Model name: model_name=SNAP_ChenDengTran_2017_Mo__MO_698578166685_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1599882096052174
cohesive_energy=5.130582657262978
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-2.28207631040424e-20, 4.1785567703037e-20, 1.0054667749629419e-19, 1.590812395135038e-19, 2.2331137924691996e-19, 2.9173713893179197e-19, 3.6100724570278198e-19, 4.2810640313470197e-19, 4.90857253181946e-19, 5.47894741352346e-19, 5.98526727340014e-19, 6.425705630086739e-19, 6.802008856114319e-19, 7.118310567198599e-19, 7.380090207427861e-19, 7.593516156842999e-19, 7.76482088255028e-19, 7.900012546927198e-19, 8.004586615828379e-19, 8.083589945650919e-19, 8.14291854640794e-19, 8.185183966012859e-19, 8.21080277039052e-19, 8.21945452421412e-19, 8.20964920321404e-19, 8.17683662574972e-19, 8.115264977705099e-19, 8.01820511721738e-19, 7.877934552910679e-19, 7.68554518269996e-19, 7.4306549019969e-19, 7.101215342513819e-19, 6.68301519750714e-19, 6.15939182998326e-19, 5.51095890267078e-19, 4.71563842155318e-19, 3.74906128002732e-19, 2.58072203498184e-19, 1.171308078348282e-19, -4.92026842124766e-20, -2.4356289190068e-19, -4.74678473531814e-19, -7.613815734795779e-19, -1.134735192323964e-18, -1.6292053538155797e-18, -2.2610076876671397e-18, -3.0073656508496995e-18, -3.84889290609186e-18, -4.78807282717632e-18, -5.85185402508696e-18, -7.50265671992886e-18, -1.1901993430397759e-17, -2.3391618638736597e-17, -5.573892400854299e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -17.2757958404 eV

========================================
theta = 0.0
========================================

Energy: 0.012947425915819492
Energy: 0.01616300024150376
Energy: 0.2184898929763174
Energy: 0.2186292014136546
Energy: 0.22077583932275527
Energy: 0.014522955561941438
Energy: 0.01616300024150376
Energy: 1.6200243460767516
Energy: 0.2189800933895067
Energy: 0.21850837046252902
Energy: 0.21935223977998208
Energy: 0.21844012319995054
Energy: 0.2184898929763174
Energy: 0.2189800933895067
Energy: 1.6201121058499384
Energy: 0.014691134513635018
Energy: 0.21859716821639813
Energy: 0.2182024019195802
Energy: 0.2186292014136546
Energy: 0.21850837046252902
Energy: 0.014691134513635018
Energy: 0.013608952255523754
Energy: 0.21994554489818888
Energy: 0.21895177109754196
Energy: 0.22077583932275527
Energy: 0.21935223977998208
Energy: 0.21859716821639813
Energy: 0.21994554489818888
Energy: 1.6242810026526782
Energy: 0.21843661095213668
Energy: 0.014522955561941438
Energy: 0.21844012319995054
Energy: 0.2182024019195802
Energy: 0.21895177109754196
Energy: 0.21843661095213668
Energy: 0.014292366286868731

minimum gb energy = 0.012947425915819492 eV
minimum distance =  2.73222918153381 Angstroms
sigma value = 1


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

Energy: 2.8494306060038186
Energy: 2.1995605505902676
Energy: 2.153225528280783
Energy: 2.154460948534927
Energy: 2.24588473116625
Energy: 2.2023592714785547
Energy: 2.125054619928489
Energy: 2.3455686662440796
Energy: 2.134005319020232
Energy: 2.1348046745351694
Energy: 2.2342140948917733
Energy: 2.1706672677283922
Energy: 2.1579153529704116
Energy: 2.172043203722789
Energy: 2.2742824419107897
Energy: 2.0718687878411006
Energy: 2.236596115095562
Energy: 2.1538704460506626
Energy: 2.156686147625571
Energy: 2.170116799849649
Energy: 2.253775961780152
Energy: 2.253108237036223
Energy: 2.2296637661381906
Energy: 2.1809941092655882
Energy: 2.155995618544319
Energy: 2.1685711069467803
Energy: 2.326916722816269
Energy: 2.112672893088006
Energy: 2.271636941452854
Energy: 2.1544465875159498
Energy: 2.053561227300229
Energy: 2.313278070931962
Energy: 2.218130384404988
Energy: 2.2181223959798215
Energy: 2.274577187378573
Energy: 2.312506755406408
Energy: 2.0532157791630494
Energy: 2.276607690469044
Energy: 2.206876757666483
Energy: 2.2219593315708575
Energy: 2.2573152475276053
Energy: 2.313848652212342
Energy: 2.1566186860528345
Energy: 2.093724415547974
Energy: 2.2566708074425375
Energy: 2.223269493151238
Energy: 2.208230140583783
Energy: 2.052866478095358
Energy: 2.1216811273304037
Energy: 2.32680678680448
Energy: 2.239525328134281
Energy: 2.446810507197612
Energy: 2.2478166181102446
Energy: 2.200626367014977
Energy: 2.076846077526643
Energy: 2.283942625335709
Energy: 2.25176131909255
Energy: 2.1339384697586166
Energy: 2.252624761556612
Energy: 2.2555948602938223
Energy: 2.0525580501515477
Energy: 2.0929202662788153
Energy: 2.0357993346242353
Energy: 2.1298290932421753
Energy: 2.030063728045863
Energy: 2.0526231409468387
Energy: 2.062066103537045
Energy: 2.2063138669606612
Energy: 2.187497916330839
Energy: 2.0410783537812653
Energy: 2.19011365220451
Energy: 2.054753896703404
Energy: 2.0674460797559346
Energy: 2.1337298477345135
Energy: 2.1880406103885934
Energy: 2.0419460202103337
Energy: 2.191917322145689
Energy: 2.0426018913534962
Energy: 2.047057029154206
Energy: 2.1761586328326463
Energy: 2.1328159834666565
Energy: 2.1300568638675825
Energy: 2.0329330263553147
Energy: 2.04808704588358
Energy: 2.130147876400187
Energy: 2.2465296455786103
Energy: 2.22284950774541
Energy: 2.1326019450183287
Energy: 2.2133283177360394
Energy: 2.253971638597931
Energy: 2.217045500035696
Energy: 2.299875250916756
Energy: 2.2039197044793895
Energy: 2.2506532493764633
Energy: 2.202729548676201
Energy: 2.2212727628110773
Energy: 2.0453417126260667
Energy: 2.1796270882506885
Energy: 2.240338838941615
Energy: 2.211752778128101
Energy: 2.283542355160424
Energy: 2.0450079803625996
Energy: 2.048740116172045
Energy: 2.2634726271785848
Energy: 2.2777843643086997
Energy: 2.2713469470100542
Energy: 2.2687622191351093
Energy: 2.233435732959633
Energy: 2.0511721630401665
Energy: 2.2468332226509835
Energy: 2.2247181702747363
Energy: 2.2101410203372076
Energy: 2.2618785594273447
Energy: 2.2336970993748
Energy: 2.1630543163167135
Energy: 2.2146571645023356
Energy: 2.2965908697686648
Energy: 2.2554396214530943
Energy: 2.2759012572374324
Energy: 2.161447592885182
Energy: 2.1535554776671963
Energy: 2.2071284411902297
Energy: 2.267156944680219
Energy: 2.256263278995555
Energy: 2.267101167298446
Energy: 2.2037069099194215
Energy: 2.155257418714214
Energy: 2.2065734616572112
Energy: 2.2692981625532727
Energy: 2.1244542840968403
Energy: 2.2693584975243395
Energy: 2.153867172340033
Energy: 2.1101819744751684
Energy: 2.3802184289954273
Energy: 2.1355546922282853
Energy: 2.1455778594043005
Energy: 2.232541518845842
Energy: 2.170875124684541

minimum gb energy = 2.030063728045863 eV
minimum distance =  2.37026058438719 Angstroms
sigma value = 33


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

Energy: 3.643470050127268
Energy: 2.2788819432395178
Energy: 2.2312820787359513
Energy: 2.234243804763298
Energy: 2.2960133889171024
Energy: 2.2927807710769246
Energy: 2.1748618808615205
Energy: 2.562727546142178
Energy: 2.212707429995273
Energy: 2.210929778506826
Energy: 2.2721770391399403
Energy: 2.2038947993537583
Energy: 2.1838959301418694
Energy: 2.2195200293746034
Energy: 2.3142146627719464
Energy: 2.2102048572930055
Energy: 2.3057841414756783
Energy: 2.1841704885758984
Energy: 2.1805001396384487
Energy: 2.2872732418183834
Energy: 2.300831314461329
Energy: 2.3759578271129747
Energy: 2.299383554199287
Energy: 2.195047182580804
Energy: 2.1755558964275052
Energy: 2.1915946327767584
Energy: 2.2705776099926527
Energy: 2.230207917417174
Energy: 2.46758478021476
Energy: 2.17336768741198
Energy: 2.249354303355701
Energy: 2.3307388070609703
Energy: 2.346816314988774
Energy: 2.249138557125296
Energy: 2.3136380006919635
Energy: 2.340664650792315
Energy: 2.243876543453195
Energy: 2.3317123815934186
Energy: 2.349243281454583
Energy: 2.337349902574667
Energy: 2.3060459737064085
Energy: 2.3406786582233017
Energy: 2.2437662331138535
Energy: 2.2429377299051083
Energy: 2.2464141324277076
Energy: 2.1769228041498
Energy: 2.3442490865310175
Energy: 2.230456364179922
Energy: 2.2716311508072238
Energy: 2.308207540047429
Energy: 2.244107974214452
Energy: 2.1801575743783754
Energy: 2.2992345254395756
Energy: 2.495567475277729
Energy: 2.3178079901239044
Energy: 2.2972577195465127
Energy: 2.1788169364875345
Energy: 2.184894815142301
Energy: 2.296765410767326
Energy: 2.3012970186225767
Energy: 2.217539414246943
Energy: 2.264062185709272
Energy: 2.235277068766401
Energy: 2.1804463122828626
Energy: 2.299909637368784
Energy: 2.2473489016747434
Energy: 2.2200948283404722
Energy: 2.2390915063090855
Energy: 2.2770214634091883
Energy: 2.196281150004449
Energy: 2.2698907834999638
Energy: 2.217660671580429
Energy: 2.2138052418248946
Energy: 2.2312184389907763
Energy: 2.2785011535785737
Energy: 2.199387084265339
Energy: 2.2679527222356355
Energy: 2.21418240997092
Energy: 2.2154226354684003
Energy: 2.1995969488080793
Energy: 2.237567784272508
Energy: 2.1775757776215143
Energy: 2.2998632875322773
Energy: 2.2017516545209244
Energy: 2.2347331529127237
Energy: 2.31541390417862
Energy: 2.269760417268928
Energy: 2.1809237327186395
Energy: 2.308226397442609
Energy: 2.3138158724273254
Energy: 2.16298378139058
Energy: 2.3260380405652055
Energy: 2.265515742734
Energy: 2.248235364534254
Energy: 2.3392581954855083
Energy: 2.3187280154158874
Energy: 2.240583621628097
Energy: 2.1963717781567005
Energy: 2.175548005292402
Energy: 2.1767605235926766
Energy: 2.3018924244829297
Energy: 2.175466358143593
Energy: 2.206163841549716
Energy: 2.343697944647752
Energy: 2.314198320858085
Energy: 2.422484346523445
Energy: 2.291968495878038
Energy: 2.3346084287023117
Energy: 2.2017734700097886
Energy: 2.36628725479577
Energy: 2.310296761987096
Energy: 2.1859515223990194
Energy: 2.2904006860413397
Energy: 2.3218996941968584
Energy: 2.164910224460217
Energy: 2.211011042247287
Energy: 2.2862633875078817
Energy: 2.1754231232221017
Energy: 2.4214336930466853
Energy: 2.164950681777403
Energy: 2.1612824613630095
Energy: 2.2588458883230587
Energy: 2.279260442601317
Energy: 2.2896711539704184
Energy: 2.2768548914306392
Energy: 2.1646273915388785
Energy: 2.1728793237509234
Energy: 2.286443675165346
Energy: 2.2930684506211745
Energy: 2.15339312712454
Energy: 2.2891695240626406
Energy: 2.1745311714555258
Energy: 2.1734537690273363
Energy: 2.3018982696181824
Energy: 2.176863337601921
Energy: 2.174869088829971
Energy: 2.2961004586824645
Energy: 2.1867593166130845
Energy: 2.218114373406943
Energy: 2.3181245483279205
Energy: 2.2177100931660942
Energy: 2.2348922432935985
Energy: 2.289324818633967
Energy: 2.3156968402883202
Energy: 2.3115438052503934
Energy: 2.5523766227441027
Energy: 2.2152436709181025
Energy: 2.1738941436210535
Energy: 2.3909274121488258
Energy: 2.186602758788158
Energy: 2.1965637254164614
Energy: 2.2926769260336037
Energy: 2.337307978226884
Energy: 2.2557270701929473
Energy: 2.333654400445427
Energy: 2.1730482066664423
Energy: 2.24348298648321
Energy: 2.314307873963096
Energy: 2.3214298423017548
Energy: 2.3671700458321245
Energy: 2.3184829326655785
Energy: 2.362824546422466
Energy: 2.1771402327318885
Energy: 2.365857775307434
Energy: 2.219285786757304
Energy: 2.20713407308599
Energy: 2.3224212899269134
Energy: 2.3114708983575873
Energy: 2.1911756590820946
Energy: 2.2293789443056617
Energy: 2.4221312649942095
Energy: 2.269961078432421
Energy: 2.305139632145294
Energy: 2.188399214328164
Energy: 2.195915168633884
Energy: 2.2384996170416604
Energy: 2.295593962515118
Energy: 2.3303157987535217
Energy: 2.2975683214563385
Energy: 2.189838696946238
Energy: 2.1907794443756012
Energy: 2.238229372642655
Energy: 2.244812134523015
Energy: 2.2108586193012787
Energy: 2.343894635656492
Energy: 2.192788709207647
Energy: 2.2596772278107813
Energy: 2.2679142336412417
Energy: 2.207001574635983
Energy: 2.217497956675408
Energy: 2.2675271525746683
Energy: 2.3398341699530434
Energy: 2.192896539696862
Energy: 2.269953729543381
Energy: 2.2344405855129246
Energy: 2.208865816438323
Energy: 2.266894022597884
Energy: 2.292178377792214
Energy: 2.192710763151592
Energy: 2.2871107649287628
Energy: 2.2053163102747404
Energy: 2.2024380553270144
Energy: 2.1952119076836034
Energy: 2.2582482853385515
Energy: 2.194678549938568
Energy: 2.2737661305169596
Energy: 2.3249373626821837
Energy: 2.2835964021756228
Energy: 2.321604717239565
Energy: 2.269362854488274
Energy: 2.1939445846733783
Energy: 2.278760729811091
Energy: 2.3267792263940157
Energy: 2.237359677692517
Energy: 2.3189356844800826
Energy: 2.279676242993546
Energy: 2.2381009104447585
Energy: 2.2391390263162063
Energy: 2.192911480318867
Energy: 2.2350736276360132
Energy: 2.5029772585492047
Energy: 2.240088224181648
Energy: 2.1840102109652078
Energy: 2.2790507836836333
Energy: 2.329856368337887
Energy: 2.255187737121045
Energy: 2.3288586949606804
Energy: 2.28341680965725
Energy: 2.1857911468411073
Energy: 2.284225243847641
Energy: 2.3268022497182366
Energy: 2.2108947838398585
Energy: 2.3198922654673475
Energy: 2.2773580260928106
Energy: 2.1827341744241227
Energy: 2.285086717507988
Energy: 2.24095299492929
Energy: 2.201451839282582
Energy: 2.1951582919552837
Energy: 2.204392491251612
Energy: 2.27006608550536
Energy: 2.2693713893011864
Energy: 2.205682655520393
Energy: 2.206510215997337
Energy: 2.268943991878679
Energy: 2.292349402687307

minimum gb energy = 2.15339312712454 eV
minimum distance =  2.3825564374382 Angstroms
sigma value = 51


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

Energy: 3.310504087627899
Energy: 2.289660069093141
Energy: 2.268685703622805
Energy: 2.2662319890305094
Energy: 2.319604875591185
Energy: 2.290029052057024
Energy: 2.2522876629340898
Energy: 2.370433018583371
Energy: 2.233696436068026
Energy: 2.225260199227169
Energy: 2.2934009524975485
Energy: 2.3006787009256775
Energy: 2.2281747786694592
Energy: 2.289497067501984
Energy: 2.3089228289998345
Energy: 2.2649078990357925
Energy: 2.287559126341738
Energy: 2.2309657474311866
Energy: 2.2442451587042753
Energy: 2.2891676021507994
Energy: 2.2908822018511574
Energy: 2.211227874080744
Energy: 2.288086179312581
Energy: 2.288258081101787
Energy: 2.24027666034389
Energy: 2.3017537832606827
Energy: 2.3561307132923766
Energy: 2.267960222124114
Energy: 2.3190692043608094
Energy: 2.2407412035797325
Energy: 2.2386106695623393
Energy: 2.3136959536563064
Energy: 2.35883804839512
Energy: 2.224403373779615
Energy: 2.311301002357847
Energy: 2.3555510718701127
Energy: 2.236005432373048
Energy: 2.314396207232957
Energy: 2.362986756332781
Energy: 2.286191935580673
Energy: 2.3167032031527275
Energy: 2.312351190486965
Energy: 2.2261033290669077
Energy: 2.293123146680842
Energy: 2.2232831273062073
Energy: 2.2278567767078616
Energy: 2.336462589333783
Energy: 2.294128355732619
Energy: 2.2149196383485465
Energy: 2.2890266950973692
Energy: 2.2412715991861307
Energy: 2.2361395325204763
Energy: 2.294329040764513
Energy: 2.2976129774566694
Energy: 2.216422739851059
Energy: 2.295972390252355
Energy: 2.2947356515260604
Energy: 2.224221399871832
Energy: 2.287680336861932
Energy: 2.2915481605836305
Energy: 2.2297613415627975
Energy: 2.300654348973421
Energy: 2.2651609802455197
Energy: 2.2224040787994226
Energy: 2.3002137960047686
Energy: 2.2971751123053816
Energy: 2.2257647105035034
Energy: 2.2884653637617505
Energy: 2.293499979916136
Energy: 2.215543313640538
Energy: 2.290554294662882
Energy: 2.2363047282952055
Energy: 2.25194167569565
Energy: 2.288751848788876
Energy: 2.293806998839602
Energy: 2.214539661873233
Energy: 2.294203705151412
Energy: 2.294672639022574
Energy: 2.2309357681062285
Energy: 2.2359918730724386
Energy: 2.278662957541063
Energy: 2.2687876327078387
Energy: 2.2936279605992618
Energy: 2.2345379373287453
Energy: 2.2344596953937645
Energy: 2.3134137259076595
Energy: 2.377884312817201
Energy: 2.211181391035119
Energy: 2.3166442395997446
Energy: 2.3104314153092997
Energy: 2.226688291379269
Energy: 2.3196914808538263
Energy: 2.3608116835134543
Energy: 2.231324406271994
Energy: 2.3132347907908
Energy: 2.3517472372079795
Energy: 2.2626842474386364
Energy: 2.300927046505789
Energy: 2.2477511543408353
Energy: 2.23327154451883
Energy: 2.23641120560883
Energy: 2.3004652853668284
Energy: 2.221656988459175
Energy: 2.2903183017063085
Energy: 2.244513795991041
Energy: 2.25583502358187
Energy: 2.2890710671609216
Energy: 2.293189899492416

minimum gb energy = 2.211181391035119 eV
minimum distance =  2.40124606669585 Angstroms
sigma value = 19


