Model name: model_name=MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.167413122951984
cohesive_energy=6.81791387822765
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=[6.97554060734286e-20, 1.98394328234952e-19, 3.17860628949162e-19, 4.2712587103469394e-19, 5.286013303257179e-19, 6.174452290342859e-19, 6.91565124476394e-19, 7.539234412483079e-19, 8.055776159284679e-19, 8.4808015767522e-19, 8.84750776474212e-19, 9.182138376519359e-19, 9.49090985742384e-19, 9.7718355084294e-19, 1.002215958572556e-18, 1.0239847324987139e-18, 1.0422735787758238e-18, 1.057127358349638e-18, 1.0688552913105179e-18, 1.077829082637552e-18, 1.0844204373098278e-18, 1.0888969188252238e-18, 1.0914459818499179e-18, 1.0922646941098919e-18, 1.0913706795481199e-18, 1.0883986418920498e-18, 1.082834282442168e-18, 1.074033526191606e-18, 1.0614051699624179e-18, 1.0440055317171779e-18, 1.0217945570400359e-18, 9.9468733056939e-19, 9.61555919954904e-19, 9.21490288868466e-19, 8.73317644013988e-19, 8.157225983749559e-19, 7.47505121652504e-19, 6.67047015446292e-19, 5.71730323136364e-19, 4.57551205314354e-19, 3.1632253938052197e-19, 1.337034025015974e-19, -1.1139341330847418e-19, -4.3413379163181e-19, -8.38101801598668e-19, -1.314012348962028e-18, -1.86361981713612e-18, -2.51248533213978e-18, -3.36054946804866e-18, -4.4177136764608794e-18, -5.31143984643876e-18, -5.595393611282579e-18, -4.96839780733302e-18, -5.463502430771699e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017126761550453246
Energy: 0.20525280709231852
Energy: 0.20495017344093536
Energy: 0.20482274867570968
Energy: 0.2049248779405079
Energy: 0.017851988444128945
Energy: 0.205252807092727
Energy: 1.4909074841941545
Energy: 0.20530045929793814
Energy: 0.2052428256772619
Energy: 0.2047122769899062
Energy: 0.20501103436723303
Energy: 0.20495017344093536
Energy: 0.20530045929752963
Energy: 1.4919607865724998
Energy: 0.017613553536721976
Energy: 0.20486051577347664
Energy: 0.20531292869104426
Energy: 0.2048227486765267
Energy: 0.2052428256772619
Energy: 0.017613553536721976
Energy: 0.01735501277335124
Energy: 0.20570495574733863
Energy: 0.20479824867932933
Energy: 0.20492487794091643
Energy: 0.20471227699067784
Energy: 0.20486051577347664
Energy: 0.20570495574770173
Energy: 1.4912695653492105
Energy: 0.2047003864613252
Energy: 0.017851988443720445
Energy: 0.20501103436723303
Energy: 0.20531292869181583
Energy: 0.20479824867932933
Energy: 0.20470038646173372
Energy: 0.01725512042680642

minimum gb energy = 0.017126761550453246 eV
minimum distance =  2.74135478551687 Angstroms
sigma value = 1


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

Energy: 2.9869896638807734
Energy: 2.0930423150094484
Energy: 2.095575760752172
Energy: 1.976483072252329
Energy: 2.0926515696351133
Energy: 2.125629988315891
Energy: 1.9862236040901315
Energy: 2.218731827631578
Energy: 2.0781186891663337
Energy: 1.9617521913736553
Energy: 2.0774517728490025
Energy: 2.0082066085715384
Energy: 1.967920823230801
Energy: 2.0049565450705065
Energy: 2.1694945639047383
Energy: 2.1482244690051364
Energy: 2.0063076135670697
Energy: 2.0103923856517936
Energy: 1.9616341175167167
Energy: 2.0062854410091786
Energy: 2.1848192247845013
Energy: 1.9313363135329056
Energy: 2.0067143463764205
Energy: 2.0066546337331266
Energy: 1.9610695303176815
Energy: 2.006092728179972
Energy: 2.025599456736851
Energy: 1.9435781613352208
Energy: 2.144225339742811
Energy: 1.960971487363322
Energy: 1.9584016330939427
Energy: 2.2138710860091684
Energy: 2.2200775918474083
Energy: 1.962510862934443
Energy: 2.218193954246774
Energy: 2.2340883966038994
Energy: 1.956405731390086
Energy: 2.2150166777534066
Energy: 2.1260174866627444
Energy: 2.125914946291412
Energy: 2.219206197015847
Energy: 2.2314940444979197
Energy: 2.0992323190319677
Energy: 2.012614142802232
Energy: 1.943993900721
Energy: 1.9450024833422195
Energy: 2.133678896567109
Energy: 2.0130996899792906
Energy: 2.11044125461281
Energy: 2.136108105791643
Energy: 2.1387621232978917
Energy: 1.888176696298078
Energy: 2.1372471065676466
Energy: 2.1373335096837707
Energy: 2.107024764169087
Energy: 2.135724983402304
Energy: 2.1370203019374396
Energy: 1.8669968959065577
Energy: 2.1359057165954565
Energy: 2.1697896955971454
Energy: 1.9582257394234652
Energy: 2.0178603776107544
Energy: 1.865186287243334
Energy: 1.8667021860492448
Energy: 1.865168511645365
Energy: 2.0176982657610902
Energy: 1.9614823210968746
Energy: 2.169935146291467
Energy: 2.1655342661554333
Energy: 1.9425942395590177
Energy: 2.16557019205916
Energy: 2.0152819378370337
Energy: 1.956788771791627
Energy: 2.1686586699909998
Energy: 2.1658783193438937
Energy: 1.9423582582033097
Energy: 2.1663537881998596
Energy: 2.1278821000182635
Energy: 1.9572121488721272
Energy: 2.137364666387819
Energy: 1.8650862149443108
Energy: 1.8664203632667935
Energy: 1.8653212046825411
Energy: 2.1362697000692092
Energy: 2.100225977822414
Energy: 2.0013632910958736
Energy: 2.0020631585883963
Energy: 1.8675281576934861
Energy: 2.001119507715944
Energy: 2.1851385431476413
Energy: 1.905161858872732
Energy: 2.000864283252609
Energy: 2.0011808441633243
Energy: 1.8896359860023217
Energy: 2.0009767955651623
Energy: 2.031649243156617
Energy: 1.9570404218907709
Energy: 2.127017582543225
Energy: 1.8650090992238537
Energy: 1.864628691549376
Energy: 2.2144266643760506
Energy: 2.129682955658826
Energy: 1.9601308475785675
Energy: 2.2154245175101983
Energy: 2.2142788538703284
Energy: 2.215554730046701
Energy: 2.21510535453724
Energy: 2.1384018651899304
Energy: 1.9572640340415703
Energy: 2.2165978617168616
Energy: 2.1263688920226413
Energy: 1.9570514868560005
Energy: 2.2147159431671803
Energy: 2.132705108080528
Energy: 1.9672418122569746
Energy: 2.1560543582977467
Energy: 1.8714228671673683
Energy: 1.8759327808858772
Energy: 2.140172345779342
Energy: 1.967662237917937
Energy: 1.9675849589079244
Energy: 2.1497987991100853
Energy: 2.1700893241322685
Energy: 1.888300616468037
Energy: 2.2077824565399937
Energy: 2.1526707805740806
Energy: 1.9679743874017492
Energy: 2.1514938436479922
Energy: 2.15149938140768
Energy: 2.110155303083306
Energy: 2.1508465744279532
Energy: 2.00975768735686
Energy: 1.9984041208312204
Energy: 2.2185789658999644
Energy: 1.9567552150570202
Energy: 1.9564919680409487
Energy: 2.0774157402793487
Energy: 2.056797369659918

minimum gb energy = 1.864628691549376 eV
minimum distance =  2.352440157748 Angstroms
sigma value = 33


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

Energy: 2.4776099475734075
Energy: 2.1004740259689947
Energy: 1.9831635792277922
Energy: 2.013109628231857
Energy: 2.0997574700158688
Energy: 2.2662994965965457
Energy: 2.072008158476397
Energy: 2.498120426132403
Energy: 2.069672862654859
Energy: 2.0071156256963856
Energy: 2.070282920665132
Energy: 2.13071597596926
Energy: 2.0458634276448846
Energy: 2.2080506121718995
Energy: 2.161722786277786
Energy: 1.9885637281953177
Energy: 2.234608801243488
Energy: 2.1340462734217023
Energy: 2.0461315555504567
Energy: 2.130690748741217
Energy: 2.1620992669461625
Energy: 2.110051444960724
Energy: 2.1616511650726333
Energy: 2.0738720008232683
Energy: 2.045646810294415
Energy: 2.0739709687758707
Energy: 2.0020972649431727
Energy: 2.0719226233807104
Energy: 2.264555793468302
Energy: 2.046367349037608
Energy: 2.007754307945602
Energy: 2.281413379140714
Energy: 2.2811667291451325
Energy: 2.0067177290112026
Energy: 2.28414439829516
Energy: 2.286732946941801
Energy: 2.0084168751304006
Energy: 2.281219861158303
Energy: 2.2892403934307364
Energy: 2.2877967303401596
Energy: 2.282675835816331
Energy: 2.2813301991950667
Energy: 2.008673466009883
Energy: 2.026988821381928
Energy: 2.1218315395304277
Energy: 2.0680920117002715
Energy: 2.2997133836041357
Energy: 2.028788689870277
Energy: 2.1331775224553184
Energy: 2.2338327977263175
Energy: 2.1430722884238698
Energy: 2.0479785821217416
Energy: 2.1432290983563735
Energy: 2.2240922530854017
Energy: 2.015332515551891
Energy: 2.197270353610029
Energy: 2.1540245099729463
Energy: 2.068731186922818
Energy: 2.196882373228713
Energy: 2.2620386992923875
Energy: 2.027119813957142
Energy: 2.0770305516042082
Energy: 2.1980965531051955
Energy: 2.069500267995375
Energy: 2.1977092325379544
Energy: 2.077053252199072
Energy: 2.01070919921827
Energy: 2.027481933700628
Energy: 2.0274521483788526
Energy: 1.9677368560348105
Energy: 2.02822066832219
Energy: 2.0401426899986053
Energy: 1.990254521617028
Energy: 2.0270986557270705
Energy: 2.0272412372805517
Energy: 1.9677437466556622
Energy: 2.028203978816443
Energy: 1.9894036121884284
Energy: 1.9984768002120925
Energy: 1.9919729776286048
Energy: 2.1979823965641994
Energy: 2.0688224781856013
Energy: 2.1973174964138873
Energy: 1.9984706205144667
Energy: 2.138586081148162
Energy: 2.2943846021092353
Energy: 2.24196601994295
Energy: 2.06811170625521
Energy: 2.29474922160915
Energy: 2.305659055141969
Energy: 2.0335756264093536
Energy: 2.2944609211742244
Energy: 2.2442827437133706
Energy: 2.0702517803395946
Energy: 2.242028496274329
Energy: 2.277883779281697
Energy: 1.990154044166654
Energy: 2.053353561779725
Energy: 2.027207467038159
Energy: 2.0271725291965583
Energy: 2.2245467539912434
Energy: 2.0535374504104853
Energy: 2.096306733009909
Energy: 2.254171089018695
Energy: 2.2252670647651804
Energy: 2.2246516252432618
Energy: 2.257334212495938
Energy: 2.2790338074841032
Energy: 2.0962266111049224
Energy: 2.25573727652031
Energy: 2.256213657569969
Energy: 2.0270817362657167
Energy: 2.257546034361651
Energy: 2.2555739901215284
Energy: 1.9933045599424546
Energy: 1.978361815455776
Energy: 1.9783007864912285
Energy: 1.9786496195389582
Energy: 2.591382285738208
Energy: 2.02759867695619
Energy: 1.9937431827821561
Energy: 1.9832290876651069
Energy: 1.9779311594714777
Energy: 1.960099789853452
Energy: 1.977823831331006
Energy: 1.9929951806960449
Energy: 2.017728472802493
Energy: 1.9781061976138108
Energy: 2.6134299262587186
Energy: 2.0611909053820674
Energy: 2.150248491848482
Energy: 1.978196124281594
Energy: 2.0189638443888134
Energy: 2.599400476234428
Energy: 1.9783164144996856
Energy: 2.0273848772973397
Energy: 2.19527995906856
Energy: 1.9934164880170877
Energy: 1.9841889615814343
Energy: 2.1964144227282585
Energy: 2.1992338348629246
Energy: 1.97947299729379
Energy: 2.119193092965931
Energy: 2.288761514699116
Energy: 2.0585637213099743
Energy: 2.599531129958535
Energy: 2.074795154874803
Energy: 1.9810487291132366
Energy: 2.119552301752975
Energy: 1.993574901356813
Energy: 2.0175702019359134
Energy: 2.274194877543747
Energy: 2.2824808171922037
Energy: 2.00577217803616
Energy: 2.283723694616914
Energy: 1.979798980486024
Energy: 2.009173737098336
Energy: 2.2844816114135305
Energy: 2.278264454515294
Energy: 2.0041668200436455
Energy: 2.284729915755351
Energy: 2.301084613171842
Energy: 2.15683443276689
Energy: 2.295227351147118
Energy: 2.0262567718435984
Energy: 2.0032458201463013
Energy: 2.2857415964147223
Energy: 2.1576200084161905
Energy: 2.0536928722267733
Energy: 2.1443731317732864
Energy: 2.406065015727803
Energy: 2.0371674825982167
Energy: 2.2305594982708863
Energy: 2.0539737746639575
Energy: 2.0551371872931044
Energy: 2.232982722974007
Energy: 2.2627934751371934
Energy: 2.2785425669958386
Energy: 2.1977594425241826
Energy: 2.1622513716666987
Energy: 2.0746924036497867
Energy: 2.198042927883328
Energy: 1.98317513254149
Energy: 2.0205713979722795
Energy: 2.1982927308268723
Energy: 2.198823494242284
Energy: 2.0883139327890072
Energy: 2.070891383091659
Energy: 2.0275374952872607
Energy: 2.0035077785111985
Energy: 2.0265855015034124
Energy: 2.2226358630292595
Energy: 1.9774978521716238
Energy: 2.0267563027263478
Energy: 2.0258718192053244
Energy: 1.9857778826831853
Energy: 2.0255307433238015
Energy: 2.039559896198553
Energy: 2.075943855879102
Energy: 2.2380784201529664
Energy: 1.9844877871702167
Energy: 1.9831750748271368
Energy: 2.027329863588588
Energy: 2.2371801417899966
Energy: 2.074403526770211
Energy: 2.2936274502335556
Energy: 2.2928351428918474
Energy: 2.042099839082368
Energy: 2.2929965042451537
Energy: 2.2455708245566157
Energy: 2.073806872138872
Energy: 2.247316696125613
Energy: 2.2942319060401632
Energy: 2.0126486572464044
Energy: 2.2527977978226255
Energy: 2.2058062321604774
Energy: 2.0745411363186324
Energy: 2.0750104481290266
Energy: 2.0116811403853894
Energy: 2.012875741772334
Energy: 2.011599560817405
Energy: 2.074506296565414
Energy: 2.046202826878696
Energy: 2.269156084896846
Energy: 2.2959252472255907
Energy: 2.0962999531372852
Energy: 2.291034087067339
Energy: 2.2292309864098714
Energy: 2.0451068749412142
Energy: 2.2913362684911
Energy: 2.2907480239967284
Energy: 2.091193654919274
Energy: 2.2910611958406113
Energy: 2.2500669232762984
Energy: 2.072199382721305
Energy: 2.233775676728662
Energy: 1.9817020728285655
Energy: 2.025183727146636
Energy: 1.9821787056382314
Energy: 2.135100875743258
Energy: 1.981046248277629
Energy: 1.981919189440696
Energy: 1.980123739988821
Energy: 1.9822808197362096
Energy: 1.981946935299058
Energy: 2.20510945885714

minimum gb energy = 1.960099789853452 eV
minimum distance =  2.34263079820583 Angstroms
sigma value = 51


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

Energy: 3.4325066796114148
Energy: 2.213215265163506
Energy: 2.2149980011258763
Energy: 2.119332226684487
Energy: 2.2133496773748584
Energy: 2.330360379889215
Energy: 2.0860592115923158
Energy: 2.3570024369375697
Energy: 2.184661372380317
Energy: 2.094316618648915
Energy: 2.1856563741614186
Energy: 2.1915575704727766
Energy: 2.093565694949647
Energy: 2.184432200667455
Energy: 2.196416997045835
Energy: 2.084981203038188
Energy: 2.1846730582764216
Energy: 2.1864874454617453
Energy: 2.086397069735983
Energy: 2.1838843167021715
Energy: 2.184769581416336
Energy: 2.101533380451368
Energy: 2.1845381837465987
Energy: 2.185436969629448
Energy: 2.085574020434118
Energy: 2.1861101123739743
Energy: 2.195384508592449
Energy: 2.086055659236695
Energy: 2.355843629303169
Energy: 2.184441965764179
Energy: 2.1113527760228785
Energy: 2.3467038432754768
Energy: 2.3463674818222233
Energy: 2.0938936001648574
Energy: 2.346706418774217
Energy: 2.347633384038171
Energy: 2.111135516520736
Energy: 2.346742506969204
Energy: 2.3468388594313874
Energy: 2.1814132420717316
Energy: 2.3466242625621785
Energy: 2.347309382658295
Energy: 2.164903912283701
Energy: 2.1950496970884505
Energy: 2.0943685356826514
Energy: 2.1104056513801774
Energy: 2.3258960282784127
Energy: 2.194584274678014
Energy: 1.9777176008796884
Energy: 2.191228778322488
Energy: 2.0863471994036833
Energy: 2.0885338701604486
Energy: 2.184526525475994
Energy: 2.331137125214291
Energy: 1.9779636943457808
Energy: 2.1842481579474557
Energy: 2.1840339215229676
Energy: 2.0958453848207514
Energy: 2.184289638415694
Energy: 2.331400234150648
Energy: 2.087852408976218
Energy: 2.1843523846809556
Energy: 2.1847301211885215
Energy: 2.130098165176867
Energy: 2.1852499706863213
Energy: 2.183764481331991
Energy: 2.0937343149579544
Energy: 2.1852070715504173
Energy: 2.186155093525827
Energy: 2.1018908640288814
Energy: 2.185674647959577
Energy: 2.1879109766937446
Energy: 2.0839653942371226
Energy: 2.18527279091955
Energy: 2.1868870146463206
Energy: 2.1023339043938494
Energy: 2.186222505652992
Energy: 2.18800067635522
Energy: 2.0943571962559986
Energy: 2.1847297108788153
Energy: 2.1947710008313313
Energy: 2.1642349659802265
Energy: 2.186146018734554
Energy: 2.0954971179313544
Energy: 2.113198428982668
Energy: 2.344685122050436
Energy: 2.3471693850932493
Energy: 2.177730114990266
Energy: 2.3455983237054454
Energy: 2.3446447079358816
Energy: 2.1101847627055044
Energy: 2.345272348875009
Energy: 2.320770176163294
Energy: 2.1799734817766523
Energy: 2.345099917741955
Energy: 2.3455728093873307
Energy: 2.110696246744538
Energy: 2.186069881393088
Energy: 2.0971243408986235
Energy: 2.0945078883642823
Energy: 2.1943316418626315
Energy: 2.183739159494549
Energy: 1.978094954910275
Energy: 2.1854593323913596
Energy: 2.1923660863775436
Energy: 2.0870902623056238
Energy: 2.1852579669050636
Energy: 2.330030116857919

minimum gb energy = 1.9777176008796884 eV
minimum distance =  2.39674279900581 Angstroms
sigma value = 19


