Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8599998205900192
cohesive_energy=1.5373099021567544
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 6.940228634329499e-21, 3.1938910545799796e-20, 5.957693813528999e-20, 8.253725082415379e-20, 1.0061236673828819e-19, 1.1601809616251518e-19, 1.313317004302872e-19, 1.46930812574238e-19, 1.62281266904592e-19, 1.7677295455912198e-19, 1.89960470433576e-19, 2.0158906844314796e-19, 2.1157383322623598e-19, 2.19956421375324e-19, 2.26863404844498e-19, 2.32482238299936e-19, 2.37000376407816e-19, 2.40523562825982e-19, 2.43139917269304e-19, 2.44927946392848e-19, 2.45954941615242e-19, 2.46284990001846e-19, 2.45938919848902e-19, 2.44835020148076e-19, 2.4287075159479196e-19, 2.399259509415e-19, 2.35817970051924e-19, 2.3004212328635397e-19, 2.2190466816226795e-19, 2.1061412942247e-19, 1.9526848162201797e-19, 1.7483592300861598e-19, 1.4814013549758119e-19, 1.138368928929876e-19, 7.039771868599919e-20, 1.6076080127892598e-20, -5.11103959305804e-20, -1.3340988374224858e-19, -2.31975950483592e-19, -3.4605573335429396e-19, -4.7841795379557e-19, -6.354152421612299e-19, -8.2701954582129e-19, -1.0748987015739658e-18, -1.4280376578271739e-18, -1.93055875690464e-18, -2.6160179862288597e-18, -3.5780129025814795e-18, -5.141256644375279e-18, -7.963170349839478e-18, -1.3475715407377919e-17, -2.5404753579357598e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.004736058772282318
Energy: 0.005019090130193355
Energy: 1.5517045988520157
Energy: 0.8610944324926194
Energy: 0.005019090130290779
Energy: 0.17268035573602364
Energy: 0.8618537262516703
Energy: 0.17268035573592622
Energy: 1.5517046011979105
Energy: 0.8618537262519625
Energy: 1.0288649718094587
Energy: 0.8618537262515727
Energy: 0.8610944324923202
Energy: 0.17268035573592622
Energy: 0.8618537262503968
Energy: 0.17268035573592622

minimum gb energy = 0.004736058772282318 eV
minimum distance =  2.43453319970001 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.727750912951717
Energy: 1.9041343612063617
Energy: 0.8619973285569285
Energy: 1.94793842292132
Energy: 1.5806943062202141
Energy: 0.8984796212391235
Energy: 0.8365564332036958
Energy: 0.8984796212386402
Energy: 1.6134685988776325
Energy: 0.7997124073667019
Energy: 0.7993095772902367
Energy: 0.7997124073667019
Energy: 1.64346269094508
Energy: 0.8256252002384896
Energy: 0.7994202747338768
Energy: 0.8256252002388489
Energy: 1.6087799440218895
Energy: 0.7994872748607368
Energy: 0.8616272013471177
Energy: 0.7994872748609854
Energy: 1.643652575048846
Energy: 0.8255156146786512
Energy: 1.109556513230719
Energy: 0.8255156146792588
Energy: 1.3909654036597336
Energy: 1.0047188733858836
Energy: 1.1331272993844617
Energy: 1.0047188733887975
Energy: 1.4261704110382583
Energy: 0.9877094280216346
Energy: 1.1012487378755467
Energy: 0.9877094280209029
Energy: 1.3664511986704404
Energy: 0.9871609058699186
Energy: 1.2426271990448643
Energy: 0.9871609058718658
Energy: 1.4246153105222428
Energy: 1.020888362587118
Energy: 1.4564957459947423
Energy: 1.0208883625876013
Energy: 1.5304473588037155
Energy: 0.9872481727208955
Energy: 1.4988360479833711
Energy: 0.9872481727227185
Energy: 1.0990621186914775
Energy: 0.9875920434116642
Energy: 1.401924085548059
Energy: 0.987592043410573
Energy: 1.1334058539350744
Energy: 1.135214411351804
Energy: 1.4021010836161016
Energy: 1.1352144113513207
Energy: 1.114601335691782
Energy: 0.799789607304046
Energy: 1.6435471400563495
Energy: 0.7997896073067116
Energy: 1.100319664026616
Energy: 0.799733653313787
Energy: 1.7367714951905933
Energy: 0.7997336533183997
Energy: 0.8256014605093841
Energy: 0.825040754208735
Energy: 1.6655583216971557
Energy: 0.8250407542088594
Energy: 0.7993721431120243
Energy: 0.7996651048436508
Energy: 1.6144811746426397
Energy: 0.7996651048438856
Energy: 0.7996328821990298
Energy: 0.8629597258245243
Energy: 1.5982874933277376
Energy: 0.8629597258245243
Energy: 0.828315687491661
Energy: 0.7996818254821897
Energy: 1.8470924036252878
Energy: 0.7996818254818308
Energy: 0.9811827610542717
Energy: 0.8620944205982738
Energy: 1.6386042356226376
Energy: 0.8620944205985224
Energy: 0.917779953243346
Energy: 0.7997669437815557
Energy: 1.6151543559144856
Energy: 0.7997669437808238
Energy: 0.9064198114680236
Energy: 0.8000214717594119
Energy: 1.5898367538192997
Energy: 0.8000214717592876
Energy: 0.9077976483201677
Energy: 0.7999728385780613
Energy: 1.6181271282056242
Energy: 0.7999728385785446
Energy: 1.29617522384935
Energy: 0.7992759189095819
Energy: 1.6217024932825683
Energy: 0.7992759189094577
Energy: 1.2489228421304537
Energy: 1.1660391739172233
Energy: 1.707674622638699
Energy: 1.1660391739175824
Energy: 1.2754937492983078
Energy: 1.147752339720491
Energy: 1.2853250074123568
Energy: 1.1477523397175768
Energy: 1.262167356227427
Energy: 1.0500603816488645
Energy: 1.3762645878477833
Energy: 1.050060381654085
Energy: 1.5898121789490318
Energy: 1.1557443662125435
Energy: 1.2866285605681114
Energy: 1.1557443662125435
Energy: 1.4630420020161488
Energy: 0.7997701902277105
Energy: 1.274560123947199
Energy: 0.7997701902274756
Energy: 1.4857572270954054
Energy: 0.7998964390242653
Energy: 0.9060838795991945
Energy: 0.7998964390237822
Energy: 1.569619738299247
Energy: 0.9112088235883865
Energy: 0.905893524329493
Energy: 0.9112088235882623
Energy: 1.5963327028104541
Energy: 0.799830918874124
Energy: 0.9410062978888656
Energy: 0.79983091887498
Energy: 1.5981512368684734
Energy: 0.8355252569485757
Energy: 0.889383195650561
Energy: 0.8355252569341163

minimum gb energy = 0.7992759189094577 eV
minimum distance =  2.35735366467642 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.9182527564953669
Energy: 1.77848604032965
Energy: 0.9089909184009825
Energy: 1.8870793833859267
Energy: 1.6625823124981802
Energy: 0.8306356195932819
Energy: 0.908769433121971
Energy: 0.8306356195949511
Energy: 1.6278737410458441
Energy: 0.8306483152207514
Energy: 0.8302145303447539
Energy: 0.8306483152222789
Energy: 1.6298333196468033
Energy: 0.9089081411011023
Energy: 0.8308700481875931
Energy: 0.9089081410998583
Energy: 1.6207293288052762
Energy: 0.9091994096890369
Energy: 0.9937953358597195
Energy: 0.9091994096858403
Energy: 1.6302132076206355
Energy: 0.9088770413499305
Energy: 1.097544364919128
Energy: 0.9088770413500723
Energy: 1.6736936029000808
Energy: 1.0354912293858196
Energy: 1.0540801194674023
Energy: 1.0354912293852527
Energy: 1.5029869795047743
Energy: 1.035129724128133
Energy: 1.0546819401558438
Energy: 1.0351297241289674
Energy: 1.636327219669221
Energy: 0.9006272667888492
Energy: 1.098001427217597
Energy: 0.9006272667892743
Energy: 1.5063812942895778
Energy: 0.9008705182016108
Energy: 1.463204642297066
Energy: 0.9008705182025871
Energy: 1.573970325141309
Energy: 0.9006551021245068
Energy: 1.35544387556757
Energy: 0.9006551021240817
Energy: 1.0544112458856563
Energy: 1.0350458263424196
Energy: 1.2546948430987395
Energy: 1.0350458263432383
Energy: 1.0897606052975624
Energy: 1.0919850240779347
Energy: 1.7260594066872015
Energy: 1.0919850240801552
Energy: 1.1241237110729692
Energy: 0.8308992828600639
Energy: 1.6298796786305387
Energy: 0.8308992828599222
Energy: 1.0347461578189394
Energy: 0.9092530834570579
Energy: 1.9141476978332546
Energy: 0.9092530834542866
Energy: 0.9088678437941876
Energy: 0.9090326415932762
Energy: 1.663635612881419
Energy: 0.9090326415943785
Energy: 0.8304551292586294
Energy: 0.8307096618906638
Energy: 1.629672816922736
Energy: 0.8307096618905377
Energy: 0.8306692893196386
Energy: 0.8306319235595112
Energy: 1.6298329289530833
Energy: 0.8306319235588185
Energy: 0.9088650266984906
Energy: 0.8309001865171897
Energy: 1.6205102861113982
Energy: 0.830900186515804
Energy: 1.0977346307551321
Energy: 0.9089714403436587
Energy: 1.6302100537416393
Energy: 0.9089714403461624
Energy: 1.0545962495789187
Energy: 1.0355877944615157
Energy: 1.6285438561768686
Energy: 1.0355877944617993
Energy: 1.054463680368957
Energy: 1.0353412389379428
Energy: 1.5060104297095354
Energy: 1.0353412389361476
Energy: 1.0973715003870228
Energy: 0.9007967306814187
Energy: 1.6360227233673692
Energy: 0.9007967306815605
Energy: 1.4637456293172326
Energy: 0.9010129550651776
Energy: 1.5049251239317165
Energy: 0.9010129550650515
Energy: 1.3616422212489596
Energy: 1.0352132283410362
Energy: 1.5735804488202345
Energy: 1.0352132283420126
Energy: 1.2533790262245503
Energy: 1.035103719683411
Energy: 1.123785647998577
Energy: 1.0351037196854893
Energy: 1.4638318513915578
Energy: 1.091758246481828
Energy: 1.0890015244171294
Energy: 1.0917582464821114
Energy: 1.6295194864585345
Energy: 0.830619442475715
Energy: 1.1239171311879022
Energy: 0.8306194424743292
Energy: 1.563615475508423
Energy: 0.9093857994419086
Energy: 1.0329409114461576
Energy: 0.9093857994417668

