.5857147871767405
Energy: 0.9882910395707941
Energy: 0.9990410452669298
Energy: 1.0170265652021635
Energy: 0.9859544515094517

minimum gb energy = 0.9855234343657654 eV
minimum distance =  2.3243627749786 Angstroms
sigma value = 67


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

Energy: 1.5138628470875408
Energy: 1.9406802457776637
Energy: 1.0797272697310283
Energy: 1.0904999875420782
Energy: 1.900901557140176
Energy: 1.0799581983308213
Energy: 1.1273852742442247
Energy: 1.084766096242944
Energy: 1.0849851525604086
Energy: 1.0836925258239565
Energy: 1.085661621969934
Energy: 1.0845774468583802
Energy: 1.131323317848346
Energy: 1.047022390471772
Energy: 1.0861479359983837
Energy: 1.0849630203903367
Energy: 1.0460197901008346
Energy: 1.0862719197116202
Energy: 1.1305475805915683
Energy: 1.0828178190194675
Energy: 1.0824532467962655
Energy: 1.0844496534817423
Energy: 1.0832286415367163
Energy: 1.0821007923808936
Energy: 1.1231179359359225
Energy: 1.0855513162076242
Energy: 1.0859335002173591
Energy: 1.1246058126321936
Energy: 1.0856493907167584
Energy: 1.0861812244278324
Energy: 1.1263994438096268
Energy: 1.0902412634266918
Energy: 1.0886735684183524
Energy: 1.1280420228444261
Energy: 1.0901534829894235
Energy: 1.0894347343248183
Energy: 1.197913348212321
Energy: 1.085127270347061
Energy: 1.087841816570689
Energy: 1.0460149723784766
Energy: 1.0856962940052977
Energy: 1.086126410819068

minimum gb energy = 1.0460149723784766 eV
minimum distance =  2.34641787475054 Angstroms
sigma value = 3


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

Energy: 1.9824330658026879
Energy: 2.648750281583047
Energy: 1.2448883201860945
Energy: 1.2883331936306128
Energy: 2.5415682503474764
Energy: 1.276947659806071
Energy: 1.3006109898613036
Energy: 1.2341466769490388
Energy: 1.230422436160582
Energy: 1.2254479394470612
Energy: 1.263004059033355
Energy: 1.2298255975276617
Energy: 1.2980599702989428
Energy: 1.2413230839923435
Energy: 1.2321963356141785
Energy: 1.2282677103807373
Energy: 1.2424280350814014
Energy: 1.2354501748831652
Energy: 1.2999438875760416
Energy: 1.228591984448408
Energy: 1.2929976279902236
Energy: 1.3002301465810389
Energy: 1.2325945123752253
Energy: 1.2272679734424672
Energy: 1.270868896728678
Energy: 1.2668359557491518
Energy: 1.273100537988913
Energy: 1.2729500514834173
Energy: 1.265285967719002
Energy: 1.278922388550617
Energy: 1.2629766591589586
Energy: 1.2671108337454364
Energy: 1.2675069183288636
Energy: 1.2746286269504272
Energy: 1.265101083884633
Energy: 1.2752491713242735
Energy: 1.2872391472202749
Energy: 1.2675522179532546
Energy: 1.2657355434991895
Energy: 1.264364382946638
Energy: 1.266572067108827
Energy: 1.273927710390496
Energy: 1.426652936894432
Energy: 1.3680822363296385
Energy: 1.2931556304227356
Energy: 1.26022512587156
Energy: 1.3152942129084528
Energy: 1.2634519632150876
Energy: 1.348762429542213
Energy: 1.2923615925184786
Energy: 1.294203661155001
Energy: 1.2721217291406646
Energy: 1.295551584690836
Energy: 1.2964335542226695
Energy: 1.4445267498142251
Energy: 1.2721980410439766
Energy: 1.27229233110003
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Energy: 1.2722433787854874
Energy: 1.22654934545581
Energy: 1.3412671470622755
Energy: 1.2531732335882677
Energy: 1.2494144967441996
Energy: 1.3298210596350288
Energy: 1.2792657477689575
Energy: 1.2705489252037538
Energy: 1.3407852377296599
Energy: 1.2756971727918196
Energy: 1.2788636827108368
Energy: 1.2690707140297357
Energy: 1.2741847323428928
Energy: 1.2702099085564929
Energy: 1.2708983111061842
Energy: 1.2851509513623178
Energy: 1.270338056941825
Energy: 1.2212036360081313
Energy: 1.2745176010005845
Energy: 1.2687738203432204
Energy: 1.4165444578297328
Energy: 1.3092858455835923
Energy: 1.2915418870103599
Energy: 1.2878990583186753
Energy: 1.2990860925488725
Energy: 1.290463413997186
Energy: 1.323643691137528
Energy: 1.304506333303629
Energy: 1.3441859147833584
Energy: 1.2364897628489548
Energy: 1.306669898471844
Energy: 1.3030827354806573
Energy: 1.4417629759224415
Energy: 1.2987111607534707
Energy: 1.2924039698032597
Energy: 1.2957283051491815
Energy: 1.2974616193745871
Energy: 1.2921228105079081
Energy: 1.439667791568249
Energy: 1.2617023326515007
Energy: 1.261689496361797
Energy: 1.4397428829592949
Energy: 1.2574892938637396
Energy: 1.2381198112170366
Energy: 1.44759816613459
Energy: 1.2832578759169861
Energy: 1.3251217171847185
Energy: 1.3270471527415648
Energy: 1.2856650942568266
Energy: 1.3369710013676994
Energy: 1.5031278851580938
Energy: 1.2990926245225576
Energy: 1.2833029556880502
Energy: 1.27912425845808
Energy: 1.2953301943029842
Energy: 1.2731477081173963
Energy: 1.3650586110440772
Energy: 1.3297212736115531
Energy: 1.2883305889562304
Energy: 1.2711012661172307
Energy: 1.314633677032368
Energy: 1.2723302378914623
Energy: 1.2878264230538334
Energy: 1.262816703171527
Energy: 1.2597150579042726
Energy: 1.2574174827860265
Energy: 1.2681908674508169
Energy: 1.2582030540392575
Energy: 1.2733612289135607
Energy: 1.251754586403878
Energy: 1.2519385701455852
Energy: 1.2550110880494707
Energy: 1.256923076953329
Energy: 1.2479955443530133
Energy: 1.274807657053969
Energy: 1.2526720404014946
Energy: 1.2528898083823776
Energy: 1.2761773458029277
Energy: 1.2494327808552343
Energy: 1.251947491188418
Energy: 1.3127939854752189
Energy: 1.2594041320795366
Energy: 1.24904029640241
Energy: 1.312843945466851
Energy: 1.2499458490155977
Energy: 1.2997410656087054
Energy: 1.3167995717376366
Energy: 1.3073929474011619
Energy: 1.306513695679295
Energy: 1.3117692797891785
Energy: 1.3063719060716992
Energy: 1.3061069988026368
Energy: 1.471905254286408
Energy: 1.3454390621793069
Energy: 1.2247779286618923
Energy: 1.2226313864057852
Energy: 1.3462491709770907
Energy: 1.1984076937569041
Energy: 1.652636040665113
Energy: 1.344444208165607
Energy: 1.2238887464206145
Energy: 1.217513038732783
Energy: 1.344830627106626
Energy: 1.1962239481154675
Energy: 1.3189829658044405
Energy: 1.3069050051274078
Energy: 1.3058711927083784
Energy: 1.3165316379711578
Energy: 1.3086097303209772
Energy: 1.3056201813339878
Energy: 1.304893768283721
Energy: 1.2332851358535295
Energy: 1.2326096748938165
Energy: 1.3034871835983706
Energy: 1.2340802503374826
Energy: 1.301697333177088
Energy: 1.2664926736383337
Energy: 1.2630473843948553
Energy: 1.2651630487789902
Energy: 1.2676379918482992
Energy: 1.2642121276776797
Energy: 1.2689656014361144
Energy: 1.265573945520583
Energy: 1.2635551504452345
Energy: 1.262563930127744
Energy: 1.26654720285639
Energy: 1.300399117007786
Energy: 1.2601658615517495
Energy: 1.2716892074098416
Energy: 1.2674282640521624
Energy: 1.2684806767841854
Energy: 1.2631515757719132
Energy: 1.26693846686346
Energy: 1.2717649222782514
Energy: 1.4231914549161249
Energy: 1.3199218118785017
Energy: 1.2984513655106404
Energy: 1.24861488889937
Energy: 1.272037219541939
Energy: 1.2586329281786564
Energy: 1.616907160549322
Energy: 1.2946462904101883
Energy: 1.2919934909425783
Energy: 1.2686435301985464
Energy: 1.3021101237302746
Energy: 1.2930354191952467
Energy: 1.3534220741025251
Energy: 1.2452475467665245
Energy: 1.2445077819287707
Energy: 1.284166606665843
Energy: 1.278570043107927
Energy: 1.3114792761127934
Energy: 1.3415877101756795
Energy: 1.2718698821959513
Energy: 1.2719328720407777
Energy: 1.3417628766586374
Energy: 1.271991575879899
Energy: 1.2249781302925256
Energy: 1.3536867919854298
Energy: 1.2672901075624854
Energy: 1.2689839837570125
Energy: 1.2671172630449032
Energy: 1.2706135054995815
Energy: 1.2725326891750355
Energy: 1.2717456484280414
Energy: 1.2745205968842175
Energy: 1.2705967362910113
Energy: 1.2261717990527072
Energy: 1.2756907039958558
Energy: 1.2691213939625516
Energy: 1.3393426538099593
Energy: 1.2683132480664832
Energy: 1.26415254909744
Energy: 1.263179551394493
Energy: 1.2624802454433388
Energy: 1.2763128497329537
Energy: 1.3220772309411974
Energy: 1.3066624620017737
Energy: 1.2858376695613716
Energy: 1.2349147630508936
Energy: 1.3175287310708486
Energy: 1.286230639671253
Energy: 1.4405583192179527
Energy: 1.3000765767292584
Energy: 1.2905153141824914
Energy: 1.29739857383388
Energy: 1.3110215908027305
Energy: 1.2886769471325976
Energy: 1.4473882814589334
Energy: 1.2457407083209247
Energy: 1.2799324295121008
Energy: 1.303476757566399
Energy: 1.2617722264322075
Energy: 1.3084697751294339
Energy: 1.4678564444189968
Energy: 1.2595153541261495
Energy: 1.2591651343622643
Energy: 1.3664402061223675
Energy: 1.2570461138239462
Energy: 1.2723100551449338
Energy: 1.5594126473185306
Energy: 1.2941122807412573
Energy: 1.288802579105326
Energy: 1.3002828851574906
Energy: 1.293303294489319
Energy: 1.2893346865684683
Energy: 1.737120167113372
Energy: 1.313108543297881
Energy: 1.3275259618965802
Energy: 1.2755890097620017
Energy: 1.3145358072375215
Energy: 1.328195638420286
Energy: 1.295490398669905
Energy: 1.262710790214173
Energy: 1.2597929171152855
Energy: 1.2542719210895867
Energy: 1.2719856530650915
Energy: 1.256885627075157
Energy: 1.2705142740070223
Energy: 1.2572376784066994
Energy: 1.2550407540963384
Energy: 1.2589857060347198
Energy: 1.2561955400425877
Energy: 1.2576300841366947
Energy: 1.2811687823436233
Energy: 1.259194534047104
Energy: 1.2623486816519565
Energy: 1.266692859784165
Energy: 1.260776080944369
Energy: 1.2571384832892671
Energy: 1.3053827152747708
Energy: 1.2493427860187227
Energy: 1.2211721812840561
Energy: 1.2933113270916075
Energy: 1.2507812520585524
Energy: 1.226597061533631
Energy: 1.2973531824545776
Energy: 1.2511793328441674
Energy: 1.2458693308182176
Energy: 1.3365751219172952
Energy: 1.250615635688306
Energy: 1.23632068368414
Energy: 1.4488367792631636
Energy: 1.225855111373254
Energy: 1.233475524103091
Energy: 1.2220717228309155
Energy: 1.3574542708524093
Energy: 1.2569216484500392

minimum gb energy = 1.1962239481154675 eV
minimum distance =  2.28570224616382 Angstroms
sigma value = 81