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

Energy: 2.1510589511213123
Energy: 2.282373284187743
Energy: 2.2101047685718935
Energy: 2.1172808443613924
Energy: 2.2081494936597443
Energy: 2.3462853827365673
Energy: 2.1143966171407484
Energy: 2.59930764463466
Energy: 2.2109545089874083
Energy: 2.1370816431345756
Energy: 2.210981183464013
Energy: 2.4186821484044096
Energy: 2.2570175157764623
Energy: 2.418811288976362
Energy: 2.4182688173688556
Energy: 2.355596507007737
Energy: 2.4176333271261594
Energy: 2.418794086280556
Energy: 2.3044722665586863
Energy: 2.4188216289145514
Energy: 2.417840135189683
Energy: 2.2979840281901933
Energy: 2.4179108423491846
Energy: 2.323471192428344
Energy: 2.3050731151423998
Energy: 2.4223318929438005
Energy: 2.3495550616743914
Energy: 2.2077180137671135
Energy: 2.599251990350035
Energy: 2.3224506569153256
Energy: 2.3073648383083687
Energy: 2.3920206074770145
Energy: 2.3506304205458313
Energy: 2.1351222471554743
Energy: 2.4186415287340117
Energy: 2.3928222337681007
Energy: 2.3058824039198704
Energy: 2.419929766622595
Energy: 2.487788614930143
Energy: 2.487882953359079
Energy: 2.418666528076523
Energy: 2.3929277081352383
Energy: 2.257963151981261
Energy: 2.4193540541018446
Energy: 2.2443514779196247
Energy: 2.0942199534683814
Energy: 2.4181848251079443
Energy: 2.406991555190754
Energy: 2.128442493257946
Energy: 2.210466301075666
Energy: 2.2093523354913285
Energy: 2.137542025382324
Energy: 2.20921831155928
Energy: 2.4185689999856925
Energy: 2.339174869586111
Energy: 2.2123526304780237
Energy: 2.210236585952534
Energy: 2.1143031508931
Energy: 2.2104291196850174
Energy: 2.4131658775914695
Energy: 2.1149828376028306
Energy: 2.4220279624206857
Energy: 2.2111547382738026
Energy: 2.1142582696964456
Energy: 2.211478141307872
Energy: 2.417439995691043
Energy: 2.3052602347374433
Energy: 2.493349016558677
Energy: 2.486047764096084
Energy: 2.3050273723362213
Energy: 2.4935362846253915
Energy: 2.4076598833093725
Energy: 2.454166448622501
Energy: 2.4861347215242255
Energy: 2.4960835995823842
Energy: 2.3051877391181805
Energy: 2.4960346736983055
Energy: 2.484586711361794
Energy: 2.1149063957350256
Energy: 2.4946645209118747
Energy: 2.4190583258513647
Energy: 2.114852060109277
Energy: 2.4194787234213546
Energy: 2.115807150948341
Energy: 2.11529819545763
Energy: 2.2100645099883103
Energy: 2.211187227367273
Energy: 2.1557816826737812
Energy: 2.211095693578521
Energy: 2.114174471498869
Energy: 2.135594120299101
Energy: 2.210570388200833
Energy: 2.321003500116988
Energy: 2.1517612868113054
Energy: 2.2105372776369054
Energy: 2.211852511620231
Energy: 2.136278732911817
Energy: 2.2114200030223747
Energy: 2.4189574377404646
Energy: 2.2600992304606895
Energy: 2.419249164410386
Energy: 2.210993775028189
Energy: 2.319528696675929
Energy: 2.417983061298893
Energy: 2.4194082755152024
Energy: 2.307394998908413
Energy: 2.419818051108164
Energy: 2.4187969153857902
Energy: 2.319723279575262
Energy: 2.4188837337653535
Energy: 2.3923096646729056
Energy: 2.3117500534130953
Energy: 2.4180112842414054
Energy: 2.419360465266152
Energy: 2.0937946542729997
Energy: 2.3494966557551145
Energy: 2.241536257732995
Energy: 2.241610677847986
Energy: 2.3227501030064777
Energy: 2.3494474248823107
Energy: 2.1567548888720673
Energy: 2.418302548424344
Energy: 2.391893961606034
Energy: 2.3072918117734673
Energy: 2.4192419544439003
Energy: 2.4225956461503144
Energy: 2.155969058368891
Energy: 2.4178444600227262
Energy: 2.4081741065926523
Energy: 2.3078569261698694
Energy: 2.4201943403671957
Energy: 2.487808343947627
Energy: 2.135856038608975
Energy: 2.211292642589747
Energy: 2.4201371026650715
Energy: 2.260175073808727
Energy: 2.420521186997225
Energy: 2.210881267931074
Energy: 2.1356480420645423
Energy: 2.2094371246603934
Energy: 2.4127450143466245
Energy: 2.3397757752260904
Energy: 2.2094318560941013
Energy: 2.2106535494249178
Energy: 2.1134455014279223
Energy: 2.208895982370354
Energy: 2.2102957873984836
Energy: 2.3408406998926092
Energy: 2.210310829421163
Energy: 2.209791817800599
Energy: 2.1150470566291895
Energy: 2.115197810554065
Energy: 2.4192071470576644
Energy: 2.1152019087325917
Energy: 2.419557574475633
Energy: 2.115235194050393
Energy: 2.3074477971209744
Energy: 2.4952556982699408
Energy: 2.484579100049182
Energy: 2.304965934547576
Energy: 2.4961342380492124
Energy: 2.484175493625102
Energy: 2.3055968932245423
Energy: 2.4954259579185445
Energy: 2.4846998302289514
Energy: 2.4436387983929633
Energy: 2.4962588869682065
Energy: 2.407071650432977
Energy: 2.115420846027783
Energy: 2.422231337586778
Energy: 2.114909607241181
Energy: 2.1143568538696744
Energy: 2.376056744102876
Energy: 2.420458870304967
Energy: 2.061068062321569
Energy: 2.2101484530586064
Energy: 2.2100248509456693
Energy: 2.114553742568382
Energy: 2.21051584730225
Energy: 2.320879144188156

minimum gb energy = 2.061068062321569 eV
minimum distance =  2.3419463193282 Angstroms
sigma value = 27


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

Energy: 3.1767058195699374
Energy: 2.524577975447386
Energy: 2.5255714639748446
Energy: 2.2830881295605323
Energy: 2.527749205610154
Energy: 2.454883078954851
Energy: 2.3389052039316938
Energy: 2.3876298998614103
Energy: 2.5234460147495588
Energy: 2.2183842035710297
Energy: 2.5241559003195677
Energy: 2.434262820775555
Energy: 2.338140382225688
Energy: 2.4431038938336207
Energy: 2.4440201582811567
Energy: 1.89827398153243
Energy: 2.443336943633357
Energy: 2.441649582995439
Energy: 2.6225292576366925
Energy: 2.3879833665412558
Energy: 2.4428851749798666
Energy: 1.8999573807247643
Energy: 2.442727575304213
Energy: 2.3874252195627848
Energy: 2.4387285031959722
Energy: 2.38872353839091
Energy: 2.2153685572407658
Energy: 1.8979581375799393
Energy: 2.2126143260538953
Energy: 2.3882181928281843
Energy: 2.438286542711903
Energy: 2.4452510284959246
Energy: 2.2144282038161727
Energy: 1.897987181868801
Energy: 2.446533961705899
Energy: 2.445152279899694
Energy: 2.338062832643764
Energy: 2.4442221271482127
Energy: 2.4442124266670278
Energy: 2.6215428085155703
Energy: 2.4442479112713356
Energy: 2.214452873283668
Energy: 2.337820861125526
Energy: 2.4449434875447946
Energy: 1.8987388111980341
Energy: 1.8979251152249594
Energy: 2.445847382783784
Energy: 2.219423141411407
Energy: 2.3389106312100756
Energy: 2.438409150354673
Energy: 1.8986001451612904
Energy: 1.9000470537358323
Energy: 1.8979478168119552
Energy: 2.4386682224063487
Energy: 2.33802577218088
Energy: 2.4373665215616334
Energy: 2.4333625942243424
Energy: 1.932597630078684
Energy: 2.432977529481315
Energy: 2.4375331344092723
Energy: 2.3385410311169834
Energy: 2.6772219601205896
Energy: 2.43360659993216
Energy: 1.9321493010839361
Energy: 2.433582644214991
Energy: 2.4404193472338087
Energy: 2.15528208221866
Energy: 2.6646973847231443
Energy: 2.525621426177787
Energy: 2.2819028648911734
Energy: 2.5244034365787633
Energy: 2.386934474932633

minimum gb energy = 1.8979251152249594 eV
minimum distance =  2.34750525453394 Angstroms
sigma value = 9


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

Energy: 2.260901396094608
Energy: 2.091208146017923
Energy: 2.09325472689906
Energy: 2.0925215497366527
Energy: 2.0935462943919627
Energy: 2.457133714414326
Energy: 2.2428159838926764
Energy: 2.597777201156147
Energy: 2.0903323228583055
Energy: 2.154892111436965
Energy: 2.090188137103179
Energy: 2.586702354470341
Energy: 2.241879418614055
Energy: 2.5885528965607683
Energy: 2.587334399266099
Energy: 2.1531605957912454
Energy: 2.589634956351423
Energy: 2.178190343943378
Energy: 2.0308992647772937
Energy: 2.5879616578569693
Energy: 2.5889657686011835
Energy: 2.1537064454733885
Energy: 2.5882656040405423
Energy: 2.588154259802563
Energy: 2.1529194617170826
Energy: 2.5876341074068523
Energy: 2.5937894705495244
Energy: 2.2437476653967097
Energy: 2.5894952538785163
Energy: 2.365137295377212
Energy: 2.154695730295696
Energy: 2.0896897884158223
Energy: 2.59473095257183
Energy: 2.2434440098852493
Energy: 2.0905612398008584
Energy: 2.0922258086175227
Energy: 2.090274643151021
Energy: 2.0922573678392453
Energy: 2.298433835253336
Energy: 2.522767879041991
Energy: 2.091577762392988
Energy: 2.090620424281714
Energy: 2.0915714209353937
Energy: 2.0904296900380626
Energy: 2.5211863739226543
Energy: 2.2433679613923965
Energy: 2.0907105319837878
Energy: 2.0898938857027116
Energy: 2.090419173639069
Energy: 2.5062218983902427
Energy: 2.5073161898940124
Energy: 2.2438330553950956
Energy: 2.5071979770049606
Energy: 2.091842732369324
Energy: 2.0889599478075374
Energy: 2.5090202259826144
Energy: 2.5064641847292592
Energy: 2.273002882640898
Energy: 2.5059174561493665
Energy: 2.505451858430536
Energy: 2.210633094606394
Energy: 2.5062913391228125
Energy: 2.5051920874273566
Energy: 2.2707371996478902
Energy: 2.5050195810361684
Energy: 2.2098519271904387
Energy: 2.2091740026577877
Energy: 2.54158821046512
Energy: 2.3481654488948385
Energy: 2.2436006443732275
Energy: 2.2996228952126225
Energy: 2.5082266136164235
Energy: 2.1518272685365987
Energy: 2.3006982095942856
Energy: 2.3019036298991202
Energy: 2.1905741717345872
Energy: 2.3010189039321687
Energy: 2.521020491479259
Energy: 2.2094553924773437
Energy: 2.3002455546089986
Energy: 2.301357305385814
Energy: 2.2431803388477443
Energy: 2.2994763880690567
Energy: 2.4805951942496685
Energy: 2.209911396823581
Energy: 2.4772996248719643
Energy: 2.28912588625011
Energy: 2.1921596595067845
Energy: 2.30230702701212
Energy: 2.3345039397327323
Energy: 2.2691578716336975
Energy: 2.3013456144635516
Energy: 2.2895277117319552
Energy: 2.2438003695290996
Energy: 2.3009945127791287
Energy: 2.4259833954753733
Energy: 2.2081142563087996
Energy: 2.3012791886465944
Energy: 2.303199336108496
Energy: 2.243288902488462
Energy: 2.2997975854800345
Energy: 2.4254894639497637
Energy: 2.2085790582139793
Energy: 2.506233669796705
Energy: 2.3038234573417435
Energy: 2.2422764420317547
Energy: 2.504752835151848
Energy: 2.2100773964911036
Energy: 2.09165282915876
Energy: 2.5045950762585867
Energy: 2.5106921129929365
Energy: 2.3638462978905976
Energy: 2.507152876449181
Energy: 2.505407565023848
Energy: 2.092069664759605
Energy: 2.5081126792278075
Energy: 2.5051432732057135
Energy: 2.242815199026336
Energy: 2.5050324649611535
Energy: 2.5060863136477667
Energy: 2.090727213849916
Energy: 2.0898068686161957
Energy: 2.532181145733434
Energy: 2.2437237873600693
Energy: 2.3933694503733514
Energy: 2.0913334330431805
Energy: 2.091341852925837
Energy: 2.0904951189197507
Energy: 2.143275686602045
Energy: 2.0306995310666713
Energy: 2.0905883401531185
Energy: 2.091078491491997
Energy: 2.1535824141213857
Energy: 2.0901750660683396
Energy: 2.0916073083667746
Energy: 2.2078220255125744
Energy: 2.089956022652821
Energy: 2.0913378869528882
Energy: 2.1543707286612417
Energy: 2.090804290261366
Energy: 2.589658805394688
Energy: 2.2428699550614652
Energy: 2.589784011391064
Energy: 2.0897743516449814
Energy: 2.1536491128147284
Energy: 2.5956036471728035
Energy: 2.588021933051185
Energy: 2.1536083485272037
Energy: 2.5913704340478048
Energy: 2.5970267871316985
Energy: 2.242500385220116
Energy: 2.5928109130444543
Energy: 2.5894879659315064
Energy: 2.030798558868919
Energy: 2.5898871547253437
Energy: 2.5826222096366944
Energy: 2.2418734954296475
Energy: 2.5873894264399704
Energy: 2.090434964389214
Energy: 2.152755012169031
Energy: 2.0898916432320975
Energy: 2.1817499492167434
Energy: 2.2398664560693997
Energy: 2.090676976850785
Energy: 2.09129854933176
Energy: 2.155181019480077
Energy: 2.0906441415255514
Energy: 2.2991381620579183
Energy: 2.2078585581323886
Energy: 2.0911206433331007
Energy: 2.0911162346461203
Energy: 2.0899627200399737
Energy: 2.0902344787294513
Energy: 2.299465568956804
Energy: 2.24448134739847
Energy: 2.505256769140936
Energy: 2.0908629345769003
Energy: 2.090625721781721
Energy: 2.521444997071291
Energy: 2.181348391400326
Energy: 2.2712218360974097
Energy: 2.5043492673069134
Energy: 2.505139750991239
Energy: 2.0917763383231143
Energy: 2.5042936548650387
Energy: 2.5050713917362946
Energy: 2.2709110211496437
Energy: 2.5069536136163655
Energy: 2.5184140250414067
Energy: 2.2095559697983016
Energy: 2.506878658145698
Energy: 2.5839216403127456
Energy: 2.2444558829808847
Energy: 2.3007527870562754
Energy: 2.5057499391399505
Energy: 2.210689329478815
Energy: 2.5060182466159198
Energy: 2.1781927993226207
Energy: 2.2443601727440226
Energy: 2.3011945293109437
Energy: 2.3002058073634117
Energy: 2.151358431463204
Energy: 2.299557593059555
Energy: 2.1786142530913546
Energy: 2.2415589051370226
Energy: 2.3469845857319904
Energy: 2.3453537305582293
Energy: 2.2410619317092597
Energy: 2.2996331292139045
Energy: 2.2903835598093774
Energy: 2.1905227576727913
Energy: 2.290211221493809
Energy: 2.4763420580055016
Energy: 2.210501433902813
Energy: 2.47667511022827
Energy: 2.1889014087021463
Energy: 2.245962230315744
Energy: 2.3498740685270745
Energy: 2.301119096858955
Energy: 2.2081471718723202
Energy: 2.2998180393266923
Energy: 2.338514557449106
Energy: 2.2437271116667636
Energy: 2.301711352927269
Energy: 2.4261798911967665
Energy: 2.2704725424956944
Energy: 2.30067856733507
Energy: 2.179643498927248
Energy: 2.2418385047710534
Energy: 2.302303258596864
Energy: 2.508631843138247
Energy: 2.2105460723269563
Energy: 2.5069614433124827
Energy: 2.1796342597898573
Energy: 2.151301726903965
Energy: 2.5066329788184283
Energy: 2.547190352752032
Energy: 2.210458435985979
Energy: 2.5140659968574335
Energy: 2.5064225405699543
Energy: 2.2418780035239623
Energy: 2.5046426917335562
Energy: 2.500847033449696
Energy: 2.089095796732653
Energy: 2.5047982310454393
Energy: 2.505830354757991
Energy: 2.242928955829021
Energy: 2.5059110277581556
Energy: 2.0913184815936465
Energy: 2.0906293486985583
Energy: 2.5050227289552796
Energy: 2.1795690271618
Energy: 2.2070478211450117
Energy: 2.091144735729988
Energy: 2.089811655676751
Energy: 2.0896240942065814
Energy: 2.08955140068228
Energy: 2.1448212299363933

minimum gb energy = 2.0306995310666713 eV
minimum distance =  2.37320843925814 Angstroms
sigma value = 57


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

Energy: 3.49742628534754
Energy: 2.1904730068016076
Energy: 1.9546340529502175
Energy: 1.9538573894152709
Energy: 1.9532720522005462
Energy: 2.4793406731411918
Energy: 1.8991977292274642
Energy: 2.4632888196631493
Energy: 2.193858885142109
Energy: 1.9006686093695138
Energy: 2.192547729783097
Energy: 2.443512898700552
Energy: 1.8982198323372979
Energy: 2.4628906592662068
Energy: 2.46247718991046
Energy: 1.8994278146975863
Energy: 2.463720738320262
Energy: 2.1912435435567605
Energy: 1.896190664184415
Energy: 2.462110372341307
Energy: 2.4624503379386047
Energy: 1.8993424459895223
Energy: 2.463253111735425
Energy: 1.897667854025997
Energy: 1.8963904648961858
Energy: 2.4632028956377443
Energy: 2.4620052786210658
Energy: 1.9012179888417167
Energy: 2.464047947439679
Energy: 2.244363082142705
Energy: 1.8984783064867412
Energy: 2.1913457426191094
Energy: 2.462922202566011
Energy: 1.8992185369949242
Energy: 2.1921807762463237
Energy: 2.1921703584084145
Energy: 1.952502372876733
Energy: 2.1929035123987455
Energy: 2.1942435013959116
Energy: 2.2413176484298596
Energy: 2.1929748512029135
Energy: 2.191044118929808
Energy: 1.9537867199777812
Energy: 2.19161669622747
Energy: 2.4419428751903154
Energy: 1.8992955252192338
Energy: 2.192251277498264
Energy: 2.193499159481073
Energy: 1.954092677573574
Energy: 2.191549022126847
Energy: 2.4623699917965967
Energy: 1.9006427340593322
Energy: 2.486113345867153
Energy: 1.953773773132489
Energy: 1.9540199994065248
Energy: 2.1920283004809646
Energy: 2.438722443687084
Energy: 1.8961892732096648
Energy: 2.1925868725967037
Energy: 1.9535009767338045
Energy: 1.8994743628439714
Energy: 2.192561555458024
Energy: 2.1925932948143467
Energy: 1.8963198467539952
Energy: 2.1926005228032888
Energy: 1.8994169297261523
Energy: 1.9003024542971059
Energy: 2.2440444051851096
Energy: 2.441319200861134
Energy: 1.8991013559468688
Energy: 2.464095340879762
Energy: 2.1913935829162914
Energy: 1.900457333552138
Energy: 2.4653204465283145
Energy: 2.2435080299493335
Energy: 1.8991885494800664
Energy: 2.4637063579322294
Energy: 2.4652500191063442
Energy: 1.899299267170198
Energy: 2.463267766058237
Energy: 2.4630958085517127
Energy: 1.8963559085459722
Energy: 2.462929120892063
Energy: 2.4637768913863876
Energy: 1.89818201128618
Energy: 2.4646616119255045
Energy: 2.1917907465316406
Energy: 1.8994084527477455
Energy: 2.1919769964794664
Energy: 2.4424846730717538
Energy: 1.8949654458112126
Energy: 2.192322591271115
Energy: 2.1911624938729224
Energy: 1.8996743658983777
Energy: 2.1917062147281037
Energy: 2.2406996591851014
Energy: 1.8949476498278306
Energy: 2.192113462411684
Energy: 2.191288119892156
Energy: 1.9535196463802205
Energy: 2.1914540040869253
Energy: 2.1923464768292047
Energy: 1.8984769808119408
Energy: 2.481804688012597
Energy: 1.9538433069123549
Energy: 1.9546259982057452
Energy: 2.1908959736269407
Energy: 2.4416203487568793
Energy: 1.896388118390755
Energy: 2.191988214317783
Energy: 2.194656157664996
Energy: 1.953182609537797
Energy: 2.1914557056370483
Energy: 2.464570993250992

minimum gb energy = 1.8949476498278306 eV
minimum distance =  2.36368622519275 Angstroms
sigma value = 11