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

Energy: 3.1207790911054736
Energy: 2.379994572271744
Energy: 2.2439705602761584
Energy: 2.350021395077442
Energy: 2.423339415343469
Energy: 2.382125554713876
Energy: 2.2013154707530282
Energy: 2.459853789514747
Energy: 2.2115602780065906
Energy: 2.239190172386014
Energy: 2.3087035222397936
Energy: 2.3346225747181766
Energy: 2.2443280480283945
Energy: 2.3576498924676565
Energy: 2.3737475600370015
Energy: 2.2135442886310783
Energy: 2.3700564791148433
Energy: 2.3565136722620728
Energy: 2.236930230144156
Energy: 2.375377465902359
Energy: 2.366142029328458
Energy: 2.2292718009370702
Energy: 2.3680092384904885
Energy: 2.3819169677899454
Energy: 2.308944599792298
Energy: 2.3582864381653548
Energy: 2.2127399793851037
Energy: 2.211999311986999
Energy: 2.4525725931136133
Energy: 2.320757988609993
Energy: 2.3217716358266465
Energy: 2.382932224259021
Energy: 2.3084458749777963
Energy: 2.2124032136796656
Energy: 2.4597810760997616
Energy: 2.357497822541708
Energy: 2.240301421852196
Energy: 2.3808166342950385
Energy: 2.3457053773849825
Energy: 2.3473035098880137
Energy: 2.3811418591461924
Energy: 2.355729852299526
Energy: 2.2376575619366115
Energy: 2.3793424878356815
Energy: 2.307365435395535
Energy: 2.2141544935176896
Energy: 2.46419096042463
Energy: 2.2406293201495115
Energy: 2.205092258872381
Energy: 2.311267474303523
Energy: 2.2458573497834253
Energy: 2.23818508115074
Energy: 2.31050915440241
Energy: 2.4954876791184644
Energy: 2.206340138653122
Energy: 2.3107337141787414
Energy: 2.3312433364533947
Energy: 2.303779425631718
Energy: 2.330509672387231
Energy: 2.363044148556969
Energy: 2.238153982346719
Energy: 2.380104582911289
Energy: 2.2421054169299723
Energy: 2.2406021066626214
Energy: 2.308060302460887
Energy: 2.3324435546281936
Energy: 2.2434444568217895
Energy: 2.3851924181905364
Energy: 2.3824862595377594
Energy: 2.239837187836649
Energy: 2.3655468572353198
Energy: 2.2419709053116734
Energy: 2.5046277183997487
Energy: 2.389560936784189
Energy: 2.382188977091366
Energy: 2.2419899981106077
Energy: 2.369687908724524
Energy: 2.394360662597346
Energy: 2.2376100849171645
Energy: 2.4247941861460705
Energy: 2.334526531328649
Energy: 2.238617683388789
Energy: 2.375247248438556
Energy: 2.2402522375012355
Energy: 2.2787544222083937
Energy: 2.3302717356865537
Energy: 2.3093667248665395
Energy: 2.204389480108652
Energy: 2.3083877784268703
Energy: 2.274923831398817
Energy: 2.245580957014061
Energy: 2.2459648634147356
Energy: 2.3532443837470423
Energy: 2.1989373077146346
Energy: 2.3101060227503205
Energy: 2.2478355843739983
Energy: 2.211035615579911
Energy: 2.2101223830406713
Energy: 2.333609304391042
Energy: 2.2429174331924777
Energy: 2.370515152891223
Energy: 2.211651364078322
Energy: 2.2303438496893837
Energy: 2.3668226914503845
Energy: 2.365186998699566
Energy: 2.245956039361786
Energy: 2.375633311878341
Energy: 2.368028855286451
Energy: 2.2304289048724426
Energy: 2.3678410190603865
Energy: 2.3892800602004627
Energy: 2.316236398416648
Energy: 2.383123402116175
Energy: 2.372527170727067
Energy: 2.2106810711363916
Energy: 2.3084191351379553
Energy: 2.304082940038611
Energy: 2.2980417020451194
Energy: 2.402096563829812
Energy: 2.2129510930680687
Energy: 2.202612092446004
Energy: 2.372480503566929
Energy: 2.3831336770270846
Energy: 2.3226982137940126
Energy: 2.3731111304538928
Energy: 2.4615822335340973
Energy: 2.2042257054383443
Energy: 2.366008415547455
Energy: 2.362765663418601
Energy: 2.2410571258850656
Energy: 2.3845249786660383
Energy: 2.350285778893885
Energy: 2.2135500347829713
Energy: 2.307836493618196
Energy: 2.37941163904785
Energy: 2.242668478197137
Energy: 2.369882467573835
Energy: 2.2118727763337587
Energy: 2.2405892846371267
Energy: 2.3302560606655103
Energy: 2.3629490859208646
Energy: 2.2074595021490393
Energy: 2.3096429761089636
Energy: 2.2448425633478686
Energy: 2.289148381435512
Energy: 2.3291474339751423
Energy: 2.308827284934971
Energy: 2.2053846700976174
Energy: 2.310020727723428
Energy: 2.3324622892369407
Energy: 2.2428774117414614
Energy: 2.277279836950101
Energy: 2.3339442094709435
Energy: 2.2396855333290904
Energy: 2.3807173386619422
Energy: 2.240940121232476
Energy: 2.2371745074881986
Energy: 2.3689558182682777
Energy: 2.384020729420042
Energy: 2.2811263590836286
Energy: 2.3847549465909816
Energy: 2.3849433474550357
Energy: 2.2823220313563524
Energy: 2.3862484044501726
Energy: 2.3824666244207195
Energy: 2.33717023727191
Energy: 2.3671913399166296
Energy: 2.3361940731763218
Energy: 2.2423261472085088
Energy: 2.330608150875928
Energy: 2.241120240582462
Energy: 2.240154249996392
Energy: 2.277479930315865
Energy: 2.3357911949824786
Energy: 2.197722030760395
Energy: 2.308868060006036
Energy: 2.3306570091219823
Energy: 2.299034136704337
Energy: 2.3294428148840973
Energy: 2.353261464805662

minimum gb energy = 2.197722030760395 eV
minimum distance =  2.38076109039058 Angstroms
sigma value = 27


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

Energy: 3.056928688398437
Energy: 2.3151199971547327
Energy: 2.045488861721989
Energy: 2.0185317500112414
Energy: 2.1552120099225966
Energy: 2.3161713028714175
Energy: 2.2512154213667417
Energy: 2.6962214042310686
Energy: 2.2114489693694654
Energy: 2.0073985849126283
Energy: 2.2072253511792432
Energy: 2.4861442371412856
Energy: 2.3107682083350616
Energy: 2.1560130346932
Energy: 2.5635795868991313
Energy: 2.015109128490584
Energy: 2.563453014572848
Energy: 2.1552007840725573
Energy: 2.248047198342177
Energy: 2.4969690868957115
Energy: 2.563316111656499
Energy: 2.0055046242661074
Energy: 2.5628451270077868
Energy: 2.478544380429653
Energy: 2.4435585850705808
Energy: 2.1633538208887177
Energy: 2.20712692602641
Energy: 2.007306313767091
Energy: 2.1511104245716326
Energy: 2.2230350869283564
Energy: 2.3957581752187624
Energy: 2.1728948612079333
Energy: 2.342824852023776
Energy: 2.008076485321166
Energy: 2.3699517332989926
Energy: 2.153020366561234
Energy: 2.305093807599001
Energy: 2.2698928712979978
Energy: 2.1724952958645964
Energy: 2.5790404915270244
Energy: 2.179019924014669
Energy: 2.1591740302327267
Energy: 2.301849417978881
Energy: 2.2765027174555748
Energy: 2.2082135881560347
Energy: 2.0078463535912534
Energy: 2.3607552440279793
Energy: 2.1523563879161047
Energy: 2.306141044184732
Energy: 2.150857786832362
Energy: 2.0077196711677785
Energy: 2.0084223895336923
Energy: 2.010991993350896
Energy: 2.2753388274415896
Energy: 2.2180308377174747
Energy: 2.1520961829759258
Energy: 2.534494722822075
Energy: 2.0191248681946794
Energy: 2.544456316128992
Energy: 2.152628721768275
Energy: 2.303978058209698
Energy: 2.6673576579860465
Energy: 2.5375594580750054
Energy: 2.0185871703728635
Energy: 2.6776971337803035
Energy: 2.149903339036496
Energy: 2.250563429160073
Energy: 2.6958813309501397
Energy: 2.204480760752728
Energy: 2.0440618215190365
Energy: 2.156698235075352
Energy: 2.660594018494029

minimum gb energy = 2.0055046242661074 eV
minimum distance =  2.40730778184393 Angstroms
sigma value = 9


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

Energy: 2.381984756629662
Energy: 2.3183168868438253
Energy: 2.222256288077772
Energy: 2.399675191215915
Energy: 2.2613139705444345
Energy: 2.3771284307595213
Energy: 2.182984379408107
Energy: 2.4135158835433894
Energy: 2.2163565441941184
Energy: 2.218550183781627
Energy: 2.2556229476831926
Energy: 2.34793557789764
Energy: 2.2081940253727588
Energy: 2.493825660866905
Energy: 2.5071938907786295
Energy: 2.21673895704679
Energy: 2.4755849021293326
Energy: 2.249373975786861
Energy: 2.189892298348239
Energy: 2.4816094146674867
Energy: 2.5112214408531823
Energy: 2.2168465462728797
Energy: 2.475158952385017
Energy: 2.5144320737490546
Energy: 2.220111018121787
Energy: 2.5174379992086675
Energy: 2.4964258695572434
Energy: 2.208516125058677
Energy: 2.5015232503854476
Energy: 2.2528239776861585
Energy: 2.2145760093790696
Energy: 2.25562883737231
Energy: 2.501858949914454
Energy: 2.202893233946633
Energy: 2.388312341793807
Energy: 2.217323990193512
Energy: 2.213862009820485
Energy: 2.2536265550111163
Energy: 2.3337688414498334
Energy: 2.5973158514364174
Energy: 2.253982244023963
Energy: 2.219003951766673
Energy: 2.199678507620221
Energy: 2.255643345006486
Energy: 2.4900005120776854
Energy: 2.2035701295342327
Energy: 2.3880259176046463
Energy: 2.1985851447815623
Energy: 2.20066285556925
Energy: 2.450632143649399
Energy: 2.4966116615350997
Energy: 2.2075281907077144
Energy: 2.5266487132567867
Energy: 2.1981370628899763
Energy: 2.198956871610207
Energy: 2.423317082239821
Energy: 2.423838434842615
Energy: 2.2305206369389436
Energy: 2.430503218759542
Energy: 2.4428998603614125
Energy: 2.184304532877312
Energy: 2.4412067770123853
Energy: 2.4261557379035583
Energy: 2.230527235387391
Energy: 2.4297734325696747
Energy: 2.179692696839223
Energy: 2.184962327921534
Energy: 2.3769095853266253
Energy: 2.2072604523261834
Energy: 2.2134996843550105
Energy: 2.339455023009393
Energy: 2.182144629182175
Energy: 2.207046049750193
Energy: 2.343446581695139
Energy: 2.3179000677488117
Energy: 2.216496325481788
Energy: 2.3541482769044686
Energy: 2.4234483430952025
Energy: 2.182814146622352
Energy: 2.4574000218980974
Energy: 2.3092228512931854
Energy: 2.2032185255413697
Energy: 2.3478316973158577
Energy: 2.182720652393259
Energy: 2.1860505201908422
Energy: 2.525563706616251
Energy: 2.204327368071795
Energy: 2.2055014555650234
Energy: 2.3406358839731727
Energy: 2.179606985743989
Energy: 2.2309030154347163
Energy: 2.339986462442322
Energy: 2.3453817193582074
Energy: 2.2048316400315535
Energy: 2.3393222697293563
Energy: 2.3585645563104802
Energy: 2.1782783137420254
Energy: 2.3360843284532096
Energy: 2.2030673436579558
Energy: 2.198137988825081
Energy: 2.3659907006906344
Energy: 2.359571665985856
Energy: 2.17952005996594
Energy: 2.330341052267504
Energy: 2.340169472970145
Energy: 2.2079426422663437
Energy: 2.4457755261359124
Energy: 2.178099004225066
Energy: 2.188877269154675
Energy: 2.492358314911509
Energy: 2.4294288404009414
Energy: 2.250806172217604
Energy: 2.4354534824922185
Energy: 2.3547560278174537
Energy: 2.201497689859846
Energy: 2.423007585904708
Energy: 2.44728059796405
Energy: 2.2101928026534097
Energy: 2.4446145349266244
Energy: 2.378159003720239
Energy: 2.199542003547571
Energy: 2.1994718152700083
Energy: 2.348596735223889
Energy: 2.2014141893871018
Energy: 2.5222938071213097
Energy: 2.1986302375008995
Energy: 2.198051457619831
Energy: 2.2549078564758704
Energy: 2.3123703536388733
Energy: 2.175073772369549
Energy: 2.2573329943102936
Energy: 2.1979905569533034
Energy: 2.205177207312877
Energy: 2.2140291598711137
Energy: 2.387543372672932
Energy: 2.1748739308052074
Energy: 2.2534470878336896
Energy: 2.206522228074873
Energy: 2.217007326495082
Energy: 2.3857785502978985
Energy: 2.3495393477731996
Energy: 2.2094003800379154
Energy: 2.4986427710830443
Energy: 2.215064457324976
Energy: 2.2180647336645563
Energy: 2.4851498606229296
Energy: 2.50412520221464
Energy: 2.2177340221488966
Energy: 2.4824726569779756
Energy: 2.481044547923436
Energy: 2.2073047363798466
Energy: 2.4963345310085074
Energy: 2.487942327290862
Energy: 2.1900612722587143
Energy: 2.4739486224885114
Energy: 2.249270581465021
Energy: 2.2075177190701343
Energy: 2.492248438661423
Energy: 2.216692698949597
Energy: 2.223230138599729
Energy: 2.254007651409698
Energy: 2.2027609187319177
Energy: 2.204788881239481
Energy: 2.261794414280945
Energy: 2.2030520765036994
Energy: 2.204720467267224
Energy: 2.254117600081845
Energy: 2.3358238988705953
Energy: 2.178460145257416
Energy: 2.253995775860153
Energy: 2.262655604855384
Energy: 2.2079020786360544
Energy: 2.256696561458362
Energy: 2.377054572209754
Energy: 2.206729170759572
Energy: 2.543125580771783
Energy: 2.198857286184374
Energy: 2.203100454009116
Energy: 2.4375397264182186
Energy: 2.20509842875526
Energy: 2.230123644274494
Energy: 2.442914845733353
Energy: 2.436656996318202
Energy: 2.197405467158931
Energy: 2.4200885832266117
Energy: 2.3759822524703544
Energy: 2.2321919842543374
Energy: 2.4282016799460617
Energy: 2.181545906093849
Energy: 2.182958485386584
Energy: 2.451805172934124
Energy: 2.4727216185862737
Energy: 2.208880419817793
Energy: 2.3503249133811965
Energy: 2.1792681710582937
Energy: 2.1815264386161015
Energy: 2.4432671480401593
Energy: 2.2050542477798802
Energy: 2.203437163467056
Energy: 2.322480475187735
Energy: 2.3416518306448486
Energy: 2.205918291107861
Energy: 2.3387543059620515
Energy: 2.2021373173408723
Energy: 2.20311811413993
Energy: 2.345557177136131
Energy: 2.335494848266653
Energy: 2.2046682088926004
Energy: 2.337325449708333
Energy: 2.2970332984686275
Energy: 2.2047641036721135
Energy: 2.2058878806224715
Energy: 2.330111597595811
Energy: 2.181079147054916
Energy: 2.5553447969968803
Energy: 2.205335922479221
Energy: 2.20093073070308
Energy: 2.341989836739189
Energy: 2.3374841030309343
Energy: 2.177811107228356
Energy: 2.3372670676983005
Energy: 2.3603377303424504
Energy: 2.205838374850779
Energy: 2.203191259670704
Energy: 2.3615438026979554
Energy: 2.2299096008014554
Energy: 2.338148631097556
Energy: 2.2018589388399645
Energy: 2.212946990584444
Energy: 2.2492138248409517
Energy: 2.329561150645452
Energy: 2.182572281904127
Energy: 2.4337946103930905
Energy: 2.207402243541588
Energy: 2.21359609063652
Energy: 2.4247477971644136
Energy: 2.3338048082739125
Energy: 2.18252585471952
Energy: 2.455870040287469
Energy: 2.4418314696112327
Energy: 2.208029108413437
Energy: 2.4214414131563218
Energy: 2.4553135823247487
Energy: 2.2006067448194333
Energy: 2.424283394925581
Energy: 2.4477796571954715
Energy: 2.2064428885666403
Energy: 2.4967562006168365
Energy: 2.200835419877052
Energy: 2.206578475077582
Energy: 2.3734652060725696
Energy: 2.260630035334864
Energy: 2.1743819907744237
Energy: 2.2608109776561984
Energy: 2.2549134128940507
Energy: 2.1965304941907626
Energy: 2.256581198768137
Energy: 2.3054441759850164

minimum gb energy = 2.1743819907744237 eV
minimum distance =  2.38986279082531 Angstroms
sigma value = 57


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

Energy: 3.5928696071442583
Energy: 2.4194311477612676
Energy: 2.162597137077305
Energy: 2.362520313601153
Energy: 2.3891906150203766
Energy: 2.3999131213140843
Energy: 2.319049879396874
Energy: 2.556248279227321
Energy: 2.2763099061085192
Energy: 2.277847299315028
Energy: 2.3884551240534866
Energy: 2.382797212450605
Energy: 2.3991021467398626
Energy: 2.3828206731247548
Energy: 2.554123803163591
Energy: 2.27185806587501
Energy: 2.553957158430301
Energy: 2.3923488529234005
Energy: 2.1384605928460387
Energy: 2.568378759536022
Energy: 2.55834636509146
Energy: 2.2733859167233796
Energy: 2.5597069965318413
Energy: 2.137844219357998
Energy: 2.1408559955345443
Energy: 2.264627912208943
Energy: 2.2316142587394676
Energy: 2.230292789416342
Energy: 2.558794147355386
Energy: 2.2687638098042027
Energy: 2.2726389344221234
Energy: 2.2674593425127396
Energy: 2.56254384554786
Energy: 2.2326931159411423
Energy: 2.285760661305575
Energy: 2.276357916645169
Energy: 2.235289012216538
Energy: 2.242935733348731
Energy: 2.2831967385055507
Energy: 2.2352780184855248
Energy: 2.2849887883460487
Energy: 2.239158512030171
Energy: 2.2290167080552297
Energy: 2.234761616140247
Energy: 2.5598239393567583
Energy: 2.2940156252928343
Energy: 2.285388686612109
Energy: 2.233843676149899
Energy: 2.2381117875579926
Energy: 2.2159754360342423
Energy: 2.3973031531242293
Energy: 2.271431336307478
Energy: 2.476050834511305
Energy: 2.239737278162877
Energy: 2.1607596062096492
Energy: 2.4559528057175926
Energy: 2.4609496253458065
Energy: 2.2718036571194555
Energy: 2.520053511103989
Energy: 2.1603926294633133
Energy: 2.2862349602534544
Energy: 2.3661333560914968
Energy: 2.543878824683918
Energy: 2.275386936055627
Energy: 2.475290345971692
Energy: 2.2747274426753785
Energy: 2.340140625488511
Energy: 2.491511332603364
Energy: 2.2726022433935906
Energy: 2.271854354448314
Energy: 2.4992366730792757
Energy: 2.3418642998097132
Energy: 2.3436189119078312
Energy: 2.5437836352234515
Energy: 2.3802428793256176
Energy: 2.0473793758517327
Energy: 2.5162045009214458
Energy: 2.5007346908524903
Energy: 2.393611627662924
Energy: 2.50675632298013
Energy: 2.3512180404396243
Energy: 2.1389229751953556
Energy: 2.4874993460195136
Energy: 2.3815568700510785
Energy: 2.3997930556981255
Energy: 2.4790346786189126
Energy: 2.03738823359867
Energy: 2.1118315925489366
Energy: 2.328639628258502
Energy: 2.39323172387384
Energy: 2.2351147576869876
Energy: 2.3726150034346616
Energy: 2.117358860910703
Energy: 2.1193579916479575
Energy: 2.3216083847283127
Energy: 2.4148740635544867
Energy: 2.2320693588316565
Energy: 2.3464459359439833
Energy: 2.2914112611021356
Energy: 2.1612520281894163
Energy: 2.3446427122965217
Energy: 2.4792683727842855
Energy: 2.3930455071061596
Energy: 2.4820001334789494
Energy: 2.1602253151264335
Energy: 2.1594832431205706
Energy: 2.290954448516737
Energy: 2.384086942861831
Energy: 2.3188615844449485
Energy: 2.5594787917256663
Energy: 2.3931014642777217
Energy: 2.159538247171763
Energy: 2.3865779313706157
Energy: 2.5064773378316114

minimum gb energy = 2.03738823359867 eV
minimum distance =  2.38745097876829 Angstroms
sigma value = 11


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

Energy: 2.37756079809032
Energy: 2.345937864749272
Energy: 1.935277597661292
Energy: 2.1454666898087384
Energy: 2.134591343377477
Energy: 2.337646306095834
Energy: 2.475352894666453
Energy: 2.377461493560565
Energy: 2.0375566645936547
Energy: 2.029212706014127
Energy: 2.1371735276779043
Energy: 2.4350756026844373
Energy: 2.304214644052452
Energy: 2.4172134335181754
Energy: 2.3521061225764104
Energy: 2.0436033392809008
Energy: 2.3528046693766536
Energy: 2.2984372960506847
Energy: 2.1207431659174887
Energy: 2.371514417506005
Energy: 2.353359860734384
Energy: 2.044675107934119
Energy: 2.3543449340382265
Energy: 2.390656009622289
Energy: 2.121240005979073
Energy: 2.3696080437202625
Energy: 2.1356740439329807
Energy: 2.315654199762759
Energy: 2.379016186506386
Energy: 2.3772627536762707
Energy: 2.130469385225241
Energy: 2.3797166437350605
Energy: 2.4184506142607427
Energy: 2.309894037767284
Energy: 2.3867395855883733
Energy: 2.297963941911269
Energy: 2.0414776066315112
Energy: 2.1698933600420993
Energy: 2.3802355276062555
Energy: 2.0347355365724256
Energy: 2.379937715126256
Energy: 2.153811548669855
Energy: 1.9203411527641303
Energy: 2.3769939475527
Energy: 2.412117152852113
Energy: 2.310275428874711
Energy: 2.393945454539451
Energy: 2.1594528540027573
Energy: 2.042791558637926
Energy: 2.1431987391286356
Energy: 2.4355598346750886
Energy: 2.4929570263862226
Energy: 2.398648214566662
Energy: 2.042762466152893
Energy: 2.0278555924243427
Energy: 2.142421536656155
Energy: 2.1335033492167748
Energy: 2.2952729586375553
Energy: 2.1319943717130907
Energy: 2.0283856703292766
Energy: 1.9379265451354073
Energy: 2.133751094889087
Energy: 2.1350639454970155
Energy: 2.2974225450506993
Energy: 2.1318263310626366
Energy: 2.136550705449756
Energy: 1.9400278352796332
Energy: 2.134080071053748
Energy: 2.438263068326448
Energy: 2.491357760645988
Energy: 2.331345247305718
Energy: 1.9354975736695748
Energy: 1.9436452920596399
Energy: 2.1416244001208664
Energy: 2.3985534086296583
Energy: 2.4760450534088707
Energy: 2.136199667110005
Energy: 1.9338384576699457
Energy: 2.0310260450837876
Energy: 2.023681400202542
Energy: 2.317075929549949
Energy: 2.1188382420803245
Energy: 2.1347901790737125
Energy: 2.0232765208252146
Energy: 2.0345175324458245
Energy: 2.135133409639515
Energy: 2.4352031825255027
Energy: 2.3047304812616733
Energy: 2.34604224399573
Energy: 2.039278913546294
Energy: 2.045562911081355
Energy: 2.3657517079507615
Energy: 2.313322663468366
Energy: 2.3067183634320094
Energy: 2.3986489315476685
Energy: 2.1580049855970347
Energy: 2.0447276647953214
Energy: 2.3549894808546936
Energy: 2.35828564565328
Energy: 2.1208759460478426
Energy: 2.390452691993278
Energy: 2.1592208666029777
Energy: 2.3119941077707526
Energy: 2.3764366715999663
Energy: 2.42691759770064
Energy: 2.117834627484102
Energy: 2.3891788598340478
Energy: 2.335831206359086
Energy: 2.1364219957007387
Energy: 2.369171532794268
Energy: 2.3055870916920878
Energy: 2.1285293041375124
Energy: 2.377852440513287
Energy: 2.371210632109949
Energy: 2.0368537779405056
Energy: 2.381218797290366
Energy: 2.1685482103929927
Energy: 2.0442375002785513
Energy: 2.3785745087441237
Energy: 2.364526309699837
Energy: 2.3054223204461537
Energy: 2.399468318068083
Energy: 2.154157096504676
Energy: 1.9219157583153117
Energy: 2.3793566522183554
Energy: 2.3964090997418817
Energy: 2.3014562853909166
Energy: 2.392212876459145
Energy: 2.1434807639761204
Energy: 2.035687419311185
Energy: 2.1353002571526387
Energy: 2.2976858452254523
Energy: 2.295744904967909
Energy: 2.13265236733823
Energy: 2.0255872788816633
Energy: 1.9279476500174804
Energy: 2.1334043575226542
Energy: 2.3781709940437703
Energy: 2.296868651317897
Energy: 2.138261458945833
Energy: 2.1366833805255414
Energy: 1.9529780313908642
Energy: 2.134184918773162
Energy: 2.4110975066314273
Energy: 2.3152242595661976
Energy: 2.36645196579016
Energy: 1.9351497252568537
Energy: 1.9416381005547465
Energy: 2.3320534528352774
Energy: 2.4833937766205985
Energy: 2.4780075561500086
Energy: 2.138319741014754
Energy: 1.9369700104102834
Energy: 1.9392891638126555
Energy: 2.133934546905202
Energy: 2.4369085701038755

minimum gb energy = 1.9203411527641303 eV
minimum distance =  2.44645783068068 Angstroms
sigma value = 41