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

Energy: 2.132907082121916
Energy: 2.177473429780856
Energy: 1.2498435214022907
Energy: 1.2503402283198168
Energy: 2.112521387083189
Energy: 1.250165701969181
Energy: 1.223142956110874
Energy: 1.1859055326972823
Energy: 1.1809851739536628
Energy: 1.2170012887871144
Energy: 1.1783601522236216
Energy: 1.2169635009492439
Energy: 1.2949795452169552
Energy: 1.1629785798726981
Energy: 1.1625704339160836
Energy: 1.2662887354457795
Energy: 1.164635077342207
Energy: 1.2229720144595395
Energy: 1.236104787943197
Energy: 1.1630062248483297
Energy: 1.220744280773003
Energy: 1.2360478508871549
Energy: 1.1619891400715872
Energy: 1.2215021374702366
Energy: 1.2439256066729323
Energy: 1.2458386283557157
Energy: 1.245718868319364
Energy: 1.2489822245084152
Energy: 1.245859973435173
Energy: 1.246618108602598
Energy: 1.2440281714308343
Energy: 1.246792803917165
Energy: 1.2473473732164733
Energy: 1.1997953263120273
Energy: 1.2660219428765114
Energy: 1.2469054420548618
Energy: 1.3139614651990954
Energy: 1.24729180422564
Energy: 1.2472897288617504
Energy: 1.1678602870416361
Energy: 1.2480645994419042
Energy: 1.2480058099675093
Energy: 1.3337965371406761
Energy: 1.2925207844736462
Energy: 1.2913425073171956
Energy: 1.213581774935782
Energy: 1.328933205829229
Energy: 1.2161370926188506
Energy: 1.2283475958873917
Energy: 1.2521971911561502
Energy: 1.2535657780985432
Energy: 1.2258089836087283
Energy: 1.2541917081303169
Energy: 1.2520267529550457
Energy: 1.3076981025157008
Energy: 1.229308379777348
Energy: 1.2297347321920702
Energy: 1.2922844889555711
Energy: 1.229360600827339
Energy: 1.2284546697939154
Energy: 1.2303244384260694
Energy: 1.1850229673832415
Energy: 1.180517019543909
Energy: 1.2340151653799822
Energy: 1.2312741574231274
Energy: 1.2262524578681477
Energy: 1.1881731319029545
Energy: 1.1896293048411966
Energy: 1.1882518659854622
Energy: 1.1746136538935308
Energy: 1.1934612424807118
Energy: 1.1883289581221257
Energy: 1.1881175246980413
Energy: 1.2417989556876514
Energy: 1.1910894829865566
Energy: 1.164993460471038
Energy: 1.2528686347554066
Energy: 1.1635113683495506
Energy: 1.2174984874465746
Energy: 1.251355275667822
Energy: 1.2507450289707214
Energy: 1.2006934692017377
Energy: 1.2505267545413636
Energy: 1.2491126082723167
Energy: 1.3520592263367344
Energy: 1.2007703283675524
Energy: 1.2516884418465921
Energy: 1.2522050179265292
Energy: 1.2530777098363806
Energy: 1.2524453366288815
Energy: 1.350538402194067
Energy: 1.2539207965413903
Energy: 1.2549421902924784
Energy: 1.2504520561955668
Energy: 1.2543174972772724
Energy: 1.2519548600008428
Energy: 1.3869295539379987
Energy: 1.2180211762898296
Energy: 1.2170519860085558
Energy: 1.3883002187462044
Energy: 1.2183373234680386
Energy: 1.2117100748738587
Energy: 1.3615872612040747
Energy: 1.2039444870301705
Energy: 1.2537948456443424
Energy: 1.260312223460241
Energy: 1.1735033953440899
Energy: 1.2556663114660047
Energy: 1.3926208535106235
Energy: 1.2308700863670758
Energy: 1.2281204740472214
Energy: 1.224477975951821
Energy: 1.234429002211223
Energy: 1.1810473199775129
Energy: 1.3931238191769935
Energy: 1.2305799086554667
Energy: 1.227314373392821
Energy: 1.226822465748152
Energy: 1.2298506179790616
Energy: 1.2279360181662147
Energy: 1.1818894657764047
Energy: 1.2144459421945757
Energy: 1.1914782798070984
Energy: 1.1919556650980014
Energy: 1.1707993412548152
Energy: 1.1921704306577843
Energy: 1.2454507533489136
Energy: 1.1656756057837598
Energy: 1.1656920456488717
Energy: 1.255701697180096
Energy: 1.1635173975932294
Energy: 1.1786050188849118
Energy: 1.2100578849150518
Energy: 1.1959636435973857
Energy: 1.1951889276866063
Energy: 1.2048865029382223
Energy: 1.1918845176886168
Energy: 1.1958748801832015
Energy: 1.2594708060226147
Energy: 1.2537446137710528
Energy: 1.2533429895923125
Energy: 1.2506791065489207
Energy: 1.2513393343571946
Energy: 1.250008725044648
Energy: 1.2586960725434053
Energy: 1.2487098128325067
Energy: 1.2516612611079736
Energy: 1.2586826448653075
Energy: 1.2502677101689315
Energy: 1.2534673964637955
Energy: 1.3338335053177433
Energy: 1.3077911353610614
Energy: 1.253269782511598
Energy: 1.2132839632815609
Energy: 1.3165169610155676
Energy: 1.253038121759469
Energy: 1.3337156993039714
Energy: 1.249659444663192
Energy: 1.2517968454124342
Energy: 1.2116316003533076
Energy: 1.2614713458657376
Energy: 1.2513043253879617
Energy: 1.2247745243799255
Energy: 1.179803118887778
Energy: 1.2317667186160035
Energy: 1.2321592962902599
Energy: 1.1935119387118938
Energy: 1.2254674542345962
Energy: 1.23254235667868
Energy: 1.2305209247304916
Energy: 1.2300927840073688
Energy: 1.2360450844560344
Energy: 1.2301657910771016
Energy: 1.2296102597316572
Energy: 1.1825347331895488
Energy: 1.1892319659849524
Energy: 1.1897841247191985
Energy: 1.1782580310412556
Energy: 1.1867583015686176
Energy: 1.1833190172939578
Energy: 1.189054612320173
Energy: 1.2339437940474456
Energy: 1.2251052297231915
Energy: 1.1643440008031538
Energy: 1.2366321243458278
Energy: 1.1651790629324015
Energy: 1.185560115635701
Energy: 1.2025498549394107
Energy: 1.191233125659799
Energy: 1.1790411516969104
Energy: 1.1968690678893539
Energy: 1.1902588905770501
Energy: 1.3329291050176042
Energy: 1.2459128957847623
Energy: 1.2464186554449679
Energy: 1.2454088842277318
Energy: 1.244576736967778
Energy: 1.2460420398314578
Energy: 1.3321292391383615
Energy: 1.2454880018329901
Energy: 1.2452832610246982
Energy: 1.2499536839200431
Energy: 1.2489387375177956
Energy: 1.2485215237184577
Energy: 1.3355968407595016
Energy: 1.2069451295127196
Energy: 1.3102594930354767
Energy: 1.2437238136887794
Energy: 1.2114333431541846
Energy: 1.3032467315166576
Energy: 1.3634762038535266
Energy: 1.215926077355256
Energy: 1.2158544097335966
Energy: 1.363941034536403
Energy: 1.2158291661284462
Energy: 1.3078919437006304
Energy: 1.400482896307165
Energy: 1.2287757482266712
Energy: 1.2569867380961433
Energy: 1.299536763601916
Energy: 1.2270576619366618
Energy: 1.2518197620337663
Energy: 1.459668169740369
Energy: 2.3110422745954193
Energy: 1.2494196711400194
Energy: 1.2395448293441738
Energy: 2.108639029223355
Energy: 1.2358906415963486

minimum gb energy = 1.1619891400715872 eV
minimum distance =  2.25088048075659 Angstroms
sigma value = 43


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

Energy: 1.192452601277657
Energy: 2.5063777355876335
Energy: 1.1794769812000123
Energy: 1.2097883508673464
Energy: 2.5938889533783387
Energy: 1.2105647465061669
Energy: 1.2448052369889335
Energy: 1.1913084785963786
Energy: 1.2047768788848372
Energy: 1.2472078144285157
Energy: 1.1898691433975102
Energy: 1.2121041969942052
Energy: 1.2062068683193388
Energy: 1.2015290863964712
Energy: 1.2012780787168393
Energy: 1.358375245777002
Energy: 1.2017867389949428
Energy: 1.2288240395202403
Energy: 1.2066999453434193
Energy: 1.2014179643446505
Energy: 1.231734046625995
Energy: 1.2494819165162203
Energy: 1.2016376992498694
Energy: 1.2350089353594815
Energy: 1.1781362255148804
Energy: 1.1713921041440278
Energy: 1.1712754265071075
Energy: 1.1772131346428851
Energy: 1.1723382726757092
Energy: 1.171272910731875
Energy: 1.177253531817047
Energy: 1.1721294092366072
Energy: 1.1722417450215288
Energy: 1.1727344841313303
Energy: 1.1716696099598598
Energy: 1.172533277086165
Energy: 1.1708408098426508
Energy: 1.183592694370209
Energy: 1.1802147182748406
Energy: 1.182237279642115
Energy: 1.1804216543871089
Energy: 1.1745715540363253
Energy: 1.3072142425613804
Energy: 1.2024279717053767
Energy: 1.2889698726077916
Energy: 1.1944621072027044
Energy: 1.2508457976359844
Energy: 1.2048180686873622
Energy: 1.169747306131115
Energy: 1.2322759796605756
Energy: 1.2320727572610823
Energy: 1.1832745904774629
Energy: 1.2554550493001735
Energy: 1.2315993253462714
Energy: 1.3969885404379074
Energy: 1.2345625902220272
Energy: 1.2514772852022102
Energy: 1.2361363258872544
Energy: 1.2345117170648001
Energy: 1.2763673561498061
Energy: 1.1698355998517798
Energy: 1.2507132589205308
Energy: 1.2230581359020545
Energy: 1.1958403238457749
Energy: 1.257764350189433
Energy: 1.192343883098384
Energy: 1.4608381842883906
Energy: 1.2317119983333695
Energy: 1.23177750905966
Energy: 1.2558044441357388
Energy: 1.242194325586214
Energy: 1.2314238583338608
Energy: 1.3964153324597284
Energy: 1.214328805182445
Energy: 1.2600595149393177
Energy: 1.20949805422681
Energy: 1.2833192405553389
Energy: 1.2619076070762107
Energy: 1.1695650248016267
Energy: 1.1858614674511696
Energy: 1.1870250136192724
Energy: 1.1859766686658422
Energy: 1.185865190755734
Energy: 1.1887686839466052
Energy: 1.1694831860785113
Energy: 1.195878403029545
Energy: 1.190531462420313
Energy: 1.194034591486275
Energy: 1.170618873205775
Energy: 1.1911592905434059
Energy: 1.165767416617966
Energy: 1.1774168318531346
Energy: 1.1908505924961759
Energy: 1.1661311240647463
Energy: 1.1759634084604282
Energy: 1.1872272228190655
Energy: 1.194551137961728
Energy: 1.1926301384865274
Energy: 1.1928071550438542
Energy: 1.213764442417699
Energy: 1.1917313825796794
Energy: 1.1936241896790243
Energy: 1.1943489248222972
Energy: 1.204447658356935
Energy: 1.2025873401302134
Energy: 1.2135153070720872
Energy: 1.205900649639181
Energy: 1.1986958877061853
Energy: 1.3041859316426547
Energy: 1.2128834197508307
Energy: 1.213798065830842
Energy: 1.2387232056974733
Energy: 1.2511032227895988
Energy: 1.2341947735883974
Energy: 1.458403353952113
Energy: 1.2058619293413069
Energy: 1.2099214426447915
Energy: 1.2321611691974135
Energy: 1.2431745802110283
Energy: 1.235282351573061
Energy: 1.194631465522725
Energy: 1.2516194308294182
Energy: 1.206247178121796
Energy: 1.2133436669057025
Energy: 1.1942843152860685
Energy: 1.206702532788671
Energy: 1.3083127307897
Energy: 1.2311021165806229
Energy: 1.2308202834488446
Energy: 1.3086321056985153
Energy: 1.2098781354820407
Energy: 1.2857885403910894
Energy: 1.2551270827798946
Energy: 1.2218247985828665
Energy: 1.2067293533645602
Energy: 1.2092671832166382
Energy: 1.2088388289761773
Energy: 1.212503259638472
Energy: 1.287547991428359
Energy: 1.2143393203512547
Energy: 1.2093405430333706
Energy: 1.2043475643414427
Energy: 1.221561762064171
Energy: 1.2093949133849045
Energy: 1.2878908245124128
Energy: 1.1953082562139423
Energy: 1.212751870910154
Energy: 1.1908021362396597
Energy: 1.1939169796570235
Energy: 1.2088073023311185
Energy: 1.2414780366942928
Energy: 1.1908829220795196
Energy: 1.192525090064908
Energy: 1.1911414242132796
Energy: 1.1826647653254323
Energy: 1.192827601050738
Energy: 1.2389383443379576
Energy: 1.190804773415577
Energy: 1.191067417854964
Energy: 1.1874879187285727
Energy: 1.190209451652639
Energy: 1.1911767853801698
Energy: 1.2322968630158353
Energy: 1.1856055683190352
Energy: 1.1856102723717392
Energy: 1.204383432579572
Energy: 1.1858747173431161
Energy: 1.2035694359854145
Energy: 1.2241527444454643
Energy: 1.2318666716851485
Energy: 1.2384460904119212
Energy: 1.2296148515870229
Energy: 1.1927210136686386
Energy: 1.2055197235302788
Energy: 1.2450440137901122
Energy: 1.1941679664242877
Energy: 1.1869055677625224
Energy: 1.2451657976697925
Energy: 1.1886542425157298
Energy: 1.2072183467332944
Energy: 1.2630344381829421
Energy: 3.5106890512116347
Energy: 1.2005639607041052
Energy: 1.2057797994594732
Energy: 2.4993294832640123
Energy: 1.1916715884321318

minimum gb energy = 1.165767416617966 eV
minimum distance =  2.28189137326776 Angstroms
sigma value = 57