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

Energy: 2.4920532930903687
Energy: 1.8320321296340933
Energy: 1.8652385728630085
Energy: 2.004878850847975
Energy: 1.8664988860008571
Energy: 1.8555528653299194
Energy: 2.292850536328506
Energy: 2.3095552867358213
Energy: 2.065150290260609
Energy: 2.063394531514874
Energy: 2.061143427367738
Energy: 2.4068765981001317
Energy: 2.291091001837348
Energy: 2.349636911473074
Energy: 2.352691344061982
Energy: 2.060008733473023
Energy: 2.351846219565832
Energy: 2.408742878593993
Energy: 2.289024108768477
Energy: 2.3494866210168177
Energy: 2.3532987151256206
Energy: 2.0604607191355075
Energy: 2.352436276796925
Energy: 2.402566400792639
Energy: 2.284913688306646
Energy: 2.350000636626479
Energy: 2.3520961148872064
Energy: 2.0883868375725716
Energy: 2.3500522007410165
Energy: 2.4043661715898494
Energy: 2.2880737074160113
Energy: 2.3513509907405927
Energy: 2.3554240262395174
Energy: 2.373472493275951
Energy: 2.3505570005041387
Energy: 2.3771248289008255
Energy: 2.060398047165291
Energy: 2.164756398079622
Energy: 2.351424266811564
Energy: 2.1638911596465498
Energy: 2.3508760998152356
Energy: 2.161769684067028
Energy: 1.828643329234103
Energy: 2.349740213148444
Energy: 2.350360618994036
Energy: 2.38072951996047
Energy: 2.3491492729567414
Energy: 2.160016866749099
Energy: 2.0592275753603984
Energy: 2.0608648088540127
Energy: 2.40946336518366
Energy: 2.4085795381669484
Energy: 2.1602493274293018
Energy: 2.060525219141083
Energy: 1.8319937263348134
Energy: 2.060279334777106
Energy: 2.061324793612472
Energy: 2.3806571650085364
Energy: 2.060692432236238
Energy: 1.8646141705883417
Energy: 1.8661880496735732
Energy: 2.060357098961271
Energy: 2.060987693326391
Energy: 2.3798370525883126
Energy: 2.060405150379749
Energy: 2.063527950584477
Energy: 1.864558233838858
Energy: 2.0606273481658883
Energy: 2.410112798918663
Energy: 2.408104127672688
Energy: 2.3075987530391937
Energy: 1.8648238824800834
Energy: 1.8651221566425478
Energy: 2.060462479716563
Energy: 2.3505125621214953
Energy: 2.4060104887487053
Energy: 2.06080729849465
Energy: 1.8649500911069812
Energy: 1.832599616576557
Energy: 1.8650969768273165
Energy: 2.275150126833385
Energy: 2.283713910141326
Energy: 2.061281725546654
Energy: 2.0607618788238766
Energy: 2.062048441892958
Energy: 2.061954398183711
Energy: 2.4101894738211174
Energy: 2.4099435363805455
Energy: 2.3516451837463266
Energy: 2.0598927768916053
Energy: 2.062303603736185
Energy: 2.349813096224354
Energy: 2.41056675151426
Energy: 2.3741520101706195
Energy: 2.348803574357246
Energy: 2.351991573569151
Energy: 2.0599655144721694
Energy: 2.349971636524013
Energy: 2.4048555307898702
Energy: 2.2869677766503123
Energy: 2.3495873833868117
Energy: 2.165917648086861
Energy: 2.2914671323221936
Energy: 2.3489965322452906
Energy: 2.311182813165293
Energy: 2.2846923511392343
Energy: 2.3501491316709995
Energy: 2.3528738764936983
Energy: 2.290870054764788
Energy: 2.3492466341708664
Energy: 2.3748112841341418
Energy: 2.2902286635617983
Energy: 2.3495912960468446
Energy: 2.2026246286744096
Energy: 2.05936508249012
Energy: 2.3497464556480963
Energy: 2.1645768412380995
Energy: 2.060120747137677
Energy: 2.3508064731618137
Energy: 2.3497484703371283
Energy: 2.2912600421204874
Energy: 2.3486340581334764
Energy: 2.159833098258276
Energy: 1.8287952297411412
Energy: 2.349499692245767
Energy: 2.4103472610425083
Energy: 2.2894363021336255
Energy: 2.148816714534248
Energy: 2.0626810048277173
Energy: 2.061985859628946
Energy: 2.060736561951123
Energy: 2.408078211274775
Energy: 2.289264450774021
Energy: 2.0608906204362833
Energy: 1.8652038001038835
Energy: 1.8326934054327857
Energy: 2.0604089676107074
Energy: 2.3485405890026665
Energy: 2.2872037653806974
Energy: 2.060933630619624
Energy: 2.064155507576
Energy: 1.865216242104551
Energy: 2.060198213836051
Energy: 2.352467419412636
Energy: 2.2929473643104243
Energy: 2.3503492874512784
Energy: 1.8649998541301382
Energy: 1.8663770917113776
Energy: 1.869615136958603
Energy: 2.407368490810319
Energy: 2.283634436361289
Energy: 2.061132935419165
Energy: 1.8656712246982363
Energy: 1.8662759697457831
Energy: 2.0606294148496405
Energy: 2.2754221132155115

minimum gb energy = 1.828643329234103 eV
minimum distance =  2.33768003895148 Angstroms
sigma value = 41


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

Energy: 3.4387950835451613
Energy: 1.7597267554067118
Energy: 1.799929604341157
Energy: 1.7998041410489658
Energy: 1.8006274371598612
Energy: 2.0868289688876307
Energy: 2.6362134954772762
Energy: 2.025978990993242
Energy: 1.7997918814750018
Energy: 1.935852853410994
Energy: 1.877650914303743
Energy: 2.0512145322703526
Energy: 2.77765408453235
Energy: 2.1819889014496
Energy: 1.800016667653973
Energy: 1.9357636659565831
Energy: 1.7996732801386148
Energy: 2.2796699855290234
Energy: 2.7525245516617716
Energy: 2.1702006597027514
Energy: 1.8001990777345684
Energy: 1.9360353612544838
Energy: 1.7999202826803253
Energy: 2.229063136927065
Energy: 2.7526813918549324
Energy: 2.1844320582173578
Energy: 2.171022690737464
Energy: 2.2166411569541893
Energy: 2.1849487619172763
Energy: 2.2239281441458982
Energy: 2.7775725040468178
Energy: 2.2747508135279517
Energy: 2.18703070088287
Energy: 2.2165810090762483
Energy: 2.3024752924590253
Energy: 2.2744367296487953
Energy: 2.3795584402290775
Energy: 2.275691041611225
Energy: 2.2752296469873636
Energy: 2.2751579675433
Energy: 2.2753328458957505
Energy: 1.8997978599324759
Energy: 2.222862520537829
Energy: 2.2759493493818246
Energy: 2.275292727725122
Energy: 2.2374790981805748
Energy: 2.2756739458367803
Energy: 2.264732656244799
Energy: 2.3789294768394242
Energy: 1.8998777431643066
Energy: 2.2755906732968136
Energy: 2.2756460257867883
Energy: 2.275307440741466
Energy: 2.2129705631723673
Energy: 2.2428751184411424
Energy: 1.8998718483159078
Energy: 2.192012120724396
Energy: 2.248069787247048
Energy: 1.8999059289594584
Energy: 2.2126465342200112
Energy: 1.9597829475058692
Energy: 1.899820031143878
Energy: 2.1912912356592336
Energy: 2.247406024972849
Energy: 2.191007006456219
Energy: 1.9003187637186678
Energy: 1.9588846703532408
Energy: 1.9007897236648466
Energy: 2.267221159921025
Energy: 2.2673828812443886
Energy: 1.899967253576958
Energy: 1.9001104917776366
Energy: 1.959615889335164
Energy: 1.8997337748235594
Energy: 1.9008445635525355
Energy: 2.2666985153134243
Energy: 1.9008254592463267
Energy: 1.8996743289847473
Energy: 1.9195155615615724
Energy: 1.8834717142583925
Energy: 1.7989072349375625
Energy: 1.7987203396343485
Energy: 1.9012119521710051
Energy: 1.883810248832792
Energy: 1.916484246025789
Energy: 1.8821175660194909
Energy: 2.2491980261813294
Energy: 2.260292370378445
Energy: 1.899716730581301
Energy: 1.8824212362806516
Energy: 1.9168053564896042
Energy: 1.977353171020714
Energy: 2.261033626492622
Energy: 2.249160480749154
Energy: 1.7359698513107293
Energy: 1.916750209864946
Energy: 1.8728963022611946
Energy: 1.7357288690037973
Energy: 1.7355481739098082
Energy: 2.251530770517665
Energy: 1.7360106734831857
Energy: 1.8733291166008446
Energy: 2.0595914769905517
Energy: 1.7350458528634904
Energy: 1.7359139169012927
Energy: 2.239941069306722
Energy: 1.7350970795425205
Energy: 2.0496223128210724
Energy: 2.048067179373374
Energy: 2.135988337386483
Energy: 2.250409571303755
Energy: 2.2501748572910727
Energy: 2.158207150825884
Energy: 1.8823825526251432
Energy: 2.0704369888348726
Energy: 2.138805696280719
Energy: 2.159997896652558
Energy: 2.2660039584556237
Energy: 2.159914070937641
Energy: 2.136624415427038
Energy: 2.393966095561615
Energy: 2.158370019919836
Energy: 2.2301984500289627
Energy: 2.2593123212449484
Energy: 2.159304907228285
Energy: 2.158362472896129
Energy: 2.3939919005647785
Energy: 2.1583075964687883
Energy: 2.2684782857738037
Energy: 2.2704785497977653
Energy: 2.192351716602319
Energy: 2.1587474602335512
Energy: 2.393395090171025
Energy: 2.2633136703242243
Energy: 2.2619071159861286
Energy: 2.2139562251080918
Energy: 2.262488584266768
Energy: 2.1933601824254767
Energy: 2.39399942897709
Energy: 2.1922454162535048
Energy: 2.26326843701823
Energy: 2.2652067705549674
Energy: 2.2632669191913575
Energy: 2.1597003501659167
Energy: 2.6355017851074973
Energy: 2.2628758810689913
Energy: 2.078384873466729
Energy: 2.2140020734405854
Energy: 2.2215572196849607
Energy: 2.283889349289414
Energy: 2.4755202593773733
Energy: 2.2052562668037003
Energy: 2.2165287753336345
Energy: 2.168777388060902
Energy: 2.046977640887417
Energy: 2.051612431217003
Energy: 2.4750222248968776
Energy: 2.204308093791038
Energy: 2.0507093654859476
Energy: 1.935532482931273
Energy: 1.7998351537038422
Energy: 2.204369938963009
Energy: 2.6361048043195066
Energy: 2.0477398291444007
Energy: 1.8747013417473364
Energy: 1.9356277789431788
Energy: 2.051200664774551
Energy: 2.2804652115136665
Energy: 2.7771791337415395
Energy: 1.799953569220825
Energy: 1.8983928160243984
Energy: 1.93560026815933
Energy: 1.9114623580699188
Energy: 1.8000128363528638
Energy: 2.7549773340892667
Energy: 1.7997530510188016
Energy: 1.8080978087277053
Energy: 1.7600655201651723
Energy: 1.7997750020499625
Energy: 1.7983541181644418
Energy: 2.777821848332601
Energy: 1.8743852057647574
Energy: 1.8755287738230877
Energy: 1.873007786495431
Energy: 1.8754523896419855
Energy: 2.1705382154347004
Energy: 2.7762672381713998
Energy: 1.9520462125835778
Energy: 1.800349563611222
Energy: 1.8001087469909614
Energy: 1.7995821228090227
Energy: 2.2793861465741574
Energy: 2.7477384146845267
Energy: 1.8772257493926092
Energy: 1.8004423333204038
Energy: 1.800056326128558
Energy: 1.7997704458789412
Energy: 1.9205244865409605

minimum gb energy = 1.7350458528634904 eV
minimum distance =  2.36162851402075 Angstroms
sigma value = 33


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

Energy: 2.7716380604075583
Energy: 1.6343781031584528
Energy: 1.63284118311691
Energy: 1.7919268509468498
Energy: 1.6337531390652251
Energy: 2.039626595155681
Energy: 2.8214104472377395
Energy: 1.8330003935868253
Energy: 1.6808358619594554
Energy: 1.7317640243839858
Energy: 1.6815561856486874
Energy: 1.8845381266783998
Energy: 3.0436297646456203
Energy: 1.8838931816502675
Energy: 1.815506836494377
Energy: 1.7289198910289951
Energy: 1.8161880836292619
Energy: 2.0150081707636143
Energy: 2.593509944594163
Energy: 1.8868129375316942
Energy: 1.8150879071434072
Energy: 1.7291981506791485
Energy: 1.8324808539531747
Energy: 1.9997810757297587
Energy: 2.5935214393849115
Energy: 1.8860734332010056
Energy: 1.8319685043860234
Energy: 1.9362043994960432
Energy: 1.8854035368165276
Energy: 2.0006457280952277
Energy: 3.039627478300609
Energy: 2.027830493191285
Energy: 1.844736975207097
Energy: 1.9344155885247383
Energy: 1.8442876004662643
Energy: 2.027536570855451
Energy: 2.8185159223687246
Energy: 2.0284132506313153
Energy: 2.017051576219526
Energy: 2.0167566453204024
Energy: 2.0260261627669096
Energy: 2.0325204902434497
Energy: 2.1914263301462924
Energy: 2.0285092409712355
Energy: 2.0316137862509898
Energy: 1.8873151280340987
Energy: 2.03348655322901
Energy: 2.0507669516519553
Energy: 2.817779091286543
Energy: 2.0338705656921126
Energy: 2.029750132857407
Energy: 2.026124709054858
Energy: 2.0320095668205624
Energy: 2.049242612131934
Energy: 2.5974510534022404
Energy: 2.0543547996413865
Energy: 2.0529014914488823
Energy: 2.0328594509052738
Energy: 2.0556889762050274
Energy: 2.053224719508802
Energy: 2.1936864777556595
Energy: 2.0534368718311766
Energy: 2.0601923347167506
Energy: 2.0279204690284796
Energy: 2.055709530993711
Energy: 2.054155774375224
Energy: 2.1920724789083152
Energy: 2.035479999464089
Energy: 2.0529640920261616
Energy: 2.054140632350836
Energy: 2.0554366097506156
Energy: 2.033725376361327
Energy: 2.3935468324704483
Energy: 2.025174635072476
Energy: 2.031398320142007
Energy: 2.0488945913605185
Energy: 2.0310521708106215
Energy: 2.026724283340617
Energy: 2.023766597083222
Energy: 2.017728339822462
Energy: 2.0269350719562063
Energy: 2.0538741149559807
Energy: 2.02630017871379
Energy: 1.8441384877136773
Energy: 1.8527248506255218
Energy: 2.017446434150755
Energy: 2.028468401763997
Energy: 2.0597267978391214
Energy: 2.0177863327952883
Energy: 2.0279295448985466
Energy: 2.0242866776177175
Energy: 1.843884319061876
Energy: 1.8442794921687642
Energy: 2.0170840971645103
Energy: 1.8436479567374615
Energy: 1.9332418785296386
Energy: 2.023762133238659
Energy: 1.8356976934828566
Energy: 2.0262299585316583
Energy: 2.0309060760461954
Energy: 1.8851481711068625
Energy: 1.9332246062163974
Energy: 1.7292546145869163
Energy: 1.8325200912130437
Energy: 1.8865914178784122
Energy: 2.0479091471025064
Energy: 1.885634518241398
Energy: 1.815602197017134
Energy: 1.7294864638544258
Energy: 1.6813504065068037
Energy: 2.0126968572218127
Energy: 2.026244932305858
Energy: 1.8840728276871732
Energy: 1.6340963296608724
Energy: 1.7309062072254329
Energy: 1.6339657971181074
Energy: 1.6819562160136319
Energy: 1.8440607889278398
Energy: 1.6822146461308982
Energy: 1.7300544065401364
Energy: 1.6328293904132742
Energy: 1.6342859644725567
Energy: 1.8831903335274707
Energy: 2.0315956866204363
Energy: 1.6836194670696583
Energy: 1.633852372627278
Energy: 1.6332617435075498
Energy: 1.6343222518587528
Energy: 1.8323139576090535
Energy: 2.029920235246728
Energy: 1.682243536188466
Energy: 1.6351179702831062
Energy: 1.6789455202284098
Energy: 1.6802799745205268
Energy: 1.8327151379744162
Energy: 1.8472526492268166
Energy: 1.6823072421758292
Energy: 1.6352495969062908
Energy: 1.6337297056136004
Energy: 1.6332284889002504
Energy: 1.9974720402285107
Energy: 1.9989605813824587
Energy: 1.6807907705010454
Energy: 1.633338764664769
Energy: 1.7295455521046295
Energy: 1.6801717196139063
Energy: 1.8783530132106288
Energy: 1.9979414051960855
Energy: 1.6883404986289163
Energy: 1.7294975671871295
Energy: 1.7292813184298215
Energy: 1.815983249738694
Energy: 2.0130579555180956
Energy: 2.0267968103649467
Energy: 1.8837991732870834
Energy: 1.8170976531786374
Energy: 1.728745648660669
Energy: 1.816015372713078
Energy: 1.8856137724031925
Energy: 2.0562099831679213
Energy: 1.8852752783878495
Energy: 1.815183599561657
Energy: 2.023902134250421
Energy: 1.8318229793801144
Energy: 1.9968666570754676
Energy: 2.0503432723013755
Energy: 1.8866631810960086
Energy: 1.9327288121356565
Energy: 2.0235701897576654
Energy: 1.8441641402207987
Energy: 2.032276188225416
Energy: 2.0561475950305823
Energy: 1.8437900143256758
Energy: 1.8438168481453572
Energy: 2.0249927617979355
Energy: 2.017848126451934
Energy: 2.031196694248671
Energy: 2.0494213445887266
Energy: 2.0262962733868912
Energy: 2.0301085363628726
Energy: 2.0237743931043433
Energy: 2.029939813605659
Energy: 2.051655772334177
Energy: 2.0474553380256535
Energy: 2.0270044625930215
Energy: 1.8438141017033882
Energy: 2.397096330780962
Energy: 2.0264369951695183
Energy: 2.0341648683782676
Energy: 2.049571655131761
Energy: 2.0314551329577974
Energy: 2.0273074011748857
Energy: 2.395525176202702
Energy: 2.0528522061862997
Energy: 2.0525223621711772
Energy: 2.0538108981944
Energy: 2.0547235300427493
Energy: 2.0598633471107086
Energy: 2.396499304426915
Energy: 2.053042574050597
Energy: 2.05525398700014
Energy: 1.9977000251066093
Energy: 2.054468716883483
Energy: 2.048453723561369
Energy: 2.8189552982607173
Energy: 2.054632442249245
Energy: 2.055064316425584
Energy: 1.9980745614151119
Energy: 2.0549204368028753
Energy: 2.052534022680191
Energy: 2.8195688114540847
Energy: 2.0315183029897184
Energy: 2.0269060608985123
Energy: 2.0251342736399383
Energy: 2.0289710609809632
Energy: 2.0429093413541555
Energy: 2.3946411636934672
Energy: 2.0276754022496335
Energy: 1.8446855593400746
Energy: 1.9336472911388973
Energy: 2.0389424805341183
Energy: 2.052936421439936
Energy: 2.8192714760562847
Energy: 2.0276697443390677
Energy: 2.029334105260832
Energy: 1.9710462241678295
Energy: 2.0194922317719146
Energy: 2.03247312583912
Energy: 3.041437794135854
Energy: 1.8478567876777827
Energy: 1.8437082052300964
Energy: 1.9341217508388593
Energy: 1.8437135494107386
Energy: 2.0307940201929147
Energy: 2.816906988617065
Energy: 1.8871832956076973
Energy: 1.932857690980442
Energy: 1.9338042503023416
Energy: 1.8317974194899793
Energy: 2.025581045427511
Energy: 2.815919867296
Energy: 1.885373927045536
Energy: 1.8150573744057978
Energy: 1.7300057515863734
Energy: 1.8328468351630525
Energy: 1.891951956113264
Energy: 3.041442494329478
Energy: 1.8319345725860892
Energy: 1.816987264668352
Energy: 1.7291361953688011
Energy: 1.831989638434758
Energy: 2.0129801238239957
Energy: 2.816336300839966
Energy: 1.6825051073679116
Energy: 1.6797836326128053
Energy: 1.7298839320031292
Energy: 1.6822595377440857
Energy: 1.8880899299732143
Energy: 2.813992000830505
Energy: 1.6817773531644857
Energy: 1.633273051441101
Energy: 1.634390070219991
Energy: 1.6341151270171506
Energy: 2.0267009433316763
Energy: 3.0461649863208553
Energy: 1.8675829426860562
Energy: 1.6799386002243404
Energy: 1.6804567527246916
Energy: 1.685612768779526
Energy: 1.83248466881998
Energy: 3.0441556569978276
Energy: 1.832944987888276
Energy: 1.6349412311581328
Energy: 1.6337779223796145
Energy: 1.6341390350398775
Energy: 1.8324831527658367
Energy: 3.0367416676150887
Energy: 1.6824096800042365
Energy: 1.6335563181130195
Energy: 1.6335714129419536
Energy: 1.634208406079538
Energy: 2.0000612421228747

minimum gb energy = 1.6328293904132742 eV
minimum distance =  2.41570779321539 Angstroms
sigma value = 67


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

Energy: 0.7252141296017627
Energy: 1.1022584473509958
Energy: 1.1021181732357577
Energy: 0.8983909576284174
Energy: 1.1024716724699242
Energy: 0.7255188804080873
Energy: 2.743867591179848
Energy: 0.8987184012151368
Energy: 0.8988009005328921
Energy: 0.8983719803182805
Energy: 0.8983486540046838
Energy: 0.8984243769987941
Energy: 2.745555843720128
Energy: 0.8986803309807669
Energy: 0.8986774031670187
Energy: 0.9264061430689229
Energy: 0.89876784071534
Energy: 0.8987669694866265
Energy: 0.7255598523067553
Energy: 0.898671702347738
Energy: 0.898563358726101
Energy: 0.8986051568742095
Energy: 0.8987597591838267
Energy: 0.7257973797849304
Energy: 0.7260019278664264
Energy: 0.9305882416968849
Energy: 0.8987387614572261
Energy: 0.9020067992665365
Energy: 0.9267851674151766
Energy: 0.7274966651768334
Energy: 3.002320227150379
Energy: 0.8987486651111248
Energy: 0.898590600103472
Energy: 0.8983729589124414
Energy: 0.8984166027059
Energy: 0.8986254033136625
Energy: 0.726090963957754
Energy: 0.8985371205520865
Energy: 0.8986224597643491
Energy: 0.92665129544607
Energy: 0.898523864540524
Energy: 0.8988799716524408

minimum gb energy = 0.7252141296017627 eV
minimum distance =  2.66226043825371 Angstroms
sigma value = 3