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

Energy: 2.5855778880228777
Energy: 1.7971846913297147
Energy: 1.8119222595224538
Energy: 1.8118554411597505
Energy: 1.8086249245544015
Energy: 2.38572530678709
Energy: 2.2417604944901814
Energy: 2.2176776517845522
Energy: 1.8966612651992407
Energy: 1.8951560020517517
Energy: 1.966740859005422
Energy: 2.27338742314892
Energy: 2.256517429929218
Energy: 2.272323794202333
Energy: 2.153994990186121
Energy: 1.9017470632304172
Energy: 2.147782127663805
Energy: 2.26768301891606
Energy: 2.2453962335992026
Energy: 2.1940708582300985
Energy: 2.1522381134389588
Energy: 1.901450072585902
Energy: 2.2088767558890323
Energy: 2.2487565990663017
Energy: 2.2450324640511923
Energy: 2.1964946513281323
Energy: 2.11061936170509
Energy: 2.1062779599867656
Energy: 2.1966928307402096
Energy: 2.2491730322608867
Energy: 2.255617983203628
Energy: 2.265915258526758
Energy: 2.1903785449876008
Energy: 2.1084244482164216
Energy: 2.249239901089374
Energy: 2.322932990297643
Energy: 2.1069700217896177
Energy: 2.2462625985745595
Energy: 2.299724307785286
Energy: 2.192196144814354
Energy: 2.299799252908231
Energy: 2.1321667076636297
Energy: 1.9700992348339645
Energy: 2.2482302867464186
Energy: 2.193343781772886
Energy: 2.112180415156991
Energy: 2.2854729935802647
Energy: 2.1209878714724604
Energy: 2.10650823513772
Energy: 2.1931544991732563
Energy: 2.271267370481013
Energy: 2.2609171336362937
Energy: 2.2707147321282153
Energy: 2.1324286862513597
Energy: 2.1057146238783067
Energy: 2.1316050679673193
Energy: 2.1944984255991202
Energy: 2.0983892298931575
Energy: 2.2061433476751646
Energy: 2.118304389297286
Energy: 1.8995890307672338
Energy: 2.2039546402292154
Energy: 2.195483637086352
Energy: 2.098630965003431
Energy: 2.20693917791816
Energy: 1.9728861594305984
Energy: 1.9000328885393274
Energy: 1.976342497522671
Energy: 2.272147877790387
Energy: 2.2629476449558914
Energy: 2.212002320207157
Energy: 1.9724593436864124
Energy: 1.8846200652634728
Energy: 1.9694135378413313
Energy: 2.0753979046579856
Energy: 2.244035831985259
Energy: 1.9653882429228795
Energy: 1.8829054386939
Energy: 1.8056499591494626
Energy: 1.9735259255123399
Energy: 2.225695807748608
Energy: 2.265229810608612
Energy: 1.973793217411547
Energy: 1.8087087850009307
Energy: 1.8072132608144624
Energy: 1.9712783795408881
Energy: 2.273604718108844
Energy: 2.2573510023392394
Energy: 1.9804244077445667
Energy: 1.8082758180631453
Energy: 1.8082560187203787
Energy: 1.9713325594110689
Energy: 2.2738991582661265
Energy: 2.2621962485206386
Energy: 2.1442608876810243
Energy: 1.8085350178293351
Energy: 1.8058957057933132
Energy: 1.8081111441064264
Energy: 2.120583568339053
Energy: 2.2340148145076624
Energy: 1.9736210887725378
Energy: 1.80750795584032
Energy: 1.8834245488556975
Energy: 1.8852708310258772
Energy: 2.2794655279429907
Energy: 2.238334553874362
Energy: 1.9668851979554665
Energy: 1.8840063166682464
Energy: 1.9015151251214
Energy: 2.1470656830455908
Energy: 2.2723371794807217
Energy: 2.258672380793972
Energy: 2.2138964178650835
Energy: 1.9958743672217298
Energy: 1.9012266758628666
Energy: 2.1501495900453347
Energy: 2.1968474629171357
Energy: 2.2450380590029013
Energy: 2.1942103474082955
Energy: 1.9688248566105362
Energy: 2.105411032375161
Energy: 2.1841167413104072
Energy: 2.305530009795436
Energy: 2.251213463156053
Energy: 2.1944766765746166
Energy: 2.1121795140604402
Energy: 2.1106374011559796
Energy: 2.192989765898472
Energy: 2.2670087374709844
Energy: 2.259208710281461
Energy: 2.27195436021776
Energy: 2.1172630057684243
Energy: 2.1069969058502784
Energy: 2.2979342247076993
Energy: 2.132289565682949
Energy: 2.1088509775022675
Energy: 2.27313966675115
Energy: 2.251929423037017
Energy: 2.108937893054873
Energy: 2.2479750883818843
Energy: 2.2501574576863583
Energy: 1.9675738020698341
Energy: 2.27560751758262
Energy: 2.190625567294041
Energy: 2.2595080105240486
Energy: 2.2740478238510846
Energy: 2.1918359832067935
Energy: 2.1074238048351863
Energy: 2.250516103468344
Energy: 2.2694337600270686
Energy: 2.097950087929773
Energy: 2.195585628331453
Energy: 2.117915151082076
Energy: 2.1089527974826496
Energy: 2.2100954832893374
Energy: 2.272872298838287
Energy: 2.0979584453495463
Energy: 2.195883931130165
Energy: 1.9766771354672739
Energy: 1.9013834718390314
Energy: 2.208567106271687
Energy: 2.1968589951055204
Energy: 2.2574694560969677
Energy: 2.214963984789451
Energy: 1.973713696825165
Energy: 1.898905079678362
Energy: 2.207261013926127
Energy: 2.2726702341189324
Energy: 2.2539666719015763
Energy: 2.2088880151795025
Energy: 1.9666031278408111
Energy: 1.8967750986995215
Energy: 1.9665138728949882
Energy: 2.273807759882582
Energy: 2.242289425951251
Energy: 1.9741375814969535
Energy: 1.8057383016029558
Energy: 1.8072561016447326
Energy: 1.9745436595350767
Energy: 2.194485552183948
Energy: 2.25504521358536
Energy: 1.971400483805623
Energy: 1.9736539015788848
Energy: 1.810184584643298
Energy: 1.974901505783881
Energy: 2.2741162935666237
Energy: 2.2565002675125374
Energy: 2.214885483251395
Energy: 1.806877768683098
Energy: 1.8114339268564166
Energy: 2.1379506243479995
Energy: 2.2721809492150338
Energy: 2.23341946905028
Energy: 1.9680211027620143
Energy: 1.8074173350363747
Energy: 1.811182424253772
Energy: 1.972469465578781
Energy: 2.125608923429591

minimum gb energy = 1.7971846913297147 eV
minimum distance =  2.38670973179286 Angstroms
sigma value = 33


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

Energy: 2.421875967784192
Energy: 1.8977036266081708
Energy: 1.6435213182238695
Energy: 1.860096608441557
Energy: 1.6415287359597326
Energy: 1.9791515956343726
Energy: 2.4704823919821672
Energy: 2.0031186910845773
Energy: 1.7000473587673453
Energy: 1.7025200941020513
Energy: 1.749479534298458
Energy: 2.001291694946078
Energy: 2.482772253204702
Energy: 1.9814501412086025
Energy: 1.7629433698490633
Energy: 1.7216373015121906
Energy: 1.9146356313209139
Energy: 1.9589374971515097
Energy: 2.179869856070139
Energy: 1.921300722577749
Energy: 1.7580325621228463
Energy: 1.7453515688760304
Energy: 1.8111579105055007
Energy: 1.978702519895208
Energy: 2.178891868976097
Energy: 1.9240003055694297
Energy: 1.840987634871368
Energy: 1.8417800740728192
Energy: 1.9099216322566976
Energy: 1.981497052464847
Energy: 2.4851288642203824
Energy: 2.021587773701198
Energy: 1.9227451011103918
Energy: 1.8411739938506078
Energy: 1.9802430340576505
Energy: 2.0223135705509656
Energy: 2.335551003408611
Energy: 2.03723914807687
Energy: 2.0291962986896164
Energy: 1.862311800380019
Energy: 2.0209328785814398
Energy: 2.0563392993711895
Energy: 1.9287083535740412
Energy: 2.037562448627508
Energy: 1.953328432834602
Energy: 1.8434035404782463
Energy: 2.0082234093488753
Energy: 2.077929007345102
Energy: 2.332142231446225
Energy: 2.0550477400318012
Energy: 2.0103287218597425
Energy: 2.059526346817363
Energy: 2.027147751440139
Energy: 2.059734332346894
Energy: 2.1975278727684686
Energy: 2.061625537640954
Energy: 2.0720697754884174
Energy: 2.018675820475525
Energy: 2.0842627583421915
Energy: 2.1116739600617405
Energy: 1.9297160344526996
Energy: 2.083269849283491
Energy: 2.0803151169412644
Energy: 2.059967046530349
Energy: 2.075443654633587
Energy: 2.0708195646687293
Energy: 1.9278816040054443
Energy: 2.0810967658927266
Energy: 2.054306856544885
Energy: 2.337225903328984
Energy: 2.060346945964548
Energy: 2.00804628808298
Energy: 2.0679548357757636
Energy: 2.009665490072327
Energy: 2.060068751375217
Energy: 2.3339000368059004
Energy: 2.0371406996337282
Energy: 2.050648284243009
Energy: 1.84436019248586
Energy: 1.9728525063702678
Energy: 2.0391308117370324
Energy: 2.017309861650693
Energy: 2.0231927507575445
Energy: 1.8632581698618735
Energy: 1.7506779068966345
Energy: 1.9741969344720285
Energy: 2.0573057734214695
Energy: 2.3342689605785516
Energy: 2.0159018600190834
Energy: 1.993789014024757
Energy: 1.8426270646235352
Energy: 1.9266014113616818
Energy: 2.0204954023484207
Energy: 2.482985298310165
Energy: 2.018520936194326
Energy: 1.859406960434317
Energy: 1.850336817463778
Energy: 1.8594287526420967
Energy: 2.0345677816931445
Energy: 2.0552063308991944
Energy: 1.9231217123923163
Energy: 1.8449999246525033
Energy: 1.7262804682084552
Energy: 1.9159497206525913
Energy: 1.922466464062054
Energy: 2.326695367893254
Energy: 1.9212178949931493
Energy: 1.761896530019602
Energy: 1.7365153564493594
Energy: 1.7551981386175284
Energy: 1.9567956581486463
Energy: 2.498612006763552
Energy: 1.9302089501053035
Energy: 1.7696773259505558
Energy: 1.6904337912085123
Energy: 1.7473134612520547
Energy: 1.7522315960144845
Energy: 2.47136413123898
Energy: 1.7536743304587337
Energy: 1.6910123810639004
Energy: 1.6368437309799773
Energy: 1.6389819574744033
Energy: 1.9254096131137015
Energy: 2.3235020952580654
Energy: 1.7512079559178784
Energy: 1.63527213154134
Energy: 1.6482069820846974
Energy: 1.7483862101259917
Energy: 1.958495326618132
Energy: 2.4985226162970324
Energy: 1.8816401052684446
Energy: 1.6366487002593801
Energy: 1.647304828456533
Energy: 1.7493844089532316
Energy: 1.9574974583021794
Energy: 2.310105770864414
Energy: 1.8817890042489613
Energy: 1.6397640363149584
Energy: 1.6360406738801352
Energy: 1.6362779223665453
Energy: 1.9807187291079809
Energy: 2.0573588794047915
Energy: 1.7543066606453752
Energy: 1.636573525316812
Energy: 1.6939929683192914
Energy: 1.7510759385697978
Energy: 2.0027957847471995
Energy: 2.468614830107474
Energy: 1.7534203603911747
Energy: 1.6908309346986383
Energy: 1.7461524577415908
Energy: 1.7608399917682243
Energy: 1.957891483546337
Energy: 2.5038598227911906
Energy: 1.9262346091065417
Energy: 1.7572360708403527
Energy: 1.7046322365394388
Energy: 1.8807659190099077
Energy: 1.9291291723483144
Energy: 2.1782293581103795
Energy: 1.9236580710790074
Energy: 1.762411508231148
Energy: 1.8417246151062796
Energy: 1.8618001696563253
Energy: 1.9779495104455243
Energy: 2.1791861404378006
Energy: 1.9232018504635362
Energy: 1.8408726635733612
Energy: 1.8412446769386062
Energy: 1.9304720340448787
Energy: 2.0217797119820218
Energy: 2.504486499766484
Energy: 2.007514385937648
Energy: 1.8606959706359854
Energy: 1.8399299216249996
Energy: 2.035930884562989
Energy: 2.0564270608037867
Energy: 2.341139785532502
Energy: 2.066178746257108
Energy: 1.9632781886353639
Energy: 1.843025522220037
Energy: 1.9694257933790407
Energy: 2.0758936429996555
Energy: 1.9624902388343668
Energy: 2.0405992284096426
Energy: 1.930958739765109
Energy: 2.073041115764296
Energy: 2.016357822778517
Energy: 2.0556569905485333
Energy: 2.336352981014965
Energy: 2.0628808987699276
Energy: 2.051060514228194
Energy: 2.0611984827019776
Energy: 2.0881140024802374
Energy: 2.1161327268388743
Energy: 2.337701635367468
Energy: 2.0583640598827713
Energy: 2.073023040897109
Energy: 2.0619559906366507
Energy: 2.076801115198019
Energy: 2.078928665281729
Energy: 1.9289419523007196
Energy: 2.060722580762135
Energy: 2.072734196198208
Energy: 2.329053715634582
Energy: 2.063116195782275
Energy: 2.0791922274100734
Energy: 1.9279867878095296
Energy: 2.08583271673082
Energy: 2.115151863085139
Energy: 2.3297905429435755
Energy: 2.0587339177207897
Energy: 2.0081565894215827
Energy: 2.0647301070327932
Energy: 2.0213531419798105
Energy: 2.0554501932013363
Energy: 2.056946645926785
Energy: 2.0386560758389485
Energy: 1.946025793983807
Energy: 1.8433306629234143
Energy: 1.9859392666666447
Energy: 2.0649373543047935
Energy: 2.331111073942626
Energy: 2.0395391874020707
Energy: 1.9671932475539653
Energy: 1.7521601325355012
Energy: 2.023360751251444
Energy: 2.0570837051282282
Energy: 2.4854585005281336
Energy: 2.0187283880023164
Energy: 1.9304802147483662
Energy: 1.8416348606872495
Energy: 1.9677648684254678
Energy: 2.0231157814175953
Energy: 2.327537026212336
Energy: 1.9258304330040084
Energy: 1.8646813521449659
Energy: 1.8474592276217767
Energy: 1.9133231376260593
Energy: 2.035781029589529
Energy: 2.326686867136218
Energy: 1.9248407360658386
Energy: 1.7607878851852015
Energy: 1.702061342162307
Energy: 1.9167955239667938
Energy: 1.9260020541559797
Energy: 2.4804085314523956
Energy: 1.9579619223870952
Energy: 1.7574703659149395
Energy: 1.7372896403217943
Energy: 1.9168469775934862
Energy: 1.9568591741488517
Energy: 2.475929191270647
Energy: 1.7519665222982774
Energy: 1.6931739358370126
Energy: 1.6965028743009867
Energy: 1.7487363655085306
Energy: 2.0026360520587962
Energy: 2.32283068820676
Energy: 1.752937141671981
Energy: 1.6348284037912844
Energy: 1.6407932413398856
Energy: 1.640475845926988
Energy: 2.0349509386781306
Energy: 2.480059592194985
Energy: 1.9137996688870005
Energy: 1.7472440114557428
Energy: 1.6500583022796156
Energy: 1.748432317123318
Energy: 1.999891839349005
Energy: 2.4770239200500987
Energy: 1.95849807174763
Energy: 1.6371200274277276
Energy: 1.6497347877669557
Energy: 1.7511682632625598
Energy: 1.9585535888638277
Energy: 2.468292917087741
Energy: 1.7514102223042944
Energy: 1.6358631616206312
Energy: 1.639832859103224
Energy: 1.637993467982503
Energy: 1.9803986779317093

minimum gb energy = 1.6348284037912844 eV
minimum distance =  2.4196856014374 Angstroms
sigma value = 67


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

Energy: 0.7161015380620623
Energy: 0.717694993747288
Energy: 0.9118132577498098
Energy: 0.9018311739393883
Energy: 0.9133342439562758
Energy: 0.716745279785113
Energy: 0.7137706528760288
Energy: 0.9080624354979416
Energy: 0.9035333625529912
Energy: 0.9007287590665969
Energy: 0.9129796348195692
Energy: 0.9067060426706938
Energy: 3.3229238803439882
Energy: 0.902222283091702
Energy: 0.9025529319775244
Energy: 0.9056120644865275
Energy: 0.9049806819185886
Energy: 0.9019748265679205
Energy: 0.7034509268780003
Energy: 0.9019383831342682
Energy: 0.9018962736511603
Energy: 0.9037974562908349
Energy: 0.9055221933706628
Energy: 0.7030433664892141
Energy: 0.7026203825392162
Energy: 0.9087899609489892
Energy: 0.9031077275700009
Energy: 1.6960421619255832
Energy: 0.902722633463449
Energy: 0.7028144517178332
Energy: 1.9649167295417702
Energy: 0.9020935334350465
Energy: 0.9025074681335613
Energy: 0.9038782220579799
Energy: 0.906972785004796
Energy: 0.901082247175765
Energy: 0.7106554366669843
Energy: 0.9026331133286357
Energy: 0.9036181106404434
Energy: 0.9078365605525242
Energy: 0.9088074958792455
Energy: 0.9023724628530304

minimum gb energy = 0.7026203825392162 eV
minimum distance =  2.69405608166258 Angstroms
sigma value = 3