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

Energy: 1.379428923633224
Energy: 1.938760911241033
Energy: 1.3016343610093082
Energy: 1.1166901112364873
Energy: 2.1453135746603462
Energy: 1.3021069310752718
Energy: 1.2851193746619556
Energy: 1.1477635386260008
Energy: 1.1490778741217198
Energy: 1.196978516683324
Energy: 1.1929596756813479
Energy: 1.1532014317950061
Energy: 1.1819873262303489
Energy: 1.1442398101214468
Energy: 1.1421467256127351
Energy: 1.2086062614646942
Energy: 1.1439557079992306
Energy: 1.1473738757216345
Energy: 1.1658057646153266
Energy: 1.1418051895501247
Energy: 1.1445938932687008
Energy: 1.1673396577837722
Energy: 1.142522553699759
Energy: 1.1458125080185992
Energy: 1.166425388233698
Energy: 1.1489679081449558
Energy: 1.1487351739303981
Energy: 1.152426439100049
Energy: 1.147152736104338
Energy: 1.1481760654998532
Energy: 1.1085824079135933
Energy: 1.1521869394507422
Energy: 1.147551820538873
Energy: 1.152633208229375
Energy: 1.148009697233496
Energy: 1.148055713650168
Energy: 1.1897831232128684
Energy: 1.1759184642372966
Energy: 1.145336020593901
Energy: 1.14776599533921
Energy: 1.1731914781210058
Energy: 1.145205898166316
Energy: 1.162050023209176
Energy: 1.18302323580353
Energy: 1.229668624047319
Energy: 1.150667645104147
Energy: 1.1791232587405265
Energy: 1.21727909141612
Energy: 1.1828254776801714
Energy: 1.2179249484398458
Energy: 1.2120033132004353
Energy: 1.1978687214897998
Energy: 1.2151890299252632
Energy: 1.2124316521529934
Energy: 1.4055162248473587
Energy: 1.1930753658596502
Energy: 1.1932518321936327
Energy: 1.3272690440500865
Energy: 1.1930120452455704
Energy: 1.214494214623789
Energy: 1.1782667656452508
Energy: 1.2065569950302761
Energy: 1.2210907020580102
Energy: 1.2181770868664512
Energy: 1.1524846874817858
Energy: 1.2193872612979733
Energy: 1.1163621259226706
Energy: 1.2095770064002058
Energy: 1.2105279881741027
Energy: 1.1231097413212296
Energy: 1.2099183867128562
Energy: 1.2614272073316743
Energy: 1.1222920013441953
Energy: 2.133503028602413
Energy: 1.2622720089410993
Energy: 1.2626614059261594
Energy: 1.212617588787034
Energy: 1.2622524482703201
Energy: 1.2844603317505552
Energy: 1.154594344377183
Energy: 1.1537131843416015
Energy: 1.194098122696723
Energy: 1.1537017859454397
Energy: 1.1478244005314793
Energy: 1.1797173079386454
Energy: 1.1573745532140995
Energy: 1.1563840556263583
Energy: 1.1812479143338235
Energy: 1.157476274941915
Energy: 1.1556993158612126
Energy: 1.1722088320504263
Energy: 1.1461661633425506
Energy: 1.1513173300988957
Energy: 1.1729156862761905
Energy: 1.1457190251800022
Energy: 1.147888343870149
Energy: 1.1698758250093624
Energy: 1.1478933623932364
Energy: 1.147977505865071
Energy: 1.1523010307403116
Energy: 1.14802923003375
Energy: 1.1483052657529353
Energy: 1.1700582308013427
Energy: 1.1474519488741612
Energy: 1.1476817958308225
Energy: 1.1514456622131455
Energy: 1.1517793338861142
Energy: 1.1473901843647802
Energy: 1.1887307917127583
Energy: 1.210349273802303
Energy: 1.2111836670915832
Energy: 1.1474820016364637
Energy: 1.1961100880968698
Energy: 1.2121676025916133
Energy: 1.1886949200058603
Energy: 1.2128031428670525
Energy: 1.2132791143322368
Energy: 1.212591955362651
Energy: 1.2122495099117698
Energy: 1.213788687198084
Energy: 1.183399773625464
Energy: 1.218037909789774
Energy: 1.197445666568078
Energy: 1.1953516232879522
Energy: 1.2164234036575805
Energy: 1.1535230194941772
Energy: 1.3384507963412162
Energy: 1.2179361606872416
Energy: 1.191889245104138
Energy: 1.2811629299850078
Energy: 1.217763107417492
Energy: 1.2219266330725629
Energy: 1.2851733581775626
Energy: 1.2165458300301983
Energy: 1.2172168974863025
Energy: 1.1969622714003707
Energy: 1.2154654403039347
Energy: 1.1531694214643773
Energy: 1.1229735858440804
Energy: 2.053378293759289
Energy: 1.2623781701277585
Energy: 1.2628031107466873
Energy: 1.2142164992709341
Energy: 1.2623881989351204

minimum gb energy = 1.1085824079135933 eV
minimum distance =  2.32030357598273 Angstroms
sigma value = 17


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

Energy: 1.335679923790754
Energy: 2.83392747118186
Energy: 1.3012473428136357
Energy: 1.1082206171386773
Energy: 2.2510651526753995
Energy: 1.152870329820559
Energy: 1.2590201607158666
Energy: 1.1905039144302934
Energy: 1.1193929058721204
Energy: 1.1967899413915277
Energy: 1.1918342397283022
Energy: 1.1193458275482129
Energy: 1.1615547406688351
Energy: 1.1081465485883637
Energy: 1.107873510239482
Energy: 1.1628496544036018
Energy: 1.1090930744586025
Energy: 1.1064354770597846
Energy: 1.1712943838438619
Energy: 1.1080025946408771
Energy: 1.0856996347400019
Energy: 1.171532176499441
Energy: 1.107241579813468
Energy: 1.1738395986101888
Energy: 1.038718562015145
Energy: 1.0757496699964386
Energy: 1.0761804213561301
Energy: 1.161132014061963
Energy: 1.0759188798019304
Energy: 1.075356002221088
Energy: 1.056224126429064
Energy: 1.0745053695313111
Energy: 1.074607523670774
Energy: 1.0408953803093275
Energy: 1.0256067823569461
Energy: 1.0406553019072053
Energy: 1.0391103350330595
Energy: 1.025568578892647
Energy: 1.0398984524412118
Energy: 1.0584422318757483
Energy: 1.025341163577662
Energy: 1.0365875352842977
Energy: 1.0267147768343265
Energy: 1.0477787825109002
Energy: 1.0456319088104826
Energy: 1.047683335626971
Energy: 1.0468156377807087
Energy: 1.064550348017495
Energy: 1.028778221323762
Energy: 1.046109772644315
Energy: 1.0450101153930431
Energy: 1.0258951599575765
Energy: 1.0456732100383497
Energy: 1.0458544536355865
Energy: 1.025708914284775
Energy: 1.0757941348177757
Energy: 1.0757245199774934
Energy: 1.0252971510924973
Energy: 1.0763775626975582
Energy: 1.074838937401213
Energy: 1.0255234042154577
Energy: 1.0748682107162262
Energy: 1.0754594998161846
Energy: 1.057590082052129
Energy: 1.1104676617097962
Energy: 1.0759136614566476
Energy: 1.1587936319601793
Energy: 1.160312615958674
Energy: 1.1604776319068753
Energy: 1.0766243245813816
Energy: 1.1598821074801249
Energy: 1.1895141485961112
Energy: 1.15885768983612
Energy: 1.1896137800655406
Energy: 1.18927894379193
Energy: 1.0818549830672244
Energy: 1.189472930403606
Energy: 1.1908057950171629
Energy: 1.175218802750795
Energy: 1.1930370023215153
Energy: 1.1905420261350828
Energy: 1.191423055195407
Energy: 1.1896884518673805
Energy: 1.1191738020888584
Energy: 1.2582348707671105
Energy: 1.1893932768407802
Energy: 1.1902076606262095
Energy: 1.1898910030342607
Energy: 1.1894202498705506
Energy: 1.2381695980717133
Energy: 1.2550309509973272
Energy: 1.206959371930401
Energy: 1.1248561771527337
Energy: 1.1914607965183215
Energy: 1.206054874855888
Energy: 1.1903066462433762
Energy: 1.144320616116949
Energy: 1.1906443366021782
Energy: 1.2618819374033383
Energy: 1.096807822984666
Energy: 1.1910834863842796
Energy: 1.2619046952744668

minimum gb energy = 1.0252971510924973 eV
minimum distance =  2.28911485486461 Angstroms
sigma value = 17


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

Energy: 0.9407988444315613
Energy: 2.1806497539930576
Energy: 1.0689282296544895
Energy: 1.0687311740557386
Energy: 2.1135177055432037
Energy: 1.1056788855519324
Energy: 0.982654811484366
Energy: 1.1270702147906955
Energy: 1.064558453747537
Energy: 1.127336135409482
Energy: 1.1391652184427732
Energy: 1.0686658127657607
Energy: 1.3401779840912547
Energy: 0.9798619699052211
Energy: 1.0519328087780417
Energy: 1.1267987127155776
Energy: 0.979806196397038
Energy: 1.0553840226741298
Energy: 1.1303853222368507
Energy: 1.0519568250017926
Energy: 1.0434168741308203
Energy: 1.1302742719696204
Energy: 0.9826371849677404
Energy: 1.032584188330724
Energy: 0.9977413749527199
Energy: 1.0165682859216794
Energy: 1.01826543131429
Energy: 0.9990969560019362
Energy: 1.008293248191563
Energy: 1.0192639382728998
Energy: 0.9081815303112758
Energy: 0.9833539522085385
Energy: 0.9772689818354339
Energy: 0.9797113292421645
Energy: 0.9837881831548114
Energy: 0.9781582111872557
Energy: 0.9202491649743451
Energy: 0.9836015536584016
Energy: 0.9778094752979785
Energy: 0.9681647658830967
Energy: 0.9873906182838768
Energy: 0.9769332348826549
Energy: 0.9198955755988542
Energy: 0.9555520247588017
Energy: 0.9672956138850823
Energy: 0.9765418735407164
Energy: 0.9550150035032123
Energy: 0.9668403354899184
Energy: 0.921894092998084
Energy: 0.9654883562726218
Energy: 0.9684481411620675
Energy: 0.9234467677264833
Energy: 0.9453644846798105
Energy: 0.9210822634071163
Energy: 0.9212487204406221
Energy: 0.9594121665216988
Energy: 0.9601962275998561
Energy: 0.9204164928674436
Energy: 0.9584831947070094
Energy: 0.9603685907797671
Energy: 0.93417515482704
Energy: 0.9576402249521279
Energy: 0.9586759045840442
Energy: 0.958481504487915
Energy: 0.920104464251287
Energy: 0.9587143410540536
Energy: 0.9250530311892698
Energy: 0.9214974484762555
Energy: 0.9204718831619848
Energy: 0.9255794687701914
Energy: 0.9270674238774365
Energy: 0.9515700623455067
Energy: 0.9399888290229333
Energy: 0.9684646697053526
Energy: 0.9676315855041229
Energy: 0.9663738364704854
Energy: 0.9689920621877305
Energy: 0.9661571522185233
Energy: 0.9847801643472175
Energy: 0.9749361997733885
Energy: 0.9733062620485478
Energy: 0.9848743513859932
Energy: 0.9674741452965688
Energy: 0.9830399789526333
Energy: 0.9841607185725357
Energy: 0.9692132998496003
Energy: 0.9682598810556262
Energy: 0.9835504352481654
Energy: 0.9700816381298157
Energy: 1.0153175416822013
Energy: 0.9826078915517324
Energy: 1.0148215135363587
Energy: 1.0138976551830072
Energy: 1.0084032361337032
Energy: 1.1209556781005174
Energy: 1.0153417764376884
Energy: 0.9219300958427565
Energy: 1.1273897182953407
Energy: 1.1270511463753348
Energy: 0.9884714415498572
Energy: 1.1271598547974433
Energy: 1.0111243305267013
Energy: 1.0006506861339797
Energy: 1.1412989874545199
Energy: 1.094276033786776
Energy: 1.041347367663511
Energy: 1.126919200623212
Energy: 1.0092334486963443
Energy: 1.144151814739905
Energy: 1.0865953838986209
Energy: 1.0895826761423932
Energy: 1.1273367096672582
Energy: 1.0230164225531866
Energy: 1.0915425502168012
Energy: 1.2845813039111633
Energy: 1.0139161582547085
Energy: 1.0120067368426702
Energy: 1.150675945559506
Energy: 1.0149409691681324
Energy: 1.1464212307948345
Energy: 1.2597059881356756
Energy: 1.1129779092380048
Energy: 1.0655962286224558
Energy: 1.129290793084561
Energy: 1.110636177188438
Energy: 1.0651896485554164
Energy: 0.9346616868489447
Energy: 2.545516707259679
Energy: 1.1962497438624562
Energy: 1.0315322144667824
Energy: 1.144680734451231
Energy: 1.0308305877383954
Energy: 0.9393995001224664
Energy: 1.1409698159915758
Energy: 1.1412778297654473
Energy: 0.9656530943005283
Energy: 1.142848331552595
Energy: 1.180521147980686
Energy: 1.3697617478735968
Energy: 1.044506421083547
Energy: 2.0168542606579045
Energy: 1.1283455088784806
Energy: 0.9780385254018483
Energy: 1.0983265970063547
Energy: 1.1277081534238642
Energy: 0.980956232732467
Energy: 1.0514503791001708
Energy: 1.1280769828282302
Energy: 0.9823368284273398
Energy: 1.0503339991106506
Energy: 1.0013377034450512
Energy: 1.0115882486121552
Energy: 1.0173053560159253
Energy: 1.0016370491348678
Energy: 1.0111193793715156
Energy: 1.0193106990930523
Energy: 0.9069334635025275
Energy: 1.015562433009165
Energy: 1.0146090739461844
Energy: 0.9790079231026548
Energy: 1.0247713346177618
Energy: 0.9779404750416155
Energy: 0.904229027229451
Energy: 0.9843771741418169
Energy: 0.983807717754357
Energy: 0.9048065289990289
Energy: 0.986288447803542
Energy: 0.9836706274720237
Energy: 0.9204349031402603
Energy: 0.9672087593852641
Energy: 0.9686498969403591
Energy: 0.9772526259235549
Energy: 0.9839409837200929
Energy: 0.9680143202032139
Energy: 0.9213140752823888
Energy: 0.9541766303899645
Energy: 0.9661349498629983
Energy: 0.9213031524836404
Energy: 0.9547703040737786
Energy: 0.9657005144815936
Energy: 0.9269952113481551
Energy: 0.9617991042064236
Energy: 0.960466158820197
Energy: 0.9209687038220523
Energy: 0.9583987593695483
Energy: 0.9480792751360294
Energy: 0.9341907138734441
Energy: 0.9624341980842505
Energy: 0.9620590308539461
Energy: 0.9928571094355226
Energy: 0.96023164848785
Energy: 0.962515797829059
Energy: 1.019581154837374
Energy: 0.9207784634868829
Energy: 0.9209222051829862
Energy: 1.019205979438204
Energy: 0.9220565315172583
Energy: 0.9207381265372121
Energy: 1.011904706544905
Energy: 0.965534082805472
Energy: 0.9817732417221412
Energy: 0.973864627292692
Energy: 0.951883230690481
Energy: 0.9708440062418003
Energy: 0.9835341120421642
Energy: 0.9700724677879898
Energy: 0.9700564682723198
Energy: 0.9831279098685769
Energy: 0.9720413252221106
Energy: 0.9714197632393385
Energy: 0.9842941339819603
Energy: 0.9681255458814024
Energy: 1.0157661431816718
Energy: 0.9845142913696664
Energy: 0.9678786546667303
Energy: 1.009489267948583
Energy: 0.9846325344762727
Energy: 1.01438747897797
Energy: 1.0146470194749688
Energy: 1.013991656933649
Energy: 0.9847708930118998
Energy: 1.0177926135460915
Energy: 0.918940101700639
Energy: 1.1269799331803922
Energy: 1.126619485010979
Energy: 1.0371357560351464
Energy: 1.1297292356977484
Energy: 1.01277318930191
Energy: 0.921206717197075
Energy: 1.1394147669464576
Energy: 1.0106975212304907
Energy: 1.0171104517799912
Energy: 1.1477587153228594
Energy: 1.0081911336540257
Energy: 0.9838396944979905
Energy: 1.088170411438439
Energy: 1.0944816089477507
Energy: 1.0011948504123573
Energy: 1.1317613755124871
Energy: 1.0844336027066457
Energy: 1.142548435315139
Energy: 1.0095649507690212
Energy: 1.1407246757941447
Energy: 1.1444033605266777
Energy: 1.0091741077680931
Energy: 1.127471725797696
Energy: 1.3626241978587872
Energy: 1.0678923012452963
Energy: 1.1397208728859431
Energy: 1.128823170553241
Energy: 1.0241642334491219
Energy: 1.8848556832516892
Energy: 0.9412864065773784
Energy: 1.140359874064541
Energy: 1.0957300757398276
Energy: 0.9670202113306338
Energy: 1.1415357881922974
Energy: 1.1694110419057984

minimum gb energy = 0.904229027229451 eV
minimum distance =  2.28692791924564 Angstroms
sigma value = 57