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

Energy: 3.165710548297378
Energy: 1.568798419569452
Energy: 1.570496002944047
Energy: 1.8115148951029392
Energy: 1.57028797707078
Energy: 1.8612564256551392
Energy: 3.0306569830158474
Energy: 1.5682323483028955
Energy: 1.5850441341281771
Energy: 1.58621418703074
Energy: 1.5842095805845553
Energy: 1.5682202081781622
Energy: 3.0342069259044826
Energy: 1.5691241943452263
Energy: 1.5843792433779287
Energy: 1.587207745447053
Energy: 1.5847283813619342
Energy: 1.5688327325174543
Energy: 3.029865286742595
Energy: 1.5680416562171022
Energy: 1.5689271513075647
Energy: 1.5734757713156922
Energy: 1.5681627751546356
Energy: 1.594936780066456
Energy: 3.0296241740246064
Energy: 1.5682279238434729
Energy: 1.5685733090816054
Energy: 1.7145047310523187
Energy: 1.5684124971867708
Energy: 1.5952037814464355
Energy: 3.0338577184949234
Energy: 1.579831109293646
Energy: 1.5838839934775566
Energy: 1.7563987959561005
Energy: 1.5838645761835255
Energy: 1.5791612942771014
Energy: 3.0304840781656552
Energy: 1.5684778047569286
Energy: 1.567622807028302
Energy: 1.7148252827190489
Energy: 1.567414178633356
Energy: 1.5685792306775859
Energy: 2.8069470502545526
Energy: 1.5964353666757567
Energy: 1.5793443213412273
Energy: 1.5982653812770047
Energy: 1.5962115933896353
Energy: 1.92262249231159
Energy: 3.030589328612973
Energy: 1.5678175307736903
Energy: 1.5678854409458538
Energy: 1.7388809533266625
Energy: 1.5679926276587692
Energy: 1.568829491793261
Energy: 3.0342634459947146
Energy: 1.5963077572814015
Energy: 1.577334042006444
Energy: 1.742986336519182
Energy: 1.596871713696418
Energy: 1.5962778706709242
Energy: 2.8087433095631273
Energy: 1.914846938616361
Energy: 1.5984377083681445
Energy: 1.7436163981497679
Energy: 1.9150943182268783
Energy: 1.9212590387037054
Energy: 2.809102708015458
Energy: 1.9037314701837313
Energy: 1.577901498554386
Energy: 1.57851777475186
Energy: 1.780273254323986
Energy: 1.9147907024108717
Energy: 2.810645924420466
Energy: 1.9027457462385342
Energy: 1.5941826365171083
Energy: 1.5617222686927104
Energy: 1.5955655706012897
Energy: 1.9198512768603546
Energy: 2.811483997661392
Energy: 1.9416215402097896
Energy: 1.9055916126104413
Energy: 1.8076070918618987
Energy: 1.9196597753483047
Energy: 1.9452305232600293
Energy: 2.4067437087068626
Energy: 1.919703535891543
Energy: 1.923626576036408
Energy: 1.9253602110810841
Energy: 1.9225702404610805
Energy: 1.9184283548754757
Energy: 2.4141093527962627
Energy: 1.9213435732769575
Energy: 1.9164009062887777
Energy: 1.624852217240794
Energy: 1.921411505320399
Energy: 1.924431153104355
Energy: 2.414041306463015
Energy: 1.9201114608821181
Energy: 1.9273620579070363
Energy: 1.9449762132547144
Energy: 1.9244069895927236
Energy: 1.905442539914926
Energy: 2.4091865448133736
Energy: 1.595861123650926
Energy: 1.903335591491692
Energy: 1.9221819893408245
Energy: 1.5778356903902864
Energy: 1.579823428359308
Energy: 2.410489388428877
Energy: 1.9023587490051264
Energy: 1.915185178528379
Energy: 1.9394909058128709
Energy: 1.9029760265772049
Energy: 1.7810969483492076
Energy: 2.0352136706883686
Energy: 1.5788964314071023
Energy: 1.9179510537479163
Energy: 1.9386718654481736
Energy: 1.9037035086617426
Energy: 1.5783487732795745
Energy: 2.0338248122821945
Energy: 1.5973037575392481
Energy: 1.5962838619888395
Energy: 1.574494721627913
Energy: 1.5981486100728277
Energy: 1.5774363577791448
Energy: 2.098075863291136
Energy: 1.5676520299505967
Energy: 1.5679625525340273
Energy: 1.5975494383373798
Energy: 1.568141423883588
Energy: 1.5676224159550376
Energy: 1.7322287381220576
Energy: 1.5964248340405949
Energy: 1.889999738075403
Energy: 1.9434381516161612
Energy: 1.5969677176297083
Energy: 1.5971865601763549
Energy: 1.7122901426375754
Energy: 1.5674618094471284
Energy: 1.5683956880877379
Energy: 1.599197860667021
Energy: 1.568237622025404
Energy: 1.568001782399963
Energy: 1.7532747383384757
Energy: 1.5834522404792193
Energy: 1.5687888747867196
Energy: 1.5958209734021447
Energy: 1.568382739665788
Energy: 1.5843999489864602
Energy: 1.7182286386699879
Energy: 1.5683080945746168
Energy: 1.561653619048133
Energy: 1.8852202177318194
Energy: 1.568740082648017
Energy: 1.5684445710991557
Energy: 1.5756359906196538
Energy: 1.5685940802499876
Energy: 1.5618673653349826
Energy: 1.884457201309289
Energy: 1.5683052341360784
Energy: 1.5682325265037764
Energy: 1.5893753094392797
Energy: 1.5848549729846215
Energy: 1.569100908803928
Energy: 1.5757151996298517
Energy: 1.5686889369371353
Energy: 1.5851549614849563
Energy: 1.588584570757407
Energy: 1.5844455743158135
Energy: 1.5687857443918165
Energy: 1.5973404557875364
Energy: 1.5836959449282493
Energy: 1.584423320978481
Energy: 1.5711581935574146
Energy: 1.5682739494887743
Energy: 1.5962815220004842
Energy: 1.9265868655779506
Energy: 1.5683641629157676
Energy: 1.5682759241686046
Energy: 1.7516990535736086
Energy: 1.5832147185879781
Energy: 1.568478218426245
Energy: 1.5976018604078641
Energy: 1.5835057810185589
Energy: 1.5839506751586077
Energy: 1.7147736614817066
Energy: 1.567519130590549
Energy: 1.5691544447385883
Energy: 1.5741409853235337
Energy: 1.568497979495703
Energy: 1.5679285404280743
Energy: 1.7297791928747537
Energy: 1.5797553989842545
Energy: 1.5949786703517057
Energy: 1.9035637641411904
Energy: 1.5954237193114518
Energy: 1.5773055101602678
Energy: 2.0314082364755857
Energy: 1.5779926956244388
Energy: 1.5964042856755818
Energy: 1.9177008773210578
Energy: 1.5964395951370705
Energy: 1.576879656705319
Energy: 2.076028823332652
Energy: 1.5680730025972858
Energy: 1.5977186043465954
Energy: 1.5744919811849
Energy: 1.5984687442533574
Energy: 1.5681006770756079
Energy: 2.0379875891594414
Energy: 1.5961916982193165
Energy: 1.5962139972633242
Energy: 1.9003607349945797
Energy: 1.5976360132400416
Energy: 1.5790345763782399
Energy: 2.038245108160843
Energy: 1.9156860816055463
Energy: 1.9214151547193261
Energy: 1.8085491152214352
Energy: 1.9183584724464156
Energy: 1.901260701138294
Energy: 2.2919563079242904
Energy: 1.5955628048002242
Energy: 1.5956203344411595
Energy: 1.9189831069313286
Energy: 1.5957544233702945
Energy: 1.5972061777905104
Energy: 2.4096580233320375
Energy: 1.9145656774124657
Energy: 1.9228341140727563
Energy: 1.9253441005826832
Energy: 1.9219926569734875
Energy: 1.901821425205332
Energy: 2.41517992853002
Energy: 1.9437012125231523
Energy: 1.9205321523975925
Energy: 1.5970364753807582
Energy: 1.9252619926335353
Energy: 1.9269588118396594
Energy: 2.604263361778835
Energy: 1.925904407100984
Energy: 1.9447945229819954
Energy: 1.926568056153369
Energy: 1.9464370797606485
Energy: 1.9188043339300163
Energy: 2.6047231430856876
Energy: 1.927596520428563
Energy: 1.9199284710903544
Energy: 1.9054421531827204
Energy: 1.9460996584774672
Energy: 1.7792762526715238
Energy: 2.8118863579629596
Energy: 1.921369861628809
Energy: 1.901862614555294
Energy: 1.6010999599427984
Energy: 1.916802676366342
Energy: 1.9228509893385226
Energy: 2.8117667135722266
Energy: 1.5962403463287556
Energy: 1.595100606444966
Energy: 1.5986926631759621
Energy: 1.5959760217651535
Energy: 1.5970918704206671
Energy: 2.7173880644448274
Energy: 1.9215593971211986
Energy: 1.9168084276617368
Energy: 1.598181712011763
Energy: 1.9197785410504664
Energy: 1.9388780268600294
Energy: 3.0308234632988555
Energy: 1.5970701343369917
Energy: 1.595526613521016
Energy: 1.7413396297060226
Energy: 1.5960740150022155
Energy: 1.596855906537155
Energy: 3.0326173105876593
Energy: 1.568146470284066
Energy: 1.5674160585278856
Energy: 1.7395531833980398
Energy: 1.567592383148237
Energy: 1.5964469985897238
Energy: 3.0118824029729563
Energy: 1.5957018633426066
Energy: 1.5766126431531386
Energy: 1.743626399751045
Energy: 1.5969277100102683
Energy: 1.8830684536188385
Energy: 3.0118324349336363
Energy: 1.5957106631228724
Energy: 1.5760193039621704
Energy: 1.7188031967758286
Energy: 1.579787744949943
Energy: 1.8823845879315144
Energy: 3.031961622355267
Energy: 1.5687381273644847
Energy: 1.5680230799048358
Energy: 1.7128234394264308
Energy: 1.5679548059598736
Energy: 1.5795180266452291
Energy: 3.019393742755996
Energy: 1.5685747309654492
Energy: 1.5842069266965189
Energy: 1.7607164307217646
Energy: 1.5835395070744853
Energy: 1.5686521604022812

minimum gb energy = 1.561653619048133 eV
minimum distance =  2.41732200037984 Angstroms
sigma value = 81


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

Energy: 3.514113413171925
Energy: 1.713472599776775
Energy: 1.7147819125437114
Energy: 1.969679770656532
Energy: 1.7141238282576297
Energy: 2.119258228846992
Energy: 2.675919408131095
Energy: 1.7184749967776471
Energy: 1.7285529452137134
Energy: 1.7282863230495058
Energy: 1.7282491593788625
Energy: 1.712543038390393
Energy: 2.6819000527176193
Energy: 1.7155799672942311
Energy: 1.728660299561374
Energy: 1.7287160262935863
Energy: 1.7288284527314925
Energy: 1.7134569255873693
Energy: 2.771868298698161
Energy: 1.714647891819612
Energy: 1.712840753413433
Energy: 1.7127730613849281
Energy: 1.7128573091081416
Energy: 1.720534846774862
Energy: 2.6685954525314908
Energy: 1.7124005018793975
Energy: 1.7127073329588012
Energy: 1.9172441491359833
Energy: 1.7127617406096582
Energy: 1.7198913625485241
Energy: 2.681343484340266
Energy: 1.7227703849237541
Energy: 1.7283500264760063
Energy: 1.9642361064819531
Energy: 1.7282164525957813
Energy: 1.7243043657207313
Energy: 2.6758573878923917
Energy: 1.7128370117321199
Energy: 1.7124858526293238
Energy: 1.918702266567473
Energy: 1.7124585750735277
Energy: 1.7129840455666696
Energy: 2.803016649325849
Energy: 1.7231730385512682
Energy: 1.758453921250416
Energy: 1.8181909756800199
Energy: 1.7227732120813741
Energy: 1.7013966557972922
Energy: 2.6757560546661296
Energy: 1.7123917027688906
Energy: 1.7124006730796262
Energy: 2.040315893552984
Energy: 1.7125016735318013
Energy: 1.7133321951172704
Energy: 2.6790059744237884
Energy: 1.9540375952504665
Energy: 1.7228142822279766
Energy: 1.934305857099799
Energy: 1.7233507296266866
Energy: 1.9536885584445562
Energy: 2.4932378882553734
Energy: 1.7333847809301908
Energy: 1.723060291902252
Energy: 2.1647251787496455
Energy: 1.9546473791205228
Energy: 1.7074822673108345
Energy: 2.6787711798248135
Energy: 2.0672459711983193
Energy: 1.9670488556193404
Energy: 1.7230592772533364
Energy: 1.9534019418747757
Energy: 1.7040780875698776
Energy: 2.4005058028594064
Energy: 1.7335091079939684
Energy: 1.7230137768609959
Energy: 1.7240469774369929
Energy: 1.9732583414980116
Energy: 1.7045535485934977
Energy: 2.3977130349052738
Energy: 1.7330124385453123
Energy: 2.1248305121934368
Energy: 1.696941648961644
Energy: 1.734600797580395
Energy: 1.7351448230222248
Energy: 2.406259477733409
Energy: 1.704163537188529
Energy: 1.6959402954693055
Energy: 1.6982398923111954
Energy: 1.7041652337289959
Energy: 1.7040628840904803
Energy: 2.0096747645621993
Energy: 1.7046708607294414
Energy: 1.7017027976885908
Energy: 1.722634885817443
Energy: 1.7345979443020227
Energy: 1.706801574199119
Energy: 2.0133336125869707
Energy: 1.7040937661911058
Energy: 1.6961206147435584
Energy: 1.7027611735251744
Energy: 1.704169564660246
Energy: 1.7046630921947572
Energy: 2.0574624768252647
Energy: 1.7053040469454621
Energy: 1.6964146750144924
Energy: 2.1146843201439935
Energy: 1.7075721528868006
Energy: 1.7056392314230489
Energy: 2.000432762517475
Energy: 1.6959305370337954
Energy: 1.6955572706674684
Energy: 2.1186053121192376
Energy: 1.6957223153466179
Energy: 1.6963453688480492
Energy: 1.7998562073882725
Energy: 1.6960859296624389
Energy: 1.695618114516499
Energy: 2.1161887389298992
Energy: 1.6957002417047797
Energy: 1.696239980090591
Energy: 1.8175612347601349
Energy: 1.7053415450797715
Energy: 1.7007334611539262
Energy: 1.7036291416066953
Energy: 1.706301887629715
Energy: 1.705748579658315
Energy: 1.8268979911553296
Energy: 1.719535239637774
Energy: 1.6961680675651931
Energy: 2.11536240293445
Energy: 1.7204338513897075
Energy: 1.719589803602047
Energy: 2.084495675825559
Energy: 1.7291292832148493
Energy: 1.7335345878207238
Energy: 1.7443007877445758
Energy: 1.7290484129526018
Energy: 1.7284286594467757
Energy: 1.977696289953083
Energy: 1.719831339784294
Energy: 1.6965169470178145
Energy: 1.6971487335845004
Energy: 1.7194496905330299
Energy: 1.7198342759078007
Energy: 1.9341302305320933
Energy: 1.727445760196307
Energy: 1.7270748766582704
Energy: 1.7038301954287352
Energy: 1.727042738712351
Energy: 1.7259682566282977
Energy: 1.9431604773290585
Energy: 1.7317066796506746
Energy: 1.706011179909365
Energy: 1.7013437013596118
Energy: 1.7059049219263966
Energy: 1.7319459168494369
Energy: 2.3806494540340686
Energy: 1.7314105109157845
Energy: 1.7061169944853722
Energy: 1.7014549660950347
Energy: 1.7060056702078483
Energy: 1.7059086537742398
Energy: 2.299757237687709
Energy: 1.7265394286673237
Energy: 1.7061159834882222
Energy: 1.9679841037542676
Energy: 1.7060804261282012
Energy: 1.7271556526072105
Energy: 2.3828573192975653
Energy: 1.7060666795662411
Energy: 2.12541371575054
Energy: 1.722096304634016
Energy: 1.8788014169385214
Energy: 1.7058959785869068
Energy: 2.3808894630496127
Energy: 1.7196291390596457
Energy: 1.721959687187798
Energy: 1.8220187543750836
Energy: 1.722006053809957
Energy: 1.9815800212977643
Energy: 2.7769156170038847
Energy: 1.8791104699506915
Energy: 1.9816178064829806
Energy: 1.8226939768064074
Energy: 1.8805891949233724
Energy: 1.7235653839467115
Energy: 2.676004466797371
Energy: 1.9818827838592719
Energy: 1.7229798719365736
Energy: 1.8236794991231828
Energy: 1.7222594459817804
Energy: 1.879766831268781
Energy: 2.6796395053247863
Energy: 1.7223124496872575
Energy: 1.7125418778782344
Energy: 1.9369753585516853
Energy: 1.712566878649085
Energy: 1.7227550886178482
Energy: 2.675638927259783
Energy: 1.7224541763213115
Energy: 1.7217182986531743
Energy: 1.935357187499276
Energy: 1.7217870038469523
Energy: 1.7025225372327388
Energy: 2.7691021608067
Energy: 1.722181617279317
Energy: 1.7250845941045723
Energy: 1.921468690809965
Energy: 1.724286236458525
Energy: 2.065862973029128
Energy: 2.680129502758166
Energy: 1.7122239020672085
Energy: 1.7124087473397944
Energy: 1.9168336409913114
Energy: 1.7121946606070793
Energy: 1.7140682406041523
Energy: 2.6760497058021104
Energy: 1.718532553664066
Energy: 1.7275754090454378
Energy: 1.963010180488789
Energy: 1.7276178729459009
Energy: 1.7123304766021563
Energy: 3.0564659876418
Energy: 1.7143652936206992
Energy: 1.7125595103255724
Energy: 1.7175798032659921
Energy: 1.712501102757925
Energy: 1.7018751974647264

minimum gb energy = 1.6955572706674684 eV
minimum distance =  2.40446621973372 Angstroms
sigma value = 43


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

Energy: 3.0796744261068327
Energy: 1.7887314236466096
Energy: 1.788818750164013
Energy: 1.7874531431122724
Energy: 1.7888018818831843
Energy: 1.7853691310245572
Energy: 2.347780887580484
Energy: 1.790274438923395
Energy: 1.8018372053467249
Energy: 1.8059372693475608
Energy: 1.8022558631559293
Energy: 1.7976871841541626
Energy: 2.347119378049014
Energy: 1.8028835403579755
Energy: 1.8018628796873704
Energy: 1.8016123810949982
Energy: 1.802153138053768
Energy: 1.788119158335927
Energy: 2.639408337098081
Energy: 1.7885827465106516
Energy: 1.7876665611869806
Energy: 1.7878509470152582
Energy: 1.788168263697345
Energy: 1.9879657386546246
Energy: 2.6394003881589603
Energy: 1.7886129473990262
Energy: 1.787745882567434
Energy: 2.046564786010489
Energy: 1.787697493999257
Energy: 1.98852071241264
Energy: 2.3490663312587765
Energy: 1.7872276619744598
Energy: 1.8017759345987547
Energy: 2.0456172468323874
Energy: 1.8024079377863138
Energy: 1.7857305257135658
Energy: 2.346692716837132
Energy: 1.7894167487738835
Energy: 1.787651706992426
Energy: 2.048999679788719
Energy: 1.787641146697259
Energy: 2.082535958698393
Energy: 2.6442147075854754
Energy: 1.988529652580713
Energy: 2.091141824111656
Energy: 2.055223566138016
Energy: 1.7882665290527275
Energy: 2.0822568685681078
Energy: 2.346837269619944
Energy: 1.7927522369740085
Energy: 1.7874127640388486
Energy: 2.303244734000025
Energy: 1.7875415234341718
Energy: 1.7917696483394343
Energy: 2.6610252106323293
Energy: 2.0817784410527946
Energy: 1.7930931144826872
Energy: 1.7965306755236923
Energy: 1.7956347712645195
Energy: 1.7875505514411965
Energy: 2.34720100630685
Energy: 1.7877639510789545
Energy: 2.083995730422914
Energy: 2.1072746493761714
Energy: 2.0831897351631175
Energy: 1.7876371231853951
Energy: 2.6590444556349
Energy: 1.7901616607805715
Energy: 1.9889043935790884
Energy: 1.7870741416628182
Energy: 1.7961503970657773
Energy: 1.7891888765693094
Energy: 2.051585536107011
Energy: 1.7914596604265494
Energy: 1.7860921978363544
Energy: 1.78671072347618
Energy: 2.0795023605142995
Energy: 1.7963347235380103
Energy: 2.043248416453615
Energy: 1.7874953896714798
Energy: 1.7881139802516077
Energy: 1.7889166143972757
Energy: 1.7874926961295385
Energy: 1.787473278306957
Energy: 2.0444449361452786
Energy: 1.801647303045352
Energy: 1.7880539910175661
Energy: 1.7955005839350524
Energy: 1.8031782774846845
Energy: 1.801540244980902
Energy: 1.7956178814932384
Energy: 1.787718668932724
Energy: 1.7862355757117037
Energy: 1.786181803827329
Energy: 1.7874628383385087
Energy: 1.7944885781813036
Energy: 1.8084957343422396
Energy: 1.803854766173388
Energy: 1.7896502841904252
Energy: 2.1231267501586712
Energy: 1.8054112924675723
Energy: 1.8047672378341681
Energy: 1.801495160099577
Energy: 1.8030017196563461
Energy: 1.7878648699838176
Energy: 1.7886487745491528
Energy: 1.801566908507327
Energy: 1.8025002718920344
Energy: 1.7881925631344533
Energy: 1.787971090147537
Energy: 1.788574271746185
Energy: 1.9878175558673916
Energy: 1.789018945812462
Energy: 1.7880399602616242
Energy: 2.044364099444866
Energy: 1.7876708045685303
Energy: 1.7885598419905357
Energy: 2.082046470833758
Energy: 1.7887686203829833
Energy: 1.7875445034350796
Energy: 2.0928897881386073
Energy: 1.8015172175823966
Energy: 1.7856765759540902
Energy: 1.7928887787619114
Energy: 1.802103026326785
Energy: 1.8014178977172801
Energy: 2.0435042983427323
Energy: 1.787486287019201
Energy: 1.7975767117669461
Energy: 1.9879260680291564
Energy: 1.7879550011472742
Energy: 1.7875449963165002
Energy: 2.051995894238138
Energy: 1.7877266728633865
Energy: 2.0954793977428148
Energy: 2.065910255391101
Energy: 1.7877418570168866
Energy: 1.79070504354625
Energy: 2.2994493312305124
Energy: 1.7876096512665067
Energy: 1.7978287010388403
Energy: 1.8544498536270984
Energy: 1.7891951795495407
Energy: 1.7876895312509162
Energy: 2.347247091773559
Energy: 1.798837021228239
Energy: 1.7920166240431648
Energy: 1.796064109480947
Energy: 1.9883845746202156
Energy: 1.7891587406399418
Energy: 2.3493579433336587
Energy: 1.9880334411282556
Energy: 1.7884137481561935
Energy: 1.7960592207026984
Energy: 1.789852328896686
Energy: 1.7883371050441497
Energy: 2.2992407664683165
Energy: 2.083182322588869
Energy: 1.7915567574541262
Energy: 1.796554057609832
Energy: 1.7900840773912272
Energy: 1.9884407387746468
Energy: 3.0056868100640197
Energy: 1.9882212152224015
Energy: 1.7923490655212442
Energy: 2.0530189394848826
Energy: 1.7894224335136786
Energy: 1.7861013772690537
Energy: 2.348509910940448
Energy: 1.7889274173201863
Energy: 1.7874566238912437
Energy: 2.0478544122843925
Energy: 1.7873360471356101
Energy: 1.7933165939314741
Energy: 2.3468804433241064
Energy: 1.7875294010913383
Energy: 1.8013912894590915
Energy: 2.046818253621486
Energy: 1.8032051336983466
Energy: 1.7886766199239041
Energy: 2.978190963599014
Energy: 1.7875736654447507
Energy: 1.7875522261058847
Energy: 1.7954082161255844
Energy: 1.7875932913200943
Energy: 1.7864459189495752

minimum gb energy = 1.7853691310245572 eV
minimum distance =  2.41869175540953 Angstroms
sigma value = 57