minimum gb energy = 0.8302145303447539 eV
minimum distance =  2.36945643795188 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.8184762088282707
Energy: 1.8732615576631637
Energy: 1.0068771858344687
Energy: 1.9566625124933912
Energy: 1.4796015443223849
Energy: 0.9669200940759425
Energy: 0.9420420091246575
Energy: 0.9669200940760981
Energy: 1.5391781627889911
Energy: 0.8987056056791727
Energy: 0.8926445816234062
Energy: 0.8987056056791727
Energy: 1.538878771089485
Energy: 0.9189420652267708
Energy: 0.8987305105607615
Energy: 0.9189420652266059
Energy: 1.6614901349155764
Energy: 0.8985229419119715
Energy: 0.9666443389220397
Energy: 0.8985229419124565
Energy: 1.5387647625005252
Energy: 0.8984872565113851
Energy: 1.277757079703631
Energy: 0.8984872565115497
Energy: 1.5328295731014179
Energy: 1.0618606616686326
Energy: 1.326905933750561
Energy: 1.0618606616715247
Energy: 1.2715809530841917
Energy: 1.1626896881134579
Energy: 1.2775779429821104
Energy: 1.1626896881134579
Energy: 1.3528823106230352
Energy: 1.1805798913216545
Energy: 1.2779823984650889
Energy: 1.1805798912719028
Energy: 1.3162078047242467
Energy: 0.8990527955154349
Energy: 1.538981330478822
Energy: 0.8990527955164053
Energy: 1.2621012551224873
Energy: 0.8985834309488715
Energy: 1.5296241690545003
Energy: 0.8985834309488715
Energy: 0.9191784618159287
Energy: 0.9186783030838642
Energy: 1.5778491501396668
Energy: 0.9186783030854748
Energy: 0.9010715222270754
Energy: 0.8987153670480715
Energy: 1.539601759903779
Energy: 0.8987153670480715
Energy: 0.9667277613724925
Energy: 0.8967868301621004
Energy: 1.509769979674779
Energy: 0.8967868301624207
Energy: 0.9263958604955421
Energy: 0.8988005178432807
Energy: 1.652408644305472
Energy: 0.8988005178432807
Energy: 1.1239774467295285
Energy: 0.9660685474782528
Energy: 1.532348708563422
Energy: 0.9660685474780879
Energy: 1.0328783711176368
Energy: 0.8931041903013103
Energy: 1.5071505015410123
Energy: 0.8931041903014751
Energy: 1.032007684372635
Energy: 0.8932974061728265
Energy: 1.4816794473846697
Energy: 0.8932974061881199
Energy: 1.0322446502410032
Energy: 0.8933981490637161
Energy: 1.3379006539523648
Energy: 0.8933981489993208
Energy: 1.4826025716031233
Energy: 0.8932629716826044
Energy: 1.4819835988396772
Energy: 0.8932629716790624
Energy: 1.3605661925981762
Energy: 0.8932369115858093
Energy: 1.47458390165853
Energy: 0.8932369115856538
Energy: 1.3613212711700915
Energy: 0.893305999674482
Energy: 1.0853374193443583
Energy: 0.893305999674006
Energy: 1.472928313827772
Energy: 1.0471970121929883
Energy: 1.039751370620253
Energy: 1.047197012193153
Energy: 1.5071328804966728
Energy: 0.8986110086272671
Energy: 1.085073665521081
Energy: 0.8986110086272671
Energy: 1.599034870724851
Energy: 0.9427278175792532
Energy: 1.045285194579754
Energy: 0.9427278175768369

minimum gb energy = 0.8926445816234062 eV
minimum distance =  2.33312765166875 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.6648538514807938
Energy: 1.6261134389824086
Energy: 0.9378108439431718
Energy: 1.0193291033786194
Energy: 1.4346030004093004
Energy: 1.0192544713510105
Energy: 1.0198336931835714
Energy: 1.0192544713502354
Energy: 1.4715052290046686
Energy: 0.93718671289752
Energy: 0.9351019692842363
Energy: 0.9371867128973344
Energy: 1.4725614304023693
Energy: 1.0194845966005668
Energy: 1.0192038690652419
Energy: 1.0194845966007524
Energy: 1.2711702822000293
Energy: 0.9387671993640435
Energy: 1.060447552748279
Energy: 0.9387671993628971
Energy: 1.472086922690465
Energy: 1.0407245611075244
Energy: 1.2783722194237643
Energy: 1.0407245611077098
Energy: 1.471733410309353
Energy: 1.0407565565156365
Energy: 0.9185865303964753
Energy: 1.0407565565156365
Energy: 1.2780479509180143
Energy: 1.0405536098856238
Energy: 1.2183049014635265
Energy: 1.040553609886017
Energy: 1.3012308285762888
Energy: 1.0407229155956323
Energy: 1.2190760714132045
Energy: 1.0407229155956323
Energy: 1.2781036460455855
Energy: 1.0407006187481587
Energy: 1.471888150126758
Energy: 1.0407006187483552
Energy: 1.2811596061149688
Energy: 1.0196475335096902
Energy: 1.666836077274537
Energy: 1.0196475335094937
Energy: 1.0194333170523395
Energy: 1.0196135137709839
Energy: 1.439916342930476
Energy: 1.0196135137711695
Energy: 0.936972467286813
Energy: 0.9371426801804236
Energy: 1.471629220120771
Energy: 0.9371426801813844
Energy: 1.0191347419395402
Energy: 0.9385129277547898
Energy: 1.472133773828982
Energy: 0.9385129277547898
Energy: 1.0192883785222602
Energy: 0.9386250802549269
Energy: 1.2742538386555144
Energy: 0.9386250802541515
Energy: 1.2802553952670244
Energy: 1.1053339011876553
Energy: 1.4724633764638764
Energy: 1.1053339011870766
Energy: 0.910316060492562
Energy: 1.040762103029236
Energy: 1.4719059886672785
Energy: 1.0407621030294216
Energy: 0.9188473189067013
Energy: 1.0406407928469854
Energy: 1.2796334161747462
Energy: 1.0406407928466033
Energy: 1.218870122556583
Energy: 1.3033707936628098
Energy: 1.2906103556036146
Energy: 1.3033707936464873
Energy: 1.4721452068443859
Energy: 1.040796566797372
Energy: 1.2798437273694785
Energy: 1.040796566797372
Energy: 1.4404243837369832
Energy: 1.0192372538642163
Energy: 1.2810947885749762
Energy: 1.0192372538642163

minimum gb energy = 0.910316060492562 eV
minimum distance =  2.36798637393357 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.4414004221794623
Energy: 1.7961896235491288
Energy: 1.173456929792372
Energy: 1.9241156222805385
Energy: 1.2633029931998103
Energy: 1.0465514047092426
Energy: 1.1726758624000335
Energy: 1.046551404709013
Energy: 1.3487838791229911
Energy: 1.0146964264818248
Energy: 1.0177551737858532
Energy: 1.0146964264811091
Energy: 1.3499512373086053
Energy: 1.0327709255981872
Energy: 1.112840585576592
Energy: 1.0327709255981872
Energy: 1.2177105493393352
Energy: 1.0184733543575437
Energy: 1.2206099231419674
Energy: 1.0184733543090843
Energy: 1.4207215288359722
Energy: 1.1188419311841735
Energy: 1.348956856202736
Energy: 1.1188419311839304
Energy: 1.4077749426703836
Energy: 1.0326680493803997
Energy: 1.3977841569477025
Energy: 1.0326680493799274
Energy: 1.0321957357203688
Energy: 1.0327077037614911
Energy: 1.3782592267248521
Energy: 1.0327077037614911
Energy: 1.0321855506572883
Energy: 1.0157031467450417
Energy: 1.3754468573042296
Energy: 1.0157031467452715
Energy: 1.1129159521931629
Energy: 1.0468429223775304
Energy: 1.373945423977759
Energy: 1.0468429223777735
Energy: 1.0311986497273604
Energy: 1.0447403503845962
Energy: 1.7768242650022672
Energy: 1.0447403503845962
Energy: 1.3633946251584468
Energy: 1.172696348371758
Energy: 1.478935175030657
Energy: 1.17269634837057
Energy: 1.2039794065631124
Energy: 1.0874875797479193
Energy: 1.3743703144119952
Energy: 1.087487579748635
Energy: 1.203695163001468
Energy: 1.0875175944083624
Energy: 1.2731360198263353
Energy: 1.0875175944104956
Energy: 1.3636797645486534
Energy: 1.237852958979918
Energy: 1.2207300414566584
Energy: 1.2378529589801477
Energy: 1.3749002409118232
Energy: 1.0183197078002035
Energy: 1.273224887719506
Energy: 1.0183197078006763
Energy: 1.2628487825931685
Energy: 1.1730418835269383
Energy: 1.3398558469597237
Energy: 1.1730418835269383