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

Energy: 2.892239900136111
Energy: 1.782506624846867
Energy: 1.6693078754445445
Energy: 1.868137498686101
Energy: 1.666667746646963
Energy: 1.9206899589281863
Energy: 2.441017226464777
Energy: 1.7913710718401896
Energy: 1.558207712659635
Energy: 1.5724248174778759
Energy: 1.5582273071464734
Energy: 1.8851499010096635
Energy: 2.4485419187881288
Energy: 1.8005954529068187
Energy: 1.578515924553891
Energy: 1.5900102443283828
Energy: 1.5802220772147244
Energy: 1.800575669151093
Energy: 2.4484106819828706
Energy: 1.676639878125984
Energy: 1.546698304451727
Energy: 1.5540382865689706
Energy: 1.6724133049265522
Energy: 1.8512568761646024
Energy: 2.4418003326153532
Energy: 1.679625700370344
Energy: 1.6737093801419551
Energy: 1.658723362424417
Energy: 1.674564206712632
Energy: 1.8519800368149586
Energy: 2.446401859984379
Energy: 1.7994740877680886
Energy: 1.687180370663431
Energy: 1.6824472889851774
Energy: 1.6899370514496834
Energy: 1.8986502116070272
Energy: 2.4522435932678186
Energy: 1.856104154798665
Energy: 1.6179924992241892
Energy: 1.6234720107692175
Energy: 1.6636811569022758
Energy: 1.8868821973084096
Energy: 2.2928915113734383
Energy: 1.8516804640220563
Energy: 1.8623854831800277
Energy: 1.8091268063023296
Energy: 1.858308199853812
Energy: 1.938253888384287
Energy: 2.447532152984738
Energy: 1.8876683184695968
Energy: 1.8817988754513308
Energy: 1.8459694965954876
Energy: 1.8544415318388816
Energy: 1.8809067072507937
Energy: 2.451837662502927
Energy: 1.9410571961206946
Energy: 1.8369966125372366
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Energy: 1.8778388988138202
Energy: 1.941057251823686
Energy: 2.2933790667497127
Energy: 1.9383386355981342
Energy: 1.8472660593968868
Energy: 1.819816330610901
Energy: 1.8774203702980508
Energy: 1.938760439032637
Energy: 2.292459610370632
Energy: 1.9382091804414803
Energy: 1.9400329665122467
Energy: 2.038558314978776
Energy: 1.94000285371413
Energy: 1.9381119225411096
Energy: 2.3091477403600944
Energy: 1.9640877852165475
Energy: 1.945519238289596
Energy: 1.994024438189405
Energy: 1.9446125076917702
Energy: 1.965912157046645
Energy: 2.3260882359173767
Energy: 1.9730518898474922
Energy: 1.9825943883123205
Energy: 2.0414703106785987
Energy: 1.961850226040955
Energy: 1.964081466160048
Energy: 2.0352803715805208
Energy: 1.9689971532925952
Energy: 1.962261195669972
Energy: 2.168492368715568
Energy: 1.9802175371767363
Energy: 1.9641419024096738
Energy: 2.033063709990723
Energy: 1.9654280707673546
Energy: 1.9647566249198094
Energy: 1.9555666253264
Energy: 1.972820556532111
Energy: 2.004444748173662
Energy: 2.0315000748746384
Energy: 1.9633171155252804
Energy: 1.961964839888762
Energy: 2.3273360361736914
Energy: 1.9795830772185339
Energy: 2.063891598423433
Energy: 2.0325339929679926
Energy: 1.9493693466403832
Energy: 1.9648674997777893
Energy: 2.3190966994767153
Energy: 1.9669783690096003
Energy: 1.949960409777081
Energy: 2.0738861420070065
Energy: 1.936682724071484
Energy: 1.9357504488588557
Energy: 2.4502453128400905
Energy: 1.9384684312613683
Energy: 1.9461387207656755
Energy: 1.8102419696514023
Energy: 1.8960421189068744
Energy: 1.935894016225071
Energy: 1.9572281388841983
Energy: 1.9377432091284594
Energy: 1.8023809019456842
Energy: 1.8356431259158967
Energy: 1.86653645551376
Energy: 1.9419927110332305
Energy: 2.4589272364538504
Energy: 1.874753741030087
Energy: 1.8597937845905224
Energy: 1.80560299769264
Energy: 1.8562666159165044
Energy: 1.8864920446099371
Energy: 2.460572256586748
Energy: 1.858070107799203
Energy: 1.8712466264526397
Energy: 1.643939800405759
Energy: 1.865019048091836
Energy: 1.9211291807008644
Energy: 1.9766418160637538
Energy: 1.853830326010346
Energy: 1.6254489398678724
Energy: 1.619502940667574
Energy: 1.664400348053711
Energy: 1.88737226180332
Energy: 2.2887651628753107
Energy: 1.8583354488067354
Energy: 1.615436297603707
Energy: 1.6794222450397225
Energy: 1.6918467970405835
Energy: 1.8030307374406869
Energy: 2.269410102713623
Energy: 1.801789803340542
Energy: 1.6648024579812486
Energy: 1.6469790937724964
Energy: 1.6726018162958336
Energy: 1.7833805585279154
Energy: 2.2845349464490505
Energy: 1.6737620511390616
Energy: 1.6306593518806405
Energy: 1.5531975183143798
Energy: 1.5481906191045685
Energy: 1.785490367776396
Energy: 2.282445946750368
Energy: 1.6768548090720075
Energy: 1.5494082627241803
Energy: 1.5847092876133038
Energy: 1.5779373233469691
Energy: 1.7972724795287571
Energy: 2.2660644756552952
Energy: 1.8029978434470253
Energy: 1.5798708236633543
Energy: 1.564590580948309
Energy: 1.5560726812612062
Energy: 1.7913063326938559
Energy: 2.455567833014961
Energy: 1.6883519327634997
Energy: 1.5551832441823394
Energy: 1.6247898122223443
Energy: 1.6653464309368813
Energy: 1.8531354200171912
Energy: 2.3453470256116518
Energy: 1.6679903421572764
Energy: 1.6200226093021437
Energy: 1.6845573426484135
Energy: 1.6945970560197874
Energy: 1.8066591113718766
Energy: 2.2485481021551528
Energy: 1.7215536065332302
Energy: 1.6894283577054288
Energy: 1.6430262828695748
Energy: 1.6694090428978063
Energy: 1.8944586601497648
Energy: 2.4557118033988465
Energy: 1.887446325395243
Energy: 1.6283085486477369
Energy: 1.6262495291617936
Energy: 1.6686602345835129
Energy: 1.8521495691199732
Energy: 2.298090797120053
Energy: 1.8520787946510722
Energy: 1.6182364554811781
Energy: 1.850024703670715
Energy: 1.8691648738680884
Energy: 1.8529618254419564
Energy: 2.45712065170323
Energy: 1.853619802534472
Energy: 1.8384057976156292
Energy: 1.8098426330171709
Energy: 1.8632794712651906
Energy: 1.9381609867549197
Energy: 2.4544490445534257
Energy: 1.877989475569267
Energy: 1.8479275109235245
Energy: 1.8048991719652308
Energy: 1.8935256959192217
Energy: 1.9387336540082034
Energy: 2.278038069449644
Energy: 1.9401587535267417
Energy: 1.8462508718772566
Energy: 2.040062011552964
Energy: 1.9464735477241812
Energy: 1.9396747341775442
Energy: 1.962135684431474
Energy: 1.9388852166457107
Energy: 1.9737798709891978
Energy: 1.909166441820135
Energy: 1.962918129621958
Energy: 1.948324020779854
Energy: 2.2979490539529652
Energy: 1.9382799633696624
Energy: 1.9389750646551926
Energy: 2.0526278675554197
Energy: 1.9589571418849032
Energy: 1.9637223836128244
Energy: 2.3074513215381023
Energy: 1.9740768022876156
Energy: 1.9689807176609913
Energy: 2.0539571323361074
Energy: 1.9806993193370206
Energy: 1.9648270101186138
Energy: 2.036182641804158
Energy: 1.9750003275155412
Energy: 1.986501403823023
Energy: 2.15438274757133
Energy: 1.9748806980376794
Energy: 1.963784120650423
Energy: 2.3112133549438
Energy: 1.966936719629445
Energy: 1.9609424120162398
Energy: 2.1549687718349855
Energy: 1.971981870498277
Energy: 1.9836815697761667
Energy: 2.0451336786742798
Energy: 1.9768174740616227
Energy: 1.9607391683105717
Energy: 2.2986147564706667
Energy: 1.96156712438588
Energy: 1.93963287864553
Energy: 2.0817383972371197
Energy: 1.980318925601195
Energy: 1.9691316888878374
Energy: 2.4465985434768114
Energy: 1.9391338201478845
Energy: 1.9493065241613508
Energy: 2.037616695839206
Energy: 1.9543638350951218
Energy: 1.9368829099475895
Energy: 2.500432190323817
Energy: 1.9390087962971632
Energy: 1.87415693104703
Energy: 1.8030233771556883
Energy: 1.978088267782802
Energy: 1.9807487800043861
Energy: 2.4424789850144593
Energy: 1.9396403488701712
Energy: 1.8417059835024494
Energy: 1.8109613158467956
Energy: 1.877543221032953
Energy: 1.9372906426177254
Energy: 2.4485404604291188
Energy: 1.8778573852312859
Energy: 1.8685098452092792
Energy: 1.835882606734199
Energy: 1.8550912943290254
Energy: 1.9420509293791435
Energy: 2.4336961092693317
Energy: 1.852081430001758
Energy: 1.858335383374235
Energy: 1.8388450166984374
Energy: 1.8534493433864787
Energy: 1.9059063395152238
Energy: 2.4309554680922645
Energy: 1.851840799125101
Energy: 1.615847958024523
Energy: 1.6190595298221666
Energy: 1.7952490891738588
Energy: 1.905650378567093
Energy: 2.4478775223799727
Energy: 1.8001261899838277
Energy: 1.640192784042062
Energy: 1.6582926529807354
Energy: 1.6801764125704755
Energy: 1.8870175680873065
Energy: 2.4452203726761823
Energy: 1.6935289852808437
Energy: 1.6855780301483707
Energy: 1.680519043931318
Energy: 1.685441111764516
Energy: 1.887667244625153

minimum gb energy = 1.546698304451727 eV
minimum distance =  2.37499351079929 Angstroms
sigma value = 81


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

Energy: 3.205667011449576
Energy: 1.976300115252569
Energy: 1.670442131000384
Energy: 2.0233806665432357
Energy: 1.8423947992281189
Energy: 2.1368404081313215
Energy: 2.2504777424591236
Energy: 1.9566016474351158
Energy: 1.6855216598375486
Energy: 1.701546770135193
Energy: 1.6885378202137071
Energy: 2.0946035076832006
Energy: 2.545450904945763
Energy: 2.021648073760223
Energy: 1.71240173695205
Energy: 1.7226832927870228
Energy: 1.7118987885602912
Energy: 2.0226318196324278
Energy: 2.2557670819452
Energy: 1.8519271848692325
Energy: 1.6710621496855338
Energy: 1.6724088297657098
Energy: 1.7636857537354576
Energy: 2.0455369613546153
Energy: 2.251018808972888
Energy: 1.8532268058402381
Energy: 1.8489383876209982
Energy: 1.7876452465885957
Energy: 1.849210274184881
Energy: 2.0472602006754377
Energy: 2.54251475290096
Energy: 2.0217753428022576
Energy: 1.8185685798603042
Energy: 1.785933830720365
Energy: 1.864146996182602
Energy: 2.1277947388977028
Energy: 2.347398938063825
Energy: 2.088067603632207
Energy: 1.8134463895285056
Energy: 1.78967720935025
Energy: 1.841811980892335
Energy: 2.1271584795166065
Energy: 2.331254863592306
Energy: 2.0871023876613437
Energy: 2.106022524936137
Energy: 2.0101301200691606
Energy: 2.088270226534698
Energy: 2.149774412896312
Energy: 2.254023732930205
Energy: 2.127754466475424
Energy: 2.0836809505765874
Energy: 1.9766431826957795
Energy: 2.086141646917929
Energy: 2.1229585998749405
Energy: 2.4334343697099015
Energy: 2.1006726395104764
Energy: 2.062406952622273
Energy: 2.074996169768828
Energy: 2.095753799674481
Energy: 2.159314863625825
Energy: 2.1366428687430967
Energy: 2.14792709851351
Energy: 2.100608645719457
Energy: 2.007840127388429
Energy: 2.0952866062328166
Energy: 2.1575064165723394
Energy: 2.248573074141646
Energy: 2.1479027003234465
Energy: 2.1462848048913346
Energy: 2.3250645378449257
Energy: 2.149288475111291
Energy: 2.158000630167894
Energy: 2.0787001759192414
Energy: 2.0824068793106707
Energy: 2.1475728894856605
Energy: 2.3266714173133014
Energy: 2.155342512594823
Energy: 2.0766517082760174
Energy: 2.101373545763416
Energy: 2.0599008433100634
Energy: 2.1758654129279154
Energy: 2.2191719823164284
Energy: 2.1550976501059416
Energy: 2.115853482175395
Energy: 2.0767779891604112
Energy: 2.058149515366159
Energy: 2.1207837110453216
Energy: 2.2187342441882927
Energy: 2.062835386800108
Energy: 2.0596303366924187
Energy: 1.9306016846539407
Energy: 2.064940914895946
Energy: 2.1163343610829255
Energy: 2.318955323216432
Energy: 2.0601858472723182
Energy: 1.9289468883354852
Energy: 1.8498342990070031
Energy: 1.936066153994867
Energy: 2.0614655840570335
Energy: 2.25229108056271
Energy: 2.060424622265928
Energy: 1.850270558195776
Energy: 1.8507580548272746
Energy: 1.9417963541925263
Energy: 1.9979017961879948
Energy: 2.223073800753125
Energy: 1.9928649405126997
Energy: 1.897347774508591
Energy: 1.858598830230506
Energy: 1.9136859592298507
Energy: 1.9941224736566585
Energy: 2.6142009823995394
Energy: 1.9922200870166629
Energy: 1.8545782527993169
Energy: 1.7182051373109162
Energy: 1.7396208859737172
Energy: 1.9923943106326005
Energy: 2.6231984143392926
Energy: 1.99118385068551
Energy: 1.7178730321721465
Energy: 1.7729101905390734
Energy: 1.7763094995599102
Energy: 1.9932059679492715
Energy: 2.2174026787606964
Energy: 1.9983001318200295
Energy: 1.762589120558547
Energy: 1.7650323644353696
Energy: 1.7907156826283297
Energy: 2.052751988470398
Energy: 2.216647148395352
Energy: 1.8425426201632595
Energy: 1.7519745069614567
Energy: 1.7343329469613025
Energy: 1.8639252232263332
Energy: 2.0571145199889695
Energy: 2.15139478418198
Energy: 1.8655450117138097
Energy: 1.7297475541863108
Energy: 1.7908132248734867
Energy: 1.8358309743646861
Energy: 2.052295448651665
Energy: 2.2167807527795436
Energy: 1.8424883171195305
Energy: 1.8291082541900912
Energy: 1.8249571414930268
Energy: 1.820627873408721
Energy: 2.1208353589031677
Energy: 2.2202985356764997
Energy: 2.051759737646215
Energy: 1.8186899546832216
Energy: 1.797817311820604
Energy: 1.8303830856168042
Energy: 2.076224835490034
Energy: 2.527875924126961
Energy: 2.0760949056282616
Energy: 1.7913400524370184
Energy: 2.0784973864540226
Energy: 2.0796967458683735
Energy: 2.0758347979416096
Energy: 2.5200161938668684
Energy: 2.0768099923228998
Energy: 2.0575038045390457
Energy: 1.976320232249891
Energy: 2.075973628483319
Energy: 2.107253151478061
Energy: 2.1729396261761513
Energy: 2.0971140120030474
Energy: 2.051430478498157
Energy: 2.0757461976424265
Energy: 2.0783395925037484
Energy: 2.1582770540723075
Energy: 2.2505382619934693
Energy: 2.1664021461317646
Energy: 2.0514112846520227
Energy: 2.0767104185922096
Energy: 2.212187272832707
Energy: 2.157901985448569
Energy: 2.1399218780044307
Energy: 2.1560494876675245
Energy: 2.064870636510307
Energy: 2.3173662073073547
Energy: 2.158039291625288
Energy: 2.1554430106511235
Energy: 2.1675432976463513
Energy: 2.1595913993203903
Energy: 2.150314158019995
Energy: 2.345800067431583
Energy: 2.157076434509217
Energy: 2.0799551789477135
Energy: 2.074838830594952
Energy: 2.1239773914430407
Energy: 2.155369630536817
Energy: 2.2500842370953364
Energy: 2.1037395266915313
Energy: 2.0849084728695884
Energy: 2.0751346681760205
Energy: 2.092279366564001
Energy: 2.2792850347583355
Energy: 2.2522518250179115
Energy: 2.0889248243822425
Energy: 2.0883194985077256
Energy: 2.077096807022555
Energy: 2.0921980082052314
Energy: 2.1162737576257196
Energy: 2.3118112451286725
Energy: 2.088655205161235
Energy: 1.7858347241838382
Energy: 1.7996198322893306
Energy: 1.937033077391328
Energy: 2.1156360863059414
Energy: 2.252930419140892
Energy: 2.0241299590853647
Energy: 1.7931532302784603
Energy: 1.8150442892288576
Energy: 1.8453659923748318
Energy: 2.1286229574223148
Energy: 2.3466112748165875
Energy: 1.9752755041835783
Energy: 1.8641944608743728
Energy: 1.7886616270679154
Energy: 1.8683844992328413
Energy: 2.1246898541245725
Energy: 2.3126434976475627
Energy: 1.8442999530765645
Energy: 1.842361180439469
Energy: 1.7896678733463078
Energy: 1.842735394527668
Energy: 2.1151321722214744

minimum gb energy = 1.670442131000384 eV
minimum distance =  2.42117913589105 Angstroms
sigma value = 43


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

Energy: 3.0072297254264937
Energy: 2.0679622950955276
Energy: 1.751301108805329
Energy: 1.7482459970193023
Energy: 1.9677409786145392
Energy: 2.2963480463536294
Energy: 2.395492938560703
Energy: 1.9718769079249236
Energy: 1.7644662602180188
Energy: 1.7563792290053426
Energy: 1.7655051277046443
Energy: 2.2076390262828154
Energy: 2.3050423937900266
Energy: 2.1025747750880446
Energy: 1.7963065251325252
Energy: 1.7966064852587575
Energy: 1.7961031175509419
Energy: 2.254693832745929
Energy: 2.376325950443456
Energy: 1.9712165858265938
Energy: 1.748685685111317
Energy: 1.7492491248630357
Energy: 1.8671271944213859
Energy: 2.203395859515449
Energy: 2.3773088945473027
Energy: 1.9735629412348565
Energy: 1.939139974663653
Energy: 1.912426656793082
Energy: 1.9697130775551028
Energy: 2.20403772599618
Energy: 2.439080328931515
Energy: 2.1844877278390076
Energy: 1.933354522884703
Energy: 1.909240777356089
Energy: 1.9673688514068097
Energy: 2.28112220825704
Energy: 2.4392858216972546
Energy: 2.23596707313557
Energy: 1.9347667130425907
Energy: 1.9123557850031392
Energy: 1.967750633998213
Energy: 2.2811883053009256
Energy: 2.3760720595771008
Energy: 2.233986600074562
Energy: 2.272258404680711
Energy: 2.09924732222799
Energy: 2.235926821450566
Energy: 2.2336754762426883
Energy: 2.3013039135392352
Energy: 2.282745686935492
Energy: 2.234803668146448
Energy: 2.1700249320585963
Energy: 2.233423397900784
Energy: 2.280459627864736
Energy: 2.3006198387874917
Energy: 2.2426598813827727
Energy: 2.228219541902054
Energy: 2.052229664360121
Energy: 2.2381371493126117
Energy: 2.238677222475976
Energy: 2.298822956022298
Energy: 2.2171321300911733
Energy: 2.2469169524670485
Energy: 2.053315271380094
Energy: 2.2128609627665914
Energy: 2.2098247975404854
Energy: 2.300189292460343
Energy: 2.2104689719361015
Energy: 2.2118632175029918
Energy: 2.3987580897479734
Energy: 2.2109829806916323
Energy: 2.21008068596543
Energy: 1.9889914072852097
Energy: 2.0760794883858806
Energy: 2.264114636196335
Energy: 2.487259140056832
Energy: 2.2112587696399024
Energy: 1.9864085558039637
Energy: 2.009741418207251
Energy: 2.072066573994909
Energy: 2.261295089148639
Energy: 2.4960442894069232
Energy: 2.072870387616764
Energy: 2.0031362217633037
Energy: 1.9780284687641472
Energy: 2.051801638775411
Energy: 2.1457609651968803
Energy: 2.4892276907214415
Energy: 2.148245707851162
Energy: 1.9927480017804842
Energy: 1.8319725241675675
Energy: 2.1417105090901494
Energy: 2.140950135900066
Energy: 2.499912214790911
Energy: 2.1403783702813493
Energy: 1.9783070455093266
Energy: 1.8176044355092758
Energy: 1.834047655716849
Energy: 2.14773744915925
Energy: 2.4901404839215404
Energy: 2.144119832597615
Energy: 1.8106230869258262
Energy: 1.8774253436517743
Energy: 1.8920052278448725
Energy: 2.2256926510118054
Energy: 2.493763911671273
Energy: 1.8922494926387758
Energy: 1.8714696681475156
Energy: 1.8285786131517117
Energy: 1.8752274456409068
Energy: 1.9441751906747051
Energy: 2.3768837294477545
Energy: 1.941256742430521
Energy: 1.8272633156568812
Energy: 1.9125173775092934
Energy: 1.9371703894401753
Energy: 1.941892497014486
Energy: 2.376622390330361
Energy: 1.939046568540691
Energy: 1.9427483554932166
Energy: 1.9128122338389093
Energy: 1.9397196148421958
Energy: 2.216274485378703
Energy: 2.2931921944265903
Energy: 1.9395445045734194
Energy: 1.939472864928645
Energy: 1.9143259185440558
Energy: 1.9360129592214768
Energy: 2.239602764366606
Energy: 2.2923220072990933
Energy: 2.2277751731890123
Energy: 1.9421300760323248
Energy: 1.9131711482830058
Energy: 2.263836308492312
Energy: 2.2363549874526076
Energy: 2.3136042578732097
Energy: 2.2364015934511845
Energy: 1.9407362562934012
Energy: 2.1620151001703865
Energy: 2.240843291603933
Energy: 2.276397078636454
Energy: 2.2905774337402156
Energy: 2.237826064139075
Energy: 2.231612770840291
Energy: 2.3040274160079854
Energy: 2.235161954506914
Energy: 2.2389763285794793
Energy: 2.2990212026800085
Energy: 2.2511163377082757
Energy: 2.2465796013663164
Energy: 2.220629333061047
Energy: 2.2499477746355168
Energy: 2.2446887938701456
Energy: 2.319962589983033
Energy: 2.261097147722846
Energy: 2.2406983924805535
Energy: 2.3972591118371396
Energy: 2.2472775006829924
Energy: 2.2414512094091714
Energy: 2.316500635518489
Energy: 2.2499237257291322
Energy: 2.2510300804275625
Energy: 2.4026572409784865
Energy: 2.246338071577592
Energy: 1.9083814466661018
Energy: 1.9092963195051909
Energy: 2.0836144525930833
Energy: 2.264017791861897
Energy: 2.3055471978228232
Energy: 2.2922205032769294
Energy: 1.9133418930658137
Energy: 1.927150627307407
Energy: 1.9695522275147126
Energy: 2.2934588119456376
Energy: 2.439155878322008
Energy: 2.1187782532735087
Energy: 1.9720238298832031
Energy: 1.910795603497
Energy: 1.9720143652741422
Energy: 2.2803022281179692
Energy: 2.39720707651141
Energy: 1.9702952130645337
Energy: 1.9685783230710867
Energy: 1.9107043341703196
Energy: 1.9690951334638909
Energy: 2.059254182048386

minimum gb energy = 1.7482459970193023 eV
minimum distance =  2.38772720476675 Angstroms
sigma value = 57