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

Energy: 2.931151338279552
Energy: 1.9590537340669392
Energy: 1.9575166500174848
Energy: 1.9572405147115859
Energy: 1.958197664860756
Energy: 1.9448130990725092
Energy: 2.7425668259874985
Energy: 1.9628322212406246
Energy: 1.9611152235264033
Energy: 1.9655867833020275
Energy: 1.9610432913229117
Energy: 1.9536332631975963
Energy: 2.750508139256297
Energy: 1.9655718893504326
Energy: 1.9643420736578694
Energy: 1.9639066272424421
Energy: 1.9645456515647224
Energy: 1.9251780558032563
Energy: 2.5136460030242147
Energy: 1.949512568885431
Energy: 1.9501226749846918
Energy: 1.9502853019601971
Energy: 1.9498644822312268
Energy: 1.915481026602351
Energy: 2.512524536102574
Energy: 1.9494338531547126
Energy: 1.9493467866034295
Energy: 2.10613285041736
Energy: 1.9492582606042408
Energy: 1.9183891868740393
Energy: 2.747463282870437
Energy: 1.9497030187831788
Energy: 1.9631809562174982
Energy: 2.135303974334525
Energy: 1.9640747047246294
Energy: 1.9407784739790268
Energy: 2.743938657826041
Energy: 2.212970503567548
Energy: 1.94970735439706
Energy: 1.8925922089243858
Energy: 1.9493442824327982
Energy: 1.9046271952476965
Energy: 2.4901036367715683
Energy: 1.9059800214826987
Energy: 2.0692822170557794
Energy: 1.8924936147271816
Energy: 2.08823560081303
Energy: 1.9055556611317521
Energy: 2.6432416513117167
Energy: 2.212921099001744
Energy: 1.9158804193187746
Energy: 1.914590751420732
Energy: 2.0889494698069346
Energy: 1.9046126183036582
Energy: 2.445972107360143
Energy: 1.9071581539491715
Energy: 2.088334078712487
Energy: 1.9145126550050113
Energy: 2.0884789197752696
Energy: 1.9089451708680982
Energy: 2.446689702597513
Energy: 1.9017914884175562
Energy: 2.0841768017839173
Energy: 1.896473206035439
Energy: 1.9045071611810902
Energy: 1.90186009364262
Energy: 2.442311843279038
Energy: 1.8922875048909622
Energy: 1.895911733359699
Energy: 1.8918104928741994
Energy: 1.8966561146118635
Energy: 1.8925842781771014
Energy: 2.084614477367061
Energy: 1.900215408219396
Energy: 1.8906309008562088
Energy: 1.9000376311987022
Energy: 1.8934488224107535
Energy: 1.8975389221538526
Energy: 2.0817163501192915
Energy: 1.8908501439808068
Energy: 1.8907805591387925
Energy: 1.8971974003241334
Energy: 1.891210584536632
Energy: 1.8912354059588141
Energy: 2.1006912009014145
Energy: 1.9172947773537763
Energy: 1.9167646991473832
Energy: 1.892621692328698
Energy: 1.9166492511187934
Energy: 1.9170246521408543
Energy: 2.09923615334937
Energy: 1.925055832249596
Energy: 2.408145123367061
Energy: 1.9172713847659115
Energy: 1.925210298822117
Energy: 1.9270098032077065
Energy: 2.3287639216719374
Energy: 1.9245102561505794
Energy: 1.916754349139201
Energy: 2.6148153098396922
Energy: 1.9171962162255372
Energy: 1.924335115712046
Energy: 2.327729442302435
Energy: 1.9243728223543317
Energy: 1.9057330439023024
Energy: 2.287001002006383
Energy: 1.9254416129713128
Energy: 1.924319497324006
Energy: 2.3295422542957
Energy: 1.9256358677901806
Energy: 1.9559167622935076
Energy: 2.125961550204539
Energy: 2.1195061352947446
Energy: 1.9266014871055932
Energy: 2.746962879652747
Energy: 2.239246153827524
Energy: 1.9560228132827988
Energy: 2.125854346500062
Energy: 2.2517410897462633
Energy: 1.9250207316796717
Energy: 2.464985957631915
Energy: 1.9248522434114046
Energy: 1.9548147323091805
Energy: 2.313392172410356
Energy: 2.119237342646397
Energy: 1.9145763279113068
Energy: 2.7468665136433277
Energy: 2.122091788858765
Energy: 1.9550180223364475
Energy: 2.310549035782876
Energy: 1.9575143480216723
Energy: 1.9247874786273111
Energy: 2.7424566216108865
Energy: 1.9537735915616932
Energy: 1.9603348291733451
Energy: 2.3521605956774727
Energy: 1.9618483703050242
Energy: 1.9585144826970522
Energy: 2.4855033049037085
Energy: 1.9555362559019556
Energy: 1.9552879894648598
Energy: 1.9630957079888016
Energy: 1.9551978604028106
Energy: 2.0974681757306533

minimum gb energy = 1.8906309008562088 eV
minimum distance =  2.40351650428173 Angstroms
sigma value = 17


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

Energy: 3.2516021949390166
Energy: 2.021869857054171
Energy: 2.022026221658263
Energy: 2.022553715925521
Energy: 2.0222226273399797
Energy: 2.5982548956390006
Energy: 2.077102484357743
Energy: 2.35431052018076
Energy: 2.022235505874006
Energy: 2.024852117755102
Energy: 2.0227398926422144
Energy: 2.0225009428033975
Energy: 2.0835454220828997
Energy: 2.3606003783987526
Energy: 2.024634321220056
Energy: 2.026928303636208
Energy: 2.02484379804286
Energy: 2.0227721514900634
Energy: 2.5943387444683106
Energy: 2.0214827329214256
Energy: 2.022107799958697
Energy: 2.0227938781492996
Energy: 2.0236248341256133
Energy: 2.1934994558542376
Energy: 2.5938905154353846
Energy: 2.1951437800723657
Energy: 2.021495109155777
Energy: 2.0778295496175456
Energy: 2.0213013099437656
Energy: 2.1942349622913038
Energy: 2.07874580371077
Energy: 2.3542930675505294
Energy: 2.3606489643245356
Energy: 2.0276914312536434
Energy: 2.3597340382901177
Energy: 2.359058617199889
Energy: 2.6004487887108914
Energy: 2.021446817211463
Energy: 2.021652620573552
Energy: 2.0772269613149437
Energy: 2.356440303036808
Energy: 2.021526541366782
Energy: 2.607884905006637
Energy: 2.3607169808432826
Energy: 2.0235384684590367
Energy: 2.0771863635584844
Energy: 2.3597679520234456
Energy: 2.0257897342631987
Energy: 2.0776365481260033
Energy: 2.021256611308785
Energy: 2.015046277872079
Energy: 2.014730499221235
Energy: 2.021602669601332
Energy: 2.0216585812432375
Energy: 2.022334063600719
Energy: 2.0220181729255633
Energy: 2.1933134704997914
Energy: 2.0156847198532954
Energy: 2.021533954512678
Energy: 2.0216499189930857
Energy: 2.0320232663432116
Energy: 2.0261431269114625
Energy: 2.618062247634564
Energy: 2.079957338020458
Energy: 2.0278564478599894
Energy: 2.0284232350034976
Energy: 2.024633191202133
Energy: 2.021539238476368
Energy: 2.1974864508048233
Energy: 2.0185605842282266
Energy: 2.021397097542967
Energy: 2.0221435901474902
Energy: 2.077627401082631
Energy: 2.0214068014254347
Energy: 2.1933114500813558
Energy: 2.0186999000086208
Energy: 2.0215653208018356
Energy: 2.021563244573228
Energy: 2.0233156886237045
Energy: 2.021827775125211
Energy: 2.360951619049144
Energy: 2.0774356607077915
Energy: 2.361311292660322
Energy: 2.0230105464212564
Energy: 2.07746298728981
Energy: 2.0215083250623214
Energy: 2.0215537035364903
Energy: 2.0218360144437026
Energy: 2.3561118248840196
Energy: 2.021746544903308
Energy: 2.0802978616876535
Energy: 2.354921868767981
Energy: 2.361875275983448
Energy: 2.0247978975221206
Energy: 2.3611880084699988
Energy: 2.0772833263591672
Energy: 3.179743126146616
Energy: 2.1928337661619803
Energy: 2.021587065793335
Energy: 2.0776476824673584
Energy: 2.024426102940848
Energy: 2.0147557604189994

minimum gb energy = 2.014730499221235 eV
minimum distance =  2.40261453383161 Angstroms
sigma value = 17


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

Energy: 3.7258958928304535
Energy: 2.1933238162098108
Energy: 2.1950398112070917
Energy: 2.1951672454515623
Energy: 2.1935890635294517
Energy: 2.20366168598478
Energy: 2.1420035818213847
Energy: 2.1429716011508675
Energy: 2.1402030583523746
Energy: 2.1421452533083434
Energy: 2.1404438550843095
Energy: 2.1423646223141417
Energy: 2.141211552423666
Energy: 2.2632002675135743
Energy: 2.139909466021958
Energy: 2.14129989725092
Energy: 2.14040704078206
Energy: 2.2322711453688995
Energy: 2.84136632297261
Energy: 2.256754370700754
Energy: 2.141716165646564
Energy: 2.1403758921525253
Energy: 2.44118036799477
Energy: 2.4095467932893837
Energy: 2.835688419747117
Energy: 2.443347339111831
Energy: 2.442958790733309
Energy: 2.140916217652438
Energy: 2.437695997414806
Energy: 2.139732670451398
Energy: 2.141027110006686
Energy: 2.4413127050988046
Energy: 2.1016116670570644
Energy: 2.5679027317146677
Energy: 2.2578929712837144
Energy: 2.142212204467871
Energy: 2.1418666373690765
Energy: 2.1394714795803162
Energy: 2.4411419137029124
Energy: 2.335705063549935
Energy: 2.2573854442585355
Energy: 2.1416874799255283
Energy: 2.140785049865476
Energy: 2.139013674960903
Energy: 2.139875810534043
Energy: 2.1399303353592845
Energy: 2.1399411087860347
Energy: 2.141371198776462
Energy: 2.1425723553474847
Energy: 2.1432821384972964
Energy: 2.0991769735011787
Energy: 2.5881161727515622
Energy: 2.1433499376929284
Energy: 2.1420235352162993
Energy: 2.386702466168126
Energy: 2.1425144937090304
Energy: 2.1413318950079914
Energy: 2.1421757903818737
Energy: 2.141542973977162
Energy: 2.142109741390633
Energy: 2.3938003928540623
Energy: 2.140868719915161
Energy: 2.105756184226097
Energy: 2.1410579810227155
Energy: 2.14077356322264
Energy: 2.1415948374673643
Energy: 2.3877986051725646
Energy: 2.143118789343127
Energy: 2.1043236504829426
Energy: 2.1055976025308163
Energy: 2.1015621109493074
Energy: 2.1430094437276197
Energy: 2.235553564302163
Energy: 2.1005211259066146
Energy: 2.1026827763239293
Energy: 2.106372086831339
Energy: 2.10054390806761
Energy: 2.1042940280291966
Energy: 3.0973463514676993
Energy: 2.1041800909510306
Energy: 2.1878348778999333
Energy: 2.140727811593555
Energy: 2.104528635791254
Energy: 2.6573849304481634
Energy: 2.6012269889587043
Energy: 2.101285420057861
Energy: 2.101983418904973
Energy: 2.1102093935928083
Energy: 2.1016092369242676
Energy: 2.1007335072597946
Energy: 2.238801333592692
Energy: 2.100219919024575
Energy: 2.097812842757769
Energy: 2.0998244451832044
Energy: 2.0975891300152023
Energy: 2.2004153437020286
Energy: 2.8343494016031796
Energy: 2.1009063618990136
Energy: 2.1045730943376664
Energy: 2.1039214669933313
Energy: 2.106057923682302
Energy: 2.138511821153567
Energy: 2.8335979048901083
Energy: 2.1013884898650543
Energy: 2.1042040155324964
Energy: 2.188030865967086
Energy: 2.103902653730117
Energy: 2.1400563222066498
Energy: 2.2352694976876486
Energy: 2.099715160666564
Energy: 2.0988713708765876
Energy: 2.6170632851324505
Energy: 2.0995805695304735
Energy: 2.142252866376094
Energy: 2.3893113588311587
Energy: 2.1423118378493413
Energy: 2.105261497033227
Energy: 2.1064048877692847
Energy: 2.1037804642056765
Energy: 2.1421499271065425
Energy: 2.3972490125704073
Energy: 2.1387266470194315
Energy: 2.137955193305437
Energy: 2.1411584344030063
Energy: 2.1386799753930017
Energy: 2.139317818933268
Energy: 2.3728463705081535
Energy: 2.1424730073933107
Energy: 2.1021971236058468
Energy: 2.6095443421131357
Energy: 2.1413447914876387
Energy: 2.1426481003735174
Energy: 2.144889170375826
Energy: 2.1408294050511016
Energy: 2.141417509018098
Energy: 2.5933819566360214
Energy: 2.1425674876409366
Energy: 2.1412781185857113
Energy: 2.1378927983798968
Energy: 2.1381574061491504
Energy: 2.25524422421005
Energy: 2.1409116863134616
Energy: 2.1393368629706253
Energy: 2.138262748252674
Energy: 2.142515876591572
Energy: 2.1408560700779087
Energy: 2.441965924063563
Energy: 2.108401173544397
Energy: 2.2552379981194237
Energy: 2.140174556653461
Energy: 2.1423773931450087
Energy: 2.4414659808525454
Energy: 2.444070027616886
Energy: 2.1046958622993435
Energy: 2.2573361121177693
Energy: 2.2324313444120043
Energy: 3.0720102203602333
Energy: 2.2551968758188417
Energy: 2.4414750593478645
Energy: 2.1424339621195583
Energy: 2.441721776999245
Energy: 2.1020223217049296
Energy: 3.073068121267474
Energy: 2.443784835001135
Energy: 2.142187438431452
Energy: 2.1427091256628388
Energy: 2.1410108470324922
Energy: 2.139864542925137
Energy: 2.1406798643691465
Energy: 2.1400572327794847
Energy: 2.1380156835838346
Energy: 2.138965257969838
Energy: 2.138134334735918
Energy: 2.106130895514464
Energy: 2.8320237074225165
Energy: 2.1415006107488344
Energy: 2.1415459559962065
Energy: 2.146551710439617
Energy: 2.1413006644871255
Energy: 2.4302954020458856
Energy: 2.8340358971137944
Energy: 2.142018822313218
Energy: 2.1427709079975505
Energy: 2.3741935132084793
Energy: 2.142739005943978
Energy: 2.2831638251569797
Energy: 2.141117167177248
Energy: 2.1383603772962405
Energy: 2.1390893164263125
Energy: 2.1408433908760314
Energy: 2.1384872135488457
Energy: 2.105644857205833
Energy: 2.8413119924026304
Energy: 2.104113297671593
Energy: 2.142652499347222
Energy: 2.145765745519549
Energy: 2.1421296635992086
Energy: 2.1047584391841405
Energy: 2.861424679297114
Energy: 2.099748198238996
Energy: 2.140737313510638
Energy: 2.2369954094088587
Energy: 2.09994946745945
Energy: 2.0989429148805576
Energy: 2.140250011708613
Energy: 2.1042255740812887
Energy: 2.1023927626767946
Energy: 2.1026332801542535
Energy: 2.1035978835848446
Energy: 2.1045477303527638
Energy: 2.1034819232487667
Energy: 2.1039490513104306
Energy: 2.101592755061585
Energy: 2.1026241277019695
Energy: 2.1033307725626926
Energy: 2.1048925281874045
Energy: 2.0974040006627317
Energy: 2.097739817163519
Energy: 2.100144225017069
Energy: 2.2396106273191787
Energy: 2.0986380759151633
Energy: 2.0973485320513796
Energy: 2.1103858313009947
Energy: 2.1024108393520975
Energy: 2.101066365459507
Energy: 2.1430794442212613
Energy: 2.1020844961330414
Energy: 2.1031686681500505
Energy: 2.140412675239867
Energy: 2.104589573384405
Energy: 2.255022842711367
Energy: 2.583054157615217
Energy: 2.104508143753482
Energy: 2.187753341695683
Energy: 2.6054210661042982
Energy: 2.1002005141935665
Energy: 2.100251652229874
Energy: 2.235078226242706
Energy: 2.100369463280749
Energy: 2.101880264767525
Energy: 2.835193077503731
Energy: 2.1027349731468763
Energy: 2.1429136535534044
Energy: 2.142392154432354
Energy: 2.1427560916287134
Energy: 2.1049539406793887
Energy: 2.1409586526421203
Energy: 2.140721074424095
Energy: 2.140873505155493
Energy: 2.1432629677635906
Energy: 2.1394807638119713
Energy: 2.105560202755918
Energy: 2.595519142523412
Energy: 2.1410698973320863
Energy: 2.14220704775394
Energy: 2.3880818220206903
Energy: 2.142121088243115
Energy: 2.0981332364191423

minimum gb energy = 2.0973485320513796 eV
minimum distance =  2.36824915967721 Angstroms
sigma value = 57