minimum gb energy = 1.0146964264811091 eV
minimum distance =  2.34927595934526 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.9162924972377338
Energy: 1.1205941036583498
Energy: 1.2802974055272918
Energy: 1.983996613937635
Energy: 1.2438390715426402
Energy: 1.0438571704279096
Energy: 1.2411246270084961
Energy: 1.043857170427099
Energy: 1.336276564856953
Energy: 1.03554169200251
Energy: 1.0748559355351937
Energy: 1.035541692002648
Energy: 1.2672064995296373
Energy: 1.035827588452713
Energy: 1.077164363480824
Energy: 1.035827588452973
Energy: 1.2839988056520484
Energy: 1.2857980726778908
Energy: 1.2124890363752885
Energy: 1.2857980726776308
Energy: 1.3230785288868832
Energy: 1.0444060913808095
Energy: 1.2625191376136695
Energy: 1.0444060913775823
Energy: 1.3624506267148184
Energy: 1.1515288861902828
Energy: 1.2251868645315669
Energy: 1.1515288861905584
Energy: 1.1514247485905391
Energy: 1.152320205173732
Energy: 1.329122504509549
Energy: 1.152320205173457
Energy: 1.0615712874002123
Energy: 1.0400543133529039
Energy: 1.2964735765244568
Energy: 1.0400543133526436
Energy: 1.05308083915513
Energy: 1.0386786588709644
Energy: 1.2982648837198392
Energy: 1.0386786588709644
Energy: 1.1426400528378602
Energy: 1.1956375985843726
Energy: 1.271797615856688
Energy: 1.1956375985843726
Energy: 1.2978815947345013
Energy: 1.0535527379623542
Energy: 1.2981130124600662
Energy: 1.0535527379619412
Energy: 1.2353181683747079
Energy: 1.069090583388197
Energy: 1.2988127554876172
Energy: 1.0690905833864535
Energy: 1.236320895611867
Energy: 1.0689159735211726
Energy: 1.1221789035114504
Energy: 1.0689159735211726
Energy: 1.2723606236080125
Energy: 1.038374750025121
Energy: 1.0678321847643462
Energy: 1.038374750025121
Energy: 1.2623403003895703
Energy: 1.0439074386239378
Energy: 1.08237138956331
Energy: 1.043907438624213
Energy: 1.281595518067045
Energy: 1.1517776460615297
Energy: 1.1388526188804093
Energy: 1.151777646061254
Energy: 1.2812936938191688
Energy: 1.152239726844074
Energy: 1.3859594346915711
Energy: 1.152239726844074
Energy: 1.2665956662872586
Energy: 1.1027727427795262
Energy: 1.2744112064521116
Energy: 1.1027727427793885
Energy: 1.2327119001654814
Energy: 1.2962529465309973
Energy: 1.2872856716833034
Energy: 1.2962529465283055
Energy: 1.0353912223134514
Energy: 1.0354527311736652
Energy: 1.272462712060891
Energy: 1.03545273117313
Energy: 1.1057571877569388
Energy: 1.0429361804107666
Energy: 1.298532404155737
Energy: 1.0429361804106443
Energy: 1.2539525389113992
Energy: 1.1638532069013843
Energy: 1.2912660215578322
Energy: 1.1638532069016596
Energy: 1.4664525877267396
Energy: 1.2422510181136355
Energy: 1.2801745812742436
Energy: 1.2422510181034037
Energy: 1.301056698150109
Energy: 1.0441445825894318
Energy: 1.2754722130669327
Energy: 1.0441445825907776
Energy: 1.1577642519912157
Energy: 1.0415845607726348
Energy: 1.2986563644185578
Energy: 1.041584560758381
Energy: 1.2079443027604566
Energy: 1.1745761696447965
Energy: 1.1880869225207016
Energy: 1.1745761696450718
Energy: 1.3364300863930447
Energy: 1.0416781441005267
Energy: 1.1590466459384323
Energy: 1.0416781442282013
Energy: 1.2914640892298623
Energy: 1.042971213448786
Energy: 1.3394399079346144
Energy: 1.0429712134459568
Energy: 1.3279205284500226
Energy: 1.0838930836523704
Energy: 1.372313186906618
Energy: 1.0838930836223788

minimum gb energy = 1.0353912223134514 eV
minimum distance =  2.32893239626711 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.9478719136926826
Energy: 0.9516539077997332
Energy: 1.4836156275136192
Energy: 1.5541788154491276
Energy: 0.9518489258943034
Energy: 1.079308354579144
Energy: 1.1508216577652637
Energy: 1.079308354579452
Energy: 1.2399441376784102
Energy: 0.9764604899669724
Energy: 1.151059509854075
Energy: 0.9764604899858622
Energy: 1.2404624326680427
Energy: 1.1530004552738937
Energy: 1.3503044246179263
Energy: 1.1530004552738937
Energy: 1.1320383614463168
Energy: 1.0429812818231365
Energy: 1.6582196156771618
Energy: 1.0429812818237618
Energy: 1.2400630080578499
Energy: 0.9759183207483018
Energy: 1.368104881509812
Energy: 0.9759183207461362
Energy: 1.2396153864597454
Energy: 0.976061320866823
Energy: 0.9516035105304104
Energy: 0.9760613208662067
Energy: 1.151495839499221
Energy: 1.0805375985396697
Energy: 0.9516668020997394
Energy: 1.0805375985387455
Energy: 1.150550050306776
Energy: 0.9763116242212111
Energy: 1.2395379892822074
Energy: 0.9763116242212111
Energy: 1.1502016733424596
Energy: 0.9758448081145552
Energy: 1.2398728722393924
Energy: 0.9758448082412302
Energy: 1.6555425070509653
Energy: 1.253656125478242
Energy: 1.1323405512800264
Energy: 1.2536561254810235
Energy: 1.3674742786096876
Energy: 1.1209526435094226
Energy: 1.240079922684081
Energy: 1.1209526435103556
Energy: 0.9517020759552703
Energy: 1.087228231393563
Energy: 1.2399124385766618
Energy: 1.087228231393563

minimum gb energy = 0.9478719136926826 eV
minimum distance =  2.33565555254523 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.7495887907740237
Energy: 1.449667426935081
Energy: 1.453103544320568
Energy: 1.4347156341544824
Energy: 1.405178242034088
Energy: 1.2526432635018594
Energy: 1.3981482519096164
Energy: 1.2526432635015075
Energy: 1.2171552921585251
Energy: 1.1540637720344022
Energy: 1.2204547695264045
Energy: 1.154063772034285
Energy: 1.164807522715584
Energy: 1.1548051927434302
Energy: 1.1627967437033655
Energy: 1.154812869848275
Energy: 1.1307055511039892
Energy: 1.1585336904565822
Energy: 1.196316905044921
Energy: 1.1585336904750478
Energy: 1.3698553846602761
Energy: 1.272290880556938
Energy: 1.2168014712985247
Energy: 1.2722908805563644
Energy: 1.3673498739968717
Energy: 1.430997302904518
Energy: 1.5953469721268625
Energy: 1.430997302904635
Energy: 1.4910200244743428
Energy: 1.35947962166513
Energy: 1.5952209827221704
Energy: 1.3594796216632925
Energy: 1.4112262557728372
Energy: 1.2681194840311751
Energy: 1.215483476444493
Energy: 1.2681194840297938
Energy: 1.1929537403323591
Energy: 1.2831108678699605
Energy: 1.093989875399107
Energy: 1.283110867851612
Energy: 1.3448612999923555
Energy: 1.09514394614961
Energy: 1.0964217309774202
Energy: 1.0951439461490364
Energy: 1.4258238425202927
Energy: 1.1887770572449576
Energy: 1.237445140337839
Energy: 1.188777057243016
Energy: 1.5672533243524673
Energy: 1.2936360061281504
Energy: 1.3185254047841706
Energy: 1.293636006127929
Energy: 1.5973864359648509
Energy: 1.3187707877485282
Energy: 1.522592381043239
Energy: 1.3187707877485282
Energy: 1.4279561153160019
Energy: 1.2945733572700984
Energy: 1.519041076087156
Energy: 1.2945733572696423
Energy: 1.2526923902809965
Energy: 1.3029333617788652
Energy: 1.3926458748187422
Energy: 1.302933361778631
Energy: 1.1376679211790528
Energy: 1.1378643528101078
Energy: 1.46688391239018
Energy: 1.1378643528101078
Energy: 1.1873500057034745
Energy: 1.1872575399883771
Energy: 1.4558588559498125
Energy: 1.1872575400413377
Energy: 1.2148625475705552
Energy: 1.1753361311257582
Energy: 1.4526765265920663
Energy: 1.1753361311255233
Energy: 1.2005654380337611
Energy: 1.2005151840545123
Energy: 1.4816672025554605
Energy: 1.2005147585218239
Energy: 1.509740798811391
Energy: 1.173278864820756
Energy: 1.4699899192480215
Energy: 1.1732788648208734
Energy: 1.5374553212967246
Energy: 1.2008024304105205
Energy: 1.4372394947725637
Energy: 1.20080243041155
Energy: 1.5372853016508246
Energy: 1.1998162891645705
Energy: 1.1997378165356805
Energy: 1.199816289165144
Energy: 1.5388088060713303
Energy: 1.1673333002779254
Energy: 1.2253336363312992
Energy: 1.16733330027816
Energy: 1.4826089554975115
Energy: 1.1345218855933594
Energy: 1.1497552243734832
Energy: 1.1345218855922126
Energy: 1.2894564928033
Energy: 1.3022194249568764
Energy: 1.1344534668738022
Energy: 1.3022194249569807
Energy: 1.4989390077314895
Energy: 1.2368077913257955
Energy: 1.3753900106247257
Energy: 1.2368077913253392
Energy: 1.5385996198089908
Energy: 1.2689914592085463
Energy: 1.4410025799916542
Energy: 1.2689914592081943
Energy: 1.2921771229271832
Energy: 1.3199531028378975
Energy: 1.5396196614850794
Energy: 1.3199531028382492
Energy: 1.3143383191406697
Energy: 1.2494092458794903
Energy: 1.4369482998433438
Energy: 1.249409245879725
Energy: 1.1061042311483136
Energy: 1.1559712094943968
Energy: 1.372321997846412
Energy: 1.1559712094942796
Energy: 1.0937422829780195
Energy: 1.0940152820846007
Energy: 1.3194826427310737
Energy: 1.0940152820854088
Energy: 1.2854499270683102
Energy: 1.2840194410483396
Energy: 1.2929884527001556
Energy: 1.284019441048809
Energy: 1.2950220667589334
Energy: 1.2775561154278214
Energy: 1.4436391412907492
Energy: 1.277556115427587
Energy: 1.5323050761662858
Energy: 1.437629706134305
Energy: 1.5419803838353665
Energy: 1.4376297061324677