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

Energy: 2.4938254429593374
Energy: 2.365991586394283
Energy: 1.810200265999203
Energy: 1.8135235819202304
Energy: 2.0893596958452156
Energy: 2.365390079734282
Energy: 2.297145983358486
Energy: 2.0987746833143115
Energy: 1.7990104231129007
Energy: 1.8130562745057999
Energy: 1.7998771241181333
Energy: 2.369665341917583
Energy: 2.3270880939436784
Energy: 2.0884519707297757
Energy: 1.841357451529528
Energy: 1.8450844282128411
Energy: 1.8410614385465507
Energy: 2.4107170898587156
Energy: 2.318548542336632
Energy: 2.08972493026345
Energy: 1.7958421477140547
Energy: 1.7980419859890593
Energy: 2.0873128089109088
Energy: 2.3989183984306854
Energy: 2.318637326209614
Energy: 2.091151640272861
Energy: 2.096522173545827
Energy: 2.062417135276749
Energy: 2.087735188105077
Energy: 2.400300074148432
Energy: 2.3208832600810534
Energy: 2.123663730301332
Energy: 2.0921093865017415
Energy: 2.0499793803768807
Energy: 2.0988482681324365
Energy: 2.4100150854903513
Energy: 2.3243208840082468
Energy: 2.3734260314681666
Energy: 2.0959312674262183
Energy: 2.0487131625140265
Energy: 2.12976902489556
Energy: 2.368459077327711
Energy: 2.0407945667602694
Energy: 2.366800683853526
Energy: 2.417141679749831
Energy: 2.044024381552059
Energy: 2.369347581346545
Energy: 2.3682420302287097
Energy: 2.04546014185384
Energy: 2.372188744021993
Energy: 2.33960475872844
Energy: 2.31965420466797
Energy: 2.366312315777764
Energy: 2.4121284718813754
Energy: 2.047560840855955
Energy: 2.0872483935532986
Energy: 2.3687644582789824
Energy: 2.3211562165395834
Energy: 2.3897898822825843
Energy: 2.059209448801034
Energy: 2.0433030012437903
Energy: 2.0918578930188167
Energy: 2.4036288461234765
Energy: 2.324729662578098
Energy: 2.4035033357472284
Energy: 2.0538598371454455
Energy: 2.044845033041124
Energy: 2.0872558036381523
Energy: 2.0919579971846813
Energy: 2.3017642834296272
Energy: 2.0893440102568324
Energy: 2.0585101875556773
Energy: 1.798043960403637
Energy: 1.7957137560717709
Energy: 2.3391542672109225
Energy: 2.4528566368736398
Energy: 2.087439782912572
Energy: 1.7963635186673288
Energy: 1.840334570094234
Energy: 1.8334494007711737
Energy: 2.383253377626356
Energy: 2.3372902495897487
Energy: 2.3539279631786165
Energy: 1.830797877788493
Energy: 1.8188318165415494
Energy: 1.8032480899014205
Energy: 2.089681482980817
Energy: 2.3248366848043474
Energy: 2.0998892531285716
Energy: 1.8010588377362406
Energy: 1.805630061424305
Energy: 2.0873393291420115
Energy: 2.365920257443137
Energy: 2.398419221577951
Energy: 2.0873657233900222
Energy: 1.798175439811894
Energy: 2.043912036585637
Energy: 2.0897308974976334
Energy: 2.0980042010634414
Energy: 2.3256157227820413
Energy: 2.0947661271280906
Energy: 2.090737211669114
Energy: 2.070579672285931
Energy: 2.0881875089711617
Energy: 2.4154435081904215
Energy: 2.327602661503268
Energy: 2.1199042358010693
Energy: 2.103968817989919
Energy: 2.050813956165902
Energy: 2.1311569184078656
Energy: 2.3680959900273604
Energy: 2.333159326389033
Energy: 2.3726561813966582
Energy: 2.0869286126335442
Energy: 2.3252347398353974
Energy: 2.3699337892108825
Energy: 2.368021283153532
Energy: 2.333528479395716
Energy: 2.372070659254719
Energy: 2.402129431615247
Energy: 2.303175689024
Energy: 2.3674385958346282
Energy: 2.119820303978895
Energy: 2.0436714371636433
Energy: 2.386817384220933
Energy: 2.3103268423894168
Energy: 2.3249711690100656
Energy: 2.3657483155894865
Energy: 2.0560500664005676
Energy: 2.0485416000143046
Energy: 2.119003014044537
Energy: 2.4019913691114283
Energy: 2.3305090862204363
Energy: 2.4120372099007517
Energy: 2.0975602692886337
Energy: 2.0503321166610435
Energy: 2.0951675863675074
Energy: 2.411314881569089
Energy: 2.296254885739373
Energy: 2.0881751976169465
Energy: 2.0946869729349307
Energy: 2.0470663231052333
Energy: 2.0869604872358036
Energy: 2.3392712135782756

minimum gb energy = 1.7957137560717709 eV
minimum distance =  2.40052515864452 Angstroms
sigma value = 17


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

Energy: 2.9954068891597085
Energy: 2.563334001669922
Energy: 1.9013805633401832
Energy: 1.898876937368171
Energy: 2.2322526791389836
Energy: 2.5698724623676106
Energy: 1.8419386627518588
Energy: 2.233367926230432
Energy: 1.8450336568097665
Energy: 1.8507493731931843
Energy: 1.845246708633424
Energy: 2.2342025938641554
Energy: 1.9017410278499056
Energy: 2.236599139849095
Energy: 1.864073322542091
Energy: 1.881139952050463
Energy: 1.848101112728822
Energy: 2.230075832932459
Energy: 1.8926656579870362
Energy: 2.231674013027108
Energy: 1.8461353860300143
Energy: 1.8581153340875385
Energy: 2.230814085608509
Energy: 2.2316507483450474
Energy: 1.893245247592453
Energy: 2.231494187180312
Energy: 2.232477633670473
Energy: 1.897241487392955
Energy: 2.2313170899072325
Energy: 2.2324698429805307
Energy: 1.8973694666644667
Energy: 2.236058423134717
Energy: 2.2321078243566275
Energy: 1.8442145491593158
Energy: 2.234364138311713
Energy: 1.896609832958501
Energy: 1.8970549943088468
Energy: 2.236563517676275
Energy: 2.240330989731375
Energy: 1.8962653623771801
Energy: 2.229740052757234
Energy: 2.230929282499428
Energy: 1.8975883670206832
Energy: 2.2322100456798024
Energy: 2.519199597643993
Energy: 1.8967636609761973
Energy: 2.240455109838652
Energy: 2.2315471493645287
Energy: 1.8967254842773782
Energy: 2.231473063298045
Energy: 2.513450504862691
Energy: 2.512867731201699
Energy: 2.2302368584660055
Energy: 1.8972272524152178
Energy: 1.8453939587201997
Energy: 1.8450042876183343
Energy: 2.2321186737663967
Energy: 1.8402023206589289
Energy: 2.230731870394466
Energy: 1.8449469207331528
Energy: 1.8789409413158777
Energy: 1.8755514211091684
Energy: 2.6030157683858115
Energy: 1.8997448433820112
Energy: 2.288306067304771
Energy: 1.8751891911974672
Energy: 1.8473336073957798
Energy: 1.8457775445085634
Energy: 2.23207535277043
Energy: 1.8929565167369038
Energy: 2.2330555027651093
Energy: 1.845946892477241
Energy: 1.8966638276847243
Energy: 2.2399444874544225
Energy: 2.2319214114735293
Energy: 2.230640837982691
Energy: 2.2312119458160873
Energy: 2.2358936099260447
Energy: 1.9036726781130915
Energy: 2.23446836818663
Energy: 2.23548611470092
Energy: 1.90469053731574
Energy: 2.2357650288070507
Energy: 1.8478109538218608
Energy: 1.896700292352104
Energy: 2.238039860596983
Energy: 2.234855251877969
Energy: 1.8975861899631339
Energy: 2.230495895066406
Energy: 2.2309419254652076
Energy: 1.899377518513894
Energy: 2.543773565149365
Energy: 2.2348946164948877
Energy: 2.2346639657304808
Energy: 2.2359570820264087
Energy: 2.2680242362714753
Energy: 1.8401624060007824
Energy: 2.23025026960157
Energy: 2.2330615880744817
Energy: 1.8975167399535817
Energy: 2.230564107162245
Energy: 2.5117594476243577

minimum gb energy = 1.8401624060007824 eV
minimum distance =  2.4210819006056 Angstroms
sigma value = 17


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

Energy: 3.0974323880934445
Energy: 2.402847145955269
Energy: 1.9906329301196795
Energy: 1.987376313624756
Energy: 2.2306275762117918
Energy: 2.646220610550139
Energy: 1.9898525206335393
Energy: 2.1767981534298744
Energy: 1.932377891779385
Energy: 1.9367200320594258
Energy: 1.9325897216040708
Energy: 2.577891627071221
Energy: 2.1772463403389457
Energy: 2.57960302905446
Energy: 1.932819683410579
Energy: 1.9377357873022953
Energy: 1.9327391457803322
Energy: 2.469148271986633
Energy: 2.5652285882713173
Energy: 2.5787311565523785
Energy: 1.93500594815003
Energy: 1.9342492366658695
Energy: 2.2124684594301884
Energy: 2.5796650903967455
Energy: 2.4878253582353436
Energy: 2.583261375642966
Energy: 2.57828416716502
Energy: 2.4765439999054406
Energy: 2.584739122041254
Energy: 2.579247672494365
Energy: 1.935191506386045
Energy: 1.9365553742276116
Energy: 2.5700459728063247
Energy: 2.5724088039104376
Energy: 2.5783126430536587
Energy: 1.9360082814622364
Energy: 1.9326261208535924
Energy: 1.9329647394084797
Energy: 2.5778508854647715
Energy: 2.470310182829765
Energy: 2.5831143466960733
Energy: 1.9327293555399092
Energy: 1.9458316488064886
Energy: 1.9368285498665283
Energy: 2.1830977797023863
Energy: 1.9415016042164543
Energy: 2.1783503036244904
Energy: 1.9358377202974506
Energy: 1.9422193347287977
Energy: 1.9338335268734816
Energy: 2.469530094977706
Energy: 2.5825048095446643
Energy: 2.178010740560177
Energy: 1.9344193028573737
Energy: 2.1646017376365507
Energy: 2.179130362825973
Energy: 2.179481790962552
Energy: 2.163956444572978
Energy: 2.176552833021063
Energy: 2.1796876484644536
Energy: 2.1756530254180086
Energy: 2.1802725923096316
Energy: 2.4688069251493228
Energy: 2.472859381738845
Energy: 2.178150509611848
Energy: 2.191437158821676
Energy: 2.171883177506868
Energy: 2.1796710177772853
Energy: 2.4692722572017125
Energy: 2.5535807850992978
Energy: 2.4713709781291793
Energy: 2.1800466441264836
Energy: 2.0598157432332025
Energy: 2.4718603952317726
Energy: 2.4710166322630966
Energy: 2.5642351039018654
Energy: 2.4721837882016215
Energy: 2.514716740326643
Energy: 2.8206403087442253
Energy: 2.471799311578886
Energy: 2.209092133324166
Energy: 2.1532617542995056
Energy: 2.4714089173629317
Energy: 2.5712876408687557
Energy: 2.333129334076757
Energy: 2.4712238090562075
Energy: 1.8799700757057685
Energy: 1.8869672930569306
Energy: 1.880137392978976
Energy: 2.470090467775899
Energy: 2.1984160749919783
Energy: 2.4714815655082485
Energy: 1.8849001653477746
Energy: 1.8911164554373256
Energy: 1.8856960140123424
Energy: 2.1780892529185834
Energy: 2.5555309245222593
Energy: 2.4729351422089993
Energy: 1.8828767405202482
Energy: 1.8811389045447482
Energy: 1.8812108607146365
Energy: 2.575739335522999
Energy: 2.55311864923525
Energy: 2.472657552327707
Energy: 2.474528527548914
Energy: 2.472591886497892
Energy: 2.474949231305285
Energy: 2.577275722617843
Energy: 2.168788343342293
Energy: 2.472514858458932
Energy: 2.4965982574243584
Energy: 2.3904622660179706
Energy: 2.46894028298934
Energy: 2.1620799333012313
Energy: 2.160702273730887
Energy: 2.1800511854673803
Energy: 2.476088279761278
Energy: 2.475503843098755
Energy: 2.4745637545296013
Energy: 2.182512248054456
Energy: 2.205246201676336
Energy: 2.1759449721122377
Energy: 2.547388566097268
Energy: 2.1680803923752117
Energy: 2.1820993657230114
Energy: 2.1999184550222504
Energy: 2.1681249778959963
Energy: 2.180203926764836
Energy: 2.3487035546053177
Energy: 2.5707339936759994
Energy: 2.177351063871446
Energy: 2.1846415540990245
Energy: 1.936503545914334
Energy: 1.933325583099377
Energy: 2.1778396132167432
Energy: 2.337135832444922
Energy: 2.175112821713674
Energy: 1.9330751356084697
Energy: 1.9550093723230613
Energy: 1.943653895278462
Energy: 2.4706271150225954
Energy: 1.9346816363273618
Energy: 1.9445835928937731
Energy: 1.943098231189918
Energy: 1.9502347205421153
Energy: 1.932740855043234
Energy: 2.5785785699175054
Energy: 2.5644780908082083
Energy: 2.5834319086327575
Energy: 1.9338692720295017
Energy: 1.935855395442912
Energy: 2.5790214178604756
Energy: 2.579174749271769
Energy: 2.558792926594592
Energy: 2.578349827766802
Energy: 2.20190841552802
Energy: 2.797834383159587
Energy: 2.577727314873864
Energy: 2.579246146106199
Energy: 1.9337337156594299
Energy: 2.5778991349365437
Energy: 2.571890555880697
Energy: 2.749030378745307
Energy: 2.582165035749449
Energy: 1.9343096829507354
Energy: 1.9500939504820545
Energy: 1.9326937588355244
Energy: 2.5779374458757673
Energy: 2.305056272368806
Energy: 2.35711402613926
Energy: 1.9477144065087217
Energy: 1.9623750453394302
Energy: 1.9473229096831945
Energy: 2.3854271958850255
Energy: 2.5456032012412093
Energy: 2.177206732232023
Energy: 1.9337603583319611
Energy: 1.9409842362703216
Energy: 1.9338056787309768
Energy: 2.4695949573698313
Energy: 2.908909999076998
Energy: 2.1767622119411096
Energy: 2.179159802425383
Energy: 2.1675138612740503
Energy: 2.178926345330262
Energy: 2.4689678494158747
Energy: 2.478306360213112
Energy: 2.187528763783282
Energy: 2.176956141496251
Energy: 2.1971255591192755
Energy: 2.179263592717392
Energy: 2.4698024182910396
Energy: 2.4731731447945555
Energy: 2.4730963930973595
Energy: 2.1881875768587955
Energy: 2.170582139097635
Energy: 2.1788530528727432
Energy: 2.4810393545611253
Energy: 2.6159134218107694
Energy: 2.495842827482316
Energy: 2.177519604105186
Energy: 2.170003490204219
Energy: 2.471844175566628
Energy: 2.480093656230966
Energy: 2.468796394212917
Energy: 2.475004494556432
Energy: 2.5702029884698043
Energy: 2.7607733331927804
Energy: 2.4702846307168467
Energy: 2.4729059472856405
Energy: 1.8905063749110043
Energy: 1.881821611029188
Energy: 2.4725009981494837
Energy: 2.7568948559485396
Energy: 2.470808540851704
Energy: 1.88280106644542
Energy: 1.8879698647545589
Energy: 1.8869801068572123
Energy: 2.377100893173565
Energy: 2.198248877857213
Energy: 1.8878634412781616
Energy: 1.8876817146991731
Energy: 1.8858156275690217
Energy: 1.8799939127592469
Energy: 2.471121555640274
Energy: 2.1679260604390835
Energy: 2.471218534340661
Energy: 1.8797644705519707
Energy: 2.1542896763208583
Energy: 2.471063941853126
Energy: 2.5798569170378762
Energy: 2.5792195880145097
Energy: 2.4706213960148347
Energy: 2.1902210113127105
Energy: 2.3587179613073763
Energy: 2.4803745862388835
Energy: 2.4717058070956166
Energy: 2.052409880279057
Energy: 2.4717941388152416
Energy: 2.479356081817359
Energy: 2.4851774607740724
Energy: 2.4729520287827325
Energy: 2.1799328632128097
Energy: 2.178469256000116
Energy: 2.1783240362331475
Energy: 2.4756265882240918
Energy: 2.1734402828006276
Energy: 2.4785227394917326
Energy: 2.1797857511965804
Energy: 2.1942955528006367
Energy: 2.174712460179051
Energy: 2.487030583298648
Energy: 2.3335239110220414
Energy: 2.176927708308526
Energy: 2.18544708178085
Energy: 2.1649148490746235
Energy: 2.179460144411089
Energy: 2.3496471216472896

minimum gb energy = 1.8797644705519707 eV
minimum distance =  2.38111461056467 Angstroms
sigma value = 57


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

Energy: 2.8720457494214857
Energy: 2.5249933381914818
Energy: 2.0352108304278125
Energy: 2.441651386969339
Energy: 2.384681774548967
Energy: 2.504111150442035
Energy: 2.2340772343336406
Energy: 2.3282341781426776
Energy: 1.960862773167509
Energy: 1.9643508666209262
Energy: 1.961258589605087
Energy: 2.3308342802592894
Energy: 2.333463149282816
Energy: 2.5778951900730407
Energy: 1.9573965455752627
Energy: 1.9588418542711097
Energy: 1.956918912704744
Energy: 2.328836196038002
Energy: 2.478141382465871
Energy: 2.5816863720676477
Energy: 1.9592501735911074
Energy: 1.959814107355425
Energy: 2.235390316992424
Energy: 2.587259329177844
Energy: 2.3538518159322304
Energy: 2.588362898420558
Energy: 2.578088421560436
Energy: 2.487658848564219
Energy: 2.5841170226814927
Energy: 2.5788932038601247
Energy: 1.983851962323913
Energy: 1.9883049903668373
Energy: 2.554585746394284
Energy: 2.622252237539765
Energy: 2.578451394061561
Energy: 1.9858379565786894
Energy: 1.9858119505624323
Energy: 1.983803816818584
Energy: 2.578216238768248
Energy: 2.4953696252772164
Energy: 2.4791429530598097
Energy: 1.985178300444513
Energy: 1.978240673312378
Energy: 1.975452281793006
Energy: 2.2362051717135816
Energy: 2.407411515628152
Energy: 2.238875350147605
Energy: 1.9744434565555466
Energy: 1.975276382170872
Energy: 1.974808653219663
Energy: 2.5551663099926727
Energy: 2.558470744064167
Energy: 2.2377786753327094
Energy: 1.9741676544931615
Energy: 1.9986715249123292
Energy: 2.2432281318079252
Energy: 2.2405468440126284
Energy: 2.1818254746331176
Energy: 2.2355295932567465
Energy: 2.240801724813947
Energy: 2.170475744390274
Energy: 2.2532016588536004
Energy: 2.3979436590546825
Energy: 2.428426158348779
Energy: 2.273144983742012
Energy: 2.245358020669195
Energy: 2.0261580221364754
Energy: 2.237632892702503
Energy: 2.397931311551005
Energy: 2.4295129003590143
Energy: 2.407229208165221
Energy: 1.997233492010496
Energy: 2.0173055332550405
Energy: 2.5252429226247357
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Energy: 2.4093125187263738
Energy: 2.523883857449945
Energy: 2.662435994714815
Energy: 2.5276623923516643
Energy: 2.1494633550002917
Energy: 2.1045508123941263
Energy: 2.52397066019096
Energy: 2.52602828802851
Energy: 2.004012964820834
Energy: 2.525368301317575
Energy: 2.0544386830990664
Energy: 2.050317926595147
Energy: 2.0530717680826895
Energy: 2.5232634384643444
Energy: 1.9976129550425
Energy: 2.4965695894278697
Energy: 2.0679819254810443
Energy: 2.034113153648686
Energy: 2.0482209845814032
Energy: 1.9978139393949648
Energy: 2.472578104680432
Energy: 2.5021493518962195
Energy: 2.053194116149911
Energy: 2.0761510984565548
Energy: 2.053176606024231
Energy: 2.4956923008255933
Energy: 1.9970713750672682
Energy: 2.500097845624
Energy: 2.4948273599000106
Energy: 2.3584448820202386
Energy: 2.5029543240571788
Energy: 2.4953124707273453
Energy: 1.9746239051396013
Energy: 2.5264259296150833
Energy: 2.5841976206993276
Energy: 2.623357845487574
Energy: 2.520614684955273
Energy: 1.9744833567953972
Energy: 1.9741952361233408
Energy: 1.9729918190102407
Energy: 2.494704419211711
Energy: 2.3578822308120113
Energy: 2.5031725309535036
Energy: 1.973663918154015
Energy: 1.9925408654003238
Energy: 1.990260778862858
Energy: 2.330193643763156
Energy: 2.3538922025255817
Energy: 1.9942779928192165
Energy: 1.9891415216242918
Energy: 1.9887880242348128
Energy: 1.9887936779941837
Energy: 2.5551187072533037
Energy: 2.557370147364915
Energy: 2.3286175792794372
Energy: 1.9888299531360898
Energy: 2.319546219865351
Energy: 2.3331821727553996
Energy: 2.3273086955035396
Energy: 2.1781921625879788
Energy: 2.327453169547109
Energy: 2.328765003105998
Energy: 2.181775695122578
Energy: 2.3423447517559293
Energy: 2.332767803932032
Energy: 2.3503525263057785
Energy: 2.326480904091984
Energy: 2.364912422987362
Energy: 2.3186517661525015
Energy: 2.3365019329124066
Energy: 2.326333583306278
Energy: 2.3534118649779248
Energy: 2.3379524700635184
Energy: 2.3292619804038934
Energy: 2.3210168306799086
Energy: 2.3290221908853885
Energy: 2.3326915987825343
Energy: 2.36740715998539
Energy: 2.3426221483257303
Energy: 2.4153584605539415
Energy: 2.781456449047025
Energy: 2.3279695694245257
Energy: 2.339011632563081
Energy: 2.0341228959951745
Energy: 2.3307350164715697
Energy: 2.4464058767381287

minimum gb energy = 1.956918912704744 eV
minimum distance =  2.38581726172738 Angstroms
sigma value = 43