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

Energy: 3.19982674280267
Energy: 2.2571767598121943
Energy: 2.26140777300553
Energy: 2.2584142526122872
Energy: 2.258259999376321
Energy: 2.1366455146891297
Energy: 2.2011202761678237
Energy: 2.1907593298761734
Energy: 2.1912379513839606
Energy: 2.195445526030636
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Energy: 2.189796216311079
Energy: 2.4532819043685525
Energy: 2.28554529718357
Energy: 2.186138493869531
Energy: 2.189353127178861
Energy: 2.186828562344709
Energy: 2.2762733428918858
Energy: 2.755865084066162
Energy: 2.284292822386193
Energy: 2.1893752128727217
Energy: 2.1879548792520196
Energy: 2.2790751122777775
Energy: 2.2763042885470948
Energy: 2.608330260880627
Energy: 2.2798325420880126
Energy: 2.460402678166063
Energy: 2.1337035929843093
Energy: 2.276419245238356
Energy: 2.275482690946787
Energy: 2.2009350540319037
Energy: 2.2767610201698743
Energy: 2.1279460319371912
Energy: 2.3150296376264534
Energy: 2.285073495995036
Energy: 2.2027657756137318
Energy: 2.2037578798836552
Energy: 2.1992824611504322
Energy: 2.4653573787160483
Energy: 2.0955859386091573
Energy: 2.2793992515114243
Energy: 2.199986583334499
Energy: 2.1935380343623794
Energy: 2.193574651349611
Energy: 2.1984955746886072
Energy: 2.188890841139423
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Energy: 2.2675142025976522
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Energy: 2.2021720785793675
Energy: 2.1947473572333207
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Energy: 2.1993523536309882
Energy: 2.1961569227550513
Energy: 2.3929020908918517
Energy: 2.195810563479678
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Energy: 2.098968253438555
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Energy: 2.099172929647226
Energy: 2.1937030789755005
Energy: 2.3586445280948327
Energy: 2.098710912331085
Energy: 2.097310795806477
Energy: 2.209074697645163
Energy: 2.094041622455033
Energy: 2.094258123158098
Energy: 2.3219066652792404
Energy: 2.09334681650884
Energy: 2.0918732179504764
Energy: 2.2042005876807935
Energy: 2.4040272674632637
Energy: 2.0905158560036394
Energy: 2.304845549448392
Energy: 2.0907176128391884
Energy: 2.263229519411169
Energy: 2.753050751822906
Energy: 2.265989963565893
Energy: 2.0975019255278564
Energy: 2.3095911394120647
Energy: 2.094645191945328
Energy: 2.2632001576400267
Energy: 2.2049217846363813
Energy: 2.2656457556456218
Energy: 2.4039492885173126
Energy: 2.254936701935069
Energy: 2.4039927854799514
Energy: 2.2621683692011607
Energy: 2.1939733008048883
Energy: 2.266247436821316
Energy: 2.1301294759786753
Energy: 2.3135062610770936
Energy: 2.4081814680098583
Energy: 2.1946630696265816
Energy: 2.1951912993155314
Energy: 2.1928321531468917
Energy: 2.4040460610816154
Energy: 2.1938597373112407
Energy: 2.4035300970728186
Energy: 2.1923870742551266
Energy: 2.2001390503285516
Energy: 2.197530643073859
Energy: 2.1966555314159533
Energy: 2.3118153891072857
Energy: 2.199119311725661
Energy: 2.197472220117586
Energy: 2.2050311981017847
Energy: 2.2057817407219766
Energy: 2.265145566880413
Energy: 2.724253074189021
Energy: 2.2058336455887564
Energy: 2.2057650727214213
Energy: 2.4522144492992863
Energy: 2.2058554305889286
Energy: 2.205892151526824
Energy: 2.1925862830539624
Energy: 2.204041613474725
Energy: 2.2055046329657015
Energy: 2.3934697232460898
Energy: 2.200695954324229
Energy: 2.19523156230998
Energy: 2.2570983511734872
Energy: 2.1981691491879176
Energy: 2.1989874865805996
Energy: 2.610901716217842
Energy: 2.207255367176289
Energy: 2.1922363891539067
Energy: 2.19617812633543
Energy: 2.1934148041295645
Energy: 2.2059439226122404
Energy: 2.27221198141537
Energy: 2.18905837054223
Energy: 2.1904803234529733
Energy: 2.1926480650101787
Energy: 2.189391005812562
Energy: 2.2088121342924625
Energy: 2.7723986066950617
Energy: 2.192256346552987
Energy: 2.193861969288
Energy: 2.262924858183763
Energy: 2.1927027325213193
Energy: 2.1333335399461397

minimum gb energy = 2.0905158560036394 eV
minimum distance =  2.37464016316165 Angstroms
sigma value = 43


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

Energy: 3.480640218209564
Energy: 2.2922574174976877
Energy: 2.2923069150879973
Energy: 2.292323099137076
Energy: 2.2923648088923128
Energy: 2.7142269868812563
Energy: 2.1248813241776277
Energy: 2.1856360192555075
Energy: 2.1869738782331316
Energy: 2.1938654732151144
Energy: 2.185992837509443
Energy: 2.1838382933946097
Energy: 2.4609516702188747
Energy: 2.4440511607839257
Energy: 2.180066333898693
Energy: 2.1817405135193497
Energy: 2.1797102097173964
Energy: 2.443999750988531
Energy: 2.2367921706635037
Energy: 2.445602428648845
Energy: 2.181751947313035
Energy: 2.1813529236865388
Energy: 2.304222854534122
Energy: 2.1224512284746626
Energy: 2.507141314741836
Energy: 2.443580197230161
Energy: 2.4445234539701435
Energy: 2.2359573160451998
Energy: 2.443408962592826
Energy: 2.125156954383564
Energy: 2.130389366569471
Energy: 2.129051915164629
Energy: 2.1229943655803747
Energy: 2.7685267225341392
Energy: 2.444050504799894
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Energy: 2.1350025729762354
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Energy: 2.443649392555715
Energy: 2.1809263975335926
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Energy: 2.1222851900853894
Energy: 2.443790370010169
Energy: 2.18124679902443
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Energy: 2.122788066871823
Energy: 2.127981115256226
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Energy: 2.4443143265122083
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Energy: 2.4439573845636002
Energy: 2.300954976384818
Energy: 2.180576137734377
Energy: 2.4436704259196667
Energy: 2.126007748841715
Energy: 2.7696540984494344
Energy: 2.4458447110643005
Energy: 2.182956874246911
Energy: 2.1813655289354466
Energy: 2.4433741172020675
Energy: 2.12108484240418
Energy: 2.5052651750885295
Energy: 2.444446134872725
Energy: 2.179954216788409
Energy: 2.182757653056226
Energy: 2.180141172645044
Energy: 2.445403451518699
Energy: 2.1245111539793915
Energy: 2.1846636600606493
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Energy: 2.1909935952631745
Energy: 2.185680252759756
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Energy: 2.1906866410603474
Energy: 2.1902202425092505
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Energy: 2.178207826719304
Energy: 2.1860204013870552
Energy: 2.186923991334279
Energy: 2.187588855588298
Energy: 2.1869001588933066
Energy: 2.184230487579045
Energy: 2.4612640540125192
Energy: 2.1900734189795754
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Energy: 2.189602871829933
Energy: 2.1845638805891223
Energy: 2.1906134219588944
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Energy: 2.1891344355961393
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Energy: 2.1841258416651095
Energy: 2.1244133771005664
Energy: 2.1855087866347835
Energy: 2.1867981032971895
Energy: 2.2920667778364985
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Energy: 2.2754860213070325
Energy: 2.118944992938314
Energy: 2.2922396812062455
Energy: 2.29222644512219
Energy: 2.1924492867573493
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Energy: 2.124925315420083
Energy: 2.186408238676767
Energy: 2.186960243171072
Energy: 2.1797466045154907
Energy: 2.180080486802122
Energy: 2.444359994124482
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Energy: 2.1811287736453635
Energy: 2.179930964460195
Energy: 2.181334004079739
Energy: 2.181963504485577
Energy: 2.1223340036752343
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Energy: 2.1814399578430805
Energy: 2.2358384484682965
Energy: 2.443733339167344
Energy: 2.1242474412847305
Energy: 2.187637244378773
Energy: 2.4433988222174463
Energy: 2.303329334038995
Energy: 2.7678398251721585
Energy: 2.4445605496176817
Energy: 2.129865138833659
Energy: 2.1285150184411092
Energy: 2.4445197196746826
Energy: 2.1207673240147296
Energy: 2.1806319717323137
Energy: 2.4430666537093417
Energy: 2.123722143526608
Energy: 2.123034589137295
Energy: 2.123333917172902
Energy: 2.300481640791207
Energy: 2.180874929041477
Energy: 2.4433364068624983
Energy: 2.122283262798061
Energy: 2.1321324897763687
Energy: 2.122829450051674
Energy: 2.444289770951929
Energy: 2.5010966289974657
Energy: 2.4436906913849423
Energy: 2.130356696824567
Energy: 2.128707606108775
Energy: 2.444731310666773
Energy: 2.1196716460832694
Energy: 2.3137601947873145
Energy: 2.4439666041930064
Energy: 2.125322642881662
Energy: 2.187632626496248
Energy: 2.4438739448779665
Energy: 2.301479838021661
Energy: 2.1814595883099908
Energy: 2.183212531895924
Energy: 2.122237018911131
Energy: 2.1227746715473796
Energy: 2.4429019928719495
Energy: 2.1815876141865918
Energy: 2.1808177140607197
Energy: 2.179988869238825
Energy: 2.443848021130407
Energy: 2.187378772500201
Energy: 2.306330508685899
Energy: 2.1803805469432884
Energy: 2.1895550340774195
Energy: 2.1855788116825567
Energy: 2.1834705541430846
Energy: 2.1246125087160226
Energy: 2.1830033334808143
Energy: 2.186202817399947
Energy: 2.190033325036725
Energy: 2.1903461675396105
Energy: 2.302055591732351
Energy: 2.4438414087561244
Energy: 2.190546681415866
Energy: 2.191502304977299
Energy: 2.5066969092639106
Energy: 2.186566713281301
Energy: 2.1846099644505497
Energy: 2.178277516221017
Energy: 2.1860446882342015
Energy: 2.1875724794941696
Energy: 2.2364127755277803
Energy: 2.184222624475059
Energy: 2.190533289940594
Energy: 2.188811156872874
Energy: 2.1846960584311894
Energy: 2.1847857685698133
Energy: 2.461351523461577
Energy: 2.19031117363161
Energy: 2.1858168764827113
Energy: 2.1921163578844713
Energy: 2.1854760515613947
Energy: 2.1895741516120366
Energy: 2.1239395597354913
Energy: 2.1843636588282322
Energy: 2.186545846146738
Energy: 2.1918460263080357
Energy: 2.1862536738424914
Energy: 2.1837265502672176

minimum gb energy = 2.118944992938314 eV
minimum distance =  2.35707075463033 Angstroms
sigma value = 81


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

Energy: 2.0165870619706507
Energy: 2.2138547189846762
Energy: 2.2139424716413867
Energy: 2.2134785113310076
Energy: 2.5702831181180095
Energy: 2.0172802323880847
Energy: 2.2132058122725176
Energy: 2.2135005615071206
Energy: 2.0178695114488914
Energy: 2.0167939053101906
Energy: 2.017897534894598
Energy: 2.213917042652472
Energy: 2.2137221451403533
Energy: 2.2133061903298423
Energy: 2.0170317594674443
Energy: 2.01697083019602
Energy: 2.0174347211984878
Energy: 2.2139184886857706
Energy: 2.2132626668599724
Energy: 2.2137525232864794
Energy: 2.01806192772621
Energy: 2.017980622434018
Energy: 2.2134357849972797
Energy: 2.213422164316137
Energy: 2.2133757810403485
Energy: 2.213743373007746
Energy: 2.213600026251492
Energy: 2.0180952434970907
Energy: 2.2135270964498392
Energy: 2.2138235137046487
Energy: 2.0184402767535015
Energy: 2.018687126613192
Energy: 2.0177165042666876
Energy: 2.0177734748631866
Energy: 2.213852611337034
Energy: 2.0175262625560606
Energy: 2.016645910111168
Energy: 2.0176739629531117
Energy: 2.213665026799053
Energy: 2.2131338042486988
Energy: 2.213169898858028
Energy: 2.0168595198863706
Energy: 2.016986869670794
Energy: 2.01758316366598
Energy: 2.213664279946302
Energy: 2.213212819895107
Energy: 2.2135051259209675
Energy: 2.0169450435903014
Energy: 2.018102879605211
Energy: 2.0178849717961587
Energy: 2.213854558257831
Energy: 2.2132922107567397
Energy: 2.213696922380099
Energy: 2.018484376396713
Energy: 2.0178240353893595
Energy: 2.2131953022845585
Energy: 2.2138639204614483
Energy: 2.2132700582956595
Energy: 2.215787311967189
Energy: 2.213610165141259

minimum gb energy = 2.0165870619706507 eV
minimum distance =  2.44191348466917 Angstroms
sigma value = 3


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

Energy: 3.3128361099873707
Energy: 2.1605896875849937
Energy: 2.1604005437479357
Energy: 2.1602024510399875
Energy: 2.16067306758255
Energy: 2.193896631716809
Energy: 2.159848636345851
Energy: 2.383971686172065
Energy: 2.384577008181196
Energy: 2.3950338884352593
Energy: 2.380708259487912
Energy: 2.379129402307616
Energy: 2.3883548271072073
Energy: 2.3785872654605877
Energy: 2.377886036375339
Energy: 2.3913427302007606
Energy: 2.378334726270834
Energy: 2.161880463605855
Energy: 2.3807172576480067
Energy: 2.378755328387791
Energy: 2.1617169217362058
Energy: 2.1610799298091097
Energy: 2.342873338476845
Energy: 2.3785158105368405
Energy: 2.385176873467028
Energy: 2.3835272799981126
Energy: 2.1600175307205745
Energy: 2.3294645417090845
Energy: 2.38467390729781
Energy: 2.385559580423773
Energy: 2.3316521469031364
Energy: 2.5046099413769056
Energy: 2.154780325821079
Energy: 2.567453056475234
Energy: 2.519567190475532
Energy: 2.504791890698546
Energy: 2.574755366458993
Energy: 2.3822542816430796
Energy: 2.5111342085588064
Energy: 2.1595904231621503
Energy: 2.381857245149566
Energy: 2.3827353745525044
Energy: 2.569264079391398
Energy: 2.380352065571774
Energy: 2.1616976185051486
Energy: 2.161080049606323
Energy: 2.1612547448902166
Energy: 2.3796207112514223
Energy: 2.1573629375114716
Energy: 2.162636611244506
Energy: 2.157057528314701
Energy: 2.162710001845062
Energy: 2.1575898168710856
Energy: 2.1569231089685394
Energy: 2.3313862193861876
Energy: 2.3536950163532193
Energy: 2.159150411376109
Energy: 2.1581264282554717
Energy: 2.159301068118524
Energy: 2.1583084702944366
Energy: 2.373278129301398
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Energy: 2.1611615584993986
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Energy: 2.1600508300102215
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Energy: 2.3885253461346747
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Energy: 2.3805495765370086
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Energy: 2.1605385451632273
Energy: 2.160009756608405
Energy: 2.3773080652431915
Energy: 2.3789883808785013
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Energy: 2.379238699636153
Energy: 2.159818037387743
Energy: 2.412976259630302
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Energy: 2.1573002983104024
Energy: 2.3876531014164106
Energy: 2.1189332601364383
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Energy: 2.3876312294389495
Energy: 2.3841161660268217
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Energy: 2.3435671179945947
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Energy: 2.3786270716271427
Energy: 2.377620418712545
Energy: 2.1602619976580835
Energy: 2.3866278522124773
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Energy: 2.3805970211477137
Energy: 2.386932658082888
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Energy: 2.3804798896018253
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Energy: 2.15359980197346
Energy: 2.5668571560294278
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Energy: 2.3849800752156702
Energy: 2.3102813133398645
Energy: 2.32954229383782
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Energy: 2.3771404051702203
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Energy: 2.1603419933760275
Energy: 2.3106053506027475
Energy: 2.5557123845999787
Energy: 2.3885177942493296
Energy: 2.512047100961374
Energy: 2.1600098208006444
Energy: 2.1626753755115566
Energy: 2.1607274058287724
Energy: 2.387606256246455
Energy: 2.3324869566110777
Energy: 2.160927248244334
Energy: 2.1577441067460525
Energy: 2.1572446624628325
Energy: 2.1591855018651933
Energy: 2.3045881725708885
Energy: 2.3733997313043176
Energy: 2.1582259398300536
Energy: 2.1611777723040326
Energy: 2.1615845697099223
Energy: 2.1609409511252378
Energy: 2.372808484257957
Energy: 2.3313569211576524
Energy: 2.1592230518669315
Energy: 2.158831880852156
Energy: 2.193638542220105
Energy: 2.1582045468028586
Energy: 2.1584921537557453
Energy: 2.160264269728179
Energy: 2.1605374040347356
Energy: 2.1918747359318504
Energy: 2.1961951335263064
Energy: 2.3513557831963388
Energy: 2.1607451629821792
Energy: 2.157198059347135
Energy: 2.1581043624403526
Energy: 2.3514615613621705
Energy: 2.3319460029664953
Energy: 2.161070153236314
Energy: 2.1571840625297782
Energy: 2.1604071967004557
Energy: 2.1608375830772695
Energy: 2.3862010727794662
Energy: 2.3884606277858436
Energy: 2.161967606284109
Energy: 2.160034798656838
Energy: 2.1608615505368274
Energy: 2.160790133162044
Energy: 2.377300125018936
Energy: 2.3794484753008516
Energy: 2.377731931936369
Energy: 2.1597285671640956
Energy: 2.1178705626712486
Energy: 2.3102874588239977
Energy: 2.385498450106634
Energy: 2.3879805831793344
Energy: 2.3865298655664744
Energy: 2.1197866702007615

minimum gb energy = 2.1178705626712486 eV
minimum distance =  2.3731946759302 Angstroms
sigma value = 67


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

Energy: 2.9226135529914963
Energy: 2.7089297562518477
Energy: 2.3137359740507275
Energy: 2.313843717095799
Energy: 2.3135008963104298
Energy: 2.424291426257715
Energy: 2.2074540356429817
Energy: 2.1464734396137786
Energy: 2.4608775100283946
Energy: 2.4674371523658247
Energy: 2.4596269202266035
Energy: 2.141523018664309
Energy: 2.463115291777401
Energy: 2.3123444948987895
Energy: 2.4534511251770894
Energy: 2.461548273253261
Energy: 2.4648063851577167
Energy: 2.205992023993782
Energy: 2.4603492289115043
Energy: 2.458013988548191
Energy: 2.4649488325672246
Energy: 2.4635953869401748
Energy: 2.3375985317882106
Energy: 2.4612653801876645
Energy: 2.4639504247405597
Energy: 2.4601101909514718
Energy: 2.316734447668652
Energy: 2.1597169924760817
Energy: 2.311125646183427
Energy: 2.4612669032712606
Energy: 2.44556713798315
Energy: 2.5241048298944455
Energy: 2.2896448989016136
Energy: 2.295057927794407
Energy: 2.656722286331085
Energy: 2.5245757798250716
Energy: 2.7252176130211194
Energy: 2.4594070746095187
Energy: 2.6481560116438896
Energy: 2.1597663358170176
Energy: 2.5312218114613474
Energy: 2.460048133668751
Energy: 2.7282551811156837
Energy: 2.4558614805169485
Energy: 2.2695778471824055
Energy: 2.2783996957256747
Energy: 2.268628549275781
Energy: 2.544761600266532
Energy: 2.669192574347185
Energy: 2.268822289267301
Energy: 2.2626286656838905
Energy: 2.2706736342450293
Energy: 2.2633454285907932
Energy: 2.438273537833427
Energy: 2.4074855196699065
Energy: 2.2676778452668676
Energy: 2.2651028617113385
Energy: 2.263319261129359
Energy: 2.262395508213385
Energy: 2.1400416742483066
Energy: 2.4068330666955613
Energy: 2.140664945638839
Energy: 2.263420934060109
Energy: 2.1449212399683577
Energy: 2.1401062483786784
Energy: 2.1402242586974056
Energy: 2.3105512772055707
Energy: 2.1429441258726993
Energy: 2.1402313482702118
Energy: 2.1394222417824436
Energy: 2.1430141541099395
Energy: 2.4464791398835994
Energy: 2.1990193259068174
Energy: 2.142819837686636
Energy: 2.139151731890465
Energy: 2.1412001494475104
Energy: 2.2658820705852807
Energy: 2.2107632629793508
Energy: 2.3361613712241533
Energy: 2.139993515463951
Energy: 2.409547642582757
Energy: 2.142375915083952
Energy: 2.1431862871184797
Energy: 2.1396034703729527
Energy: 2.2001511067930766
Energy: 2.1412885269968895
Energy: 2.523427718276727
Energy: 2.539398602504454
Energy: 2.3867555862282077
Energy: 2.1399566362013087
Energy: 2.200189967088003
Energy: 2.383620103991482
Energy: 2.5162278580856174
Energy: 2.5269387896438387
Energy: 2.5168411589561774
Energy: 2.2001326919524065
Energy: 2.5308579561183553
Energy: 2.2048129552951923
Energy: 2.533543858231214
Energy: 2.5409466271338164
Energy: 2.5361505406564975
Energy: 2.289550773582823
Energy: 2.5289684055470554
Energy: 2.1996218601374364
Energy: 2.5292484602234144
Energy: 2.5062105514555673
Energy: 2.526792750833936
Energy: 2.1995700680446824
Energy: 2.1996123492950876
Energy: 2.2025025432643575
Energy: 2.542234728469603
Energy: 2.545324311521704
Energy: 2.512921727135558
Energy: 2.2022067741763633
Energy: 2.2014989542251673
Energy: 2.2003354279642413
Energy: 2.200376166174712
Energy: 2.5062989709984524
Energy: 2.2013960295492474
Energy: 2.2005685151952856
Energy: 2.209987336156568
Energy: 2.2042568932713817
Energy: 2.5165362825790862
Energy: 2.5402627576903942
Energy: 2.2071429717143167
Energy: 2.2075270685816806
Energy: 2.206877415759912
Energy: 2.207398546033309
Energy: 2.4518325817931013
Energy: 2.4556383235687504
Energy: 2.464588074928855
Energy: 2.208546921204468
Energy: 2.171920296727864
Energy: 2.2945768093893517
Energy: 2.4597782263659496
Energy: 2.540975655875039
Energy: 2.4588875123018465
Energy: 2.2642742909535034

minimum gb energy = 2.139151731890465 eV
minimum distance =  2.38550032753501 Angstroms
sigma value = 33