minimum gb energy = 1.0937422829780195 eV
minimum distance =  2.31336945298033 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.7182727402599418
Energy: 1.7730546071159778
Energy: 1.4343367520391124
Energy: 1.9106895910770116
Energy: 1.5494735797788932
Energy: 1.267182810385081
Energy: 1.3744054364884055
Energy: 1.267182810385081
Energy: 1.177988598958214
Energy: 1.2091633580058863
Energy: 1.217727095801707
Energy: 1.2091633580049763
Energy: 1.1779060874585758
Energy: 1.2092641407874143
Energy: 1.1765328920605962
Energy: 1.2092641407872387
Energy: 1.170943238387217
Energy: 1.2087689296122097
Energy: 1.2293490635574733
Energy: 1.2087689296123854
Energy: 1.3268124680559226
Energy: 1.3388662864365133
Energy: 1.2906244906228241
Energy: 1.3388662864365133
Energy: 1.4241488306297887
Energy: 1.424877996750519
Energy: 1.6519624439917429
Energy: 1.4248779967494336
Energy: 1.5968874512507545
Energy: 1.3644904074631738
Energy: 1.6567343913777641
Energy: 1.3644904074626256
Energy: 1.5040116546554474
Energy: 1.2553571141025253
Energy: 1.2904592283274716
Energy: 1.255357114102887
Energy: 1.2517933548054883
Energy: 1.254981519343552
Energy: 1.1209746579393274
Energy: 1.2549815193410092
Energy: 1.5032088718198147
Energy: 1.1204014469792114
Energy: 1.1186625754960906
Energy: 1.1204014469792114
Energy: 1.4530458090701857
Energy: 1.3006790500844196
Energy: 1.2139161013228361
Energy: 1.300679050084606
Energy: 1.4067228916135288
Energy: 1.226619906304186
Energy: 1.2396209355708048
Energy: 1.2266199063052714
Energy: 1.4073723132880613
Energy: 1.2268538317773106
Energy: 1.5253349346299006
Energy: 1.2268538317771347
Energy: 1.5604823145294269
Energy: 1.378974264353501
Energy: 1.5754937610040418
Energy: 1.378974264353687
Energy: 1.379281791459619
Energy: 1.223859253870492
Energy: 1.557312457931322
Energy: 1.223859253869758
Energy: 1.225112191897128
Energy: 1.2234089744837293
Energy: 1.5628225573352479
Energy: 1.2234089744837293
Energy: 1.1920656386912296
Energy: 1.2150784168575224
Energy: 1.452134756889522
Energy: 1.2150784168575224
Energy: 1.120338483762911
Energy: 1.1204666678731754
Energy: 1.4517094923761487
Energy: 1.1204666678731754
Energy: 1.120191460068393
Energy: 1.255060193894351
Energy: 1.420945849818934
Energy: 1.2550601943217286
Energy: 1.4540342481768849
Energy: 1.2482179630516517
Energy: 1.5409411569560147
Energy: 1.2482179630516517
Energy: 1.5530565222300603
Energy: 1.3317940519490659
Energy: 1.5698176600479168
Energy: 1.3317940519481561

minimum gb energy = 1.1186625754960906 eV
minimum distance =  2.32016611740966 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.9312589199376877
Energy: 1.6438125852403676
Energy: 1.422353956022844
Energy: 1.8449065250795202
Energy: 1.7274251581408933
Energy: 1.2116243884428104
Energy: 1.3250764355752116
Energy: 1.2116243884428104
Energy: 1.2924327757502871
Energy: 1.2191602963982335
Energy: 1.1978194740686796
Energy: 1.2191602964000317
Energy: 1.1977588558065029
Energy: 1.2135114230649116
Energy: 1.1910862566897484
Energy: 1.2135114230640052
Energy: 1.195998644808831
Energy: 1.2182218117261938
Energy: 1.2921556542406285
Energy: 1.2182218117261938
Energy: 1.3235291981426394
Energy: 1.2120420751625325
Energy: 1.5884374361948028
Energy: 1.212042075162284
Energy: 1.3268896538466384
Energy: 1.410329612673912
Energy: 1.5240487668418787
Energy: 1.4103296126749354
Energy: 1.536883684756227
Energy: 1.3253175790421785
Energy: 1.5245867445120238
Energy: 1.325317579042427
Energy: 1.480407651250809
Energy: 1.2980625718165244
Energy: 1.5219610760991615
Energy: 1.2980625718167729
Energy: 1.3043997025664995
Energy: 1.4881666957659394
Energy: 1.1544489237579134
Energy: 1.4881666957647843
Energy: 1.525720505660743
Energy: 1.157970213117047
Energy: 1.1563144719600593
Energy: 1.157970213117047
Energy: 1.4892944115513842
Energy: 1.1828339067638949
Energy: 1.1830029638932176
Energy: 1.18283390676505
Energy: 1.5078454734322395
Energy: 1.1581547438585056
Energy: 1.1574133426118958
Energy: 1.158154743858111
Energy: 1.5080572614294752
Energy: 1.2945333306376332
Energy: 1.3015409505065747
Energy: 1.294533330638028
Energy: 1.5736978658136294
Energy: 1.2113902698670027
Energy: 1.4320694616195306
Energy: 1.2113902698670027
Energy: 1.5374556570250184
Energy: 1.2121329087338164
Energy: 1.7408060361410018
Energy: 1.2121329087073252
Energy: 1.426460419774925
Energy: 1.2116265864225684
Energy: 1.7272663443841187
Energy: 1.2116265864242353
Energy: 1.3463151095483852
Energy: 1.1904719605756162
Energy: 1.2820331800764888
Energy: 1.1904719605754845
Energy: 1.1925795098962464
Energy: 1.218900609165755
Energy: 1.194546085890904
Energy: 1.2189006091663983
Energy: 1.1990054730689943
Energy: 1.2182685246019174
Energy: 1.1964558832686127
Energy: 1.2182685246017857
Energy: 1.4536167403295777
Energy: 1.2224477189639575
Energy: 1.3223304016278374
Energy: 1.2224477189639575
Energy: 1.5238212709810204
Energy: 1.3256794400659697
Energy: 1.4095334250463025
Energy: 1.3256794400658527
Energy: 1.5238783572325456
Energy: 1.3254867501660703
Energy: 1.6154702942345545
Energy: 1.3254867501458802
Energy: 1.5220982852627412
Energy: 1.1531920782891139
Energy: 1.522477173178654
Energy: 1.1531920782891139
Energy: 1.3037060375999157
Energy: 1.2945869077602725
Energy: 1.3044638843257437
Energy: 1.294586907759103
Energy: 1.1528188689856294
Energy: 1.158155532603572
Energy: 1.3019592587290694
Energy: 1.1581555326031918
Energy: 1.1829352969646196
Energy: 1.100830548785536
Energy: 1.487877956108772
Energy: 1.1008305487854044
Energy: 1.1572212479105501
Energy: 1.1579543388763824
Energy: 1.5746275436855006
Energy: 1.1579543388766458
Energy: 1.157743842735324
Energy: 1.2957191020436059
Energy: 1.5308370679277077
Energy: 1.2957191020221293
Energy: 1.4312183468316342
Energy: 1.1580892328275234
Energy: 1.5733826981341745
Energy: 1.1580892328261199
Energy: 1.6971371281723568
Energy: 1.2120981209251753
Energy: 1.5731065922856904
Energy: 1.212098120925307

minimum gb energy = 1.1008305487854044 eV
minimum distance =  2.34735805499425 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.4586937330362981
Energy: 1.3060259901466311
Energy: 1.4737176995852335
Energy: 1.62216116613268
Energy: 1.3345708908433653
Energy: 1.0823364123691157
Energy: 1.313227938963242
Energy: 1.0823364123691157
Energy: 1.273019920262291
Energy: 1.0798309445390746
Energy: 1.1837759146049518
Energy: 1.07983094453951
Energy: 1.1829062683646545
Energy: 1.0645337168844904
Energy: 0.9883820613114586
Energy: 1.0645337168844904
Energy: 1.2006478604825612
Energy: 1.1898787248603553
Energy: 1.2727178427665076
Energy: 1.1898787248603553
Energy: 1.174857498240745
Energy: 1.0782588001364337
Energy: 1.2735092303920563
Energy: 1.0782588001364337
Energy: 1.182381030704365
Energy: 1.3137786035515902
Energy: 1.2124652389786104
Energy: 1.3137786035515902
Energy: 1.2418298384544475
Energy: 1.1834513550671446
Energy: 1.2419625139296584
Energy: 1.1834513550671446
Energy: 1.3355601539242639
Energy: 1.0685488833195345
Energy: 1.3520049350158705
Energy: 1.0685488833190986