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

Energy: 2.908867204077745
Energy: 2.570848360934064
Energy: 2.0711830423759
Energy: 2.0706619560287134
Energy: 2.0634869421110844
Energy: 2.54853887283551
Energy: 2.060336962144143
Energy: 2.2570202535145993
Energy: 1.955978356219978
Energy: 1.9575890199195825
Energy: 1.9546343466506142
Energy: 2.2573738160113193
Energy: 2.247913675499244
Energy: 2.4799889098399848
Energy: 1.945881946318978
Energy: 1.9469239114654988
Energy: 1.9440635467329235
Energy: 2.254550363922945
Energy: 2.2542070765888904
Energy: 2.488165696313136
Energy: 1.9472465828213212
Energy: 1.9480955919109415
Energy: 2.260570821573718
Energy: 2.4909395463696566
Energy: 2.248780860291515
Energy: 2.481655496779948
Energy: 2.4798478757142695
Energy: 2.034713576874849
Energy: 2.4825719764422813
Energy: 2.4847476919719074
Energy: 1.8712453404571727
Energy: 1.8770502288975246
Energy: 2.4892449168637487
Energy: 2.484919191435314
Energy: 2.481089621899924
Energy: 1.873657364444753
Energy: 1.8770770112995172
Energy: 1.8729753738876196
Energy: 2.4820913672387217
Energy: 1.9458065451153637
Energy: 2.4829558966879666
Energy: 1.8740008911824206
Energy: 1.878818166617
Energy: 1.8701195362735283
Energy: 2.481324926800269
Energy: 2.131850568373617
Energy: 2.2394973486130194
Energy: 1.8719839158008063
Energy: 1.8702185575604289
Energy: 1.8743517131121974
Energy: 2.4806419325531306
Energy: 2.527466103394785
Energy: 2.4796292488856313
Energy: 1.872986636604401
Energy: 2.252160031313702
Energy: 2.4839356761618183
Energy: 2.481723154800004
Energy: 1.950745769930113
Energy: 2.4832219558010835
Energy: 2.4850245055465465
Energy: 2.4845869907699525
Energy: 2.4945116060499166
Energy: 1.9432267531211607
Energy: 1.9431280658912333
Energy: 2.4840018069264778
Energy: 2.4582515816897543
Energy: 2.249181004453029
Energy: 2.481056058221241
Energy: 1.9447712107405897
Energy: 1.9437312945807073
Energy: 1.9433833246626748
Energy: 2.260267743224977
Energy: 2.2772554390964053
Energy: 2.2560843995242355
Energy: 1.9543066221842114
Energy: 1.9541334364589906
Energy: 1.9503020570268585
Energy: 2.258669340190052
Energy: 2.690400216631317
Energy: 2.255836812818689
Energy: 1.956200033096824
Energy: 1.9548721692346926
Energy: 2.25596532818121
Energy: 2.480310098934845
Energy: 1.940213401286121
Energy: 2.2565072871428664
Energy: 2.2640591944362245
Energy: 2.2517072437704004
Energy: 2.2532670607309733
Energy: 2.25865552103821
Energy: 2.250669117458545
Energy: 2.2549554841525143
Energy: 2.263531359600976
Energy: 2.251236576907884
Energy: 2.2532151537759386
Energy: 2.254866839482646
Energy: 2.2498045729764526
Energy: 2.254337688085083
Energy: 2.2540094826999004
Energy: 2.2472124032630867
Energy: 2.255963304545587
Energy: 2.2573566320669154
Energy: 2.248280963975641
Energy: 2.2577987181702004
Energy: 2.2575585956927977
Energy: 2.2514934339830783
Energy: 2.25471093872129
Energy: 2.257157505829641
Energy: 2.0711197982772953
Energy: 2.0672961259562186
Energy: 2.5673375097409155
Energy: 2.5470988957651786
Energy: 2.255601683793222
Energy: 2.0673450187212628
Energy: 1.96109585294278
Energy: 1.9554724199957976
Energy: 2.2580232692141293
Energy: 2.27526059604409
Energy: 2.2549324086490836
Energy: 1.9554043546076048
Energy: 1.94546512481059
Energy: 1.9450481234942323
Energy: 2.4817620409010135
Energy: 2.248407956728135
Energy: 2.266562075834341
Energy: 1.9443432761631938
Energy: 1.9472265177386838
Energy: 1.9443170228544149
Energy: 2.488941220373502
Energy: 2.514503332889475
Energy: 2.4862138395474394
Energy: 1.9482191727616462
Energy: 2.032203305977945
Energy: 2.4819343714557394
Energy: 2.4889957906323357
Energy: 2.2515135161596684
Energy: 2.479600705459592
Energy: 2.4832239385423263
Energy: 2.4869861501158184
Energy: 2.481075363580938
Energy: 1.875007510832312
Energy: 1.8709439235501277
Energy: 2.4816322100476915
Energy: 2.488992127532242
Energy: 1.9470680003037386
Energy: 2.4832819358807443
Energy: 1.8740520030353447
Energy: 1.8790050894783472
Energy: 1.8716040635130944
Energy: 2.482050926363051
Energy: 2.1340010584000475
Energy: 2.4809508098182
Energy: 1.8720092492001397
Energy: 1.8749682624428166
Energy: 1.8701353938291074
Energy: 2.124861679095161
Energy: 2.684400549645654
Energy: 2.480992492570969
Energy: 1.8737047439724583
Energy: 1.8710600335229661
Energy: 2.2401094342782493
Energy: 2.4861449527006765
Energy: 2.18312804182254
Energy: 2.480841619367533
Energy: 2.489053755459497
Energy: 2.2549024978389727
Energy: 2.4812068662445155
Energy: 2.48112521946934
Energy: 1.9425440041773328
Energy: 1.9464020056799738
Energy: 2.4963407800215536
Energy: 2.4830961905026205
Energy: 2.4922784018656743
Energy: 1.943282733227893
Energy: 1.9470621841862878
Energy: 1.943774354071318
Energy: 2.4803042385919607
Energy: 2.248456643042062
Energy: 2.482650062165858
Energy: 1.9453234911358297
Energy: 1.956612948138489
Energy: 1.9504963277803637
Energy: 2.2565460670054396
Energy: 2.2781162557726167
Energy: 2.255153748638878
Energy: 1.9553248867696786
Energy: 1.9541324084390936
Energy: 1.955980600835323
Energy: 2.479515854806231
Energy: 2.5191801150969644
Energy: 2.255499479129012
Energy: 1.9562687588020562
Energy: 2.2488365450862955
Energy: 2.255775634164068
Energy: 2.259054774082786
Energy: 1.9400460069009413
Energy: 2.255679480633978
Energy: 2.2594701180985757
Energy: 2.020728290264526
Energy: 2.2537275298893658
Energy: 2.2546530515544005
Energy: 2.2508128684705575
Energy: 2.255531302735079
Energy: 2.2574460369261584
Energy: 2.2466241303410985
Energy: 2.2540216353927716
Energy: 2.262597633675687
Energy: 2.2526585976858104
Energy: 2.254448071778287
Energy: 2.2546837226610563
Energy: 2.2532925762767264
Energy: 2.2565559448092936
Energy: 2.2635373695759844
Energy: 2.251570514220277
Energy: 2.2535970242218997
Energy: 2.2566209912171185

minimum gb energy = 1.8701195362735283 eV
minimum distance =  2.37208906663367 Angstroms
sigma value = 81


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

Energy: 1.7741318144542595
Energy: 1.7755942752121536
Energy: 1.7898589848485227
Energy: 1.800167475538435
Energy: 2.414665542598497
Energy: 1.7737846880886357
Energy: 1.775459876437617
Energy: 1.9979073212026668
Energy: 1.7899148123225168
Energy: 1.788238133147796
Energy: 1.7909079199691014
Energy: 1.9979394775522914
Energy: 1.9996840078015228
Energy: 1.9982470782222985
Energy: 1.7923418019747304
Energy: 1.7985542347413155
Energy: 1.7920510343065066
Energy: 1.9979851518159126
Energy: 1.997724851275387
Energy: 1.9977295752384954
Energy: 1.7944601421576765
Energy: 1.792782057176195
Energy: 1.9980411118103418
Energy: 1.9985395281369667
Energy: 1.9981253211828036
Energy: 1.9970145470264977
Energy: 1.791497010527916
Energy: 1.77490962515093
Energy: 2.00228681720993
Energy: 1.9982296467387302
Energy: 1.7920938156361301
Energy: 1.7939569970346196
Energy: 1.7751716333317518
Energy: 1.7779729900814691
Energy: 1.9987563969529063
Energy: 1.793850650867729
Energy: 1.8078349723684775
Energy: 1.7938602347071797
Energy: 1.998043583132475
Energy: 1.7928333453082854
Energy: 2.0042591057609704
Energy: 1.790037612352969
Energy: 1.8024446143251407
Energy: 1.7910634830987118
Energy: 1.9991909231995897
Energy: 1.999583121970495
Energy: 2.0023526403575382
Energy: 1.7914265403837983
Energy: 1.794801700926525
Energy: 1.7945433092872325
Energy: 1.9982565697013723
Energy: 1.9977762955315421
Energy: 1.998824917486883
Energy: 1.7949411522509882
Energy: 1.774551831410466
Energy: 1.9974882815561825
Energy: 1.9989988798983982
Energy: 1.9980120563509436
Energy: 2.00131470259512
Energy: 1.7921289040561492

minimum gb energy = 1.7737846880886357 eV
minimum distance =  2.47735006802396 Angstroms
sigma value = 3


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

Energy: 2.743157686055874
Energy: 2.1740811872163612
Energy: 2.175806808860214
Energy: 2.039056311740034
Energy: 2.1735493747751136
Energy: 1.9137027380503728
Energy: 2.273430868848924
Energy: 2.0443277009531564
Energy: 2.171290725604622
Energy: 2.1834751741366794
Energy: 2.049150964492417
Energy: 2.3082464467660944
Energy: 2.172156119846898
Energy: 1.9153098834798417
Energy: 2.181083208118234
Energy: 2.1745805120191646
Energy: 2.045387520974421
Energy: 2.17633657509981
Energy: 2.1814510797974105
Energy: 2.183616021600388
Energy: 2.1732496867335134
Energy: 2.1723250086658727
Energy: 1.91629332589812
Energy: 2.1839280558772702
Energy: 2.193177598516905
Energy: 2.175604106332258
Energy: 2.4292741819539896
Energy: 2.4781810270107476
Energy: 2.1844645608656172
Energy: 2.171448257086379
Energy: 2.4442044117278807
Energy: 2.602941615652401
Energy: 1.8689237588872378
Energy: 1.8714954621006266
Energy: 2.4295306787760835
Energy: 2.438917607050084
Energy: 2.500804368999491
Energy: 2.1789868423864744
Energy: 2.4319534356870096
Energy: 2.178505025186495
Energy: 2.4292726236200077
Energy: 2.1731043200077567
Energy: 2.504180361814082
Energy: 2.179007207580848
Energy: 1.9286425037577508
Energy: 1.9277462454519085
Energy: 1.9299641119368909
Energy: 2.1766589836789785
Energy: 2.523141244770671
Energy: 1.9337811248368906
Energy: 1.9254913719329014
Energy: 1.9347882780630634
Energy: 1.9330460179105575
Energy: 2.515883270657419
Energy: 2.5169350613448467
Energy: 2.23190069594276
Energy: 1.9196287941913608
Energy: 1.9182095552580192
Energy: 1.9197613858497597
Energy: 1.9746539481548555
Energy: 2.7094615293343116
Energy: 1.9742115334937662
Energy: 2.703376385907546
Energy: 2.493248887740385
Energy: 2.343044038197039
Energy: 2.048762273359948
Energy: 2.5156182762354726
Energy: 2.207780970675231
Energy: 1.918594481627425
Energy: 2.1926294754585194
Energy: 1.9202332160040596
Energy: 2.5729668422888095
Energy: 1.9756605527986666
Energy: 1.9790331063354156
Energy: 1.9186478127216784
Energy: 2.1899690227643576
Energy: 2.599724462743502
Energy: 1.9773750368221223
Energy: 1.9726358335059009
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Energy: 2.1992800163405075
Energy: 2.494777307991527
Energy: 1.980079965533978
Energy: 1.9747130329739055
Energy: 1.9787496913048033
Energy: 1.8471083876770307
Energy: 1.9316502539229414
Energy: 1.941768729790263
Energy: 2.493388462069741
Energy: 1.9790007249381103
Energy: 2.368954800901263
Energy: 1.9340894579501995
Energy: 1.9330154929511925
Energy: 1.9348520945884937
Energy: 1.935990935735701
Energy: 2.3860708907110735
Energy: 2.6376370150652817
Energy: 2.6234908998233855
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Energy: 1.9333614128329826
Energy: 1.8426785894468534
Energy: 2.6441013934401854
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Energy: 2.1508788060620065
Energy: 1.9327939731672679
Energy: 1.8435487745602872
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Energy: 2.182013265385182
Energy: 1.9318685101076674
Energy: 1.9391824077333597
Energy: 1.9317573989520982
Energy: 2.2481408970557375
Energy: 2.248042746819907
Energy: 2.2540797668861132
Energy: 1.9325853655824166
Energy: 2.148987894557716
Energy: 2.184757563834359
Energy: 2.2399278934179265
Energy: 2.239154979405853
Energy: 2.2437427793935965
Energy: 1.9827420128912208
Energy: 2.14684800900873
Energy: 2.250245178462828
Energy: 2.240063324722502
Energy: 2.238783584625726
Energy: 2.2431989287063296
Energy: 1.8693845712104744
Energy: 2.3547979030776798
Energy: 2.462112379182605
Energy: 2.2473395649520764
Energy: 2.5106336010457455
Energy: 2.236270942169052
Energy: 2.503691135104506
Energy: 2.4346721506808695
Energy: 2.503851660433705
Energy: 2.239590225023814
Energy: 2.523502345276299
Energy: 2.2425533627326275
Energy: 1.9209365654419006
Energy: 1.9196589123642587
Energy: 2.174438814611854
Energy: 2.2861912066119814
Energy: 2.5104721231337455
Energy: 2.2006965938012004
Energy: 1.9197384779835789
Energy: 1.921793268559992
Energy: 1.9219435992227023
Energy: 2.2426710247678088
Energy: 2.510967140365983
Energy: 1.9327495072194356
Energy: 1.9225712307895784
Energy: 1.9308952569986348
Energy: 1.9232713567759616
Energy: 2.1435287100615663
Energy: 2.7160689511031824
Energy: 1.9104119579014152
Energy: 1.9254397586202014
Energy: 1.9250721165727112
Energy: 1.9353040804161445
Energy: 2.0490752686608524
Energy: 2.5134576700945335
Energy: 1.909715638725545
Energy: 2.23932427544098
Energy: 2.2966547709146745
Energy: 2.2366706872406947
Energy: 1.9095410109227484
Energy: 1.9114547311470105
Energy: 1.9143860034610565
Energy: 1.9150482614599298
Energy: 1.9266212103263036
Energy: 2.2368148812119317
Energy: 1.9123913351838493
Energy: 1.9142266541505941
Energy: 1.91042052157566
Energy: 2.1441183343374632
Energy: 2.5598808735554432
Energy: 1.9221180585822812
Energy: 1.9099412941464768
Energy: 1.9162312668238277
Energy: 1.9146922330608758
Energy: 2.176101700493238
Energy: 2.5591553786641787
Energy: 2.1885010149647255
Energy: 1.9135289894870258
Energy: 1.9155300501110812
Energy: 1.9210885771204458
Energy: 2.1778594530724766
Energy: 2.1844636858339674
Energy: 2.1795517705394425
Energy: 1.917850266401765
Energy: 2.270038151078473
Energy: 2.1890546491589147
Energy: 2.1725441351765324
Energy: 2.5621325702783975
Energy: 2.0478814756002546
Energy: 2.3154318034547914

minimum gb energy = 1.8426785894468534 eV
minimum distance =  2.37239908104045 Angstroms
sigma value = 67


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

Energy: 2.496747384690292
Energy: 2.9413345280535568
Energy: 1.8658875025399027
Energy: 2.3074691390301862
Energy: 2.1873175477770532
Energy: 1.8805318277606309
Energy: 2.4759932152130157
Energy: 2.001949262371118
Energy: 2.17017801811506
Energy: 2.1688219579192003
Energy: 1.8592753591980016
Energy: 2.3901036993706763
Energy: 2.17898276251115
Energy: 2.0096651176277844
Energy: 2.199846339246861
Energy: 2.1750173645228412
Energy: 1.8615393119645527
Energy: 2.180114293579948
Energy: 2.186875434967182
Energy: 2.1996733624762346
Energy: 1.8598137100595804
Energy: 2.186496266140847
Energy: 2.0096925091930093
Energy: 2.2035990666858085
Energy: 2.178816337921597
Energy: 2.172298206473791
Energy: 2.3026518501606548
Energy: 2.178449446038527
Energy: 2.197645440491441
Energy: 2.1795281198051777
Energy: 2.505360716175909
Energy: 2.3347432218602377
Energy: 2.1988051495973973
Energy: 2.1834876909677194
Energy: 2.330192130951871
Energy: 2.5140758774412286
Energy: 2.4751017170780623
Energy: 2.195713653551881
Energy: 2.301428830978936
Energy: 2.1766345726982275
Energy: 2.3080990237952412
Energy: 2.1782758639384734
Energy: 2.47929556936969
Energy: 2.1946467414790902
Energy: 1.8614912900299851
Energy: 1.8625671837288587
Energy: 1.8599493002830756
Energy: 2.517500738747284
Energy: 2.505783916763113
Energy: 1.8645703815618064
Energy: 1.8716329846024011
Energy: 1.866917429841027
Energy: 1.8624482921512253
Energy: 2.5197782972338043
Energy: 2.5241721092720755
Energy: 2.0178825316263453
Energy: 1.8643862159182587
Energy: 1.862626448473783
Energy: 1.8588173409736988
Energy: 2.173680512682047
Energy: 2.506391914018171
Energy: 2.196600324959837
Energy: 2.414260930796245
Energy: 2.1814909101910294
Energy: 1.8634375276043922
Energy: 2.206274397841421
Energy: 2.509738591644111
Energy: 2.328012626626452
Energy: 1.8569252791339002
Energy: 1.8587425030670992
Energy: 1.8629417114194944
Energy: 2.692840695518884
Energy: 2.1846326325889813
Energy: 2.175999613866327
Energy: 1.859483479271741
Energy: 1.8600094519611114
Energy: 2.002319747165294
Energy: 2.179284881871099
Energy: 2.1732928814093797
Energy: 2.221105491736538
Energy: 2.033127428358704
Energy: 2.1821428595450487
Energy: 1.863786199899341
Energy: 2.2008478807252403
Energy: 2.170535432349333
Energy: 1.8605127762819256
Energy: 2.1923155154665315
Energy: 2.1730764786912684
Energy: 1.860494898982072
Energy: 2.1749788862220503
Energy: 2.1776894487290956
Energy: 2.198414149818858
Energy: 2.209609851004786
Energy: 2.1769244238740906
Energy: 2.1980391382023585
Energy: 2.17402967464024
Energy: 2.5017665119248123
Energy: 2.3272040813000885
Energy: 2.184551304637537
Energy: 2.190322081924837
Energy: 2.1814526206217986
Energy: 2.1975527450522625
Energy: 2.518996966704541
Energy: 2.3102371046316623
Energy: 2.180073460805398
Energy: 2.5149586093047547
Energy: 2.1737450115878243
Energy: 1.8595410346416985
Energy: 2.1760413226251707
Energy: 2.0245096126988114
Energy: 2.5168179406689126
Energy: 2.4971422988915237
Energy: 2.1989832455886065
Energy: 2.174278922655754
Energy: 1.8586064442957704
Energy: 1.8579980087572572
Energy: 2.1786105680233967
Energy: 2.52349154424405
Energy: 1.8683983056548183
Energy: 1.8642824146502852
Energy: 1.8593954832287054
Energy: 1.860702962938573
Energy: 2.022057739446792
Energy: 2.511949241507602
Energy: 1.8656193406722916
Energy: 1.866126391352805
Energy: 1.8634953810397008
Energy: 1.8585799033359662
Energy: 2.2145679287282887
Energy: 2.1814434331804
Energy: 1.8667180114633033
Energy: 1.8644637131875914
Energy: 2.4764061210815447
Energy: 1.860169690854256
Energy: 2.1728458395474473
Energy: 2.51115453543327
Energy: 1.860026782246094
Energy: 1.8657783420932623

minimum gb energy = 1.8569252791339002 eV
minimum distance =  2.45896190770363 Angstroms
sigma value = 33