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

Energy: 3.443342516877416
Energy: 2.4317361399103152
Energy: 2.6717843567088333
Energy: 2.5621094863722624
Energy: 2.67070063001907
Energy: 2.3840091254997953
Energy: 2.13553280187282
Energy: 2.4234444379035947
Energy: 2.5740637752304627
Energy: 2.575471891343591
Energy: 2.574646056225716
Energy: 2.4233019417578463
Energy: 2.2640892487693036
Energy: 2.2624278058080205
Energy: 2.5731663936719986
Energy: 2.3863204868300945
Energy: 2.386815351102466
Energy: 2.2644587720009337
Energy: 2.267799343088841
Energy: 2.2660919046429266
Energy: 2.3898594988798463
Energy: 2.578061669542525
Energy: 2.1331137891904945
Energy: 2.263387214753029
Energy: 2.269316725464838
Energy: 2.264097523846138
Energy: 2.1354425685411
Energy: 2.2636978778079433
Energy: 2.134708877278223
Energy: 2.26297895326744
Energy: 2.263827081275394
Energy: 2.265428147783002
Energy: 2.260528946581691
Energy: 2.565376830223766
Energy: 2.2622581400873427
Energy: 2.2657292752224754
Energy: 2.39644710298165
Energy: 2.263359418799867
Energy: 2.5317452344968236
Energy: 2.2636653202099426
Energy: 2.2631637683762578
Energy: 2.391047741398167
Energy: 2.3944088899708134
Energy: 2.2654218608432637
Energy: 2.265697494068825
Energy: 2.2643090000074237
Energy: 2.266195216841249
Energy: 2.389000156468807
Energy: 2.2636255057977377
Energy: 2.2636514345790286
Energy: 2.2617521726526926
Energy: 2.2625015754145292
Energy: 2.262970123826372
Energy: 2.38890533072757
Energy: 2.573127668521959
Energy: 2.4241805729384773
Energy: 2.261991801884759
Energy: 2.2734245653635092
Energy: 2.2655223280872145
Energy: 2.5737699386299946
Energy: 2.573638164450082
Energy: 2.571718681135302
Energy: 2.2624898499335155
Energy: 2.1371047838520774
Energy: 2.4002083623716315
Energy: 2.5762267779129377
Energy: 2.576819666642117
Energy: 2.576586348841111
Energy: 2.1323313383428846
Energy: 2.3485807981854268
Energy: 2.131643896794028
Energy: 2.5767944565853576
Energy: 2.7172463736716983
Energy: 2.5760046744509935
Energy: 2.133357454020861
Energy: 2.2603339801500866
Energy: 2.1363579850824634
Energy: 2.642296179941837
Energy: 2.751982964713571
Energy: 2.5718803867524613
Energy: 2.136446651098378
Energy: 2.1376897006016184
Energy: 2.2641782598333995
Energy: 2.7521797503464835
Energy: 2.748274528166263
Energy: 2.1328942210201554
Energy: 2.132155571811046
Energy: 2.139367931087296
Energy: 2.1327723209706195
Energy: 2.574480746799304
Energy: 2.6421871550582656
Energy: 2.1348846702846584
Energy: 2.1315842418533117
Energy: 2.135099685844425
Energy: 2.132874403700326
Energy: 2.4428071019737017
Energy: 2.5673304330046824
Energy: 2.423260779182589
Energy: 2.1358158608246685
Energy: 2.136075380889488
Energy: 2.1363159790126893
Energy: 2.575787915279178
Energy: 2.6418473318352707
Energy: 2.573979282515833
Energy: 2.5730244974192233
Energy: 2.137978507949525
Energy: 2.1355940082706812
Energy: 2.5739519138143945
Energy: 2.6414245527626057
Energy: 2.6426502595547143
Energy: 2.1301992166238275
Energy: 2.3880868333775798
Energy: 2.5885960244209842
Energy: 2.6421409195567076
Energy: 2.5762261703319576
Energy: 2.574687451456025
Energy: 2.131683477528665
Energy: 2.1296217563119946
Energy: 2.132368795763873
Energy: 2.574464264925929
Energy: 2.3883723201917344
Energy: 2.570992202799551
Energy: 2.2639960524884484
Energy: 2.264511364260863
Energy: 2.264354102481321
Energy: 2.5711270769756904
Energy: 2.5827946909572463
Energy: 2.1314452257837497
Energy: 2.26152672070026
Energy: 2.269075950584521
Energy: 2.2600329535318666
Energy: 2.3884859438659753
Energy: 2.1350773710718536
Energy: 2.1365834355708464
Energy: 2.264215448799381
Energy: 2.2676939482153866
Energy: 2.264814077421139
Energy: 2.532293663929229
Energy: 3.0924651338099785
Energy: 2.2632182543898915
Energy: 2.2668916245578044
Energy: 2.2653537846596254
Energy: 2.266067177950242
Energy: 2.5620695334825445
Energy: 2.264020327163221
Energy: 2.2643376727784728
Energy: 2.263599357379797
Energy: 2.3950248654232547
Energy: 2.265036481881376
Energy: 2.456011119224212
Energy: 2.26418677097405
Energy: 2.265461785098348
Energy: 2.389332405933937
Energy: 2.747100279778305
Energy: 2.1310489127796743
Energy: 2.2648886934770323
Energy: 2.2623397361198
Energy: 2.2629079045062577
Energy: 2.1335134528543382
Energy: 2.263810039247197
Energy: 2.26342469001102
Energy: 2.26113227183958
Energy: 2.275105270016519
Energy: 2.265909272475542
Energy: 2.387823392037048
Energy: 2.576330484953021
Energy: 2.1310093969808754
Energy: 2.2622394983640004
Energy: 2.2654036488015
Energy: 2.264783536395196
Energy: 2.5705895616928345
Energy: 2.5692731560700044
Energy: 2.5680512075496695
Energy: 2.2648175538571906
Energy: 2.2600664615722827
Energy: 2.131563258699976
Energy: 2.575916854213541
Energy: 2.580736713486005
Energy: 2.5751931426547157
Energy: 2.25953139774751
Energy: 2.2596240563732537
Energy: 2.132804325454531
Energy: 2.7186518257221497
Energy: 2.5392894721132375
Energy: 2.5761862746215103
Energy: 2.2567128673454695
Energy: 2.137765126097286
Energy: 2.1362767386928443
Energy: 2.575517774789863
Energy: 2.7580481867449396
Energy: 2.5725492465062594
Energy: 2.1374534609375404
Energy: 2.139338482145573
Energy: 2.136011854505654
Energy: 2.3871652015760065
Energy: 2.7475944877875538
Energy: 2.1330326490224474
Energy: 2.1365960886585658
Energy: 2.1305210745712926
Energy: 2.1320338514560264
Energy: 2.1313520824727306
Energy: 2.647150102280571
Energy: 2.1355557880984093
Energy: 2.1309451401234756
Energy: 2.135552400308071
Energy: 2.1367263124643574
Energy: 2.5747140688832957
Energy: 2.5746695978624397
Energy: 2.136025777520285
Energy: 2.136644910439991
Energy: 2.1388174295222573
Energy: 2.5705414977686702
Energy: 2.574638360909679
Energy: 2.6419493288884217
Energy: 2.574729507826978
Energy: 2.138042166219557
Energy: 2.3909653577228536
Energy: 2.1324689304313162
Energy: 2.641896789585909
Energy: 2.71886329002966
Energy: 2.5777716536774506
Energy: 2.384302644702082

minimum gb energy = 2.1296217563119946 eV
minimum distance =  2.31791420058484 Angstroms
sigma value = 41


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

Energy: 2.7329564583495154
Energy: 2.850280872792532
Energy: 2.3409249235364844
Energy: 2.340969908534234
Energy: 2.340376015102096
Energy: 2.733175888038567
Energy: 2.3337022523240605
Energy: 2.0584747930531324
Energy: 2.059021477326091
Energy: 2.331095135354044
Energy: 2.0582844037309798
Energy: 2.05941916968145
Energy: 2.333202242964404
Energy: 2.0583496297725454
Energy: 2.059110706399731
Energy: 1.9588381179224919
Energy: 2.058266043279639
Energy: 2.0592668895352246
Energy: 2.360073673913598
Energy: 2.3580749824844656
Energy: 2.0600831551488636
Energy: 2.337314329321099
Energy: 2.059805315852049
Energy: 2.3597321872682113
Energy: 2.3308702106819643
Energy: 2.3341218529083667
Energy: 2.058218467832969
Energy: 2.3337041920457535
Energy: 2.0587371246849564
Energy: 2.3365347313082196
Energy: 2.3477313999794203
Energy: 2.3427375018166745
Energy: 2.347056150220151
Energy: 2.3453709666544738
Energy: 2.3657172498141765
Energy: 2.3422514494862385
Energy: 2.684386491121688
Energy: 2.331241461498504
Energy: 2.34035103972956
Energy: 2.3348861300755
Energy: 2.062759354432527
Energy: 2.68675920733114
Energy: 2.6842577337447278
Energy: 2.063500686805706
Energy: 2.336764077361034
Energy: 2.353829544052567
Energy: 2.3371763837972246
Energy: 2.6856906329530705
Energy: 2.334707946189262
Energy: 2.0633552461709543
Energy: 2.0631092917623413
Energy: 1.958786243151782
Energy: 2.0654994965666647
Energy: 2.0589859735137797
Energy: 2.3456554887624055
Energy: 2.062914975297321
Energy: 2.0632021701563996
Energy: 2.347958502351136
Energy: 2.065002019800011
Energy: 2.3452378923729205
Energy: 2.3445388084592
Energy: 2.3483123216694257
Energy: 2.0633163326947397
Energy: 2.3464459402279414
Energy: 2.0629577156827734
Energy: 2.3446053453063764
Energy: 2.3349197177442838
Energy: 2.336950304892232
Energy: 2.0625936881521567
Energy: 2.3491648849683857
Energy: 2.0652053183522696
Energy: 2.3373528477342567
Energy: 2.3332560309386143
Energy: 2.3346463069935974
Energy: 2.0627107962097955
Energy: 2.339882638259595
Energy: 2.064730471526534
Energy: 2.344065910948199
Energy: 2.7550028524507666
Energy: 2.3331055274637564
Energy: 2.342232508705174
Energy: 2.344318707958114
Energy: 2.3422067402221374
Energy: 2.689507129686623

minimum gb energy = 1.958786243151782 eV
minimum distance =  2.39130198942205 Angstroms
sigma value = 11


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

Energy: 3.0793651875392327
Energy: 2.6609765329039106
Energy: 2.6613998448784097
Energy: 2.659585434211096
Energy: 2.6605517556823552
Energy: 3.045129007816184
Energy: 2.207355981004738
Energy: 2.430372359830835
Energy: 2.4872017322225486
Energy: 2.6568822216404153
Energy: 2.4812033566269696
Energy: 2.5349230286486253
Energy: 2.2079564323872103
Energy: 2.2091409050850355
Energy: 2.4707509420029647
Energy: 2.471209236798608
Energy: 2.433725590194236
Energy: 2.2081213517132707
Energy: 2.203739920819511
Energy: 2.209187627028751
Energy: 2.2090571497814024
Energy: 2.5970455742420997
Energy: 2.20921664068271
Energy: 2.207787963723762
Energy: 2.2122619553565044
Energy: 2.2082483541443207
Energy: 2.433496049201603
Energy: 2.6573001286444784
Energy: 2.205895721735538
Energy: 2.208175757208776
Energy: 2.2062360868489277
Energy: 2.2088366039573635
Energy: 2.6583817557489575
Energy: 2.6578388780435787
Energy: 2.657811397870582
Energy: 2.207543130692336
Energy: 2.543249413218074
Energy: 2.43498434762617
Energy: 2.610185887108812
Energy: 2.6590276974762515
Energy: 2.4803816809399897
Energy: 2.477808563616491
Energy: 2.5425870159740205
Energy: 2.435219077633066
Energy: 2.658981142491976
Energy: 2.6594629985356466
Energy: 2.5477243091046033
Energy: 2.5939493918669654
Energy: 2.3616530210942823
Energy: 2.347096764340396
Energy: 2.658551083713092
Energy: 2.740724357073549
Energy: 2.4322267122373282
Energy: 2.347336783602279
Energy: 2.339624803215178
Energy: 2.3404859992492684
Energy: 2.4309411307713136
Energy: 2.823996309490002
Energy: 2.4312995753710593
Energy: 2.3401969988370217
Energy: 2.3418462498659096
Energy: 2.3455850338675193
Energy: 2.3143321716580747
Energy: 2.339387639019956
Energy: 2.4347803654061266
Energy: 2.342233100920535
Energy: 2.3413554955208102
Energy: 2.4345458113718528
Energy: 2.3432530837560535
Energy: 2.342214243554327
Energy: 2.4340250478414727
Energy: 2.342488897519344
Energy: 2.4227066206946355
Energy: 2.342432465326436
Energy: 2.3427095911853266
Energy: 2.341383036724268
Energy: 2.344394863904744
Energy: 2.312915406348527
Energy: 2.6497931359507696
Energy: 2.43213373890551
Energy: 2.340291801242409
Energy: 2.339212354800741
Energy: 2.3407666503555395
Energy: 2.472065543504393
Energy: 2.6585459601955135
Energy: 2.481808174224524
Energy: 2.33986605709283
Energy: 2.3623308977643522
Energy: 2.4302861732150918
Energy: 2.6567813356338728
Energy: 2.6592019505585984
Energy: 2.661286000500207
Energy: 2.4731758784039934
Energy: 2.616876336414023
Energy: 2.66011107805847
Energy: 2.6611894364900963
Energy: 2.6567777421496275
Energy: 2.48048374364513
Energy: 2.4334474085976265
Energy: 2.345101133699451
Energy: 2.434479073273861
Energy: 2.6562793926106965
Energy: 2.531134328089052
Energy: 2.468159189720433
Energy: 2.208425455409293
Energy: 2.205829648212313
Energy: 2.208059409433925
Energy: 2.556165234651488
Energy: 2.658588886104961
Energy: 2.2087635443097606
Energy: 2.2077610531033707
Energy: 2.2075689507188083
Energy: 2.208953123818937
Energy: 2.4805675418900814
Energy: 2.6574955802970996
Energy: 2.210332598895613
Energy: 2.2071538907359405
Energy: 2.2114316708446853
Energy: 2.2074277986230553
Energy: 2.4803731448428943
Energy: 2.657645833239816
Energy: 2.6583892831082476
Energy: 2.2060424221085806
Energy: 2.2074084886962417
Energy: 2.4400579222512695
Energy: 2.6574020067616826
Energy: 2.65780863024504
Energy: 2.487353003163767
Energy: 2.434550862837747
Energy: 2.543110170474
Energy: 2.4332019603157042
Energy: 2.6573042423877697
Energy: 2.6591547266185938
Energy: 2.670742032442163
Energy: 2.5958372543289783
Energy: 2.5941275857562758
Energy: 2.4337024729277883
Energy: 2.670363767076619
Energy: 2.823702086133144
Energy: 2.431527904134333
Energy: 2.3473372437132856
Energy: 2.364004002588126
Energy: 2.4306551612652387
Energy: 2.741228918502055
Energy: 2.8241923360289443
Energy: 2.432768487264931
Energy: 2.3402257159860227
Energy: 2.3395617490997935
Energy: 2.3407158037827314
Energy: 2.202353555873501
Energy: 2.339904792438232
Energy: 2.434643785550042
Energy: 2.342753442314702
Energy: 2.341746569423775
Energy: 2.435699317142353
Energy: 2.4359017214107452
Energy: 2.342220840563413
Energy: 2.435913930680928
Energy: 2.4370420305261438
Energy: 2.3418561925338506
Energy: 2.4362502561346613
Energy: 2.3421852751121737
Energy: 2.34197361369811
Energy: 2.3450336445244875
Energy: 2.3138995638340325
Energy: 2.33974224950375
Energy: 2.342220154726257
Energy: 2.3423861765453937
Energy: 2.3391291623698325
Energy: 2.3404280873150127
Energy: 2.471576169773464
Energy: 2.64980093410368
Energy: 2.4312442080905594
Energy: 2.3397563775665553
Energy: 2.363179302022738
Energy: 2.3408398070459957
Energy: 2.480272524609579
Energy: 2.658018883514745
Energy: 2.431258988244126
Energy: 2.3462466737298
Energy: 2.6166990992033403
Energy: 2.3436933576918655
Energy: 2.6607315356689374
Energy: 2.660151573421648
Energy: 2.66074007095013
Energy: 2.471958437358248

minimum gb energy = 2.202353555873501 eV
minimum distance =  2.36429846397488 Angstroms
sigma value = 57


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

Energy: 3.1804974108901987
Energy: 2.484446108187939
Energy: 2.4839228007985454
Energy: 2.4849886783755926
Energy: 2.4845067993362155
Energy: 3.0903054187903236
Energy: 2.2295075815022933
Energy: 2.3442134871701956
Energy: 2.3435173630821557
Energy: 2.483735245640234
Energy: 2.349874861589447
Energy: 2.3437781479949678
Energy: 2.2297038277427155
Energy: 2.2294937983759993
Energy: 2.333013854492315
Energy: 2.2367514268001774
Energy: 2.331978401036652
Energy: 2.2305573749596213
Energy: 2.2306742424582575
Energy: 2.2315739661205294
Energy: 2.3440845385347706
Energy: 2.234181734454174
Energy: 2.2311637597435747
Energy: 2.231908770174082
Energy: 2.2368334089618607
Energy: 2.230032802759058
Energy: 2.3512744198555176
Energy: 2.4859445156571764
Energy: 2.344810881665502
Energy: 2.2300236791844075
Energy: 2.2339361045982247
Energy: 2.334958344368191
Energy: 2.2294778200275016
Energy: 2.486629981226033
Energy: 2.335748394516726
Energy: 2.2298091797860056
Energy: 2.481107258312504
Energy: 2.3489848024072977
Energy: 2.483492218076263
Energy: 2.4842957237701015
Energy: 2.2289029095354578
Energy: 2.348867266679264
Energy: 2.4810945382644127
Energy: 2.333319690011952
Energy: 2.484552183258588
Energy: 2.4852489208964093
Energy: 2.4896974365892355
Energy: 2.348477117863397
Energy: 2.4874256113867017
Energy: 2.2314697019766507
Energy: 2.6488565243150735
Energy: 2.729668374921862
Energy: 2.3342563132992358
Energy: 2.483590068968433
Energy: 2.4827989418651724
Energy: 2.229014539690548
Energy: 2.6479494917499196
Energy: 2.7297513953864425
Energy: 2.3357031775595636
Energy: 2.4831281820734814
Energy: 2.2129240724802424
Energy: 2.333452136068916
Energy: 2.2297650307232884
Energy: 2.2293708987803096
Energy: 2.33294811738095
Energy: 2.347855369045958
Energy: 2.2126440608398386
Energy: 2.3502866600139076
Energy: 2.230988115974094
Energy: 2.2303412904859115
Energy: 2.2293945074430535
Energy: 2.3484462776066337
Energy: 2.2310403739845466
Energy: 2.2290121535550003
Energy: 2.234469320140254
Energy: 2.2326522496751817
Energy: 2.2298319897919265
Energy: 2.229292428311301
Energy: 2.4861404450230618
Energy: 2.331852540199127
Energy: 2.2294871715310465
Energy: 2.228707562076366
Energy: 2.229828506981519
Energy: 2.4830498558577974
Energy: 2.4855360507060626
Energy: 2.343733978110158
Energy: 2.3471991130405208
Energy: 2.2327193110775387
Energy: 2.349496483870924
Energy: 2.485998780908267
Energy: 2.482903556988604
Energy: 2.483946668172139
Energy: 2.3324681754318215
Energy: 2.482606102158928
Energy: 2.484631275893177
Energy: 2.484404171073207
Energy: 2.4719276501145058
Energy: 2.34449092721806
Energy: 2.343688944816027
Energy: 2.483838923013145
Energy: 2.3502443470425245
Energy: 2.4833592586911886

minimum gb energy = 2.2126440608398386 eV
minimum distance =  2.42610428808711 Angstroms
sigma value = 9