minimum gb energy = 0.9883820613114586 eV
minimum distance =  2.38895011909395 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.7046255742576764
Energy: 1.5128966753755115
Energy: 1.601859283380303
Energy: 1.656370525327818
Energy: 1.103329322375565
Energy: 1.424402632076493
Energy: 1.423379609532644
Energy: 1.4244026320814784
Energy: 1.078232337580854
Energy: 1.111334775594324
Energy: 1.380622503712291
Energy: 1.1113347755939649
Energy: 1.0741215463768055
Energy: 1.0973629162033602
Energy: 1.32936849278047
Energy: 1.097362916203733
Energy: 1.0747290749832092
Energy: 1.097394294633983
Energy: 1.4085923460357432
Energy: 1.0973942946316766
Energy: 1.1204176523017182
Energy: 1.1760324069759578
Energy: 1.3358270004092514
Energy: 1.1760324069759578
Energy: 1.1210556879990157
Energy: 1.2154343647405659
Energy: 1.284096125932258
Energy: 1.2154343647414219
Energy: 1.2167847833600602
Energy: 1.208450780495921
Energy: 1.2824593744560828
Energy: 1.2084507804960452
Energy: 1.216520906753507
Energy: 1.2068773440335259
Energy: 1.307593516678101
Energy: 1.2068773440335259
Energy: 1.57694525662521
Energy: 1.4019528704254898
Energy: 1.3677206426184882
Energy: 1.4019528704259867
Energy: 1.4813564089942386
Energy: 1.250807718993479
Energy: 1.4815865735021956
Energy: 1.2508077189938518
Energy: 1.401041694691536
Energy: 1.2337804931726097
Energy: 1.4187169016101415
Energy: 1.2337804931717533
Energy: 1.3484974325120074
Energy: 1.2792616509147716
Energy: 1.41930341555046
Energy: 1.2792616509147716
Energy: 1.3479812223184071
Energy: 1.2476406843189358
Energy: 1.1753079100173656
Energy: 1.2476406843186874
Energy: 1.2840329867026612
Energy: 1.187192559075178
Energy: 1.131106450534389
Energy: 1.187192559075178
Energy: 1.2833843168397612
Energy: 1.1747372741862214
Energy: 1.1440979145539443
Energy: 1.1747372741862214
Energy: 1.3937154331776873
Energy: 1.1775594677603825
Energy: 1.2477173750506734
Energy: 1.1775594677603825
Energy: 1.3811214303624204
Energy: 1.0958857219540146
Energy: 1.07424192625905
Energy: 1.0958857219540146
Energy: 1.3757751177563657
Energy: 1.1587581770981814
Energy: 1.0749032550599755
Energy: 1.1587581770927127
Energy: 1.4137049411306466
Energy: 1.101473250415858
Energy: 1.0784256858081
Energy: 1.101473250415609
Energy: 1.4023662454206414
Energy: 1.3540451821843014
Energy: 1.4740043483970093
Energy: 1.3540451821839425
Energy: 1.4893059958766228
Energy: 1.3895998430809637
Energy: 1.473524126350078
Energy: 1.3895998430808394
Energy: 1.4886684232343945
Energy: 1.1767718284304487
Energy: 1.2791295856169407
Energy: 1.176771828430932
Energy: 1.420366550093984
Energy: 1.1425857538389093
Energy: 1.170698594262646
Energy: 1.1425857538395168
Energy: 1.4195590562838922
Energy: 1.0953701492041232
Energy: 1.1478510390089973
Energy: 1.0953701492031427
Energy: 1.338249642973118
Energy: 1.2291919211011386
Energy: 1.2770822707918075
Energy: 1.2291919211007658
Energy: 1.1909642918815753
Energy: 1.2454514929466218
Energy: 1.238941315511857
Energy: 1.2454514929469809
Energy: 1.1924419777840076
Energy: 1.2422939688480146
Energy: 1.1935241685644873
Energy: 1.2422939688484982
Energy: 1.1667787002236225
Energy: 1.3112245282164348
Energy: 1.373368838458552
Energy: 1.3112245282164348
Energy: 1.1480157795077701
Energy: 1.1457831525911537
Energy: 1.3753772793275754
Energy: 1.1457831525914022
Energy: 1.2235671195906639
Energy: 1.1462582359043
Energy: 1.374961436413127
Energy: 1.1462582359043
Energy: 1.2216855010706125
Energy: 1.0958039955961336
Energy: 1.5265753613488688
Energy: 1.0958039955952772
Energy: 1.5274638566872094
Energy: 1.515271396934009
Energy: 1.5213226869422327
Energy: 1.5152713969344922

minimum gb energy = 1.0741215463768055 eV
minimum distance =  2.30063121662003 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.9266013173987024
Energy: 1.1801851611579428
Energy: 1.383356766469611
Energy: 1.5367351187665597
Energy: 1.4546401600007917
Energy: 1.2717039485572543
Energy: 1.2739625978841587
Energy: 1.2717039485575885
Energy: 1.1729529915923218
Energy: 1.1843720093752264
Energy: 1.3765541788147646
Energy: 1.1843720093748922
Energy: 1.1387222341926664
Energy: 1.1888088898110816
Energy: 1.2190819023235107
Energy: 1.18880888981091
Energy: 1.164583548401144
Energy: 1.2079990774367129
Energy: 1.2750065481785606
Energy: 1.2079990774368847
Energy: 1.130018290027581
Energy: 1.1488089913718464
Energy: 1.3566510264306506
Energy: 1.1488089913718464
Energy: 1.1286836875326143
Energy: 1.1867407656436757
Energy: 1.3329651916007843
Energy: 1.1867407656435036
Energy: 1.1783699934840473
Energy: 1.1502149146506846
Energy: 1.3464465332941937
Energy: 1.1502149146511906
Energy: 1.2823368075436048
Energy: 1.1940655579204835
Energy: 1.360336829199493
Energy: 1.1940655579201398
Energy: 1.3387314103635375
Energy: 1.5582263376223688
Energy: 1.5078085197170803
Energy: 1.5582263376213663
Energy: 1.0347674546664174
Energy: 1.0130600927355577
Energy: 1.3933144536333946
Energy: 1.0130600927355577
Energy: 1.035685328367854
Energy: 1.0129686481028588
Energy: 1.3882085902718744
Energy: 1.0129686481028588
Energy: 1.0343267268304428
Energy: 1.0134458283050263
Energy: 1.3884061111153951
Energy: 1.0134458283051981
Energy: 1.0355887487362765
Energy: 1.0126164179955994
Energy: 1.3755796008135324
Energy: 1.0126164179955994
Energy: 1.2189219512916083
Energy: 1.3460324273984487
Energy: 1.314938349344338
Energy: 1.346032427398611
Energy: 1.2187336253047403
Energy: 1.2582061578834514
Energy: 1.275832414259375
Energy: 1.2582061578836232
Energy: 1.3421131817534009
Energy: 1.2562281063624978
Energy: 1.2228674010499996
Energy: 1.2562281063967637
Energy: 1.3168283696455472
Energy: 1.1932675229732954
Energy: 1.1748040807736468
Energy: 1.1932675229738017
Energy: 1.318220292551608
Energy: 1.1676128121820295
Energy: 1.149399686023141
Energy: 1.1676128121822011
Energy: 1.2897681366030873
Energy: 1.1677505138456268
Energy: 1.1938050137120904
Energy: 1.1677505134897148
Energy: 1.2629260636629362
Energy: 1.2628167394774243
Energy: 1.338991886522812
Energy: 1.2628167394774243
Energy: 1.2953192043880617
Energy: 1.266134779391998
Energy: 1.3388073192264192
Energy: 1.2661347793916542
Energy: 1.3890652632766562
Energy: 1.177550677312121
Energy: 1.2957704654116546
Energy: 1.177550677312121
Energy: 1.4755099964539165
Energy: 1.2330499238812034
Energy: 1.2918046370677092
Energy: 1.2330499238825492

minimum gb energy = 1.0126164179955994 eV
minimum distance =  2.2916281466287 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.8205152696970672
Energy: 1.417125835416073
Energy: 1.5363264699261685
Energy: 1.534033221708463
Energy: 1.232820725740145
Energy: 1.2876908832601053
Energy: 1.3790379368738865
Energy: 1.2876908832601053
Energy: 1.061817025419897
Energy: 1.0762927746199753
Energy: 1.3497406254057385
Energy: 1.0762927746199753
Energy: 1.0620735675627466
Energy: 1.07665774446679
Energy: 1.3611868195908454
Energy: 1.07665774446679
Energy: 1.0992858655434585
Energy: 1.0733785923793044
Energy: 1.354267812463824
Energy: 1.0733785923782657
Energy: 1.1739687795123952
Energy: 1.2218715455111357
Energy: 1.1940879812150982
Energy: 1.2218715455111357
Energy: 1.173986578087048
Energy: 1.2113075424620665
Energy: 1.1749157718930883
Energy: 1.2113075424620665
Energy: 1.2583477466337196
Energy: 1.2194816928540728
Energy: 1.1745900493215353
Energy: 1.2194816928540728
Energy: 1.3528575959661626
Energy: 1.0754738807382316
Energy: 1.0807049080541333
Energy: 1.0754738807382316
Energy: 1.3202195773513707
Energy: 1.08956113517885
Energy: 1.0629575883274942
Energy: 1.0895611351778112
Energy: 1.3982154282770456
Energy: 1.0781456155507751
Energy: 1.061192362304069
Energy: 1.0781456155518137
Energy: 1.4023165360553211
Energy: 1.2380852652757561
Energy: 1.5051109162128657
Energy: 1.2380852652757561
Energy: 1.5698439256894243
Energy: 1.4125113088186372
Energy: 1.4539865466867106
Energy: 1.4125113088186372
Energy: 1.3985727255806863
Energy: 1.176729586067411
Energy: 1.2245357040094882
Energy: 1.1767295860684497
Energy: 1.345268304239725
Energy: 1.08883388370025
Energy: 1.1843194665135215
Energy: 1.08883388370025
Energy: 1.4288941157989365
Energy: 1.0585191611035285
Energy: 1.1400450955902828
Energy: 1.0585191611035285
Energy: 1.2370657943557224
Energy: 1.1803227537257892
Energy: 1.2393603280786727
Energy: 1.1803227537257892
Energy: 1.1298121056983037
Energy: 1.205505618621121
Energy: 1.2358735127012506
Energy: 1.2055056186221595
Energy: 1.1306670934006102
Energy: 1.180214579255406
Energy: 1.2410469784554725
Energy: 1.180214579255406
Energy: 1.1914084980671589
Energy: 1.2082347938251106
Energy: 1.3627431041510663
Energy: 1.2082347938251106
Energy: 1.107941089797874
Energy: 1.1303608283908744
Energy: 1.3132511311866795
Energy: 1.1303608283908744
Energy: 1.0911986357741494
Energy: 1.1478605279302012
Energy: 1.3105646885237834
Energy: 1.1478605279302012
Energy: 1.130833177260179
Energy: 1.319402626533807
Energy: 1.2939308543848254
Energy: 1.319402626533807
Energy: 1.426442154754777
Energy: 1.3020242232186927
Energy: 1.3269403094290813
Energy: 1.3020242232186927
Energy: 1.454039097846782
Energy: 1.210576261844353
Energy: 1.4060194909794228
Energy: 1.210576261844353
Energy: 1.3758561368550306
Energy: 1.2141394246898818
Energy: 1.4353088596187247
Energy: 1.214139424688843
Energy: 1.3237251300944435
Energy: 1.3254359060110081
Energy: 1.4268831319344444
Energy: 1.3254359060120466
Energy: 1.2731669811591162
Energy: 1.0900726484303522
Energy: 1.3132634873798315
Energy: 1.0900726484303522
Energy: 1.3130509166488895
Energy: 1.1305957654461973
Energy: 1.1733822496293298
Energy: 1.1305957654461973
Energy: 1.2708947355501166
Energy: 1.1330458488415616
Energy: 1.0911920514457334
Energy: 1.1330458488415616
Energy: 1.3321802557283382
Energy: 1.1321238277618344
Energy: 1.0914970599869003
Energy: 1.1321238277628727
Energy: 1.2727333291287073
Energy: 1.1823373644626827
Energy: 1.1462739488223328
Energy: 1.1823373644626827
Energy: 1.2363505825962244
Energy: 1.2069774098634178
Energy: 1.1343208493147896
Energy: 1.2069774098634178
Energy: 1.2362644397938525
Energy: 1.1972848508311393
Energy: 1.2373654633133802
Energy: 1.1972848508301006
Energy: 1.1669386476934431
Energy: 1.0615497881071825
Energy: 1.2685230012849065
Energy: 1.0615497881071825
Energy: 1.1391599684662241
Energy: 1.1588626902032177
Energy: 1.3969453351838763
Energy: 1.1588626902042565
Energy: 1.2234720721768926
Energy: 1.061147082178022
Energy: 1.4441378202056052
Energy: 1.061147082178022
Energy: 1.4770064860518923
Energy: 1.2923130430269985
Energy: 1.446032258643841
Energy: 1.2923130430269985