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

Energy: 1.0421720737411966
Energy: 2.546342592303995
Energy: 1.0675436681928507
Energy: 0.9657809002023097
Energy: 2.3983155846385307
Energy: 1.0427344098894207
Energy: 1.1130012617732874
Energy: 1.1042166035823606
Energy: 0.963027876077362
Energy: 1.0559472075963403
Energy: 1.0373255193867184
Energy: 1.0294062498996814
Energy: 1.2683543542428277
Energy: 0.9256386773424968
Energy: 0.9260282405042296
Energy: 1.091018159188344
Energy: 0.9254013050276383
Energy: 1.003128204743003
Energy: 1.086149495515436
Energy: 0.9250031945854931
Energy: 0.995538098599546
Energy: 1.0873845206999933
Energy: 0.9280345715352631
Energy: 0.9995296048287938
Energy: 0.9393528623924249
Energy: 0.9799608847717215
Energy: 0.9642091099497037
Energy: 0.9400876439671018
Energy: 0.9649316476412196
Energy: 0.9639602237559008
Energy: 0.8369559429443016
Energy: 0.9505144663077902
Energy: 0.9242037976737884
Energy: 0.8942057890639058
Energy: 0.9507924025711836
Energy: 0.9246657139174649
Energy: 0.8764386830141119
Energy: 0.9594717587856926
Energy: 0.9518459997808842
Energy: 0.924152622685902
Energy: 0.9565335993331299
Energy: 0.9202349857393837
Energy: 0.8792979382994299
Energy: 0.8906979938492116
Energy: 0.890739255269385
Energy: 0.9145249778140073
Energy: 0.8903391620912
Energy: 0.9080994334352168
Energy: 0.8807315219307736
Energy: 0.9070809118076022
Energy: 0.8774365202690935
Energy: 0.8820691578749096
Energy: 0.8858116352078651
Energy: 0.8766109130743713
Energy: 0.8768365194340408
Energy: 0.8937325130321172
Energy: 0.8948942983681583
Energy: 0.877075646242588
Energy: 0.9124627082721077
Energy: 0.8963859773852704
Energy: 0.8517270884570082
Energy: 0.8437516396070388
Energy: 0.8877554426337517
Energy: 0.8864819002308876
Energy: 0.84457117424548
Energy: 0.885736547367471
Energy: 0.9426831464955107
Energy: 0.8540249405673418
Energy: 0.8441015915653636
Energy: 0.8844054517601481
Energy: 0.8511360324600397
Energy: 0.8864277773847647
Energy: 0.843225878723793
Energy: 0.9324729705836179
Energy: 0.928921005381795
Energy: 0.8884960947991882
Energy: 0.9306358266323382
Energy: 0.9085653380646205
Energy: 0.8448468813165403
Energy: 0.8877585196813824
Energy: 0.8431463022366202
Energy: 0.847329665919131
Energy: 0.9303008528265557
Energy: 0.8441156817361108
Energy: 0.8444942566968996
Energy: 0.8910139877082535
Energy: 0.8876369223800799
Energy: 0.8437153333910911
Energy: 0.9161287119043942
Energy: 0.8865044894616552
Energy: 0.8962406846882925
Energy: 0.876523195671
Energy: 0.8940379363611013
Energy: 0.8936989367601452
Energy: 0.8764047848638766
Energy: 0.8920028147213305
Energy: 0.8468400387145399
Energy: 0.8771561992223554
Energy: 0.8768267700289535
Energy: 0.8877064695837376
Energy: 0.8861535705517375
Energy: 0.9130097853938495
Energy: 0.8480572881855515
Energy: 0.9026388317129304
Energy: 0.9172179387822947
Energy: 0.8935958397426305
Energy: 0.9060553204666247
Energy: 0.9099255431694274
Energy: 0.9504531855579076
Energy: 0.9223415448716575
Energy: 0.9325640692204756
Energy: 0.9528471976410712
Energy: 0.9089645260817673
Energy: 0.950520889606355
Energy: 0.949447414158607
Energy: 0.9118590951244515
Energy: 0.9109668863171403
Energy: 0.950942243136249
Energy: 0.9112667787821473
Energy: 0.9888685911017516
Energy: 1.0902630650529215
Energy: 0.9702752342944213
Energy: 0.9597454111338304
Energy: 0.9649692028360994
Energy: 0.9697016836835275
Energy: 0.9858171641141449
Energy: 0.8445668798398087
Energy: 1.082770465708346
Energy: 0.9502014019254544
Energy: 0.9129375288321403
Energy: 1.0825615263313664
Energy: 0.9635218720083168
Energy: 0.8829276985613128
Energy: 1.0416790933124576
Energy: 1.0243311970816238
Energy: 0.9667304099193926
Energy: 1.087111130135676
Energy: 1.0235901877283744
Energy: 1.1951959469596718
Energy: 0.9661858211914331
Energy: 0.9602958517499822
Energy: 1.05379177258733
Energy: 0.9801267997941638
Energy: 0.96293685446322
Energy: 1.271903867586737
Energy: 0.9670179510912424
Energy: 0.9662342620923009
Energy: 1.0819490299224306
Energy: 0.9669986079891951
Energy: 1.0845095414138004
Energy: 1.2858160005374022
Energy: 1.0538898541647757
Energy: 1.0569504370177483
Energy: 1.0884956104636812
Energy: 1.038667696843389
Energy: 1.027230620945839
Energy: 1.0978528586135357
Energy: 2.4398827612358382
Energy: 1.0157987629097227
Energy: 0.9330014267126104
Energy: 2.0816428254142596
Energy: 1.0291324088664726

minimum gb energy = 0.8369559429443016 eV
minimum distance =  2.27789863228069 Angstroms
sigma value = 43


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

Energy: 0.7384712884935549
Energy: 2.2080205491183564
Energy: 0.9285558555891791
Energy: 0.8411617264237862
Energy: 1.9085057847144535
Energy: 0.8731509609722332
Energy: 2.3920934207170514
Energy: 0.8313811015670026
Energy: 0.8326831823510034
Energy: 0.8501679187320845
Energy: 0.8499335226494358
Energy: 0.8301232494041018
Energy: 1.0974810308660525
Energy: 0.7856630008839666
Energy: 0.8139087126656126
Energy: 0.9009497713015271
Energy: 0.7839723363765411
Energy: 0.8150342351187534
Energy: 0.9572035361270389
Energy: 0.8126311035082061
Energy: 0.8159271288754867
Energy: 0.8500457167580778
Energy: 0.8149638209600313
Energy: 0.8773893172179298
Energy: 0.7621857338390768
Energy: 0.8479790565936578
Energy: 0.8329190525335408
Energy: 0.7654923580685057
Energy: 0.8546798895718389
Energy: 0.8301528677611965
Energy: 0.8887564183978914
Energy: 1.7152272822443764
Energy: 0.806048883843357
Energy: 0.7674793588574532
Energy: 0.8514772100215323
Energy: 0.7805658957435871
Energy: 1.0324791422408193
Energy: 0.8529703447619804
Energy: 0.892897265204637
Energy: 0.7893762201313832
Energy: 0.8525920505694912
Energy: 0.7878918269173775
Energy: 1.0025907921971575
Energy: 0.7609819649902526
Energy: 0.7732318938961813
Energy: 0.7877879363843794
Energy: 0.7585836786465158
Energy: 0.7727205152269773
Energy: 0.7902987542550926
Energy: 0.7724665733171816
Energy: 0.7998613543734989
Energy: 0.7925042466859331
Energy: 0.7311510927220054
Energy: 0.786796192953992
Energy: 0.7734329395521367
Energy: 0.763774990674917
Energy: 0.7643620334318043
Energy: 0.7870562455002981
Energy: 0.7631067362700019
Energy: 0.7644188217551997
Energy: 0.7104094646507203
Energy: 0.746687166765891
Energy: 0.7630863838710816
Energy: 0.7772895536017571
Energy: 0.7465688189792997
Energy: 0.756762938002774
Energy: 0.7867368545176054
Energy: 0.7468865869190626
Energy: 0.7481620675638053
Energy: 0.7734105891366755
Energy: 0.7471388402841619
Energy: 0.7686256645569318
Energy: 0.725441601678677
Energy: 0.777757342124544
Energy: 0.7868452124829355
Energy: 0.7814270963572402
Energy: 0.7767868739682564
Energy: 0.7877109091472456
Energy: 0.7238581981758202
Energy: 0.7502084775568805
Energy: 0.7231841362341992
Energy: 0.7261123815279585
Energy: 0.8478469046181425
Energy: 0.7237696892106219
Energy: 0.7234239947506015
Energy: 0.7471753253863129
Energy: 0.74630383576512
Energy: 0.7239664000037155
Energy: 0.7475572674413674
Energy: 0.7525045563967246
Energy: 0.7168672438424626
Energy: 0.712640395611829
Energy: 0.7128025995135241
Energy: 0.7471393466332137
Energy: 0.7128527991483175
Energy: 0.7457562761080675
Energy: 0.7277848476289718
Energy: 0.7126861962816585
Energy: 0.7126830020179428
Energy: 0.749692523900765
Energy: 0.7128742610863149
Energy: 0.7502970598440596
Energy: 0.711943342873128
Energy: 0.7729930251458104
Energy: 0.772539070699839
Energy: 0.7122188387550062
Energy: 0.7699781071666539
Energy: 0.7605815331205411
Energy: 0.712873065808917
Energy: 0.8015246366078431
Energy: 0.7126757509749388
Energy: 0.7142649602390954
Energy: 0.8428971026789258
Energy: 0.712820507293251
Energy: 0.71232724847489
Energy: 0.7732702451622829
Energy: 0.7772817287427868
Energy: 0.7121325263324215
Energy: 0.7737256761341789
Energy: 0.7755219817572468
Energy: 0.7514604936194509
Energy: 0.7236516548763906
Energy: 0.7237168791276695
Energy: 0.7577033491016256
Energy: 0.7238311590368011
Energy: 0.758126468728118
Energy: 0.7181969379107599
Energy: 0.7234166930009442
Energy: 0.7240116537096907
Energy: 0.7499813075398122
Energy: 0.7236690478519296
Energy: 0.7501103228290302
Energy: 0.7468917566657651
Energy: 0.7525662453182143
Energy: 0.7521495389775905
Energy: 0.7489656222350989
Energy: 0.7523247930702944
Energy: 0.7526264152458629
Energy: 0.7476314561084065
Energy: 0.7730165944420229
Energy: 0.746707188453603
Energy: 0.7499007414394016
Energy: 0.7232239015115893
Energy: 0.7470715051848851
Energy: 0.974278441549623
Energy: 0.7700490579053976
Energy: 0.7854466098452532
Energy: 0.7635419024658745
Energy: 0.7697497185705645
Energy: 0.7856865510013659
Energy: 0.8567147168025647
Energy: 0.7867238411061815
Energy: 0.7888974665144105
Energy: 0.7737900023099252
Energy: 0.7869682859824159
Energy: 0.773664978258081
Energy: 0.7135783078472809
Energy: 0.7867558807401904
Energy: 0.7877292217109059
Energy: 0.772229119029562
Energy: 0.786741608477282
Energy: 0.7667330233855705
Energy: 0.7477562237855213
Energy: 0.7959122078710883
Energy: 0.7912960580528748
Energy: 0.8131138439307132
Energy: 0.795555733133348
Energy: 0.7877532658381243
Energy: 0.8546607195717955
Energy: 0.7918142907689314
Energy: 0.8652805493875745
Energy: 0.8568661241592747
Energy: 0.747008827563421
Energy: 0.8516291476217515
Energy: 1.0392704266206707
Energy: 0.7716393798479896
Energy: 0.7925164429817155
Energy: 0.8529229140382399
Energy: 0.7715894876968854
Energy: 0.7923314109813256
Energy: 1.0655868595136766
Energy: 0.8505717870081164
Energy: 0.8877647619123284
Energy: 0.8507256296414348
Energy: 0.8500934464899973
Energy: 0.8309350878162836
Energy: 0.8990015770376688
Energy: 1.863182605314592
Energy: 0.8386414069382162
Energy: 0.7801350774563863
Energy: 0.9549299438214603
Energy: 0.7998441598631413
Energy: 0.7870180183052881
Energy: 0.8732234533379322
Energy: 0.8714545446906596
Energy: 0.8073676586281602
Energy: 0.8981853430647443
Energy: 0.8706422717092165
Energy: 1.040560781126908
Energy: 0.8454550347667606
Energy: 0.8451544885534749
Energy: 0.8497006461355826
Energy: 0.8591084427154204
Energy: 0.8930651470282659
Energy: 1.0972184298078964
Energy: 0.8201273749605041
Energy: 0.8459676022098385
Energy: 0.9015772279267309
Energy: 0.8182174870775732
Energy: 0.8565975466120737
Energy: 1.9635687686432794
Energy: 0.873869916090399
Energy: 0.8707965649169246
Energy: 0.8503166720055313
Energy: 0.8981312205211613
Energy: 0.8302725573162728

minimum gb energy = 0.7104094646507203 eV
minimum distance =  2.32629275027848 Angstroms
sigma value = 81


