Model name: model_name=EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973
cohesive_energy=4.450349963542659
mass=58.6934
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=[2.1312153585467998e-19, 2.97921540739032e-19, 3.61765075250664e-19, 4.1338400204487597e-19, 4.5656426450781e-19, 4.93417531443078e-19, 5.25268802926998e-19, 5.53024910934414e-19, 5.773315326488279e-19, 5.98678934120244e-19, 6.174436268576519e-19, 6.33922013538342e-19, 6.483592271873159e-19, 6.609555398838239e-19, 6.718775779978019e-19, 6.812647308964079e-19, 6.892435705337279e-19, 6.95915034037704e-19, 7.01372047653108e-19, 7.0569472021164e-19, 7.089567518384639e-19, 7.112190252456719e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125071752594079e-19, 7.11017150989788e-19, 7.08319085538132e-19, 7.04195082882216e-19, 6.983903969372339e-19, 6.905974097894579e-19, 6.804492229897019e-19, 6.67494022727178e-19, 6.5118867112296e-19, 6.308666626973039e-19, 6.057028764837e-19, 5.746719194363879e-19, 5.364888458949e-19, 4.895290487523599e-19, 4.3171290273783596e-19, 3.60351955459476e-19, 2.71927827029016e-19, 1.61770172558346e-19, 2.35773109106172e-20, -1.5130571609103838e-19, -3.7501347383721e-19, -6.649577771155559e-19, -1.0468477930658939e-18, -1.559843922976452e-18, -2.2657341087374398e-18, -3.2666619172962597e-18, -4.743356077321379e-18, -6.96948437966634e-18, -4.1112172863766795e-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: 0.01810199733909867
Energy: 0.018401578924901983
Energy: 0.9483956772428356
Energy: 0.155234802470987
Energy: 0.0184015789242772
Energy: 1.2727601908694004
Energy: 0.1552348024716118
Energy: 1.2727601908694004
Energy: 0.9483956772422109
Energy: 0.1552348024716118
Energy: 0.01810199733909867
Energy: 0.0184015789242772
Energy: 0.1552348024716118
Energy: 1.272760190868739
Energy: 0.0184015789242772
Energy: 1.2727601908694004

minimum gb energy = 0.01810199733909867 eV
minimum distance =  2.48110585789333 Angstroms
sigma value = 1


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

Energy: 1.7900924396588391
Energy: 1.156616715152392
Energy: 1.2322109820550302
Energy: 1.2287728322586886
Energy: 1.2123747182087747
Energy: 1.2802424561946268
Energy: 1.1840867864427007
Energy: 1.2802424561954293
Energy: 1.2307354770000405
Energy: 1.2289251242934287
Energy: 1.1824111711004224
Energy: 1.2289251242934287
Energy: 1.1880503207263298
Energy: 1.3419073657457947
Energy: 1.184019010245095
Energy: 1.3419073657473992
Energy: 1.6675262691032164
Energy: 1.1822920718967194
Energy: 1.181922433931026
Energy: 1.1822920718967194
Energy: 1.2643442596384211
Energy: 1.2586795590494346
Energy: 1.1828092742386995
Energy: 1.2586795590478301
Energy: 1.2561083407966849
Energy: 1.312591000239582
Energy: 1.254325842377096
Energy: 1.312591000239582
Energy: 1.2546177831894851
Energy: 1.312422891202145
Energy: 1.2975435838389728
Energy: 1.3124228912005402
Energy: 1.2802716724275993
Energy: 1.4086773110864512
Energy: 1.2804590611125788
Energy: 1.4086773110872532
Energy: 1.2957999115480676
Energy: 1.3707225679307609
Energy: 1.2810303198505915
Energy: 1.3707225679307609
Energy: 1.276602593581768
Energy: 1.4083929149739511
Energy: 1.2807431951373984
Energy: 1.4083929149739511
Energy: 1.2554839905799382
Energy: 1.4062262438036257
Energy: 1.2973377634191703
Energy: 1.4062262438036257
Energy: 1.279378667067161
Energy: 1.3125066513091894
Energy: 1.2112558085906755
Energy: 1.3125066513099917
Energy: 1.2642392962449698
Energy: 1.312012152198142
Energy: 1.2565845758161542
Energy: 1.3120121521997468
Energy: 1.2119212155211718
Energy: 1.1819995883819454
Energy: 1.1821247947067721
Energy: 1.1819995883811432
Energy: 1.2258919210085457
Energy: 1.182392068121758
Energy: 1.183587688705367
Energy: 1.1823920681225601
Energy: 1.2314055881652897
Energy: 1.2283290941455227
Energy: 1.1543938462401364
Energy: 1.2283290941455227
Energy: 1.1839958862764133
Energy: 1.1875692310134345
Energy: 1.2131565788420968
Energy: 1.1875692310126322
Energy: 1.1827128955571327
Energy: 1.2288538871862609
Energy: 1.2307506158060193
Energy: 1.2288538871854586
Energy: 1.2641176904697697
Energy: 1.1866553705418914
Energy: 1.1864395841047433
Energy: 1.186655370541089
Energy: 1.1827345872237924
Energy: 1.1818845398429043
Energy: 1.2623860385225145
Energy: 1.1818845398429043
Energy: 1.183343610792461
Energy: 1.183287242461272
Energy: 1.2649697922597443
Energy: 1.1832872424596674
Energy: 1.2538802720327549
Energy: 1.3120008303135906
Energy: 1.253487499884262
Energy: 1.3120008303127884
Energy: 1.2980576210645016
Energy: 1.3121732094235812
Energy: 1.2560596245580014
Energy: 1.3121732094227787
Energy: 1.2802239538172404
Energy: 1.4061545729610045
Energy: 1.2799677211699398
Energy: 1.4061545729618068
Energy: 1.2825962967077562
Energy: 1.4049662169250645
Energy: 1.2983211365283769
Energy: 1.4049662169258665
Energy: 1.2806390773333034
Energy: 1.4055416565789516
Energy: 1.2762533479342615
Energy: 1.4055416565805563
Energy: 1.2986776380345901
Energy: 1.4102470464400656
Energy: 1.2868155735808415
Energy: 1.4102470464392634
Energy: 1.2107377434617115
Energy: 1.3124082964338555
Energy: 1.280183250162633
Energy: 1.3124082964330532
Energy: 1.2566936819934436
Energy: 1.3123237122846687
Energy: 1.264214922999116
Energy: 1.3123237122846687
Energy: 1.1813097359359845
Energy: 1.1816447418896265
Energy: 1.212073698564874
Energy: 1.1816447418864173
Energy: 1.1828231118358377
Energy: 1.1821124863993544
Energy: 1.2275131865755566
Energy: 1.1821124864001569
Energy: 1.1534923440236853
Energy: 1.228215365614251
Energy: 1.2329726175094982
Energy: 1.2282153656126464