minimum gb energy = 1.0585191611035285 eV
minimum distance =  2.32659945369493 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.9082380120737217
Energy: 1.020591630382891
Energy: 1.2562313869907291
Energy: 1.3607650725639773
Energy: 1.3404998642824526
Energy: 1.0825593684233499
Energy: 1.1491354695138731
Energy: 1.0825593684233499
Energy: 1.053419608414377
Energy: 1.0827011475113164
Energy: 1.1852260901637661
Energy: 1.0827011475113164
Energy: 1.0537499213307717
Energy: 1.1106743497656206
Energy: 1.1858484409362458
Energy: 1.1106743497656206
Energy: 1.053029229987735
Energy: 1.1892778939910738
Energy: 1.2758207485947008
Energy: 1.1892778939908035
Energy: 1.1414074950888646
Energy: 1.1367387406476808
Energy: 1.1806403243199963
Energy: 1.1367387406474103
Energy: 1.1337162706899913
Energy: 1.1521403791854539
Energy: 1.134440830027215
Energy: 1.1521403791851836
Energy: 1.1814194686704376
Energy: 1.136487136089978
Energy: 1.1429041064780356
Energy: 1.1364871360902558
Energy: 1.2760897851735038
Energy: 1.0826836881992778
Energy: 1.0516681042348144
Energy: 1.0826836881995483
Energy: 1.3039293754084478
Energy: 1.111156830533192
Energy: 1.0523667834616128
Energy: 1.1111568305334623
Energy: 1.3022271630629951
Energy: 1.0828492694756895
Energy: 1.0517222755105593
Energy: 1.0828492694754195
Energy: 1.2168817580352107
Energy: 1.082167169313172
Energy: 1.409465434173318
Energy: 1.0821671693126238
Energy: 1.3243633463977829
Energy: 1.047741198590241
Energy: 1.396986832074018
Energy: 1.04774119858916
Energy: 1.2403283804153422
Energy: 1.1173109150621419
Energy: 1.0528710516140378
Energy: 1.117310915062412
Energy: 1.3967613069555134
Energy: 1.084634013667738
Energy: 1.0534370016339565
Energy: 1.0846340136674677

minimum gb energy = 1.020591630382891 eV
minimum distance =  2.3061941407151 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.2343613814265697
Energy: 0.9925778296839821
Energy: 1.1846715661278138
Energy: 1.1850994248737732
Energy: 1.2119207571488242
Energy: 1.09286923135805
Energy: 1.0660532064145467
Energy: 1.0928692313577133
Energy: 1.0147762166440748
Energy: 1.0448262224977243
Energy: 1.2071384165478098
Energy: 1.044826222497841
Energy: 1.0194241190575901
Energy: 1.04115500252921
Energy: 1.2043295747750078
Energy: 1.0411550025295466
Energy: 1.1305068792266804
Energy: 1.153028536735229
Energy: 1.11769384721886
Energy: 1.1530285367353454
Energy: 1.1478434022682638
Energy: 1.0786856682965136
Energy: 1.0688989897470187
Energy: 1.0786856682966297
Energy: 1.147423829533914
Energy: 1.0837708314559524
Energy: 1.1597452015743017
Energy: 1.0837708314559524
Energy: 1.1932838079495809
Energy: 1.0787787424621835
Energy: 1.063376983498967
Energy: 1.0787787424621835
Energy: 1.1493839138375663
Energy: 1.0840275004592925
Energy: 1.0669057803167352
Energy: 1.0840275004592925
Energy: 1.147531291012597
Energy: 1.0873902827441442
Energy: 1.0696438377996542
Energy: 1.0873902827440274
Energy: 1.1518128448574512
Energy: 1.1443105756453813
Energy: 1.1177285402638701
Energy: 1.1443105756458345
Energy: 1.0169277589981027
Energy: 1.040570321906346
Energy: 1.1180611702766918
Energy: 1.0405703219059967
Energy: 1.017448902911431
Energy: 1.0406246654781472
Energy: 1.2884391955427557
Energy: 1.0406246654783802
Energy: 1.0151578104908272
Energy: 1.0408120560717025
Energy: 1.2173718957228847
Energy: 1.0408120560721557
Energy: 1.3763565873867858
Energy: 1.012567108273551
Energy: 1.2534139956367556
Energy: 1.0125671083460723
Energy: 1.3771603553783553
Energy: 1.0396642380928045
Energy: 1.0175800183435164
Energy: 1.0396642380953027
Energy: 1.01476330115403
Energy: 1.0409476432138676
Energy: 1.1982906766954042
Energy: 1.0409476432147735
Energy: 1.0164921743359063
Energy: 1.03903131990918
Energy: 1.2041539487110278
Energy: 1.0390313199082613
Energy: 1.066568988457526
Energy: 1.0411015144506615
Energy: 1.2125033197701165
Energy: 1.0411015144506615
Energy: 1.1299616513779385
Energy: 1.0450709953438049
Energy: 1.0146185943876198
Energy: 1.045070995343352
Energy: 1.4018960775047322
Energy: 1.049204090340477
Energy: 1.0195493743567203
Energy: 1.0492040903403606
Energy: 1.117559841288564
Energy: 1.042427011342113
Energy: 1.0622697472567642
Energy: 1.0424270113417635
Energy: 1.1185543367027997
Energy: 1.0782179169358002
Energy: 1.1474386928569518
Energy: 1.0782179169343242
Energy: 1.0676714501275342
Energy: 1.07974037875543
Energy: 1.0882925471781402
Energy: 1.07974037875521
Energy: 1.0620571176181577
Energy: 1.0784086805273925
Energy: 1.1935280871059741
Energy: 1.0784086805276125
Energy: 1.0698307522846995
Energy: 1.0782399216632796
Energy: 1.1928087513044834
Energy: 1.0782399216631633
Energy: 1.0730143541036758
Energy: 1.0875082118437236
Energy: 1.14790145257249
Energy: 1.0875082118437236
Energy: 1.1175422886825648
Energy: 1.0844196835580033
Energy: 1.151311716022488
Energy: 1.0844196835606308
Energy: 1.1174936569388139
Energy: 1.0416204263805895
Energy: 1.066465313530208
Energy: 1.0416204263801365
Energy: 1.1458432961459148
Energy: 1.0451483939664585
Energy: 1.0157816966699185
Energy: 1.045148393966562
Energy: 1.2868757305122043
Energy: 1.0405025722847645
Energy: 1.0147245003427765
Energy: 1.0405025722870425
Energy: 1.0174439198372303
Energy: 1.039735503713841
Energy: 1.3772899797085405
Energy: 1.0397355037140739
Energy: 1.256074389784151
Energy: 1.0124495468379722
Energy: 1.378074198017637
Energy: 1.0124495468386583
Energy: 1.017093884888046
Energy: 1.0601974454046874
Energy: 1.0181973337378698
Energy: 1.0601974454046874
Energy: 1.3679394599427843
Energy: 1.0393086017229503
Energy: 1.0155324582481116
Energy: 1.03930860172273

minimum gb energy = 0.9925778296839821 eV
minimum distance =  2.31805929141035 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.2202654003538829
Energy: 1.0736926719932591
Energy: 1.1248683377679634
Energy: 1.125148892789544
Energy: 0.9882520540688761
Energy: 1.045355769078053
Energy: 1.0222470226829459
Energy: 1.045355769078053
Energy: 0.9743729069178445
Energy: 0.997536599687467
Energy: 1.1796837476656417
Energy: 0.997536599687467
Energy: 0.9735364028240652
Energy: 0.9998576400745816
Energy: 1.180855993293146
Energy: 0.9998576400745816
Energy: 1.0959927488080448
Energy: 1.0797505842307489
Energy: 1.0561485935477055
Energy: 1.0797505842309492
Energy: 1.0681313179352818
Energy: 1.0180765936636873
Energy: 1.009196015242595
Energy: 1.0180765936636873
Energy: 1.0682955169171848
Energy: 1.022520795977154
Energy: 1.0076624601786346
Energy: 1.0225207959763636
Energy: 1.1210184422841893
Energy: 1.0080449189764795
Energy: 1.0297763653053371
Energy: 1.0080449189764795
Energy: 1.0518641498282515
Energy: 0.9968082235704991
Energy: 1.051953140180564
Energy: 0.9968082235697199
Energy: 1.0521108361930178
Energy: 1.0049660334561654
Energy: 1.0517367219949258
Energy: 1.0049660334561654
Energy: 1.1216267350720666
Energy: 1.0923976700370348
Energy: 1.123237650228651
Energy: 1.0923976700374247
Energy: 1.010718352259032
Energy: 1.0228341051724934
Energy: 1.1261549760040115
Energy: 1.0228341051730836
Energy: 1.0127721846235829
Energy: 1.0168288722084304
Energy: 1.1263390662274466
Energy: 1.0168288722082413
Energy: 1.056172577345793
Energy: 1.0779493769938513
Energy: 1.1269347661323974
Energy: 1.077949376993662
Energy: 1.1233880928749154
Energy: 0.9974601096574731
Energy: 1.028033702580341
Energy: 0.9974601096574731
Energy: 1.1938616778848268
Energy: 1.045636233573391
Energy: 0.9736966801921785
Energy: 1.0456362335737812
Energy: 1.0862975854961128
Energy: 1.0797546489465972
Energy: 0.9731408688581878
Energy: 1.0797546489465972
Energy: 1.1256696677197213
Energy: 1.1756028383872297
Energy: 1.3210269255445584
Energy: 1.1756028383872297
Energy: 0.973737161749445
Energy: 0.9974381646291851
Energy: 1.1890686556132462
Energy: 0.9974381646289959
Energy: 0.9732044112327078
Energy: 1.0452741421387848
Energy: 0.9730624799827822
Energy: 1.0452741421385845