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

Energy: 0.08765226311942502
Energy: 2.1159934271342333
Energy: 0.08835095002507191
Energy: 0.09057872223514203
Energy: 2.1590194723055114
Energy: 0.08843095552146832
Energy: 2.2243418560844685
Energy: 0.08950444892651732
Energy: 2.2342949705615864
Energy: 2.1430125890393814
Energy: 0.0942449402401259
Energy: 2.1973818723959657
Energy: 0.1393422852144389
Energy: 0.08831500917767024
Energy: 0.0884634357072765
Energy: 2.2642433592244173
Energy: 0.08840149878120451
Energy: 0.13885899954623035
Energy: 0.09368576317164072
Energy: 0.08829372611118938
Energy: 0.08835620436315081
Energy: 2.0479091901704383
Energy: 0.08833092922915273
Energy: 0.1395150661857452
Energy: 0.13876794748009813
Energy: 2.6213446108648806
Energy: 2.547653992371663
Energy: 0.14016319942847152
Energy: 0.13917734755664085
Energy: 2.3972588849765772
Energy: 0.08910837916878045
Energy: 2.260930577478264
Energy: 0.08840125577372315
Energy: 0.09115800095581615
Energy: 2.1567484584161947
Energy: 0.08837447722246336
Energy: 2.3715596730971633
Energy: 0.08923903300646531
Energy: 0.08968044610495846
Energy: 2.3585497219366944
Energy: 2.1119786996499617
Energy: 2.1835529614722478
Energy: 0.14166114203691502
Energy: 0.08822031497029562
Energy: 0.08846482831434888
Energy: 2.40239803121038
Energy: 0.08807414443823965
Energy: 0.14137618590900963
Energy: 0.09253757427881285
Energy: 0.0887039243777873
Energy: 0.14064594420992957
Energy: 2.0488887233893487
Energy: 0.0883948684320939
Energy: 0.14143380361328414
Energy: 0.08874635072086831
Energy: 2.4807829217386836
Energy: 2.5757629646057705
Energy: 0.0886499288796798
Energy: 2.465089394132353
Energy: 2.404718309849162

minimum gb energy = 0.08765226311942502 eV
minimum distance =  0.00033612201933049 Angstroms
sigma value = 3


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

Energy: 0.9338210170323393
Energy: 2.510689736195995
Energy: 0.9303793971313186
Energy: 0.8312259750150313
Energy: 2.080764578059764
Energy: 0.8318373159599728
Energy: 0.9402687102141821
Energy: 0.9123815661782664
Energy: 0.9272412435452854
Energy: 0.8589548805172412
Energy: 0.9120613002182648
Energy: 0.9258939819833161
Energy: 0.9319362562281792
Energy: 0.8335447996570796
Energy: 0.8329011822369811
Energy: 0.9114663383471341
Energy: 0.8597710538136675
Energy: 0.9078883761626851
Energy: 0.8607452705128945
Energy: 0.8333288363791863
Energy: 0.8332099410817492
Energy: 0.8603011358751718
Energy: 0.7742923377179569
Energy: 0.9091132710983733
Energy: 0.7839262879108999
Energy: 0.927103301361666
Energy: 0.9253279703730557
Energy: 0.7839016364372011
Energy: 0.9332309604538754
Energy: 0.9316576840689322
Energy: 0.8150753327458315
Energy: 0.9107367714258834
Energy: 0.8476914164802845
Energy: 0.7311255884758961
Energy: 0.9258283105081603
Energy: 0.7765139800377606
Energy: 0.860541192327848
Energy: 0.7948787410381228
Energy: 0.795781373297487
Energy: 0.8590640405111307
Energy: 0.7947707374448818
Energy: 0.8678330659113868
Energy: 0.8624624909727117
Energy: 0.788190019936178
Energy: 0.7881877311240787
Energy: 0.8625075848617835
Energy: 0.6986022557484522
Energy: 0.7862798777381151
Energy: 0.9157997044756954
Energy: 0.7869378173563814
Energy: 0.8713478791900776
Energy: 0.8812218190176145
Energy: 0.7347344890059985
Energy: 0.8747472176072634
Energy: 0.7411759675051618
Energy: 0.7946475961359502
Energy: 0.794318514931014
Energy: 0.7412513316012779
Energy: 0.800584200094719
Energy: 0.79800016918544
Energy: 0.874070849581879
Energy: 0.7969673663961684
Energy: 0.7973270811791475
Energy: 0.7063956139978029
Energy: 0.8817265365597438
Energy: 0.7383077291621476
Energy: 0.7410344351628344
Energy: 0.7983160679879636
Energy: 0.7962981178003894
Energy: 0.7410758125211002
Energy: 0.7979827683481636
Energy: 0.7408518574307319
Energy: 0.742834386433649
Energy: 0.7658208288505438
Energy: 0.7444552387977726
Energy: 0.742909715226403
Energy: 0.6858170466923986
Energy: 0.7439141329196856
Energy: 0.8670865558287607
Energy: 0.7077163769425655
Energy: 0.7446319267884896
Energy: 0.7460862886760525
Energy: 0.7063316038947199
Energy: 0.7436164587946512
Energy: 0.8632561585966648
Energy: 0.7063410980009396
Energy: 0.7061719465204697
Energy: 0.8621403867960795
Energy: 0.7091703507102528
Energy: 0.7061568413372301
Energy: 0.8615537598401533
Energy: 0.7749193882411934
Energy: 0.774483488463121
Energy: 0.6896037924785443
Energy: 0.851049683628316
Energy: 0.8190381521984219
Energy: 0.6888678255775276
Energy: 0.8162842419976389
Energy: 0.8217088715312671
Energy: 0.6887028054850401
Energy: 0.7076449058224418
Energy: 0.6882386132017648
Energy: 0.6892969754379735
Energy: 0.8116219271421193
Energy: 0.8127029160345876
Energy: 0.6893484117796731
Energy: 0.6889713490127639
Energy: 0.7550992922188152
Energy: 0.8480085359261987
Energy: 0.6921763366140583
Energy: 0.824916306871053
Energy: 0.6936975946952582
Energy: 0.6894740222231749
Energy: 0.8116232212815042
Energy: 0.858811585128162
Energy: 0.6888155678168354
Energy: 0.6884969561501504
Energy: 0.8497207883848997
Energy: 0.69552357893377
Energy: 0.6888025446742508
Energy: 0.8508631565565018
Energy: 0.8200859139756045
Energy: 0.8191022708806533
Energy: 0.7079355614502432
Energy: 0.8176619609365475
Energy: 0.8177259728799791
Energy: 0.7090716110026192
Energy: 0.820234403667169
Energy: 0.7636743678562936
Energy: 0.7068866432752058
Energy: 0.8190078928704089
Energy: 0.7062538151077248
Energy: 0.7061486855911356
Energy: 0.8516175958536382
Energy: 0.8525631883966571
Energy: 0.7060093732549096
Energy: 0.7437049660500523
Energy: 0.7443128142287216
Energy: 0.86384554390525
Energy: 0.742283486298478
Energy: 0.7428391857396769
Energy: 0.6917074994754665
Energy: 0.7430635451885633
Energy: 0.7179935558553171
Energy: 0.7920839959677753
Energy: 0.7412528445209803
Energy: 0.7411615437831842
Energy: 0.7925131775731562
Energy: 0.7419532657837682
Energy: 0.7416027690364225
Energy: 0.8844690545888816
Energy: 0.7629727834746626
Energy: 0.7637924778778871
Energy: 0.8831002163692392
Energy: 0.8149962309045846
Energy: 0.7984520594879534
Energy: 0.799459026804404
Energy: 0.7629021793850103
Energy: 0.7610879357458402
Energy: 0.7996166431924702
Energy: 0.890504298820579
Energy: 0.7970711827147486
Energy: 0.7594108284084234
Energy: 0.9171378082658934
Energy: 0.8731644472887108
Energy: 0.7592829353027942
Energy: 0.914695621978257
Energy: 0.8749852771671967
Energy: 0.8810322382017135
Energy: 1.5136756214771219
Energy: 0.8212203338358722
Energy: 0.7147028731956898
Energy: 0.8631424435871955
Energy: 0.7549612015212076
Energy: 0.794281701869925
Energy: 0.8798000463989009
Energy: 0.8744571694622536
Energy: 0.7941639351468353
Energy: 0.8598847653366387
Energy: 0.8844138707890297
Energy: 0.9262608337347603
Energy: 0.810909530609451
Energy: 0.8096326335952514
Energy: 0.9264696892858145
Energy: 0.7082135409588551
Energy: 0.8087117063539199
Energy: 0.9360870815694249
Energy: 0.8475371422644395
Energy: 0.9198701643542776
Energy: 0.9369889428424816
Energy: 0.7522190072077685
Energy: 2.059275576392654
Energy: 0.8070457512190066
Energy: 0.8624706915281897
Energy: 0.8753200370431184
Energy: 0.8071544815766465
Energy: 0.8622658397072295
Energy: 0.8869181349283068

minimum gb energy = 0.6858170466923986 eV
minimum distance =  2.27591597825041 Angstroms
sigma value = 67


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

Energy: 1.1610963325888737
Energy: 1.947908372552916
Energy: 1.0855267896736092
Energy: 0.8863990550855817
Energy: 2.497359246463211
Energy: 1.081380623080403
Energy: 1.1349605529667868
Energy: 1.0984686232439613
Energy: 1.1142167235378115
Energy: 1.0865214131284435
Energy: 1.0981958316660845
Energy: 1.1020321719802146
Energy: 1.1131274266348634
Energy: 1.013752951449105
Energy: 1.0894052053882204
Energy: 1.0801484326549893
Energy: 0.9168024953739677
Energy: 1.08978669783639
Energy: 1.0943525266385605
Energy: 1.0924348068730991
Energy: 1.0895938066868356
Energy: 1.0946101085050164
Energy: 1.0093332087635687
Energy: 1.0897065251371163
Energy: 1.0010792601327216
Energy: 1.115365027370774
Energy: 1.120625166305975
Energy: 1.0023885932117131
Energy: 1.0958330186522438
Energy: 1.1131388552134613
Energy: 1.075378954853538
Energy: 1.0815306082390566
Energy: 0.9983755265067895
Energy: 0.9183522890921153
Energy: 1.0971279246233385
Energy: 0.9980057818218726
Energy: 1.0019340258398814
Energy: 1.026051254871523
Energy: 1.0239366140115396
Energy: 1.0027754903707078
Energy: 1.0254023978380493
Energy: 1.0196386887478985
Energy: 1.0035877307664645
Energy: 0.8769250460777696
Energy: 0.9109123405940623
Energy: 1.0036532716686803
Energy: 0.8703309140565799
Energy: 1.0222862712510827
Energy: 1.0699359447822323
Energy: 1.0177273431210292
Energy: 1.0191730934575067
Energy: 1.0223301450465352
Energy: 0.9153321850343829
Energy: 1.0251925192773321
Energy: 0.9722775159574485
Energy: 0.9217106672073063
Energy: 0.9171842440909662
Energy: 0.9730065602349279
Energy: 0.9199632281306536
Energy: 0.9161432647030338
Energy: 1.070465285221628
Energy: 0.9162690671504327
Energy: 0.9150337408356674
Energy: 0.8710899259771759
Energy: 1.0575705410192389
Energy: 0.918274167379546
Energy: 0.8706495306355128
Energy: 0.9160439311471208
Energy: 0.916735333333711
Energy: 0.8706199836963799
Energy: 0.9159544457589254
Energy: 0.8697076382492714
Energy: 0.8705468353057783
Energy: 0.8787680422345739
Energy: 1.0169267529802575
Energy: 0.8705956212901875
Energy: 0.8728939539602175
Energy: 0.8690218360869472
Energy: 1.045998712184747
Energy: 0.9524630379185078
Energy: 0.9071080040005831
Energy: 0.8707275770212421
Energy: 0.8683614125475735
Energy: 1.0144570341951573
Energy: 1.0436093451272301
Energy: 0.8748257967381025
Energy: 0.8712427969766973
Energy: 1.0453567999152507
Energy: 0.8717928110160509
Energy: 0.8705624952460904
Energy: 1.048640973741247
Energy: 1.0209716053205524
Energy: 1.0178612595241725
Energy: 0.9183461549052286
Energy: 0.8673329452605817
Energy: 0.9178299406144962
Energy: 0.9230340765527248
Energy: 0.8669845600942852
Energy: 0.8793185193025188
Energy: 0.9235170890619032
Energy: 0.8594233060525324
Energy: 0.9157675339231315
Energy: 0.9164915938197774
Energy: 1.0645361269208744
Energy: 1.0658472963941052
Energy: 0.9166207816837242
Energy: 1.0650821685272698
Energy: 0.9154667655562085
Energy: 1.0652310436013697
Energy: 1.0030160759204674
Energy: 0.9486293649106976
Energy: 0.8849846483931136
Energy: 1.1066002535060493
Energy: 0.9490449292606029
Energy: 0.9158358131150716
Energy: 1.0230752497285744
Energy: 1.0283390916263457
Energy: 0.91650209866824
Energy: 1.005972687959371
Energy: 1.0229285668392303
Energy: 1.0995438310874417
Energy: 1.0878825692869367
Energy: 1.0886593150762656
Energy: 1.1008564333255906
Energy: 0.9451946575630836
Energy: 1.0885156514501744
Energy: 1.1122692535803114
Energy: 0.9369038034497537
Energy: 1.0896898789428582
Energy: 1.0879811685134286
Energy: 0.8840431232077369
Energy: 1.0895482679461563
Energy: 1.0500710570548655
Energy: 1.0075951794574198
Energy: 1.0315030242504712
Energy: 1.05341378547874
Energy: 1.0064272285792089
Energy: 1.1015227621013968

minimum gb energy = 0.8594233060525324 eV
minimum distance =  2.25347194876176 Angstroms
sigma value = 33