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

Energy: 3.428280561634558
Energy: 2.4989830409832092
Energy: 2.499089841121649
Energy: 2.50087072694339
Energy: 2.4989380789393256
Energy: 2.378318238788582
Energy: 2.261447178301738
Energy: 2.5240352830326267
Energy: 2.2454195186943515
Energy: 2.247286189209231
Energy: 2.5189752708828954
Energy: 2.2454022870440777
Energy: 2.2422112793817828
Energy: 2.2425343310541175
Energy: 2.5026207885753964
Energy: 2.343785160502469
Energy: 2.5226488241955445
Energy: 2.242083898145685
Energy: 2.2462952176620394
Energy: 2.242377588207037
Energy: 2.2776699020966746
Energy: 2.246313353579897
Energy: 2.243249395969186
Energy: 2.2416824171589136
Energy: 2.2642594884672134
Energy: 2.2619183567775343
Energy: 2.2617098848927046
Energy: 2.265590906238831
Energy: 2.2802905060964536
Energy: 2.262668916920434
Energy: 2.2430420296611535
Energy: 2.272431500462756
Energy: 2.2614637450609223
Energy: 2.2640020622430215
Energy: 2.2621143244318738
Energy: 2.2420352787451714
Energy: 2.4790692399698906
Energy: 2.2429991590229013
Energy: 2.242158350055683
Energy: 2.247819029100604
Energy: 2.2417862035688585
Energy: 2.52379489264343
Energy: 2.479244423502663
Energy: 2.4975537632730602
Energy: 2.262307867905253
Energy: 2.2672339343653682
Energy: 2.242660115316364
Energy: 2.2454573726770164
Energy: 2.499230312901957
Energy: 2.4772942329020307
Energy: 2.498181410958427
Energy: 2.4770045183924094
Energy: 2.5232000303819944
Energy: 2.4770805130520617
Energy: 2.479599405977631
Energy: 2.477346098931359
Energy: 2.4980255275475405
Energy: 2.4764284970044446
Energy: 2.522340684111753
Energy: 2.4796437029142417
Energy: 2.5894496154864384
Energy: 2.5206238509122123
Energy: 2.4796735193706536
Energy: 2.486158526192239
Energy: 2.2633544600425175
Energy: 2.34397599263341
Energy: 2.591010888870688
Energy: 2.500095197657447
Energy: 2.245395513143644
Energy: 2.479813394420985
Energy: 2.245636478564283
Energy: 2.1359106319960395
Energy: 2.263391382769404
Energy: 2.2638398219238574
Energy: 2.499064964961181
Energy: 2.3427826545336323
Energy: 2.520735455769824
Energy: 2.2644032452011613
Energy: 2.242016396288107
Energy: 2.2419231447449057
Energy: 2.4978253335314924
Energy: 2.343042275722041
Energy: 2.2429013905423916
Energy: 2.2417797732392586
Energy: 2.2621087458419273
Energy: 2.2624790360520857
Energy: 2.2420440289354375
Energy: 2.2447798399669874
Energy: 2.2747273267908628
Energy: 2.2620075276087306
Energy: 2.27680549800781
Energy: 2.2778876517138738
Energy: 2.3253590025055075
Energy: 2.2617307641537434
Energy: 2.322785114716149
Energy: 2.2620512407775504
Energy: 2.24748186386592
Energy: 2.2433716200886513
Energy: 2.242296159272733
Energy: 2.2454294356030498
Energy: 2.242357395438918
Energy: 2.245002006914899
Energy: 2.478305474291948
Energy: 2.522483064795584
Energy: 2.2426825118611933
Energy: 2.269156464701295
Energy: 2.242344280338298
Energy: 2.52129785823698
Energy: 2.4792740326886733
Energy: 2.2456302750043258
Energy: 2.523942302375594
Energy: 2.268867078373924
Energy: 2.500076120936786
Energy: 2.4796554625365035
Energy: 2.4791717560398645
Energy: 2.47856979347023
Energy: 2.5218971389352483
Energy: 2.4777274787873056
Energy: 2.263189609452226
Energy: 2.478846145910458
Energy: 2.364823643911611
Energy: 2.5226328740198216
Energy: 2.2454530237496897
Energy: 2.26590602630467
Energy: 2.524848650655108
Energy: 2.2452308669301027

minimum gb energy = 2.1359106319960395 eV
minimum distance =  2.40567996365748 Angstroms
sigma value = 27


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

Energy: 2.7124860281005723
Energy: 2.3999673526446705
Energy: 2.423357985618978
Energy: 2.425229890689437
Energy: 2.4238596172517055
Energy: 2.3136477002491844
Energy: 2.202739687041233
Energy: 2.221040562412515
Energy: 2.218171284330316
Energy: 2.21730486326423
Energy: 2.2187004848218552
Energy: 2.2179448663887857
Energy: 2.200487058129329
Energy: 2.201551201704486
Energy: 2.6480330855600336
Energy: 2.307586068539429
Energy: 2.2023860241281454
Energy: 2.200817584330697
Energy: 2.2028230579265538
Energy: 2.204258497034924
Energy: 2.121798902740946
Energy: 2.1222086461910923
Energy: 2.2224422777504533
Energy: 2.2044570011158044
Energy: 2.090241105649601
Energy: 2.2916918826185317
Energy: 2.124121112212474
Energy: 2.1231902118854045
Energy: 2.165648902575807
Energy: 2.451365361644948
Energy: 2.0921528373600924
Energy: 2.2593571693660524
Energy: 2.123790919908204
Energy: 2.1231671759513953
Energy: 2.123995742877074
Energy: 2.0917949317274114
Energy: 2.2221377668311892
Energy: 2.2919880029702804
Energy: 2.1650526155027254
Energy: 2.1232066235519547
Energy: 2.1665157013409235
Energy: 2.2018268250874877
Energy: 2.2219814231873367
Energy: 2.2025428576053905
Energy: 2.1214658079685718
Energy: 2.1239646115872373
Energy: 2.290460687615776
Energy: 2.2230850370498665
Energy: 2.2012461998582573
Energy: 2.202079736484636
Energy: 2.2031528794013653
Energy: 2.2182862621153103
Energy: 2.221111530092979
Energy: 2.2015747247130713
Energy: 2.2014719350428402
Energy: 2.2187173438113246
Energy: 2.2192835614921624
Energy: 2.218368605414909
Energy: 2.2006902360873535
Energy: 2.201195836493386
Energy: 2.216525333646164
Energy: 2.2182954212153274
Energy: 2.4013479604261545
Energy: 2.401211553743295
Energy: 2.4021372340929252
Energy: 2.21547741400271
Energy: 2.216696919800095
Energy: 2.5373564329485396
Energy: 2.401513298292431
Energy: 2.4003118771936194
Energy: 2.2209208711470834
Energy: 2.2190972569377205
Energy: 2.4000024104858206
Energy: 2.4010892946615905
Energy: 2.3103493234209447
Energy: 2.303120470992752
Energy: 2.2195783936304427
Energy: 2.4007565122993677
Energy: 2.2172106288759985
Energy: 2.220769268974649
Energy: 2.2179623614142585
Energy: 2.0913971173035284
Energy: 2.217861097406561
Energy: 2.220274698751692
Energy: 2.3059983792192793
Energy: 2.2181798643023383
Energy: 2.200828805665911
Energy: 2.2010949128043906
Energy: 2.284897834796817
Energy: 2.308595221038418
Energy: 2.305753053478838
Energy: 2.2207852535164307
Energy: 2.2052701515869324
Energy: 2.2021362599344236
Energy: 2.203475644004803
Energy: 2.2200479881347426
Energy: 2.121880548503114
Energy: 2.1231033921138818
Energy: 2.456949215196538
Energy: 2.0905108371455907
Energy: 2.29172291261684
Energy: 2.1217366968503595
Energy: 2.1225820713751316
Energy: 2.166601078942025
Energy: 2.091842349457979
Energy: 2.2025774677783265
Energy: 2.2943019442195873
Energy: 2.16576312612787
Energy: 2.1226392717015283
Energy: 2.1653080378851106
Energy: 2.0919626235361863
Energy: 2.2026993871412
Energy: 2.2943703527540054
Energy: 2.163299278127322
Energy: 2.122173584334446
Energy: 2.122364232407268
Energy: 2.4530822010815467
Energy: 2.203810938452249
Energy: 2.4491807145265576
Energy: 2.1216290971517777
Energy: 2.2197720685307836
Energy: 2.309784732202759
Energy: 2.2039966981402515
Energy: 2.202476215346204
Energy: 2.2037690416536955
Energy: 2.1244179251730206
Energy: 2.1993843858900743
Energy: 2.2013118784841574
Energy: 2.2014256590804653
Energy: 2.2008907408342355
Energy: 2.2018118217191254
Energy: 2.2025121702083115
Energy: 2.401393264164696
Energy: 2.2185207299767704
Energy: 2.2202227115230824
Energy: 2.3962022906515545
Energy: 2.527616632642916
Energy: 2.4025734418536175
Energy: 2.400373267152917
Energy: 2.4011154790557074
Energy: 2.198098106786867
Energy: 2.395876994278519
Energy: 2.2218152957724047
Energy: 2.4006931798259283
Energy: 2.0934305473758057
Energy: 2.2175468758207924
Energy: 2.201530040665645
Energy: 2.201103697892033
Energy: 2.220715658573849
Energy: 2.0911816780987587

minimum gb energy = 2.090241105649601 eV
minimum distance =  2.41861209980225 Angstroms
sigma value = 19


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

Energy: 2.4691581914740763
Energy: 2.306405488527839
Energy: 2.3260750479188803
Energy: 2.325892990769569
Energy: 2.306272819382039
Energy: 2.2180167242691744
Energy: 2.136382567549282
Energy: 2.149245087915504
Energy: 2.1492663863513153
Energy: 2.149180720434374
Energy: 2.1491654106452978
Energy: 2.1493768371490707
Energy: 2.136011826962206
Energy: 2.1363134681977867
Energy: 2.050403863956913
Energy: 2.2141080254059515
Energy: 2.1367584631061365
Energy: 2.136145045132271
Energy: 2.1364496990294444
Energy: 2.136666312920314
Energy: 2.0755088214851556
Energy: 2.071827359967713
Energy: 2.3220560318050882
Energy: 2.136960463147313
Energy: 2.0507962760902387
Energy: 2.07032139422362
Energy: 2.0703607446941934
Energy: 2.0718366706477087
Energy: 2.0703330197677814
Energy: 2.320058286333795
Energy: 2.0659832915471132
Energy: 2.0664790097825634
Energy: 2.0705456989003586
Energy: 2.0730470393492753
Energy: 2.070854656566873
Energy: 2.0648474229593874
Energy: 2.0753249483566814
Energy: 2.2208441399837624
Energy: 2.219699180332578
Energy: 2.075049088325903
Energy: 2.2852356123622597
Energy: 2.0716623301567405
Energy: 2.0755541072683683
Energy: 2.072602208715935
Energy: 2.0724136469311984
Energy: 2.1147874333353043
Energy: 2.2341808111900874
Energy: 2.071932400832625
Energy: 2.0694778009985835
Energy: 2.076625816330501
Energy: 2.070267817830149
Energy: 2.1365098484784095
Energy: 2.0707060472877754
Energy: 2.0707473148042093
Energy: 2.0716524856879106
Energy: 2.0708275665750544
Energy: 2.1362886641948897
Energy: 2.1365353502423123
Energy: 2.3200014443207264
Energy: 2.076185780153516
Energy: 2.1323556487053232
Energy: 2.1364160095055658
Energy: 2.136074083810853
Energy: 2.137754845858365
Energy: 2.13708195775121
Energy: 2.137294539058699
Energy: 2.148676511689603
Energy: 2.270406307771689
Energy: 2.136455980542716
Energy: 2.1360186760288804
Energy: 2.1491956991893977
Energy: 2.14884162534343
Energy: 2.3079049025982035
Energy: 2.3082448863826466
Energy: 2.132836194433057
Energy: 2.144896743616681
Energy: 2.14941359359286
Energy: 2.308829515807866
Energy: 2.3094290366024626
Energy: 2.149543198714809
Energy: 2.149126589824619
Energy: 2.1449799993616576
Energy: 2.136346075524452
Energy: 2.3088615103778243
Energy: 2.2119414484910958
Energy: 2.149377222636812
Energy: 2.307421516363255
Energy: 2.306688037055981
Energy: 2.136460560023565
Energy: 2.2126425303097705
Energy: 2.0513104417088885
Energy: 2.149217586062205
Energy: 2.1492883436793075
Energy: 2.1491329110154918
Energy: 2.14943272650293
Energy: 2.0513787641868264
Energy: 2.1359092581967603
Energy: 2.1366139034698124
Energy: 2.0505020482924134
Energy: 2.213376555275552
Energy: 2.149104152924226
Energy: 2.1365620367959965
Energy: 2.1359009831705396
Energy: 2.1371934075144625
Energy: 2.0755725484427834
Energy: 2.141470742531896
Energy: 2.137170651328746
Energy: 2.136581787793142
Energy: 2.0503829374867064
Energy: 2.0702720136101123
Energy: 2.0708677689797694
Energy: 2.0752848634146774
Energy: 2.070203655117523
Energy: 2.0698790867847263
Energy: 2.0654923107361705
Energy: 2.072371391926832
Energy: 2.0707362997215517
Energy: 2.0703508187867965
Energy: 2.077596371974894
Energy: 2.0655063857203873
Energy: 2.075712929458091
Energy: 2.2184251864784965
Energy: 2.219634158949694
Energy: 2.0750238068283977
Energy: 2.219934261968483
Energy: 2.0764187681371964
Energy: 2.0760726549087227
Energy: 2.219502053362208
Energy: 2.075679333005305
Energy: 2.0714999786439363
Energy: 2.234378813030674
Energy: 2.0721147332008805
Energy: 2.069804990351743
Energy: 2.0772197621163433
Energy: 2.0654615079957375
Energy: 2.0652314847197175
Energy: 2.070590316957672
Energy: 2.0708644820819884
Energy: 2.0759505484936964
Energy: 2.0704191972664767
Energy: 2.3197976831730442
Energy: 2.1364949909407627
Energy: 2.070469339810628
Energy: 2.0760744841214223
Energy: 2.074405876737472
Energy: 2.1363966940191497
Energy: 2.1366122228555042
Energy: 2.1359343506710857
Energy: 2.1370408902144815
Energy: 2.07455375535521
Energy: 2.1324347002770843
Energy: 2.1489781532398498
Energy: 2.1367791023904346
Energy: 2.1362355055451543
Energy: 2.136808926647362
Energy: 2.136838362821707
Energy: 2.3098382366674173
Energy: 2.149360362151677
Energy: 2.148896192030003
Energy: 2.1449171595519223
Energy: 2.1360283557128064
Energy: 2.3089016305604355
Energy: 2.310097611294582
Energy: 2.3050588181093543
Energy: 2.132391037897606
Energy: 2.1452176885243355
Energy: 2.1494467450284342
Energy: 2.3098766520140903
Energy: 2.210459654214057
Energy: 2.1366490164571967
Energy: 2.1365246293852715
Energy: 2.1363357530099543
Energy: 2.1494419643455664
Energy: 2.0514348408521523

minimum gb energy = 2.0503829374867064 eV
minimum distance =  2.42648771620385 Angstroms
sigma value = 101


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

Energy: 2.3943364389413726
Energy: 2.2356575529776297
Energy: 2.23899787642604
Energy: 2.2409908019743026
Energy: 2.239340872684103
Energy: 2.0333351841585774
Energy: 2.0866361991879923
Energy: 2.0910943272352003
Energy: 2.0910144679655787
Energy: 2.091193516704879
Energy: 2.091666861130648
Energy: 2.0913255335576255
Energy: 2.079138406036085
Energy: 2.079861826611346
Energy: 2.0343644116257633
Energy: 2.1394874351802566
Energy: 2.07969544113271
Energy: 2.079410918877985
Energy: 2.0910422509121935
Energy: 2.0033503115848825
Energy: 2.0092217516453346
Energy: 2.0092783157075678
Energy: 2.0031564031848963
Energy: 2.0805666633153073
Energy: 2.029874436867864
Energy: 2.016907625789556
Energy: 2.009747341744839
Energy: 2.0054808430821947
Energy: 2.0087641419327427
Energy: 2.399623272800935
Energy: 1.985685254664201
Energy: 1.9853395191914582
Energy: 2.004830900827632
Energy: 2.0078031286881033
Energy: 2.008944778639053
Energy: 1.9866921938993098
Energy: 1.9853870590439153
Energy: 1.9854407044625855
Energy: 2.290786619601548
Energy: 2.008934277897905
Energy: 2.18919057654638
Energy: 1.987411674020175
Energy: 1.9870498334881215
Energy: 1.98725376024699
Energy: 1.9873677659092661
Energy: 1.987387852911011
Energy: 1.9970847739035227
Energy: 1.9853276854921016
Energy: 1.9862907661489366
Energy: 2.084884473057083
Energy: 2.293559513458986
Energy: 2.0084278589754674
Energy: 2.1907319835617542
Energy: 2.083390674665114
Energy: 1.9871986479616153
Energy: 1.9852784040963476
Energy: 2.0109410752704253
Energy: 2.0080377953782205
Energy: 2.2423774503463636
Energy: 1.9857956190502213
Energy: 2.090167100785925
Energy: 2.0094287026002378
Energy: 2.0087764176216596
Energy: 2.005680769450567
Energy: 2.0098787792461206
Energy: 2.0056540945893118
Energy: 2.090528212349663
Energy: 2.003502707680006
Energy: 2.0095404244453197
Energy: 2.0086521224552247
Energy: 2.0089084643441173
Energy: 2.0908649477798598
Energy: 2.0797054814612355
Energy: 2.0796117050749032
Energy: 2.079722034921486
Energy: 2.0875292753428556
Energy: 2.0810641984284053
Energy: 2.0797225923019176
Energy: 2.086182366798637
Energy: 2.0919942494275934
Energy: 2.0091214144892007
Energy: 2.010624490077914
Energy: 2.080094939883625
Energy: 2.0854652905576176
Energy: 2.0880061847999
Energy: 2.0880456305370516
Energy: 2.226121594097896
Energy: 2.226469655171915
Energy: 2.2263754610668225
Energy: 2.0778958623679284
Energy: 2.0881271392269474
Energy: 2.090824203666319
Energy: 2.090684077942011
Energy: 2.2270952290018893
Energy: 2.0926287579367164
Energy: 2.091535620285254
Energy: 2.2266577515640256
Energy: 2.2260686937430574
Energy: 2.137966333516911
Energy: 2.1377725615044176
Energy: 2.080812383905562
Energy: 2.2264553212649663
Energy: 2.0906043975209414
Energy: 2.0910074662890645
Energy: 2.0913257051677596
Energy: 2.0284517255184937
Energy: 2.0806682301741954
Energy: 2.090334351962367
Energy: 2.1392964440949713
Energy: 2.0876737250407618
Energy: 2.087715128544765
Energy: 2.0793879465079166
Energy: 2.079944908297304
Energy: 2.0149004035567897
Energy: 2.0600949612350665
Energy: 2.0105575747649644
Energy: 2.0801041740800663
Energy: 2.0899850723264657
Energy: 2.080251244317838
Energy: 2.008686553744437
Energy: 2.003950140120522
Energy: 2.005094339945862
Energy: 2.008921756655693
Energy: 2.0290252315037414
Energy: 2.0096737119391213
Energy: 2.0042570317638413
Energy: 2.0087582292270105
Energy: 2.0090819604364074
Energy: 2.003459256702674
Energy: 2.015146894107548
Energy: 2.0088955096268135
Energy: 2.00889446626267
Energy: 2.008465096343929
Energy: 2.2815790097356126
Energy: 1.9873779948170658
Energy: 1.9866655964610778
Energy: 2.0832331774249977
Energy: 2.279374902716264
Energy: 1.9888913005486697
Energy: 1.9883933015479216
Energy: 1.988112833377341
Energy: 1.9854812445490797
Energy: 2.0844878353432317
Energy: 1.9882111977281989
Energy: 2.007921061498965
Energy: 2.190038523938607
Energy: 2.084382785000223
Energy: 1.985955215861549
Energy: 2.0855596552908158
Energy: 2.0105552967795153
Energy: 2.008190131968778
Energy: 2.291120770255187
Energy: 1.985897397338604
Energy: 1.9877746516490036
Energy: 2.082359697656619
Energy: 2.0091889167472416
Energy: 2.0048782861085623
Energy: 2.0145292821969303
Energy: 2.202143298010661
Energy: 2.01477959160517
Energy: 2.015851260133726
Energy: 2.0090599164816383
Energy: 2.0078551712125243
Energy: 2.005039919185661
Energy: 2.0092331170897437
Energy: 2.0903672030810996
Energy: 2.004080607156909
Energy: 2.0092167924979347
Energy: 2.0871988567714537
Energy: 2.0802520655279793
Energy: 2.0797741990904184
Energy: 2.0798882298443067
Energy: 2.080171500450907
Energy: 2.0092010585443822
Energy: 2.087192509776075
Energy: 2.0796517658962026
Energy: 2.0874960665388693
Energy: 2.085271720667183
Energy: 2.086902634705703
Energy: 2.0092059579613983
Energy: 2.2261703964494677
Energy: 2.2263476561047058
Energy: 2.003760203187224
Energy: 2.005906719033389
Energy: 2.0875987060332353
Energy: 2.22613555517826
Energy: 2.2263859894370173
Energy: 2.2240377024236637
Energy: 2.0802858792400145
Energy: 2.0879232761280004
Energy: 2.0879379315504236
Energy: 2.2269767428436724
Energy: 2.137244809747927
Energy: 2.0872481103811165
Energy: 2.086943753926126
Energy: 2.0853360376184398
Energy: 2.093148669618484
Energy: 2.0285848527542485

minimum gb energy = 1.9852784040963476 eV
minimum distance =  2.43222341566124 Angstroms
sigma value = 33


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

Energy: 0.019376718750187823
Energy: 0.25957143951471795
Energy: 0.25984396900268586
Energy: 0.25972587787422236
Energy: 0.2600454614148639
Energy: 0.01941373120561778
Energy: 0.10213739488511263
Energy: 0.10165608916971498
Energy: 0.10199518149123687
Energy: 0.10335625957832384
Energy: 0.10170538109533143
Energy: 0.10203974803574878
Energy: 1.1192987020831364
Energy: 0.26037408672784956
Energy: 0.020173827491577062
Energy: 0.01958539855111315
Energy: 0.26054079916032064
Energy: 0.2595189645268287
Energy: 0.020046529914583524
Energy: 0.10165608916971498
Energy: 0.10199518149123687
Energy: 0.10335625957832384
Energy: 0.10170538109363042
Energy: 0.10203974803574878

minimum gb energy = 0.019376718750187823 eV
minimum distance =  2.71311538376599 Angstroms
sigma value = 1