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

Energy: 2.9194257664466248
Energy: 1.8672031851353044
Energy: 2.3955525746378594
Energy: 2.5489686901190614
Energy: 2.3460654398677336
Energy: 2.187962483598531
Energy: 2.1280767888843783
Energy: 2.1509120583277284
Energy: 2.324365324517131
Energy: 2.324443567200717
Energy: 2.3256383743911693
Energy: 2.1440222419667063
Energy: 1.9914224865800372
Energy: 2.142587856520026
Energy: 2.4154413280253446
Energy: 2.1650953334492153
Energy: 2.31170940095411
Energy: 1.9840373656914607
Energy: 2.019586128939689
Energy: 2.029996080677101
Energy: 2.167257442877613
Energy: 2.3236169770292
Energy: 1.8538392271417348
Energy: 2.0523972427593047
Energy: 1.986547691649353
Energy: 1.9848354203420102
Energy: 2.315380315882687
Energy: 2.3217676442866004
Energy: 1.9936493194472449
Energy: 1.9862941552758322
Energy: 2.3237241578675594
Energy: 2.462084436186182
Energy: 1.9942657241718549
Energy: 2.318408801479862
Energy: 1.9915989401037872
Energy: 2.2293443565361515
Energy: 2.4991605823531104
Energy: 1.9922853679355272
Energy: 2.306545304335633
Energy: 2.322329837207068
Energy: 2.3151265925818834
Energy: 2.1289401899264115
Energy: 2.499854671460144
Energy: 1.9919218779927397
Energy: 1.9827143152618407
Energy: 1.9817848074146378
Energy: 1.9829211414111563
Energy: 2.201106659504731
Energy: 2.3226174855727497
Energy: 2.0195593629228115
Energy: 1.9986662233075454
Energy: 1.9937917133878633
Energy: 1.9927765533532387
Energy: 2.321078151395977
Energy: 2.323393564109583
Energy: 2.160429690025228
Energy: 1.9878477071407123
Energy: 1.987327985105739
Energy: 1.8414410194207937
Energy: 2.321912194165053
Energy: 2.3202228308327637
Energy: 2.4137811525144093
Energy: 2.140461613498242
Energy: 1.9825559448351053
Energy: 2.415362687926287
Energy: 2.420865679293033
Energy: 2.322757295607941
Energy: 2.320117107180357
Energy: 1.8428922181694303
Energy: 2.5402253940753123
Energy: 1.8425405299738835
Energy: 2.3213877889181362
Energy: 2.5127821007565427
Energy: 2.3220204813256067
Energy: 1.8424033780600053
Energy: 2.364310230262074
Energy: 1.84625538557186
Energy: 2.5107584146674666
Energy: 2.4989593050045786
Energy: 2.412900397729446
Energy: 1.984495042754541
Energy: 1.982678379621256
Energy: 2.303067894973965
Energy: 2.6330335452925167
Energy: 2.5023118325921923
Energy: 1.8445510226880721
Energy: 1.841797393102321
Energy: 1.841725575959247
Energy: 1.8436172266889708
Energy: 2.32223274930887
Energy: 2.5095426187094882
Energy: 1.856933395488742
Energy: 1.8526646966296865
Energy: 1.857094634568822
Energy: 1.8532046210896325
Energy: 2.5077319102683724
Energy: 2.3182601454528515
Energy: 2.4826018505558904
Energy: 1.841467955381849
Energy: 1.842870532322654
Energy: 1.8423164484473002
Energy: 2.419765152764841
Energy: 2.5084925708708283
Energy: 2.3255524465894974
Energy: 2.1465190211613656
Energy: 1.98332810336762
Energy: 2.1490133260735775
Energy: 2.322480885094108
Energy: 2.5095079125517565
Energy: 2.6335108218149523
Energy: 1.8517496978761026
Energy: 2.156909509526811
Energy: 1.856629103777789
Energy: 2.4441471349342034
Energy: 2.324837725317019
Energy: 2.4318814171957985
Energy: 2.1521374142021146
Energy: 2.1284316173319677
Energy: 2.1565669672798875
Energy: 2.3223862974322933
Energy: 2.175101548873991
Energy: 2.40957722084097
Energy: 1.9888036330164203
Energy: 1.9875509858881963
Energy: 2.007330682417473
Energy: 2.4143167648105037
Energy: 2.322212930410949
Energy: 2.1473994814257353
Energy: 1.9947255617960231
Energy: 2.010908941627539
Energy: 2.0263198583576787
Energy: 2.32348484871675
Energy: 2.322894232260047
Energy: 1.9898936953746917
Energy: 1.9836963140280837
Energy: 1.9874120755021227
Energy: 1.9929469150855732
Energy: 2.5425836490828186
Energy: 2.5064218517055123
Energy: 2.0133020582250793
Energy: 1.9843144809210083
Energy: 1.9856844892868672
Energy: 2.142541780523075
Energy: 2.7568298978484562
Energy: 2.322697381396751
Energy: 2.3055565553633683
Energy: 1.9837167903320014
Energy: 2.500416964005434
Energy: 1.9933146143599507
Energy: 2.5408501705638358
Energy: 1.9824619706649447
Energy: 1.9834942104632771
Energy: 2.215938967972919
Energy: 2.497840558583835
Energy: 2.0034054927904315
Energy: 1.98211118065883
Energy: 1.984985914156472
Energy: 2.0007370180699495
Energy: 2.0223912074778383
Energy: 2.3210613597504905
Energy: 2.0222437341877377
Energy: 1.9839852144038452
Energy: 1.9880502135398233
Energy: 1.9874221835523176
Energy: 2.166952248861427
Energy: 2.322211135084481
Energy: 2.1448424076564594
Energy: 1.9873783661375297
Energy: 1.982912324092062
Energy: 2.012370115486796
Energy: 2.4252495642886993
Energy: 2.3204728384468987
Energy: 2.415035713901177
Energy: 1.9834545150337464
Energy: 2.3194510804060458
Energy: 1.8452508831746355
Energy: 2.31926853814497
Energy: 2.32233961829897
Energy: 2.324545254190739
Energy: 1.9809799556335324
Energy: 2.3186657269513296
Energy: 1.84633713262701
Energy: 2.6331424299216564
Energy: 2.5106748932281855
Energy: 2.3601295484347924
Energy: 1.985114673364099
Energy: 1.9828910469056262
Energy: 2.3019961961381177
Energy: 2.4181926710891135
Energy: 2.5001782445786653
Energy: 2.412103437279226
Energy: 1.9839341432276416
Energy: 1.8435202071681163
Energy: 1.8431816183920169
Energy: 2.451635761173979
Energy: 2.500022578405246
Energy: 1.841310770999711
Energy: 1.842222232635424
Energy: 1.8540094967792229
Energy: 1.853019956340022
Energy: 1.8571926324337857
Energy: 2.509170839885767
Energy: 1.8564431737999674
Energy: 1.8520294088276097
Energy: 1.8455594967970472
Energy: 1.8429643174293466
Energy: 2.4795422295545215
Energy: 2.329773687759498
Energy: 1.8403651837527681
Energy: 1.8408211997570547
Energy: 1.984859155598297
Energy: 2.1453983539012857
Energy: 2.3992822100902984
Energy: 2.509470716030538
Energy: 2.4811481700637716
Energy: 1.983919373684617
Energy: 2.497504243186708
Energy: 1.8548271232734417
Energy: 2.6343060273950862
Energy: 2.508540850597742
Energy: 2.3511025831262455
Energy: 2.206551684599993

minimum gb energy = 1.8403651837527681 eV
minimum distance =  2.36372105400672 Angstroms
sigma value = 41


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

Energy: 2.7026381489457734
Energy: 2.625510073984856
Energy: 2.3409147853994425
Energy: 2.340358799352475
Energy: 2.3402514471154894
Energy: 2.628691046098561
Energy: 2.2480409127140124
Energy: 1.7881181932429324
Energy: 1.7743991970289736
Energy: 1.9718349068182577
Energy: 1.779557728350825
Energy: 1.9555907525458265
Energy: 1.9617233275146602
Energy: 1.7863674043990825
Energy: 1.7795332681826277
Energy: 1.6445624599593087
Energy: 1.7743211749238164
Energy: 1.9565451573049353
Energy: 1.9572729521443395
Energy: 2.170158180754202
Energy: 1.7787878703525226
Energy: 1.959288127165
Energy: 1.7841655217222463
Energy: 2.1537883319758633
Energy: 1.9614078346159096
Energy: 1.9599450202157398
Energy: 2.1651738421842883
Energy: 1.9603356948350223
Energy: 2.164438820882334
Energy: 1.9576268647974286
Energy: 1.9545460039094065
Energy: 1.959218857534067
Energy: 2.163020742051931
Energy: 1.9556622045835335
Energy: 2.152197257292425
Energy: 1.9553613028759882
Energy: 2.248165491753456
Energy: 2.1530198145214205
Energy: 2.5384935983063173
Energy: 1.9544112413662873
Energy: 2.1525269874462043
Energy: 2.2493379395250295
Energy: 2.2496788459822143
Energy: 2.171246335806082
Energy: 1.952477298500225
Energy: 2.3425428793966714
Energy: 1.9587704302623703
Energy: 2.6464424303788077
Energy: 1.9531822264909273
Energy: 1.7861515347097503
Energy: 1.7789143390512219
Energy: 1.6443517350580727
Energy: 1.782861915419732
Energy: 1.9551823781320072
Energy: 1.9812940849906289
Energy: 1.7866946901493324
Energy: 1.7787487377935935
Energy: 1.9905118373820672
Energy: 1.781698607597666
Energy: 1.9738443316956142
Energy: 1.9811909361842592
Energy: 2.1703201286595286
Energy: 1.7757318175155108
Energy: 1.9576435540536377
Energy: 2.152607518757101
Energy: 2.1602886713873346
Energy: 1.9519043233406892
Energy: 1.955524523712882
Energy: 1.7893102599915738
Energy: 1.9809733475851325
Energy: 1.7809486754590678
Energy: 1.9525274935384649
Energy: 1.952476854665426
Energy: 1.9564041505559235
Energy: 1.789974900523474
Energy: 1.9598427070586946
Energy: 1.7809771101902547
Energy: 1.9549572404402689
Energy: 2.2487384124912926
Energy: 2.169220278430578
Energy: 1.956469073384914
Energy: 2.3386207463048656
Energy: 1.9604252408458438
Energy: 2.6389547912187874

minimum gb energy = 1.6443517350580727 eV
minimum distance =  2.39666338532356 Angstroms
sigma value = 11


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

Energy: 3.2185585093690254
Energy: 2.040880008465742
Energy: 2.4062863836266
Energy: 2.410033633056911
Energy: 2.4051856594101046
Energy: 3.016009636295594
Energy: 2.0204530126396634
Energy: 2.272354745474256
Energy: 2.2221366669936233
Energy: 2.2208669884658634
Energy: 2.2918034792151167
Energy: 2.12158056556287
Energy: 2.036129806895737
Energy: 2.0289052209589613
Energy: 2.317725704270744
Energy: 2.2059481374387517
Energy: 2.3170543262668586
Energy: 2.0378112299961684
Energy: 2.035416865565377
Energy: 2.026758726023699
Energy: 2.284390506747071
Energy: 2.2356308353823664
Energy: 2.030414922982243
Energy: 2.0292618754861405
Energy: 2.0338967219023574
Energy: 2.058989927692203
Energy: 2.2824920763347554
Energy: 2.220735999459184
Energy: 2.057978053480811
Energy: 2.041147622019776
Energy: 2.0375594785258184
Energy: 2.274480041619299
Energy: 2.3224815902134495
Energy: 2.222734499507208
Energy: 2.3174138418727432
Energy: 2.037574963025518
Energy: 2.124726700415308
Energy: 2.2833962932038148
Energy: 2.2216407473114006
Energy: 2.2378688784653438
Energy: 2.223481604557205
Energy: 2.220415316769119
Energy: 2.12363067919588
Energy: 2.284406928086304
Energy: 2.1343995637399282
Energy: 2.1303571648002295
Energy: 2.2258647152598554
Energy: 2.2179075135924236
Energy: 2.037400127174699
Energy: 2.170264906540965
Energy: 2.290730462623139
Energy: 2.214586602118241
Energy: 2.2758017916627455
Energy: 2.0489855129778616
Energy: 2.1282897589554537
Energy: 2.122251783545966
Energy: 2.2755922527838326
Energy: 2.2144774293309006
Energy: 2.277251502294924
Energy: 2.1239703712835283
Energy: 2.1206725229145014
Energy: 2.2736231158018785
Energy: 2.269166106206594
Energy: 2.131631341559772
Energy: 2.283260897655932
Energy: 2.1218416876675255
Energy: 2.124006006357325
Energy: 2.282881202720755
Energy: 2.267050525375134
Energy: 2.1196442844685484
Energy: 2.2877775608832587
Energy: 2.123337574044719
Energy: 2.131311787742559
Energy: 2.2638068795023956
Energy: 2.1229430359552914
Energy: 2.1383745661064855
Energy: 2.122517579832357
Energy: 2.1308731915292443
Energy: 2.218515187951491
Energy: 2.277160556248226
Energy: 2.128655345778555
Energy: 2.1305518638459504
Energy: 2.1197366735349643
Energy: 2.293086459499575
Energy: 2.130161284762502
Energy: 2.2832061163362747
Energy: 2.1218982646056563
Energy: 2.0391599141739634
Energy: 2.2733797189988247
Energy: 2.222559800662491
Energy: 2.1329358533367175
Energy: 2.123525324001785
Energy: 2.4359157098751445
Energy: 2.2112021364497787
Energy: 2.4408220347338974
Energy: 2.122189839633834
Energy: 2.22093633607233
Energy: 2.2305073507517856
Energy: 2.2698643708954043
Energy: 2.0205526970593697
Energy: 2.2728505186078856
Energy: 2.2207363539213287
Energy: 2.2069026567662147
Energy: 2.31549328169894
Energy: 2.0270561542870924
Energy: 2.0351485610093785
Energy: 2.2746230386841004
Energy: 2.43693914790046
Energy: 2.222989140758874
Energy: 2.0294029131923503
Energy: 2.0280158317808112
Energy: 2.0553149140192137
Energy: 2.026302898095898
Energy: 2.2208939825826715
Energy: 2.2204504685159705
Energy: 2.0309774733213346
Energy: 2.0585235440881458
Energy: 2.0377763024265763
Energy: 2.061060860914381
Energy: 2.222088814077179
Energy: 2.221725837252646
Energy: 2.3170564362465047
Energy: 2.036465709326346
Energy: 2.0365207266160006
Energy: 2.2758281610921194
Energy: 2.7391052792627044
Energy: 2.226088277029659
Energy: 2.2237447940684643
Energy: 2.2700148939862554
Energy: 2.227520593307874
Energy: 2.288312673500024
Energy: 2.2213517369962705
Energy: 2.1370770157783374
Energy: 2.118576856266354
Energy: 2.3451280876711444
Energy: 2.216941108628725
Energy: 2.290244586223072
Energy: 2.133557348962141
Energy: 2.2152821616014666
Energy: 2.2716683437451626
Energy: 2.036817110382566
Energy: 2.0372535708440327
Energy: 2.268110293685927
Energy: 2.21422696082948
Energy: 2.2141994495698776
Energy: 2.2784663790880972
Energy: 2.128392425373015
Energy: 2.1284861844328313
Energy: 2.1162477775199315
Energy: 2.215676994118028
Energy: 2.130538178781707
Energy: 2.283413363289569
Energy: 2.122851253129975
Energy: 2.1206787436707875
Energy: 2.284402712830672
Energy: 2.1316910287182553
Energy: 2.120803310897743
Energy: 2.2842368609930372
Energy: 2.2855750439243874
Energy: 2.124548408639458
Energy: 2.1725240065917455
Energy: 2.12328867683434
Energy: 2.1222307984098077
Energy: 2.1241064720138536
Energy: 2.181968787610015
Energy: 2.130557101214887
Energy: 2.2627413190884518
Energy: 2.122346651420529
Energy: 2.1309402370064023
Energy: 2.1188904634145884
Energy: 2.2710895816033667
Energy: 2.2188096150569105
Energy: 2.2745578873309387
Energy: 2.1315063575288997
Energy: 2.0370763973838706
Energy: 2.12057614302878
Energy: 2.2219804621618446
Energy: 2.1300458613065585
Energy: 2.2735217535645793
Energy: 2.241724885742467
Energy: 2.211311193840586
Energy: 2.264053865491149
Energy: 2.1221506596379776
Energy: 2.1363852070794414
Energy: 2.1212810457511315
Energy: 2.432555218076914

minimum gb energy = 2.0204530126396634 eV
minimum distance =  2.38462372126681 Angstroms
sigma value = 57


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

Energy: 3.4546903322778024
Energy: 2.1581207652633263
Energy: 2.2391060170094117
Energy: 2.244678683084628
Energy: 2.2386938535057674
Energy: 3.089251443803909
Energy: 2.050315012326217
Energy: 2.224409352272531
Energy: 2.2216311703834304
Energy: 2.0879966367867335
Energy: 2.2359987017699186
Energy: 2.0805431440428097
Energy: 2.079119679778332
Energy: 2.1335642136396062
Energy: 2.193770262792572
Energy: 2.0508878456165167
Energy: 2.193264216172891
Energy: 2.0743756933818234
Energy: 2.0800494427149445
Energy: 2.1279612119052915
Energy: 2.2234073854665946
Energy: 2.0808518038645123
Energy: 2.16806690641093
Energy: 2.132415037501409
Energy: 2.0759145764756712
Energy: 2.1244623474324866
Energy: 2.228922252283038
Energy: 2.0762917673348893
Energy: 2.1242770147425225
Energy: 2.1340559933190986
Energy: 2.0723852875907243
Energy: 2.2188593081975356
Energy: 2.2206588270580996
Energy: 2.0754562538970935
Energy: 2.202266461757119
Energy: 2.075189674276525
Energy: 2.066707755930302
Energy: 2.223053630571687
Energy: 2.0804797026621653
Energy: 2.0788821473759627
Energy: 2.078020958765017
Energy: 2.2179853024560807
Energy: 2.066347873891179
Energy: 2.2010304343484672
Energy: 2.0736832165430377
Energy: 2.074184450291844
Energy: 2.0781201726893306
Energy: 2.223492608689878
Energy: 2.078231576358291
Energy: 2.074831667625299
Energy: 2.1979615247339654
Energy: 2.0515235049139897
Energy: 2.219129408584511
Energy: 2.0828171019107127
Energy: 2.074913055038158
Energy: 2.0785159071843835
Energy: 2.196923882661309
Energy: 2.0521072985136475
Energy: 2.21878490143998
Energy: 2.17166999137713
Energy: 2.0500256718410648
Energy: 2.200596649337454
Energy: 2.2197937397281673
Energy: 2.0715780209691306
Energy: 2.221415837946333
Energy: 2.2266305776142055
Energy: 2.058818729051895
Energy: 2.229009378499693
Energy: 2.124538101433256
Energy: 2.0780900393847435
Energy: 2.12548218048941
Energy: 2.2193232895914625
Energy: 2.0773437949806417
Energy: 2.1688215700270908
Energy: 2.1256235178160607
Energy: 2.07856671257748
Energy: 2.173984024486613
Energy: 2.079075060425371
Energy: 2.075176946712002
Energy: 2.196645399677839
Energy: 2.08116550772041
Energy: 2.0787412891042685
Energy: 2.223019732628387
Energy: 2.076059176091397
Energy: 2.0759350744997613
Energy: 2.077729500494422
Energy: 2.2220128585800976
Energy: 2.0758281032460233
Energy: 2.2281340626565713
Energy: 2.077472819183076
Energy: 2.079672693499047
Energy: 2.078579290435233
Energy: 2.127389382180462
Energy: 2.065417468248384
Energy: 2.125681713896383
Energy: 2.078400823079637
Energy: 2.0504466693032497
Energy: 2.0795310791349775
Energy: 2.078053481466535
Energy: 2.0737842756371654
Energy: 2.2325224526841225
Energy: 2.077613520404749

minimum gb energy = 2.0500256718410648 eV
minimum distance =  2.48946149129727 Angstroms
sigma value = 9