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

Energy: 1.2997288272282943
Energy: 2.499460537809968
Energy: 1.2902425668943094
Energy: 1.0295981008149369
Energy: 2.2236435582214256
Energy: 1.1926743983772743
Energy: 1.2462892580006082
Energy: 1.2201470320167995
Energy: 1.2205702390415092
Energy: 1.209373459942688
Energy: 1.211957596360628
Energy: 1.229518195573457
Energy: 1.2451916843306396
Energy: 1.1039753323735415
Energy: 1.1551079929960648
Energy: 1.210320130082486
Energy: 1.0928445098107045
Energy: 1.2115944484411707
Energy: 1.2145675552439046
Energy: 1.1543324079616348
Energy: 1.1628611105811397
Energy: 1.2136441882757731
Energy: 1.1574306313309095
Energy: 1.211087897787293
Energy: 1.0939290167768678
Energy: 1.2221277109607651
Energy: 1.2224173536818175
Energy: 1.0937514179853296
Energy: 1.2142377775681168
Energy: 1.2175979323212123
Energy: 1.211098301841283
Energy: 1.2135702748020927
Energy: 1.2233893759666392
Energy: 0.9945947775666698
Energy: 1.2252158373780042
Energy: 1.1025448000482754
Energy: 1.0942611032721767
Energy: 1.2282642381924922
Energy: 1.1905678582262635
Energy: 1.0936304206309404
Energy: 1.2269422437765767
Energy: 1.1058114338357115
Energy: 1.0925412715078524
Energy: 0.9976026590145732
Energy: 0.9987454562978579
Energy: 1.0927359360109592
Energy: 1.003574246339203
Energy: 1.1092604459918722
Energy: 1.1795143998737982
Energy: 1.10086113928324
Energy: 1.0991153641201197
Energy: 1.1074083278437243
Energy: 0.9973407431779993
Energy: 1.109791020642432
Energy: 1.179364262043541
Energy: 0.9984887586098338
Energy: 0.9985740200814961
Energy: 1.1088193363739254
Energy: 0.9999715520300184
Energy: 0.9986139713259541
Energy: 1.179763566755727
Energy: 0.9988474472606366
Energy: 0.9995420618212143
Energy: 1.0021590852104056
Energy: 0.9976710973989426
Energy: 1.0495698046223838
Energy: 0.9984288073057568
Energy: 1.0003132487186448
Energy: 1.0018705992727286
Energy: 0.9984562054241446
Energy: 1.0190541391457497
Energy: 0.9990526067562755
Energy: 0.9978917012523826
Energy: 1.1093983239950191
Energy: 0.9998175171727246
Energy: 0.9976702740709397
Energy: 1.1073922031635817
Energy: 0.9978013824665605
Energy: 1.1878238734168587
Energy: 1.1083109151120836
Energy: 1.108296985021528
Energy: 0.9770852140967238
Energy: 1.1414020957861903
Energy: 1.022074084977066
Energy: 1.0874032596017613
Energy: 1.108351180220107
Energy: 1.110675962571378
Energy: 1.0891637457067918
Energy: 1.0948473924746118
Energy: 1.1063417514082177
Energy: 1.2215867083311684
Energy: 1.119775474261935
Energy: 1.1886212831162513
Energy: 1.219906734795242
Energy: 1.019152268867196
Energy: 1.217295735589038
Energy: 1.3230379898589935
Energy: 1.0195824114966001
Energy: 1.019920382334759
Energy: 1.2117593580325738
Energy: 1.0261440218732085
Energy: 1.1856238120501241
Energy: 1.247047293791849
Energy: 1.2286538722973899
Energy: 1.191009637056548
Energy: 1.2110313918540838
Energy: 1.2173995920435166
Energy: 1.1923847916764707
Energy: 1.2309438391663121
Energy: 2.5113776337009286
Energy: 1.2502740565876391
Energy: 1.017332791235299
Energy: 2.422740179941485
Energy: 1.1509853561175012
Energy: 1.1562487378446258
Energy: 1.226609658107444
Energy: 1.2212202633679727
Energy: 1.1578228293324992
Energy: 1.2145365340627687
Energy: 1.217478672716433
Energy: 1.2459593690619561
Energy: 1.1584319350525274
Energy: 1.1566772189583854
Energy: 1.2119301658951747
Energy: 1.111692809476929
Energy: 1.211280339449688
Energy: 1.2114515240787147
Energy: 1.1040767007379892
Energy: 1.1548626702339548
Energy: 1.2115731230618858
Energy: 1.0870371872057367
Energy: 1.2112701907279384
Energy: 1.0940994537747188
Energy: 1.2185182350797632
Energy: 1.2185730089101527
Energy: 1.0937868589378468
Energy: 1.217678276516755
Energy: 1.2175251219775367
Energy: 1.211110866264194
Energy: 1.2219273262368613
Energy: 1.2209803643404122
Energy: 0.9954988850085879
Energy: 1.2277283684269023
Energy: 1.1029040832744004
Energy: 1.093781854936307
Energy: 1.219941645622795
Energy: 1.1105106389709425
Energy: 1.093276461140557
Energy: 1.2155515048803816
Energy: 1.105869183638074
Energy: 1.0924931829521232
Energy: 0.9974795372663288
Energy: 1.049279847679751
Energy: 1.0928655929252902
Energy: 1.0033636841935856
Energy: 1.1077359358369092
Energy: 1.179229345238042
Energy: 0.9995901785135055
Energy: 1.098091942616779
Energy: 1.1083898583984872
Energy: 1.0222473072044116
Energy: 1.110012782491917
Energy: 1.1786394727651952
Energy: 0.9985210271221785
Energy: 0.9986704813948688
Energy: 1.1090701897805104
Energy: 1.0009018841509885
Energy: 0.9985031525236653
Energy: 1.1795348653646633
Energy: 1.0247619831385792
Energy: 1.0022122594183407
Energy: 1.0030955202059486
Energy: 0.9978482939540356
Energy: 1.0498486363062776
Energy: 0.9979503841341136
Energy: 0.9993861485088196
Energy: 0.9994102205009233
Energy: 0.998080786084203
Energy: 1.0210238112734804
Energy: 0.9986261767928472
Energy: 0.9981171406187338
Energy: 1.1095072840727749
Energy: 0.997957393413034
Energy: 0.9981300035352032
Energy: 1.1075562330954518
Energy: 0.9980024175355667
Energy: 1.1874145670971066
Energy: 1.1090585635017136
Energy: 1.108565287215068
Energy: 0.9760503772547012
Energy: 1.110256609639538
Energy: 1.0208653645933727
Energy: 1.088840646572246
Energy: 1.1115339280414427
Energy: 1.111284565766187
Energy: 0.9760379180110548
Energy: 1.095658866805637
Energy: 1.0505299488776085
Energy: 1.2138651038234258
Energy: 1.1160138037525433
Energy: 1.1891296443326065
Energy: 1.2161088749421842
Energy: 1.019070867246956
Energy: 1.2281043380681393
Energy: 1.3274682543431007
Energy: 1.020078806256113
Energy: 1.0208285971198148
Energy: 1.2101626338692126
Energy: 0.969296856480829
Energy: 1.1856857052736824
Energy: 1.2470132393210038
Energy: 1.1074885444304747
Energy: 1.1941242019761793
Energy: 1.2098874381190832
Energy: 1.092951469373829
Energy: 1.1928921565637394
Energy: 1.230408438908211
Energy: 2.8632150743680107
Energy: 1.2508209726507578
Energy: 1.0244605644145282
Energy: 2.2742669253479164
Energy: 1.1526455361290067

minimum gb energy = 0.969296856480829 eV
minimum distance =  2.26080142286433 Angstroms
sigma value = 41


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

Energy: 1.4551421199255434
Energy: 2.370814617274598
Energy: 1.170088711172441
Energy: 1.1638654206953591
Energy: 2.3707652868000473
Energy: 1.1666386723050135
Energy: 1.4246737578696989
Energy: 1.1737092214179037
Energy: 1.1716371746383487
Energy: 1.243863537913293
Energy: 1.238001716121316
Energy: 1.2879906497204798
Energy: 1.4250493764331247
Energy: 1.1661544242525042
Energy: 1.1658863456019966
Energy: 1.2086542352146918
Energy: 1.2075715496584971
Energy: 1.1650167314163171
Energy: 1.3442083883072848
Energy: 1.1697624608298902
Energy: 1.1660361828187624
Energy: 1.2094631290004991
Energy: 1.2034113598825624
Energy: 1.1713459610192043
Energy: 1.2074022452788058
Energy: 1.1736902276493957
Energy: 1.1701516910246952
Energy: 1.2443275755187106
Energy: 1.2109295725869331
Energy: 1.170071852455753
Energy: 1.2508339650336264
Energy: 1.1741517462281692
Energy: 1.1701045704349908
Energy: 1.172046413012012
Energy: 1.2245748436241715
Energy: 1.1703458593620275
Energy: 1.2072286004444601
Energy: 1.2916036669285338
Energy: 1.1726578946138582
Energy: 1.2081530976003358
Energy: 1.2922943447980797
Energy: 1.1727671091810228
Energy: 1.2098356099048502
Energy: 1.1704797286083652
Energy: 1.1713205828559632
Energy: 1.2109013704966816
Energy: 1.1725748211597415
Energy: 1.1760708434935954
Energy: 1.335653675713868
Energy: 1.1718174310201614
Energy: 1.1692190323528162
Energy: 1.1461560839577714
Energy: 1.1955218108773562
Energy: 1.1689426990857983
Energy: 1.382630415711953
Energy: 1.2267268633116726
Energy: 1.1736413385411995
Energy: 1.1722178275949404
Energy: 1.2091120266530284
Energy: 1.1695887944905121
Energy: 1.2701197120383585
Energy: 1.1737709282414088
Energy: 1.1929847587753308
Energy: 1.1945389402637387
Energy: 1.145661806864261
Energy: 1.287318478737366
Energy: 1.4139437556601941
Energy: 1.1451554420526007
Energy: 1.144906153972141
Energy: 1.4142341096836326
Energy: 1.145198814316773
Energy: 1.1457309984994397
Energy: 1.4261839762424309
Energy: 1.1941101782395822
Energy: 1.1919066284386521
Energy: 1.2356628609224907
Energy: 1.344476588361633
Energy: 1.2893012430499362
Energy: 1.1424199762965048
Energy: 2.502745436437806
Energy: 1.1456200536168832
Energy: 1.151672807948719
Energy: 2.0493654152493237
Energy: 1.1467910814478743

minimum gb energy = 1.1424199762965048 eV
minimum distance =  2.29837018403587 Angstroms
sigma value = 11


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

Energy: 1.6121465417842427
Energy: 3.1773905182125777
Energy: 1.3861080733385027
Energy: 1.4186519169071732
Energy: 2.4914479199961863
Energy: 1.3890390616937554
Energy: 1.5447759399787928
Energy: 1.4145006762082508
Energy: 1.4138657764076659
Energy: 1.4110508681572544
Energy: 1.4078866148428635
Energy: 1.4132359828304553
Energy: 1.5449931106975954
Energy: 1.3891169657586984
Energy: 1.3913355623440509
Energy: 1.4858838969248138
Energy: 1.3906763477768225
Energy: 1.4020327063500237
Energy: 1.4789685888075954
Energy: 1.3850541771020495
Energy: 1.4024050232559802
Energy: 1.415258657542298
Energy: 1.3677028985432895
Energy: 1.4063427011815581
Energy: 1.435102619833245
Energy: 1.3973953475920253
Energy: 1.4148080257646867
Energy: 1.4125331314313259
Energy: 1.3868215825641999
Energy: 1.4139065054310123
Energy: 1.4587971247781624
Energy: 1.3956804425240363
Energy: 1.3987770591169706
Energy: 1.4114754079326002
Energy: 1.388279180981119
Energy: 1.4023303255533224
Energy: 1.390533653983999
Energy: 1.4043279586258473
Energy: 1.3964972909911015
Energy: 1.3914452145751899
Energy: 1.4010393085565762
Energy: 1.3946056596560756
Energy: 1.3903900089359589
Energy: 1.4120710427717456
Energy: 1.4130170571871863
Energy: 1.3912340173713407
Energy: 1.4095557584595797
Energy: 1.4140367941886998
Energy: 1.4299372884409818
Energy: 1.408521067678472
Energy: 1.4059308687007357
Energy: 1.405117133184821
Energy: 1.4081826388240544
Energy: 1.3835961629814637
Energy: 1.4764177009000194
Energy: 1.4085450455875073
Energy: 1.4069225327670076
Energy: 1.4060731800057376
Energy: 1.4099073110499543
Energy: 1.3726626460618394
Energy: 1.3902705496010932
Energy: 1.4134432696685337
Energy: 1.4115094307266864
Energy: 1.3843664745417061
Energy: 1.4086607317013795
Energy: 1.4151142693004568
Energy: 1.3811784474812812
Energy: 1.4045850209400677
Energy: 1.4057567652778318
Energy: 1.3827798565695664
Energy: 1.410144296031902
Energy: 1.4040272374583405
Energy: 1.3812832700264026
Energy: 1.4065471724161316
Energy: 1.4053771002035909
Energy: 1.3974660228916274
Energy: 1.409026448020073
Energy: 1.4044144570221477
Energy: 1.4262167147024751
Energy: 1.4078893766821097
Energy: 1.4080216106797436
Energy: 1.403000860757701
Energy: 1.4380452105601382
Energy: 1.4072034261851578
Energy: 1.3703065206030853
Energy: 1.4065241007186347
Energy: 1.4045947626221271
Energy: 1.3958024926540349
Energy: 1.4081797254178707
Energy: 1.4029706121982932
Energy: 1.3714186578554992
Energy: 1.4073877887954458
Energy: 1.4045416398001254
Energy: 1.3731999066138512
Energy: 1.409844229431446
Energy: 1.3998318450641851
Energy: 1.3702716166420588
Energy: 1.406528974817545
Energy: 1.3997387916246724
Energy: 1.3880793574457864
Energy: 1.4054946858147082
Energy: 1.414668457896958
Energy: 1.4176065180183985
Energy: 1.419311553053351
Energy: 1.4109297180295446
Energy: 1.3997325859262717
Energy: 1.4256705066675495
Energy: 1.388327896806172
Energy: 1.408206230869612
Energy: 1.4098651204928285
Energy: 1.4080840877933278
Energy: 1.4152480078368057
Energy: 1.4093129545248506
Energy: 1.4057847263234677
Energy: 1.4272906010856177
Energy: 1.3623016760154698
Energy: 1.3840950497066156
Energy: 1.3936959127891853
Energy: 1.3664421861420246
Energy: 1.401728496874066
Energy: 1.4513116725236275
Energy: 1.3672997926124308
Energy: 1.393347039153174
Energy: 1.3948039801986654
Energy: 1.3670610147836333
Energy: 1.4060813394106646
Energy: 1.3860934497631268
Energy: 1.4090793749392645
Energy: 1.407161390824542
Energy: 1.4071858335566196
Energy: 1.3953128964619395
Energy: 1.4046600050447067
Energy: 1.4816065268961964
Energy: 1.3964025382745135
Energy: 1.4088710519256191
Energy: 1.3908387742389443
Energy: 1.392289004192862
Energy: 1.409861947548839
Energy: 1.4510950307116035
Energy: 1.4082079596492476
Energy: 1.4040983660767088
Energy: 1.410728904140377
Energy: 1.4153242230149479
Energy: 1.405885180627701
Energy: 1.454066930548134
Energy: 1.39813645379574
Energy: 1.3938839328314825
Energy: 1.455460446439335
Energy: 1.3998427879358022
Energy: 1.3951253142560807
Energy: 1.5024804720423286
Energy: 1.392964658584563
Energy: 1.4173213011448815
Energy: 1.4088444449487725
Energy: 1.3916678467676962
Energy: 1.4052927510503594
Energy: 1.5179502222782502
Energy: 1.3848835066144443
Energy: 1.3970693890227184
Energy: 1.4103953916370864
Energy: 1.3733456990053607
Energy: 1.403279701617576
Energy: 1.4545744352565666
Energy: 1.4435197068976005
Energy: 1.4037797985387523
Energy: 1.4111771931330885
Energy: 1.3977975200793618
Energy: 1.4044973627617896
Energy: 1.5450681640327115
Energy: 1.3877685643033062
Energy: 1.3903328467760891
Energy: 1.4080007587399443
Energy: 1.3885983223289575
Energy: 1.3894056363570955
Energy: 1.5444304481545477
Energy: 1.4108111236458212
Energy: 1.4316205895389322
Energy: 1.4088671745234842
Energy: 1.399535968773849
Energy: 1.4045837371130174
Energy: 1.4464944948600844
Energy: 2.774558605932849
Energy: 1.4097361119134528
Energy: 1.4059105321658354
Energy: 2.694109840228102
Energy: 1.4120787306052098

minimum gb energy = 1.3623016760154698 eV
minimum distance =  2.25184921843749 Angstroms
sigma value = 57