minimum gb energy = 0.9730624799827822 eV
minimum distance =  2.30776679239087 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.1811344144009084
Energy: 0.9778821816714603
Energy: 1.061909298112289
Energy: 1.0620196251914846
Energy: 1.087912618837654
Energy: 0.9528501085695621
Energy: 0.9350396073780018
Energy: 0.9528501085697186
Energy: 1.0332882846562221
Energy: 0.9293695639499795
Energy: 1.055720464966464
Energy: 0.9293695639473799
Energy: 0.9417249239864672
Energy: 0.9653185216194455
Energy: 1.039942541039475
Energy: 0.9653185216199064
Energy: 0.9730745398447082
Energy: 1.0203096561731666
Energy: 1.0476204008029457
Energy: 1.0203096561733231
Energy: 1.0406007840263476
Energy: 0.9328581884866356
Energy: 0.9169295257876345
Energy: 0.9328581884863225
Energy: 1.0467536743667278
Energy: 0.9327321082062628
Energy: 0.9177634967213679
Energy: 0.9327321082062628
Energy: 1.004282481435002
Energy: 0.9741389026860188
Energy: 0.9822070193428076
Energy: 0.9741389026864709
Energy: 0.9347112043268286
Energy: 0.9017613174826589
Energy: 1.0212252269071247
Energy: 0.9017613174826589
Energy: 0.9448205651767341
Energy: 0.9017634253713962
Energy: 0.9983163273948692
Energy: 0.9017634253715441
Energy: 0.9422169364949566
Energy: 0.9190445897709146
Energy: 1.0078034542739673
Energy: 0.9190445897721404
Energy: 0.9785374104577268
Energy: 0.8915877355167078
Energy: 0.9619901707447814
Energy: 0.8915877355167078
Energy: 0.980748310268313
Energy: 0.8919267956428091
Energy: 0.9683613892239674
Energy: 0.8919267956429656
Energy: 1.0071349222519754
Energy: 1.0106373967483595
Energy: 0.9430770684428307
Energy: 1.0106373967482118
Energy: 1.0140608565912013
Energy: 0.9027378357739673
Energy: 0.9443042007000174
Energy: 0.9027378357738196
Energy: 1.0140844544021956
Energy: 0.9024287733998743
Energy: 0.9616889829519164
Energy: 0.9024287734000307
Energy: 0.9315802207442981
Energy: 0.9247874405414369
Energy: 0.9649661540479408
Energy: 0.9247874405414369
Energy: 0.9279331816432397
Energy: 0.930137134346736
Energy: 1.0129331711859204
Energy: 0.930137134349492
Energy: 1.0057015140554142
Energy: 0.9326029712072954
Energy: 1.0746001449801352
Energy: 0.9326029712074433
Energy: 1.0483221523184445
Energy: 0.9524914499458108
Energy: 0.9476417573013391
Energy: 0.9524914499458108
Energy: 1.1390162584080894
Energy: 0.9660116183056513
Energy: 0.9431579780685829
Energy: 0.9660116183056513
Energy: 1.047314611541066
Energy: 0.9198151900164538
Energy: 0.9415874318205263
Energy: 0.9198151900162974
Energy: 0.9877521084278731
Energy: 0.8980852995363034
Energy: 1.043268398322655
Energy: 0.8980852995361471
Energy: 1.1092478534911696
Energy: 0.8985210913762001
Energy: 1.1274988013550247
Energy: 0.8985210913769652
Energy: 1.0338315364868067
Energy: 0.9195207869639533
Energy: 1.0336134871364082
Energy: 0.919520782654203
Energy: 1.2157233163016206
Energy: 0.9536415501637409
Energy: 0.9415184277490546
Energy: 0.9536415501638886

minimum gb energy = 0.8915877355167078 eV
minimum distance =  2.32124546855388 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.2207265856625287
Energy: 0.8926713165534895
Energy: 0.99254003453183
Energy: 0.9596570863555516
Energy: 0.9853449471489772
Energy: 0.9494707178291918
Energy: 0.9323377273733064
Energy: 0.949470717829434
Energy: 0.9376911872816234
Energy: 0.8775160956541097
Energy: 0.9404243249457215
Energy: 0.8775160956536108
Energy: 0.9038332355016249
Energy: 0.8859044355540784
Energy: 0.9935740491646209
Energy: 0.8859044355539502
Energy: 0.8857186469405606
Energy: 0.8918185035601495
Energy: 0.9220099492176793
Energy: 0.8918185035600352
Energy: 0.998434944201936
Energy: 0.8596509499144901
Energy: 0.8460657897304029
Energy: 0.859650949914875
Energy: 0.9986086774893432
Energy: 0.8580657192711202
Energy: 0.8512107148287488
Energy: 0.8580657192712484
Energy: 0.9122870915744603
Energy: 0.9284547241878474
Energy: 0.8556951244546969
Energy: 0.9284547241864788
Energy: 0.8532764377765975
Energy: 0.8300169502704583
Energy: 0.956614618084873
Energy: 0.8300169502699594
Energy: 0.8504103315039788
Energy: 0.8311012022198658
Energy: 0.9510124966091935
Energy: 0.8311012022198658
Energy: 0.9035946163197743
Energy: 0.8139263214572234
Energy: 0.9124663842229702
Energy: 0.8139263214570952
Energy: 0.9392555089076635
Energy: 0.8144710078262442
Energy: 0.8717077235975774
Energy: 0.8144710078267431
Energy: 0.919080491975601
Energy: 0.8138967328515044
Energy: 0.8779886912065288
Energy: 0.8138967328517611
Energy: 0.9175014942709243
Energy: 0.808196069193423
Energy: 0.8864586501561065
Energy: 0.8081960691935512
Energy: 0.8967186414877782
Energy: 0.8076330569934121
Energy: 0.8977881343258294
Energy: 0.807633056993783
Energy: 0.8965582969691147
Energy: 0.8088348930994321
Energy: 0.9258480152455539
Energy: 0.8088348930994321
Energy: 0.8609079777054195
Energy: 0.8140420313477953
Energy: 0.9190328384181689
Energy: 0.8140420313477953
Energy: 0.8711904705025358
Energy: 0.813924584668801
Energy: 0.9318675956956279
Energy: 0.8139245846689152
Energy: 0.917452656686694
Energy: 0.8147187211708595
Energy: 0.9408725864618487
Energy: 0.8147187211706172
Energy: 0.9185001869731589
Energy: 0.8300821584587277
Energy: 0.8504015846279952
Energy: 0.8300821584594691
Energy: 0.9839189035680138
Energy: 0.8296752024034532
Energy: 0.8639214028082638
Energy: 0.8296752024033246
Energy: 0.9895877133275808
Energy: 0.8305709850047995
Energy: 0.8854455077661745
Energy: 0.8305709850046713
Energy: 0.8566457883053391
Energy: 0.8590899526242733
Energy: 0.8856348036873737
Energy: 0.8590899526241592
Energy: 0.8466096235869525
Energy: 0.8574398421156358
Energy: 0.9775750411256366
Energy: 0.8574398421158782
Energy: 0.9222860916484006
Energy: 0.8804397964710655
Energy: 0.9423644187957688
Energy: 0.8804397964713222
Energy: 0.9645884225063184
Energy: 0.8773499052496764
Energy: 0.8672402894827713
Energy: 0.8773499052503037
Energy: 1.0091093483816171
Energy: 0.8847478462647809
Energy: 0.86566103875252
Energy: 0.8847478462644103
Energy: 0.9510739455722894
Energy: 0.9488922918692716
Energy: 0.9379869181603306
Energy: 0.9488922918706402
Energy: 0.8595604950177976
Energy: 0.8751877195143472
Energy: 1.054544952530297
Energy: 0.8751877195143472
Energy: 0.9378266384093035
Energy: 0.875551747025315
Energy: 1.0715963217949382
Energy: 0.8755517470493789
Energy: 0.9382320601964066
Energy: 0.8771371056182029
Energy: 0.9378499351293188
Energy: 0.8771371056183312
Energy: 1.0172691893213364
Energy: 0.8854313171130408
Energy: 0.8667988251005763
Energy: 0.8854313171129122