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

Energy: 3.900326193363017
Energy: 2.0983390588817055
Energy: 2.2348604658053985
Energy: 2.233665879021341
Energy: 2.41127454446303
Energy: 2.129146393659808
Energy: 1.9758068256286188
Energy: 2.3799140122260023
Energy: 2.0608890587860254
Energy: 2.056277406842147
Energy: 2.379719504240269
Energy: 2.0573629809082012
Energy: 2.0504220003879565
Energy: 2.0639131456282955
Energy: 2.522226524170406
Energy: 2.118426788621771
Energy: 2.035706268293507
Energy: 2.0632181029853194
Energy: 2.0630772723518205
Energy: 2.0685066935002245
Energy: 2.175914086356017
Energy: 2.0592485758686006
Energy: 2.3301922394249646
Energy: 2.0641241834841617
Energy: 2.1243823221480005
Energy: 2.180183383725588
Energy: 2.1825381414062925
Energy: 2.074457884942593
Energy: 2.1744340554985806
Energy: 2.3147079037822564
Energy: 2.0614767009102724
Energy: 2.172374937508134
Energy: 2.3205431058481896
Energy: 2.066878654278967
Energy: 2.330507029394453
Energy: 2.0403942522196274
Energy: 2.0550075075270975
Energy: 2.056614401887535
Energy: 2.0636642386618567
Energy: 2.0550352688783557
Energy: 2.0674065098908496
Energy: 2.3407217971906342
Energy: 2.055160707976416
Energy: 2.380733120605613
Energy: 2.058784882030973
Energy: 2.0503522033890964
Energy: 2.060150565330906
Energy: 2.0643038237389235
Energy: 2.0594967783717486
Energy: 2.0558611962362963
Energy: 2.381867934707274
Energy: 2.0507559878360575
Energy: 2.0639014342889856
Energy: 2.0566265895729763
Energy: 2.05219456227215
Energy: 2.0564006055379176
Energy: 2.327789876635439
Energy: 2.0343274517065493
Energy: 2.05885576137429
Energy: 2.052692255489598
Energy: 1.9776421734234377
Energy: 2.3796534171139903
Energy: 2.0560523954614855
Energy: 2.063543516843675
Energy: 2.0616176506783246
Energy: 2.1018690821238755
Energy: 1.9781418022060213
Energy: 2.3312276477878124
Energy: 2.0559120748767574
Energy: 2.052446752464739
Energy: 2.0655066331657195
Energy: 2.3099102596514447
Energy: 2.064496778457836
Energy: 2.063354548331676
Energy: 2.3797675743367783
Energy: 2.1154218000728857
Energy: 2.3783157062341096
Energy: 2.0518908236578137
Energy: 2.0624270521727572
Energy: 2.065393775067997
Energy: 2.3286849960342955
Energy: 2.114079672241487
Energy: 2.0449922989935683
Energy: 2.0648107933501403
Energy: 2.0608552857580036
Energy: 2.31964903199821
Energy: 2.152327734008848
Energy: 2.063282541044756
Energy: 2.179586528111702
Energy: 2.2910926994444307
Energy: 2.0676854985076254
Energy: 2.1895791658106085
Energy: 2.314110474270063
Energy: 2.2887429921530753
Energy: 2.1766610011937964
Energy: 2.0645286720594016
Energy: 2.060832369050586
Energy: 2.3281592924866144
Energy: 2.06571942430676
Energy: 2.0640130665338283
Energy: 2.0698543423617446
Energy: 2.0407467233175436
Energy: 2.0564847190118116
Energy: 2.0570202960945037
Energy: 2.060030023183493
Energy: 2.0546320859022096
Energy: 2.0630042655409824
Energy: 2.379632661911892
Energy: 2.0576263201981613
Energy: 2.055631917697566
Energy: 2.0652476160950406
Energy: 2.04891664532238
Energy: 2.3338923765491346
Energy: 2.0575752123859634
Energy: 2.0583855266710813
Energy: 2.0513281240973287
Energy: 2.0548444129386634
Energy: 2.051272815467732
Energy: 2.050803556729212
Energy: 2.054153141405338
Energy: 1.9763246824202039
Energy: 2.3793744425356946
Energy: 2.055665311775594
Energy: 2.0558667378072237
Energy: 2.0431912306618645
Energy: 2.057339430390707

minimum gb energy = 1.9758068256286188 eV
minimum distance =  2.45755614962448 Angstroms
sigma value = 27


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

Energy: 2.140428544442121
Energy: 2.00965039940888
Energy: 2.1982442673331297
Energy: 2.2022986838424132
Energy: 2.1979449093869183
Energy: 2.0108988976921536
Energy: 1.9707243040903515
Energy: 1.9736222770658145
Energy: 2.0072809701417382
Energy: 1.9745687674554007
Energy: 1.9755301217109305
Energy: 2.0082207099710154
Energy: 1.9836185609257468
Energy: 1.9815331049236868
Energy: 2.005725981779023
Energy: 1.9704458429079124
Energy: 1.981810539020371
Energy: 1.9825647765920107
Energy: 1.9791152635754108
Energy: 1.9748299571987245
Energy: 1.9735355240633756
Energy: 2.0016051057207265
Energy: 2.202823959230384
Energy: 1.9736004677684527
Energy: 1.969659410417778
Energy: 2.2141097789380253
Energy: 2.1437752111683506
Energy: 2.0034338931997335
Energy: 2.1451714712639456
Energy: 2.211875850593053
Energy: 1.9735014435623195
Energy: 2.2942224328885783
Energy: 2.142393856110389
Energy: 2.006207105982756
Energy: 2.1433702817286955
Energy: 1.974472311469785
Energy: 1.9734138429680117
Energy: 2.1465381906768024
Energy: 2.1446607521498655
Energy: 2.006450190737914
Energy: 2.1463060547236985
Energy: 2.205298368146908
Energy: 1.9726690162017133
Energy: 2.2138364108161994
Energy: 2.0052726723520644
Energy: 2.010168184315745
Energy: 2.221294102848981
Energy: 1.972770894097603
Energy: 1.9835725588589828
Energy: 1.9740646373802484
Energy: 1.9823383843404805
Energy: 2.003662779058256
Energy: 1.9822288321696848
Energy: 1.9849360128183642
Energy: 1.9818077401312053
Energy: 1.9828308215585009
Energy: 2.2080183444378694
Energy: 2.003565014069738
Energy: 1.9844532296909343
Energy: 1.9812628870314275
Energy: 1.9709518511460757
Energy: 2.008641918116813
Energy: 2.009264846241767
Energy: 2.0180186379556457
Energy: 2.008781571197224
Energy: 2.2624630779726127
Energy: 2.0022013981331686
Energy: 2.0090394956526643
Energy: 2.008332445985011
Energy: 1.9812001843812506
Energy: 2.00896501739689
Energy: 1.9720618651480353
Energy: 2.007360613724946
Energy: 1.982055706124952
Energy: 1.9897840234216904
Energy: 1.9692277772963207
Energy: 2.008921342317532
Energy: 2.006888390899607
Energy: 1.9821702502305525
Energy: 2.00948372956806
Energy: 1.973518904452362
Energy: 1.9753886330792674
Energy: 2.0092632030794575
Energy: 1.983531653358975
Energy: 1.970573422922638
Energy: 2.0115473814905647
Energy: 1.982584229380526
Energy: 1.9806325004658434
Energy: 1.981787952870344
Energy: 1.9712321234655708
Energy: 1.969713257354502
Energy: 2.2705371492097552
Energy: 1.9723580603860937
Energy: 1.9878500279853353
Energy: 1.9731967573684863
Energy: 1.9725444644932983
Energy: 2.0034721507124216
Energy: 2.144384179936488
Energy: 2.2154775113661147
Energy: 1.9701544633961265
Energy: 2.218409659413804
Energy: 2.0052952100695807
Energy: 2.004278103353065
Energy: 2.142767469208072
Energy: 2.1437098370829686
Energy: 1.9723655244954421
Energy: 2.148114365484856
Energy: 2.1472768178152073
Energy: 2.014849505734683
Energy: 2.143926471155017
Energy: 2.1487582927876776
Energy: 1.9747519725048137
Energy: 2.1447454688887695
Energy: 2.1469469031159187
Energy: 2.0030209896600075
Energy: 2.142335929027013
Energy: 2.502838080639455
Energy: 1.9721235286756593
Energy: 2.2185108840459575
Energy: 2.0054094505034405
Energy: 2.002573585821796
Energy: 2.207714600814422
Energy: 1.9740153434213368
Energy: 1.9870670442063216
Energy: 1.9762792669029485
Energy: 2.004037498612824
Energy: 1.9781491342268405
Energy: 2.008037362458471
Energy: 1.983409110527525
Energy: 1.9817887081984529
Energy: 1.9766316898627168
Energy: 1.9824238787050228
Energy: 2.0019872687251246
Energy: 2.010536098849889
Energy: 1.9726461444535979
Energy: 2.000195743425947
Energy: 2.004888322513638
Energy: 2.0034416625728007
Energy: 1.9816501553448618
Energy: 1.983534581294121
Energy: 2.005879378600379
Energy: 1.9732112265271653
Energy: 2.0104741133008432
Energy: 1.982748876773146
Energy: 1.9768488816009278
Energy: 2.2064247339269003
Energy: 1.9836423694007326
Energy: 2.0065396637368766
Energy: 2.0092481139191416
Energy: 2.005009876207812

minimum gb energy = 1.9692277772963207 eV
minimum distance =  2.47895832535482 Angstroms
sigma value = 19


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

Energy: 2.283703511282341
Energy: 2.046222429543299
Energy: 2.214509519446409
Energy: 2.2158330320051194
Energy: 2.218604114583432
Energy: 2.044866358726799
Energy: 1.867890653445314
Energy: 1.9568257463009036
Energy: 1.9563636681021928
Energy: 1.9403066290678006
Energy: 1.9537859157189172
Energy: 1.9557013967062542
Energy: 1.9602744463878408
Energy: 1.9609151404393572
Energy: 1.9153404581044573
Energy: 2.0027647186520148
Energy: 1.99593710805223
Energy: 1.9602757951057697
Energy: 1.9467811024109019
Energy: 1.9438848547603005
Energy: 1.9440197707328581
Energy: 1.9457282022011695
Energy: 1.9452178044275816
Energy: 1.9452366517933655
Energy: 1.8701836973269548
Energy: 2.0382216428209055
Energy: 2.0404290125569187
Energy: 1.9541204716799674
Energy: 2.0409458894136807
Energy: 2.042122065070306
Energy: 1.9439925172574712
Energy: 2.3115057237810377
Energy: 1.9445637476352584
Energy: 1.9428369299474544
Energy: 2.0393428482714784
Energy: 1.9443204449434817
Energy: 1.9433827331316351
Energy: 2.2558010542947198
Energy: 2.2593257124749684
Energy: 1.946685884850059
Energy: 2.2620930782866733
Energy: 2.284859585613536
Energy: 1.9431991462016076
Energy: 2.283550092966104
Energy: 1.9439813019735928
Energy: 1.9466647110053366
Energy: 2.235973932118449
Energy: 1.945455034158827
Energy: 1.952836047124917
Energy: 2.039774681536128
Energy: 2.039512307743562
Energy: 1.9458058087084433
Energy: 2.0368983756955785
Energy: 2.040513617976863
Energy: 1.946713142065231
Energy: 2.040423149041894
Energy: 1.9461093219695442
Energy: 1.947464946666409
Energy: 1.9451075056481915
Energy: 1.9541093759382073
Energy: 1.9404285619686934
Energy: 1.9452473212194115
Energy: 1.963597879099363
Energy: 1.998336722955231
Energy: 1.9437499378901657
Energy: 1.9435549242735146
Energy: 1.9488065664929906
Energy: 1.9781375033166562
Energy: 1.961424580134232
Energy: 1.957633678987335
Energy: 1.956572949993095
Energy: 1.9450534894212113
Energy: 1.9698322260316334
Energy: 1.969341195464452
Energy: 1.9556414874755372
Energy: 1.9365427536759008
Energy: 1.9686472492533178
Energy: 1.9714076254517863
Energy: 1.9572807305782949
Energy: 1.9542106318863788
Energy: 1.943208837828498
Energy: 1.9518510177409458
Energy: 1.9555720768802478
Energy: 1.9569464782865622
Energy: 2.000418998680659
Energy: 2.0097222267445494
Energy: 1.9811859388698665
Energy: 2.0093411119130673
Energy: 1.9612528545805827
Energy: 2.0383960626738404
Energy: 1.8703335939537
Energy: 2.316386385778624
Energy: 1.9558398990938655
Energy: 1.9418194344985038
Energy: 1.957119069463249
Energy: 1.8701480722047048
Energy: 1.961225942324156
Energy: 1.9604101470553164
Energy: 1.9153124180316408
Energy: 2.000255032071087
Energy: 2.0101563218831187
Energy: 1.960868494394067
Energy: 1.9440320037397365
Energy: 1.9443677358897282
Energy: 2.210082773706693
Energy: 2.0011303013691366
Energy: 1.977020761479449
Energy: 1.9443961397544496
Energy: 1.8705526347844528
Energy: 2.037234572710985
Energy: 2.039724509165753
Energy: 1.9535917887532444
Energy: 2.0412144526839797
Energy: 1.9446358896677851
Energy: 1.9445915623367096
Energy: 2.039101511762656
Energy: 2.039489921093667
Energy: 1.9440978815154728
Energy: 2.0386356534338557
Energy: 1.9464572224340135
Energy: 1.9464054595734726
Energy: 2.2375810354467136
Energy: 2.284649260562229
Energy: 1.9447489434151874
Energy: 2.2585412036825128
Energy: 1.9448570977688517
Energy: 1.9442847753941837
Energy: 2.288108441475767
Energy: 2.253859349386813
Energy: 1.946925431123785
Energy: 2.2353195473219785
Energy: 2.293121801769445
Energy: 1.9451273209671962
Energy: 2.038751234298766
Energy: 2.0397469380860254
Energy: 1.9449988449586377
Energy: 2.0394217890292414
Energy: 2.0398438438830264
Energy: 1.9543773619453622
Energy: 2.0413442497767282
Energy: 1.9447819358599412
Energy: 1.9448688373917153
Energy: 2.0356347128406607
Energy: 1.9540587603936437
Energy: 1.9450958559120637
Energy: 1.94024727091949
Energy: 1.944986826010788
Energy: 1.943738313671671
Energy: 1.943925800477242
Energy: 1.944729226974117
Energy: 1.9407271052948443
Energy: 1.9803032400174108
Energy: 1.961497891659306
Energy: 1.9564433917668715
Energy: 1.9618715368735375
Energy: 1.9787142204491077
Energy: 1.9472373017048992
Energy: 1.954215502981504
Energy: 1.9437081264016494
Energy: 1.940106897418621
Energy: 1.9842237094811248
Energy: 1.9466768385324922
Energy: 1.9574861097776355
Energy: 1.9564884430984186
Energy: 1.9735279118719262
Energy: 1.9436370894710022
Energy: 1.9824834775843891
Energy: 1.9571244126563163
Energy: 1.9993004202391156
Energy: 1.953891961403583
Energy: 1.9795928714685402
Energy: 1.9685095341224121
Energy: 1.9609633070110595
Energy: 1.9162428265426212

minimum gb energy = 1.867890653445314 eV
minimum distance =  2.51210657830682 Angstroms
sigma value = 101


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

Energy: 3.636259796268731
Energy: 1.8725055314331482
Energy: 2.1795647170703654
Energy: 2.176212785211309
Energy: 2.179085885799971
Energy: 1.8980083223065412
Energy: 1.872884295010961
Energy: 1.8804913816311386
Energy: 1.8809620940736707
Energy: 1.9240759655838906
Energy: 1.8814072593983822
Energy: 1.8813872324963499
Energy: 1.9651728807744562
Energy: 1.9618295964873196
Energy: 1.9001754397765693
Energy: 1.8745296442248862
Energy: 1.9621000049613109
Energy: 1.9609784213245531
Energy: 1.923988918819377
Energy: 1.9268585361157642
Energy: 1.926416317392984
Energy: 1.9198868014230792
Energy: 1.883284612442512
Energy: 1.9233775940661575
Energy: 1.8720476540182662
Energy: 2.014883780453342
Energy: 2.0142819350722942
Energy: 1.8811195809182606
Energy: 2.013392871650423
Energy: 2.1484805361671055
Energy: 1.9218807810686769
Energy: 1.883798281767809
Energy: 1.8800897322521393
Energy: 1.8790646596345366
Energy: 2.014048752450506
Energy: 1.9255234107066466
Energy: 1.927694479299258
Energy: 2.2050607433444673
Energy: 2.2277373646986485
Energy: 1.879966658704789
Energy: 2.1978402723088095
Energy: 2.1844146432183233
Energy: 1.9618424237222756
Energy: 2.1818927099113914
Energy: 1.8789004435893346
Energy: 1.8831406707103828
Energy: 2.289821378369252
Energy: 1.8819900677869272
Energy: 1.931291118266577
Energy: 2.1990550378295395
Energy: 2.201908048776618
Energy: 1.9098392015952013
Energy: 2.197092122871202
Energy: 2.183743926721167
Energy: 1.9216066864340509
Energy: 2.199960048580439
Energy: 1.8801061843955187
Energy: 1.8801381561355834
Energy: 2.2269781597746476
Energy: 1.9225999367274174
Energy: 1.9228662135793524
Energy: 2.0142577599852824
Energy: 2.0155643427608236
Energy: 1.8811428618774404
Energy: 2.0159468561116682
Energy: 2.012562471362569
Energy: 1.9218632545321133
Energy: 2.016052611653823
Energy: 1.880690473109603
Energy: 1.8808794099049786
Energy: 2.011928296587536
Energy: 1.9227028765583922
Energy: 1.9612636511810422
Energy: 1.963007075029316
Energy: 1.9207027701027568
Energy: 1.9271527354709872
Energy: 1.9629333906120097
Energy: 1.9642030565757385
Energy: 1.9614535421135602
Energy: 1.961918166758425
Energy: 1.9262506221813465
Energy: 1.9277280278621907
Energy: 1.926348651044116
Energy: 1.9618221719423834
Energy: 1.9240841681516743
Energy: 1.8781005216583668
Energy: 1.9687255045190408
Energy: 1.9694550695129798
Energy: 1.9675539559447381
Energy: 1.8786399408196817
Energy: 1.8778576322412068
Energy: 1.9244030131793541
Energy: 1.9630085133259831
Energy: 1.960416539454235
Energy: 1.8815019762056198
Energy: 1.881805115858194
Energy: 2.179651827461279
Energy: 1.969912463522517
Energy: 1.956303520300851
Energy: 1.8697882492320126
Energy: 1.9619168280699604
Energy: 1.970269135686042
Energy: 1.9239625741723485
Energy: 1.8810810082706966
Energy: 1.9276450747234788
Energy: 1.8727363281988316
Energy: 1.9221532783197903
Energy: 1.9239221478482278
Energy: 1.8742272395574116
Energy: 1.8808461430694425
Energy: 1.9612994676309667
Energy: 1.961645575855331
Energy: 1.9616924145190993
Energy: 1.8756384915344866
Energy: 1.8761892338536499
Energy: 2.12610702305911
Energy: 1.9269372514710905
Energy: 1.9244004040094789
Energy: 1.9261343342478499
Energy: 1.925940729559032
Energy: 1.8810572762779347
Energy: 2.0124110151622903
Energy: 1.8789968278794664
Energy: 1.8724944587832737
Energy: 2.016294813990577
Energy: 1.8807903588609698
Energy: 1.8787162021783101
Energy: 2.015330363664239
Energy: 1.9287091667836869
Energy: 1.9233447984023342
Energy: 2.01146506726081
Energy: 1.879631099874637
Energy: 1.8785360349007625
Energy: 2.22831448641076
Energy: 2.197303832585427
Energy: 1.8812300289399433
Energy: 2.198407237459477
Energy: 2.1995812823771397
Energy: 1.8853365917468736
Energy: 2.1987251831954517
Energy: 2.1837201892749074
Energy: 1.9255523704727866
Energy: 2.1822287294950122
Energy: 1.8784990099059615
Energy: 1.8802118314334648
Energy: 2.2016499579819993
Energy: 2.182912057720019
Energy: 1.92637347126284
Energy: 2.2011292673348044
Energy: 1.8789140023459563
Energy: 1.9121596279538915
Energy: 2.2319023245288965
Energy: 1.8838497159144176
Energy: 1.924636177108438
Energy: 2.2010365158505136
Energy: 2.2285889522387756
Energy: 1.8794351155931845
Energy: 2.0144384056895204
Energy: 2.0105925596754055
Energy: 1.9243191323084035
Energy: 2.0135328622423776
Energy: 2.012536118420123
Energy: 1.8809490599832082
Energy: 2.011134393367415
Energy: 1.882113334713219
Energy: 1.9229201784242265
Energy: 2.016461267551393
Energy: 1.8799112654018608
Energy: 1.8816466837199477
Energy: 1.9268324149710276
Energy: 1.9277563637765152
Energy: 1.9258976184843093
Energy: 1.9273080265182212
Energy: 1.8830895252286122
Energy: 1.9210298213535095
Energy: 1.920551778238075
Energy: 1.9615093498886365
Energy: 1.960785984653021
Energy: 1.961775734483646
Energy: 1.9231348015026668
Energy: 1.8778171420429761
Energy: 1.8808451861392181
Energy: 1.9236414730726692
Energy: 1.8797642350989008
Energy: 1.8805554865862415
Energy: 1.8804673661756433
Energy: 1.9605069275387583
Energy: 1.9619006029342214
Energy: 1.8800187081460187
Energy: 1.8794119621973233
Energy: 1.8805733783250445
Energy: 1.9620131832212955
Energy: 1.870571410900955
Energy: 1.8805834270386903
Energy: 1.9693162472106296
Energy: 1.9688939727356176
Energy: 1.9624981980152316
Energy: 1.8727158329601163

minimum gb energy = 1.8697882492320126 eV
minimum distance =  2.49845225943889 Angstroms
sigma value = 33


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

Energy: 0.01464834026353911
Energy: 0.01627093489723306
Energy: 0.2843104317659445
Energy: 0.2845126369176811
Energy: 0.28441489430525085
Energy: 0.01589458941741657
Energy: 0.01878343426161633
Energy: 0.10730233896683804
Energy: 0.10687176270395457
Energy: 0.10798110960709383
Energy: 0.10772575971328197
Energy: 0.1067265296743833
Energy: 1.5551397941368812
Energy: 0.28461355077458084
Energy: 0.01621320343470516
Energy: 0.020021929359139212
Energy: 0.2856005744813841
Energy: 0.2844031709870751
Energy: 0.10779902131026607
Energy: 0.10730233896683804
Energy: 0.10687176270395457
Energy: 0.10798110960709383
Energy: 0.10772575971328197
Energy: 0.1067265296743833

minimum gb energy = 0.01464834026353911 eV
minimum distance =  2.70569599696801 Angstroms
sigma value = 1