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

Energy: 1.7840499031458834
Energy: 2.1972285695728333
Energy: 1.505899262151903
Energy: 1.5047188759235246
Energy: 2.1910426177671685
Energy: 1.509909272765341
Energy: 1.4822865724440992
Energy: 1.4574223820405774
Energy: 1.4653998781694608
Energy: 1.4579588555273961
Energy: 1.4581051385237347
Energy: 1.4600257601307975
Energy: 1.4849578326928992
Energy: 1.4590595489916856
Energy: 1.4735139494718
Energy: 1.4733051519906146
Energy: 1.459084745286639
Energy: 1.4583127847911812
Energy: 1.435835368759446
Energy: 1.457469473713898
Energy: 1.4611631790207271
Energy: 1.4555728627826285
Energy: 1.434909012446302
Energy: 1.4580672978438791
Energy: 1.4522636040013068
Energy: 1.4585794428078624
Energy: 1.4588228242936896
Energy: 1.458804634866129
Energy: 1.4605891775363198
Energy: 1.4576906343128337
Energy: 1.433419053021195
Energy: 1.482680016306805
Energy: 1.4840646666136668
Energy: 1.4619552841542667
Energy: 1.4909518668056145
Energy: 1.4859710511535633
Energy: 1.4875809871604302
Energy: 1.448644054079792
Energy: 1.4530029256735266
Energy: 1.4854494479732823
Energy: 1.4390682123336576
Energy: 1.4905867655320648
Energy: 1.4826492729648102
Energy: 1.4549749442651947
Energy: 1.4610034208011526
Energy: 1.4586704548887688
Energy: 1.4522405022293783
Energy: 1.4584801428434087
Energy: 1.7151473152093109
Energy: 1.4856247198636336
Energy: 1.510338573282955
Energy: 1.4395372004214222
Energy: 1.4594313680574293
Energy: 1.514543487974616
Energy: 1.7146688663524827
Energy: 1.4853282000946948
Energy: 1.5114065001048538
Energy: 1.437578507194446
Energy: 1.4586323588867212
Energy: 1.5149901146648845
Energy: 1.4858707850361113
Energy: 1.457102449161179
Energy: 1.4598465978746984
Energy: 1.459421594917556
Energy: 1.4552022245621108
Energy: 1.4625514374664295
Energy: 1.4772139158974775
Energy: 1.4743116865992307
Energy: 1.4769846538172657
Energy: 1.4709505119289255
Energy: 1.4750763659353514
Energy: 1.4830015205294138
Energy: 1.4502202563367568
Energy: 1.4590294345408583
Energy: 1.4588313926639804
Energy: 1.4584616517311775
Energy: 1.4583465434392588
Energy: 1.4582203596672045
Energy: 1.5907011166689389
Energy: 1.484398366878438
Energy: 1.483499225223777
Energy: 1.4849409991930018
Energy: 1.4846340791254922
Energy: 1.4849095558174759
Energy: 1.4523975771631399
Energy: 1.4384778268557947
Energy: 1.4594445972805394
Energy: 1.4575036792715006
Energy: 1.4386763256872908
Energy: 1.4592673271661887
Energy: 1.483914070752219
Energy: 1.4398179361157137
Energy: 1.444844361852813
Energy: 1.4761236569943883
Energy: 1.4491995364880723
Energy: 1.4567699325091266
Energy: 1.4127281163266407
Energy: 1.4575717411199423
Energy: 1.4580109894221798
Energy: 1.4441352110754004
Energy: 1.4581100732038597
Energy: 1.4595011713389863

minimum gb energy = 1.4127281163266407 eV
minimum distance =  2.27021672055562 Angstroms
sigma value = 9


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

Energy: 2.1559560814596863
Energy: 2.8090786461801533
Energy: 1.5162222846449316
Energy: 1.5186347441252859
Energy: 2.677690037138894
Energy: 1.51555676201061
Energy: 1.6758805753907795
Energy: 1.483185975452409
Energy: 1.48249341347673
Energy: 1.4844669055656738
Energy: 1.46095701576843
Energy: 1.4808516863072045
Energy: 1.5982911417945274
Energy: 1.5003528162686244
Energy: 1.4828031725838515
Energy: 1.516378978600168
Energy: 1.5040942465440639
Energy: 1.508368991786124
Energy: 1.5306573363439695
Energy: 1.486217453949514
Energy: 1.4856375941583135
Energy: 1.484705174572705
Energy: 1.4832656336472674
Energy: 1.4857194588867593
Energy: 1.5001820858131996
Energy: 1.4647049070444838
Energy: 1.4612500396317618
Energy: 1.4596430217883831
Energy: 1.4698029516862081
Energy: 1.460384036518092
Energy: 1.5107993120002343
Energy: 1.486572058703653
Energy: 1.4841903989724434
Energy: 1.4779981965598004
Energy: 1.491392475036651
Energy: 1.4836453049326683
Energy: 1.5152273098073379
Energy: 1.5175087490947545
Energy: 1.4757072064930923
Energy: 1.4704171865813356
Energy: 1.5208724466878818
Energy: 1.4796485980456737
Energy: 1.5729015285401111
Energy: 1.4826758696860125
Energy: 1.4716402889794398
Energy: 1.4668885446338937
Energy: 1.4836802310530872
Energy: 1.4703037759501512
Energy: 1.654812183029037
Energy: 1.4664968945486012
Energy: 1.463629166893489
Energy: 1.4985728303282062
Energy: 1.4704571205145442
Energy: 1.4755508629593919
Energy: 1.6555665134094273
Energy: 1.4685008928039358
Energy: 1.4661172320315665
Energy: 1.4769215989320796
Energy: 1.4664263688318178
Energy: 1.4655433418001196
Energy: 1.565356839442867
Energy: 1.4588660738203159
Energy: 1.4588427084293498
Energy: 1.4674303124702202
Energy: 1.4605483343156345
Energy: 1.4730675658929384
Energy: 1.5710231406879351
Energy: 1.479410255089315
Energy: 1.4766202921436453
Energy: 1.472574617780102
Energy: 1.46993026429253
Energy: 1.4688343070425702
Energy: 1.6356288753053347
Energy: 1.510578779017138
Energy: 1.507976330490302
Energy: 1.5166291259739786
Energy: 1.503444331042387
Energy: 1.5242947377232878
Energy: 1.6823244432300994
Energy: 1.4838079504196418
Energy: 1.4858660667986965
Energy: 1.475842766623569
Energy: 1.4811328685292777
Energy: 1.486493248142964
Energy: 1.5724050993999878
Energy: 1.4566467083609838
Energy: 1.457456434825346
Energy: 1.4666825857497008
Energy: 1.4561571396936732
Energy: 1.4645462909418996
Energy: 1.5385297960445867
Energy: 1.5013127807051114
Energy: 1.5500149172339044
Energy: 1.5097256557035972
Energy: 1.505184755004391
Energy: 1.5384889088483495
Energy: 1.6045049249671521
Energy: 1.4829114815246633
Energy: 1.500312696390146
Energy: 1.4851306117781309
Energy: 1.4842298442908226
Energy: 1.500115734164572
Energy: 1.5691176979099999
Energy: 1.5074558229365158
Energy: 1.5067972116582509
Energy: 1.5083175049395092
Energy: 1.5017273807892852
Energy: 1.5060465041012672
Energy: 1.5915361359770426
Energy: 1.482174265968136
Energy: 1.4805016835691052
Energy: 1.462354240271516
Energy: 1.4856443918926594
Energy: 1.4803428438566946
Energy: 1.5957542979427193
Energy: 1.4833842853472157
Energy: 1.4823296462188467
Energy: 1.4817608300572218
Energy: 1.4834604622710859
Energy: 1.4824350105722355
Energy: 1.6361948805997844
Energy: 1.4645102539653572
Energy: 1.4636474612948878
Energy: 1.4971794764313564
Energy: 1.4664056149173346
Energy: 1.4700413256587717

minimum gb energy = 1.4561571396936732 eV
minimum distance =  2.20366620530893 Angstroms
sigma value = 27


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

Energy: 1.4507921656027618
Energy: 2.352365304195418
Energy: 1.3314855641153123
Energy: 1.3276116680138896
Energy: 2.178291981181761
Energy: 1.4334594608890912
Energy: 1.6287109047484383
Energy: 1.4442895785586845
Energy: 1.397718044581766
Energy: 1.3998028869030832
Energy: 1.397144657118944
Energy: 1.3992935375801694
Energy: 1.640520782558614
Energy: 1.5210418058799255
Energy: 1.3950190606741009
Energy: 1.4219598338341795
Energy: 1.390557196313341
Energy: 1.5135993199820021
Energy: 1.6275867189926279
Energy: 1.3981753444657241
Energy: 1.4217218113455066
Energy: 1.4466108832415256
Energy: 1.400734312471663
Energy: 1.400569146181553
Energy: 1.3883789627361953
Energy: 1.3965905121354454
Energy: 1.3993709755436963
Energy: 1.388944840189339
Energy: 1.3969419057998378
Energy: 1.400250979010542
Energy: 1.5575305242534367
Energy: 1.4272765167653592
Energy: 1.4403033060230923
Energy: 1.438642823903415
Energy: 1.4387290940967128
Energy: 1.4896122143762975
Energy: 1.6226800503209244
Energy: 1.3301430806342456
Energy: 1.331436878203416
Energy: 2.6369659125554996
Energy: 1.3284117708357508
Energy: 1.331335954096555
Energy: 1.6291691698250814
Energy: 1.327349709295055
Energy: 1.4269970812150068
Energy: 1.5022958141739502
Energy: 1.3267643932895798
Energy: 1.5145045326665403
Energy: 1.7146772884130976
Energy: 1.4383038888810822
Energy: 1.4445416862491034
Energy: 1.4402815613651443
Energy: 1.497022711207011
Energy: 1.4393202989609193
Energy: 1.7144291265059823
Energy: 1.438704667941389
Energy: 1.4442005057132987
Energy: 1.441366918072673
Energy: 1.4765951341976506
Energy: 1.4390488933956043
Energy: 1.599142370050799
Energy: 1.4954823587521067
Energy: 1.4409375879492472
Energy: 1.496718019652285
Energy: 1.4149930311382066
Energy: 1.5009701144555276
Energy: 1.6362703334588415
Energy: 1.446721059746015
Energy: 1.4480160480207438
Energy: 1.450039312680217
Energy: 1.4465880107529803
Energy: 1.4489183395535614
Energy: 1.3260924623262875
Energy: 2.744714478039287
Energy: 1.327219409968093
Energy: 1.3278797021418787
Energy: 2.4478590489618215
Energy: 1.3266570065549865
Energy: 1.3273407573575344
Energy: 1.4491149664541472
Energy: 1.4485123268185482
Energy: 1.325523590362024
Energy: 1.4991966449716487
Energy: 1.3268624299282403
Energy: 1.6024728779033712
Energy: 1.4455630421394021
Energy: 1.4469690851347659
Energy: 1.4480848431312956
Energy: 1.4469500856196829
Energy: 1.4511283329870341
Energy: 1.6243826362127254
Energy: 1.4465389037291136
Energy: 1.4476563942810365
Energy: 1.491455320445625
Energy: 1.4472272399617854
Energy: 1.4513424772753567
Energy: 1.3893906496542328
Energy: 1.4824260010647332
Energy: 1.4828400541565112
Energy: 1.4116376954261607
Energy: 1.4843280687127898
Energy: 1.5222098311137615
Energy: 1.4996093924893
Energy: 1.4391844417357322
Energy: 1.4472148593276566
Energy: 1.4426725365594069
Energy: 1.440945834239064
Energy: 1.441610296891789
Energy: 1.623579590955776
Energy: 1.326154979003362
Energy: 1.3263454763481446
Energy: 1.4399031617437137
Energy: 1.3262808019239911
Energy: 1.3272575203522514
Energy: 1.6395001736828327
Energy: 1.3261832215655558
Energy: 1.3263535135077922
Energy: 1.4405992383996344
Energy: 1.3262854454255093
Energy: 1.3273214389935417
Energy: 1.7637879072382137
Energy: 1.4406912903687112
Energy: 1.439322000289836
Energy: 1.4461567334988972
Energy: 1.440272291103787
Energy: 1.4439250435068582
Energy: 1.3939552339210985
Energy: 1.424024230543112
Energy: 1.420929327621665
Energy: 1.3908461504379641
Energy: 1.4179487935477346
Energy: 1.517296353282486
Energy: 1.6326929877547949
Energy: 1.4148976620245848
Energy: 1.395051784601198
Energy: 1.3952075925194563
Energy: 1.415105459064045
Energy: 1.4148200736608083
Energy: 1.629204515488745
Energy: 1.3942747555152708
Energy: 1.3938046487812856
Energy: 1.3955614580341438
Energy: 1.3974888025672583
Energy: 1.514001233408214
Energy: 1.4792949872431096
Energy: 1.3969084157477951
Energy: 1.3982946216400856
Energy: 1.32560112194414
Energy: 1.3967290388116373
Energy: 1.429346960223722

minimum gb energy = 1.325523590362024 eV
minimum distance =  2.24672522112773 Angstroms
sigma value = 19