minimum gb energy = 0.8076330569934121 eV
minimum distance =  2.29912078713656 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.0993236017498178
Energy: 0.8275595251236411
Energy: 0.9045845332412772
Energy: 0.904863846980702
Energy: 0.9036077710654854
Energy: 0.8754723417525828
Energy: 0.7986945827509965
Energy: 0.8754723417536455
Energy: 0.8625249377433034
Energy: 0.8125226051506828
Energy: 0.7923579209475508
Energy: 0.8125226051517456
Energy: 0.8408160679017419
Energy: 0.8207152523548502
Energy: 0.9070826441864323
Energy: 0.8207152523548502
Energy: 0.7956224677934722
Energy: 0.8085573132804323
Energy: 0.9030417318406068
Energy: 0.8085573132804323
Energy: 0.8210121893248812
Energy: 0.7968842576879742
Energy: 0.8496262420814831
Energy: 0.7968842576879742
Energy: 0.9185256431798583
Energy: 0.7952381529087135
Energy: 0.7927715359892364
Energy: 0.7952381529087135
Energy: 0.8192403624990021
Energy: 0.8461147956159757
Energy: 0.7916879463085839
Energy: 0.8461147956149129
Energy: 0.7900773170443791
Energy: 0.7713451124771165
Energy: 0.923212868079935
Energy: 0.7713451124781792
Energy: 0.7893059493342668
Energy: 0.7712352127446056
Energy: 0.9239403178437883
Energy: 0.7712352127446056
Energy: 0.7833462742913004
Energy: 0.7782016607058351
Energy: 0.8405358271268519
Energy: 0.7782016607058351
Energy: 0.8860785756634073
Energy: 0.7536709152365979
Energy: 0.8016141618865124
Energy: 0.7536709152365979
Energy: 0.8462441265466253
Energy: 0.7536259756969039
Energy: 0.7864577979586799
Energy: 0.7536259756969039
Energy: 0.8447881566964796
Energy: 0.7435333113554917
Energy: 0.8405664256062928
Energy: 0.7435333113565545
Energy: 0.8183832014119202
Energy: 0.7440936993490441
Energy: 0.8703723819316924
Energy: 0.7440936993490441
Energy: 0.795772146583509
Energy: 0.7448778725099942
Energy: 0.8465521666984179
Energy: 0.7448778725099942
Energy: 0.827203136662237
Energy: 0.7406810267244437
Energy: 0.8449110787617343
Energy: 0.7406810267244437
Energy: 0.8420422400033953
Energy: 0.7412032730142212
Energy: 0.8418659824240075
Energy: 0.7412032730131585
Energy: 0.8570485300774399
Energy: 0.7419861834394533
Energy: 0.8422494482788071
Energy: 0.741986183440516
Energy: 0.8456413605163731
Energy: 0.7439721614139203
Energy: 0.8093388692684419
Energy: 0.7439721614128576
Energy: 0.8700981993969192
Energy: 0.7443879069528757
Energy: 0.8181595510024137
Energy: 0.7443879069528757
Energy: 0.8699120339608163
Energy: 0.7437947975835975
Energy: 0.8486045021171472
Energy: 0.7437947975835975
Energy: 0.7976692258406028
Energy: 0.7543780086747078
Energy: 0.8449756668339651
Energy: 0.754378008673645
Energy: 0.8017478966666894
Energy: 0.7532736617311786
Energy: 0.9106439379718246
Energy: 0.7532736617311786
Energy: 0.8426969843879517
Energy: 0.7528961198408779
Energy: 0.7835383253254247
Energy: 0.7528961198472546
Energy: 0.8423804518468777
Energy: 0.7713309212921141
Energy: 0.788806130177545
Energy: 0.7713309212931769
Energy: 0.9041597423630239
Energy: 0.7714532881811488
Energy: 0.7900939157439535
Energy: 0.7714532881811488
Energy: 0.7910100031716178
Energy: 0.7742591866047654
Energy: 0.8704667151469088
Energy: 0.7742591866068909
Energy: 0.7994346769003632
Energy: 0.7956151650251718
Energy: 0.918634056068816
Energy: 0.7956151650251718
Energy: 0.7839901365025783
Energy: 0.7966316416200119
Energy: 0.9217123687971757
Energy: 0.7966316416200119
Energy: 0.8487881429241921
Energy: 0.9228372048924218
Energy: 0.8057422428545263
Energy: 0.9228372048871081
Energy: 0.91613705218154
Energy: 0.8194691340490743
Energy: 0.8129699113129565
Energy: 0.8194691340480115
Energy: 0.9061528687126532
Energy: 0.8180405821422122
Energy: 0.8673622190604929
Energy: 0.8180405821422122
Energy: 0.8496019871233148
Energy: 0.7979015224450676
Energy: 0.9321930321760754
Energy: 0.7979015224450676
Energy: 0.9049461260132052
Energy: 0.9048869945576482
Energy: 0.9669915735920841
Energy: 0.9048869945576482
Energy: 0.862904348108038
Energy: 0.7992455582490541
Energy: 0.9215280414733532
Energy: 0.7992455582490541
Energy: 0.966676358405731
Energy: 0.8015378035285842
Energy: 0.8670124578891704
Energy: 0.8015378035338979

minimum gb energy = 0.7406810267244437 eV
minimum distance =  2.33979923933166 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.0533227802795315
Energy: 0.7391824822147711
Energy: 0.827267943117997
Energy: 0.8272108249310627
Energy: 0.8083127806707857
Energy: 0.785240373894068
Energy: 0.7286190293686824
Energy: 0.7852403738937852
Energy: 0.7759651499069433
Energy: 0.7027679264270633
Energy: 0.7796737433851225
Energy: 0.7027679264247589
Energy: 0.736010591322585
Energy: 0.734918996549433
Energy: 0.8161413283267753
Energy: 0.7349189965526591
Energy: 0.7206596996824479
Energy: 0.7314428568041693
Energy: 0.7666380803231905
Energy: 0.7314428568042636
Energy: 0.7907958666110294
Energy: 0.7119335178709607
Energy: 0.7052734796744695
Energy: 0.7119335178707826
Energy: 0.8179201945839346
Energy: 0.7122386368228966
Energy: 0.7205637302086796
Energy: 0.7122386368231689
Energy: 0.7384066718007238
Energy: 0.773744102581393
Energy: 0.7227224285421396
Energy: 0.7737441025778945
Energy: 0.7350009660936809
Energy: 0.6949283376005501
Energy: 0.8358295835169464
Energy: 0.6949283376005501
Energy: 0.7218688376544394
Energy: 0.6947598878206879
Energy: 0.7928393717386766
Energy: 0.6947598878209602
Energy: 0.7233965010815506
Energy: 0.6850248053635888
Energy: 0.760218529287838
Energy: 0.6850248053636832
Energy: 0.8401920840183704
Energy: 0.6842855378070851
Energy: 0.7298179848471184
Energy: 0.6842855378071688
Energy: 0.7678567720817826
Energy: 0.6852676376539821
Energy: 0.7255192713355042
Energy: 0.6852676376537098
Energy: 0.7668087737933084
Energy: 0.6801152125143213
Energy: 0.7249303844769224
Energy: 0.6801152125143213
Energy: 0.7466501454462144
Energy: 0.6788350083969296
Energy: 0.8170212950942728
Energy: 0.6788350083971182
Energy: 0.7334915799828291
Energy: 0.6794474003317772
Energy: 0.7725182594140019
Energy: 0.6794474003319657
Energy: 0.7840681644609815
Energy: 0.6767669610926127
Energy: 0.7730393646198394
Energy: 0.6767669610928956
Energy: 0.8080147644176691
Energy: 0.6793888106682431
Energy: 0.766426202359142
Energy: 0.6793888106685153
Energy: 0.7753261931046936
Energy: 0.6771743076664085
Energy: 0.7451738355252966
Energy: 0.6771743076663143
Energy: 0.7749277379354085
Energy: 0.6768617538216005
Energy: 0.774057315140807
Energy: 0.6768617538217786
Energy: 0.7877575822720329
Energy: 0.675933652144877
Energy: 0.7875865129183688
Energy: 0.6759336521449714
Energy: 0.7467539416428773
Energy: 0.6764616926770237
Energy: 0.7753956316135789
Energy: 0.6764616926772961
Energy: 0.7573517561836227
Energy: 0.6766776711936968
Energy: 0.7757299730613413
Energy: 0.6766776711936027
Energy: 0.7664239627691215
Energy: 0.6767876872560783
Energy: 0.8079822568726095
Energy: 0.6767876872562565
Energy: 0.7730201009414717
Energy: 0.6767757509146907
Energy: 0.7328686962750631
Energy: 0.676775750914324
Energy: 0.7713125737502761
Energy: 0.6794077670397044
Energy: 0.7417429341538584
Energy: 0.6794077670397987
Energy: 0.8302660165458583
Energy: 0.6794869511416601
Energy: 0.7468599986558331
Energy: 0.6794869511388949
Energy: 0.7247561867083268
Energy: 0.7249720692367144
Energy: 0.7678124850833531
Energy: 0.7249720692369973
Energy: 0.7307052537071747
Energy: 0.6854606883994782
Energy: 0.8371348805030757
Energy: 0.6854606883992895
Energy: 0.7661028127237042
Energy: 0.6849370820417662
Energy: 0.8370685088676886
Energy: 0.6849370820417662
Energy: 0.763281494463213
Energy: 0.70788740624713
Energy: 0.7187022323433672
Energy: 0.7078874062468575
Energy: 0.833993250341663
Energy: 0.6951076336191575
Energy: 0.7214409246234329
Energy: 0.6951076336196184
Energy: 0.8315542835177445
Energy: 0.6964694717009008
Energy: 0.7396764115582145
Energy: 0.696469471700995
Energy: 0.7211212232752934
Energy: 0.7146627947113652
Energy: 0.738745825356674
Energy: 0.7146627947112708
Energy: 0.7440640045400775
Energy: 0.7113268247171124
Energy: 0.8349371465740061
Energy: 0.7113268247169239
Energy: 0.7663498042720707
Energy: 0.7110727220190185
Energy: 0.7707142564726697
Energy: 0.7110727220189244
Energy: 0.7280770914395717
Energy: 0.725512445565929
Energy: 0.7393266339068233
Energy: 0.7255124455663898
Energy: 0.7551043933495531
Energy: 0.7653861640728707
Energy: 0.7214116579805689
Energy: 0.7653861640728707
Energy: 0.7666934761843961
Energy: 0.7076634183088886
Energy: 0.7759645539961824
Energy: 0.7076634183094334
Energy: 0.7619851379022803
Energy: 0.7144087631947575
Energy: 0.8317834068872091
Energy: 0.7144087631903268
Energy: 0.7238270972831838
Energy: 0.7350400606484601
Energy: 0.8130449230277295
Energy: 0.7350400606480935
Energy: 0.7760948904667341
Energy: 0.7845499624346447
Energy: 0.7529738691090107
Energy: 0.7845499624335345
Energy: 0.8056568044622238
Energy: 0.7359768786355728
Energy: 0.7211898042987536
Energy: 0.7359768786367669

minimum gb energy = 0.675933652144877 eV
minimum distance =  2.29883917397274 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.005358238838037479
Energy: 0.005530359791401906
Energy: 0.8616933816408994
Energy: 0.07963380007496769
Energy: 0.005446713328355132
Energy: 0.07943426128253209
Energy: 0.07907730596308288
Energy: 0.07943426128253209
Energy: 0.07910876598891355
Energy: 0.07954743368434615
Energy: 0.00570879550672435
Energy: 0.07954743368434615
Energy: 0.07903119958909298
Energy: 0.07939292419295663
Energy: 0.005472807703926585
Energy: 0.07939292419295663
Energy: 0.07910418005138278
Energy: 0.07937998093512838
Energy: 0.07952569330484324
Energy: 0.07937998093512838
Energy: 0.005647278375838503
Energy: 0.07960222972674312
Energy: 0.07904537053535707
Energy: 0.07960222972674312

minimum gb energy = 0.005358238838037479 eV
minimum distance =  2.45042431905588 Angstroms
sigma value = 1