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

Energy: 2.08552915764523
Energy: 2.96902347812162
Energy: 1.329021968394898
Energy: 1.3537923873776243
Energy: 2.9021688727925175
Energy: 1.329387786607516
Energy: 1.5986271821238889
Energy: 1.3533817170456488
Energy: 1.3540611212402383
Energy: 1.3511875124725594
Energy: 1.3544873066976244
Energy: 1.3535025185578915
Energy: 1.538773067262342
Energy: 1.3543262796255326
Energy: 1.357051032493419
Energy: 1.3537798101655445
Energy: 1.353296266197268
Energy: 1.3538078634673483
Energy: 1.429877438642989
Energy: 1.3536476915924747
Energy: 1.3549597657623718
Energy: 1.3889625779157528
Energy: 1.3530546798198142
Energy: 1.3557860265115773
Energy: 1.3638333343762505
Energy: 1.3544410572989751
Energy: 1.3564200211521509
Energy: 1.3609657061596743
Energy: 1.3564619311987125
Energy: 1.3557253165014118
Energy: 1.4061702380994425
Energy: 1.3559605596031326
Energy: 1.4028736580615409
Energy: 1.3753825048169643
Energy: 1.3563419839278954
Energy: 1.4007101797436567
Energy: 1.4589053096466706
Energy: 1.381082177011163
Energy: 1.3782761305055695
Energy: 1.3846841078754544
Energy: 1.3404465809020245
Energy: 1.3788906557929634
Energy: 1.439161979005346
Energy: 1.347493145258904
Energy: 1.3531442099508404
Energy: 1.398489757358338
Energy: 1.34669064940422
Energy: 1.3539380053515486
Energy: 1.3476726522590161
Energy: 1.353858722745957
Energy: 1.3534590918101987
Energy: 1.3516232797686252
Energy: 1.3550186741608317
Energy: 1.352902052105016
Energy: 1.348877018895929
Energy: 1.3575042408451277
Energy: 1.357529225770866
Energy: 1.3520758961991428
Energy: 1.3568799600432644
Energy: 1.3577061847546958
Energy: 1.5462659802470238
Energy: 1.3329501043878607
Energy: 1.3358126307000338
Energy: 1.3425923538362323
Energy: 1.331302437406239
Energy: 1.3322175273659749
Energy: 1.5627437040854706
Energy: 1.33223911697488
Energy: 1.3330397671901146
Energy: 1.3326797795544556
Energy: 1.331210111479649
Energy: 1.3337882067291944
Energy: 1.4285321939707771
Energy: 1.431546179468737
Energy: 1.3584626319530604
Energy: 1.3204908152496362
Energy: 1.3931326813178913
Energy: 1.3585440423489543
Energy: 1.5153075651454888
Energy: 1.3572309755351446
Energy: 1.3572163154687593
Energy: 1.3240831024809563
Energy: 1.357345496566628
Energy: 1.36356155003844
Energy: 1.531545180510554
Energy: 1.3310298590740999
Energy: 1.331777575150349
Energy: 1.3325825606621635
Energy: 1.3306259948343702
Energy: 1.332475691741489
Energy: 1.5466650626709753
Energy: 1.3333527510919947
Energy: 1.3341699196237728
Energy: 1.3326670776702592
Energy: 1.3315202025588941
Energy: 1.3342474094507297
Energy: 1.3891514669801754
Energy: 1.394250896147529
Energy: 1.3691207201268172
Energy: 1.3263174756320124
Energy: 1.3331728952204442
Energy: 1.368976764504513
Energy: 1.4855239304235284
Energy: 1.3316414664031746
Energy: 1.33225247484474
Energy: 1.3222885951765317
Energy: 1.3310237394798223
Energy: 1.3331869060741541
Energy: 1.5121673236091422
Energy: 1.323905388224836
Energy: 1.3245727625321566
Energy: 1.333203560245861
Energy: 1.3235837586387589
Energy: 1.3323662222374244
Energy: 1.5331604362458118
Energy: 1.3238593963195435
Energy: 1.3245589625225593
Energy: 1.3316722910315137
Energy: 1.3233505839470117
Energy: 1.33248233791469
Energy: 1.3294599402296048
Energy: 1.331929462148395
Energy: 1.3319691880920188
Energy: 1.331732258146448
Energy: 1.3321056160872782
Energy: 1.3325759965159618
Energy: 1.3252748334253297
Energy: 1.3339171807279537
Energy: 1.3337327334504612
Energy: 1.3309739021539575
Energy: 1.3331707231316017
Energy: 1.3329099259397224
Energy: 1.5066219104549456
Energy: 1.3200894908823348
Energy: 1.3178799379151693
Energy: 1.3561801224276748
Energy: 1.3186539897999514
Energy: 1.3327528973361535
Energy: 1.5392110741936154
Energy: 1.3174531369981455
Energy: 1.3457545161655877
Energy: 1.356104808638782
Energy: 1.3165425396281973
Energy: 1.3325119799596357
Energy: 1.4350354447588523
Energy: 1.3323834926619436
Energy: 1.3327002507481356
Energy: 1.3296855039677662
Energy: 1.33193147030804
Energy: 1.332422554314335
Energy: 1.3777909670067408
Energy: 1.3330800540943353
Energy: 1.3332468230886938
Energy: 1.3473402369181764
Energy: 1.3328730615387268
Energy: 1.3330956107436591
Energy: 1.5384388597419554
Energy: 1.3590589527239805
Energy: 1.3582160500918026
Energy: 1.358222471152771
Energy: 1.3554272891238697
Energy: 1.3580631046083411
Energy: 1.5383024099597489
Energy: 1.3530631112227787
Energy: 1.3536958718232552
Energy: 1.355744447554361
Energy: 1.3524663866351565
Energy: 1.354230390987788
Energy: 1.4658154022410665
Energy: 1.3541302155214254
Energy: 2.760387680371947
Energy: 1.314117418578291
Energy: 1.3532041146433709
Energy: 1.3263981310091197

minimum gb energy = 1.314117418578291 eV
minimum distance =  2.20562159496905 Angstroms
sigma value = 101


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

Energy: 1.8956908210037433
Energy: 2.8112725420699056
Energy: 1.4619318734027702
Energy: 1.334711483482239
Energy: 2.883377806045822
Energy: 1.7295084849413664
Energy: 1.5778615341368454
Energy: 1.3082840883816367
Energy: 1.2859754842190694
Energy: 1.28491728867378
Energy: 1.2848078771116758
Energy: 1.2873994106670927
Energy: 1.5280217998854495
Energy: 1.2874266455024608
Energy: 1.2919503128289307
Energy: 1.3320392217191666
Energy: 1.2841329372988894
Energy: 1.286989301883399
Energy: 1.3721276130514186
Energy: 1.2851367456713587
Energy: 1.2869340013325787
Energy: 1.285447196900433
Energy: 1.2837888068481633
Energy: 1.2875186197637085
Energy: 1.2928968356381132
Energy: 1.3284341481712572
Energy: 1.2851766291697932
Energy: 1.2906624448102662
Energy: 1.327493141103767
Energy: 1.2990461189706708
Energy: 1.3229754241783092
Energy: 1.3085120322732737
Energy: 1.3080698664240464
Energy: 1.294216771876403
Energy: 1.2886527773718595
Energy: 1.3081171954986561
Energy: 1.422434315287538
Energy: 1.276765818889216
Energy: 1.27143089721697
Energy: 1.339921674539474
Energy: 1.2732943782046637
Energy: 1.27133099328619
Energy: 1.2751866461865402
Energy: 1.2874172217567756
Energy: 1.2874247047755238
Energy: 1.2854872757523823
Energy: 1.2706666419704644
Energy: 1.2881634080958118
Energy: 1.2750497869837873
Energy: 1.286610527011286
Energy: 1.2864870407577793
Energy: 1.28521326495368
Energy: 1.2866259664585546
Energy: 1.2953004066301927
Energy: 1.2743293746242552
Energy: 1.2845339388509045
Energy: 1.2846796724059772
Energy: 1.2835124012069328
Energy: 1.2828220469016829
Energy: 1.2843104112760528
Energy: 1.5426524194164215
Energy: 1.2594515012059568
Energy: 1.2636617552143825
Energy: 1.418031269016912
Energy: 1.2580683271434485
Energy: 1.2564733247779662
Energy: 1.5283760634548038
Energy: 1.2810594634286447
Energy: 1.2820761104215748
Energy: 1.282285086015165
Energy: 1.2798816732001697
Energy: 1.2825054467560653
Energy: 1.3257037259774134
Energy: 1.3087877812896218
Energy: 1.3093762559396551
Energy: 1.2701163141796943
Energy: 1.3100609716488847
Energy: 1.3096017079208304
Energy: 1.3252836688208725
Energy: 1.2810167661518463
Energy: 1.281243933359884
Energy: 1.270127107809536
Energy: 1.2843915337784781
Energy: 1.281531426689942
Energy: 1.529243300529343
Energy: 1.283366811302892
Energy: 1.2895357790552755
Energy: 1.2819011742582362
Energy: 1.280022917708086
Energy: 1.2821067012880458
Energy: 1.527441980622202
Energy: 1.285444408883283
Energy: 1.2865626402473742
Energy: 1.3088697461773755
Energy: 1.292625967486734
Energy: 1.2878148373944036
Energy: 1.3515111994456377
Energy: 2.748110480467402
Energy: 1.291777258777431
Energy: 1.2458209400591207
Energy: 2.6219339954242984
Energy: 1.2440049884449202
Energy: 1.5263443341602572
Energy: 1.2875584226595629
Energy: 1.2876498587912173
Energy: 1.2899505307864703
Energy: 1.288673789264818
Energy: 1.2910360954350346
Energy: 1.5625725196005238
Energy: 1.285662565055194
Energy: 1.2863735082805081
Energy: 1.286919444529192
Energy: 1.285512319734515
Energy: 1.2867632963620161
Energy: 1.4925071727566015
Energy: 1.285267239163032
Energy: 1.286492825031806
Energy: 1.2876067973058152
Energy: 1.284869954799002
Energy: 1.2874291919971548
Energy: 1.292205138526758
Energy: 1.2885299721566479
Energy: 1.2880939121399084
Energy: 1.29535550320692
Energy: 1.287048339484137
Energy: 1.2902003168658946
Energy: 1.37112203062254
Energy: 1.2900017593249518
Energy: 1.2892952400285806
Energy: 1.2918072753699439
Energy: 1.2905373726636442
Energy: 1.2883281533340334
Energy: 1.3223618931185648
Energy: 1.2756075383960583
Energy: 1.2727309761893486
Energy: 1.3206949149795197
Energy: 1.2723978697059164
Energy: 1.301631770915325
Energy: 1.2745507744967375
Energy: 1.2716469977619185
Energy: 1.2718486034579886
Energy: 1.3664430052040668
Energy: 1.2707996144345415
Energy: 1.286899424634879
Energy: 1.2866282553030801
Energy: 1.2880181921589118
Energy: 1.2876524933397357
Energy: 1.2843388186364308
Energy: 1.2882489881825085
Energy: 1.2866159847134622
Energy: 1.2756791577317335
Energy: 1.2828048985899196
Energy: 1.2827637294593222
Energy: 1.2826205803732866
Energy: 1.2828747902527806
Energy: 1.2822784847297883
Energy: 1.3755530007004548
Energy: 1.2625291126749065
Energy: 1.2569079993192656
Energy: 1.2826212168565323
Energy: 1.2591927958786553
Energy: 1.2570788550410024
Energy: 1.5267924241444841
Energy: 1.2556336214367954
Energy: 1.2571180868070018
Energy: 1.2805423024253797
Energy: 1.253918998925145
Energy: 1.2796316457226076
Energy: 1.3254725724806393
Energy: 1.2793345562346417
Energy: 1.2799046459994743
Energy: 1.2692579146232916
Energy: 1.2826348079868608
Energy: 1.2792783745981464
Energy: 1.3265969405734281
Energy: 1.2805552992650975
Energy: 1.2795139814198022
Energy: 1.268843156139269
Energy: 1.2802827751885992
Energy: 1.2798354615688579
Energy: 1.529713137192911
Energy: 1.2802915547055034
Energy: 1.280682015756716
Energy: 1.2817228515811803
Energy: 1.2800755767633794
Energy: 1.281120085966385
Energy: 1.5265178281361227
Energy: 1.2842060541064777
Energy: 1.2853542840909071
Energy: 1.2866220365497374
Energy: 1.28375358112653
Energy: 1.2864288985267334
Energy: 1.3534588950984499
Energy: 2.4801890274137044
Energy: 1.29059557899435
Energy: 1.2458188586867076
Energy: 1.3323821738637782
Energy: 1.2907272671363963

minimum gb energy = 1.2440049884449202 eV
minimum distance =  2.20781177688558 Angstroms
sigma value = 33


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

Energy: 0.020480072706870116
Energy: 1.6374615811754478
Energy: 0.021305000990209728
Energy: 0.023127159761587926
Energy: 1.9173559580347779
Energy: 0.021194015786001965
Energy: 0.7470221563736653
Energy: 0.17147334361070585
Energy: 0.1690877091812533
Energy: 0.17181158956625142
Energy: 0.171582737817081
Energy: 0.16906009351132226
Energy: 1.6875610507177166
Energy: 1.110560694662862
Energy: 1.1087639540480365
Energy: 1.1067008860832075
Energy: 1.109479285850503
Energy: 1.1088733820536516
Energy: 0.021526378223868957
Energy: 0.1714733436111736
Energy: 0.1690877091812533
Energy: 0.17181158956625142
Energy: 0.17158273781614544
Energy: 0.16906009351132226

minimum gb energy = 0.020480072706870116 eV
minimum distance =  2.4554126248104 Angstroms
sigma value = 1