minimum gb energy = 1.1534923440236853 eV
minimum distance =  2.20184052158053 Angstroms
sigma value = 1


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

Energy: 2.021470454930764
Energy: 1.2105004739964325
Energy: 1.2927183716275383
Energy: 1.291537635923455
Energy: 1.2809140594450386
Energy: 1.3437636471962
Energy: 1.242294333737435
Energy: 1.343763647192541
Energy: 1.2916352499358807
Energy: 1.2920846810294957
Energy: 1.2429142196225609
Energy: 1.2920846810249222
Energy: 1.2486857394904378
Energy: 1.413806977335085
Energy: 1.2422893099921475
Energy: 1.4138069773341702
Energy: 1.242725946831318
Energy: 1.2422887339526942
Energy: 1.2426516599495145
Energy: 1.2422887339490354
Energy: 1.339521695629833
Energy: 1.2433748431044718
Energy: 1.2416472389306121
Energy: 1.2433748431053864
Energy: 1.330738586720002
Energy: 1.3947429530599074
Energy: 1.3277049951707398
Energy: 1.3947429530599074
Energy: 1.3293887001724336
Energy: 1.3968962840781596
Energy: 1.3722783365927798
Energy: 1.3968962840826917
Energy: 1.3278881290447626
Energy: 1.4875827091802132
Energy: 1.3466526333197055
Energy: 1.4875827091838307
Energy: 1.374091141501982
Energy: 1.455680997891497
Energy: 1.3286566585983777
Energy: 1.455680997891497
Energy: 1.279534732762941
Energy: 1.394911520407455
Energy: 1.3652875856642417
Energy: 1.394911520414773
Energy: 1.3290163069876153
Energy: 1.3952527140500088
Energy: 1.3396559419496306
Energy: 1.3952527140490942
Energy: 1.2429835176919133
Energy: 1.241988133312934
Energy: 1.2800778240173267
Energy: 1.2419881333120188
Energy: 1.2430975291235433
Energy: 1.2423538478545928
Energy: 1.2896417550477182
Energy: 1.2423538478509335
Energy: 1.2060389475318762
Energy: 1.2912193576526827
Energy: 1.295243463269442
Energy: 1.2912193576526827
Energy: 1.2805694990017875
Energy: 1.2487077911885038
Energy: 1.2425697314467081
Energy: 1.2487077911875892
Energy: 1.2915734413512623
Energy: 1.2925158773604655
Energy: 1.260998105148908
Energy: 1.2925158773622953
Energy: 1.2478364786405145
Energy: 1.2486896615867344
Energy: 1.3388716983522986
Energy: 1.2486896615839902
Energy: 1.2427256796436146
Energy: 1.242531720310712
Energy: 1.2438137144382755
Energy: 1.2425317203088826
Energy: 1.3394831498176425
Energy: 1.2430231969714463
Energy: 1.2432869480221431
Energy: 1.2430231969705314
Energy: 1.3277837589435293
Energy: 1.394823819499451
Energy: 1.326457970597027
Energy: 1.394823819498536
Energy: 1.3294329423262403
Energy: 1.3950770650924855
Energy: 1.3732673890713312
Energy: 1.3950770650998032
Energy: 1.3280987343273953
Energy: 1.4884308500549013
Energy: 1.345791423280358
Energy: 1.4884308500603898
Energy: 1.3734473415422177
Energy: 1.4892349355466787
Energy: 1.3596512201660422
Energy: 1.4892349355439345
Energy: 1.2796370121296252
Energy: 1.395261451837472
Energy: 1.3666985889467527
Energy: 1.3952614518438755
Energy: 1.3290779432306516
Energy: 1.395527741257714
Energy: 1.340079945673458
Energy: 1.395527741249481
Energy: 1.241685222136954
Energy: 1.2415280524283547
Energy: 1.2822695287137529
Energy: 1.2415280524310988
Energy: 1.2428691110366012
Energy: 1.2423029375511325
Energy: 1.289955179174435
Energy: 1.2423029375529622
Energy: 1.2052036064460963
Energy: 1.291683729669485
Energy: 1.2976537875562093
Energy: 1.2916837296740589

minimum gb energy = 1.2052036064460963 eV
minimum distance =  2.20307495535586 Angstroms
sigma value = 25


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

Energy: 2.0482716290261096
Energy: 1.3204127913932786
Energy: 1.375357540178603
Energy: 1.3735249516406978
Energy: 1.3423855214001033
Energy: 1.4272542984862122
Energy: 1.3565762723843082
Energy: 1.4272542984862122
Energy: 1.3777342333743878
Energy: 1.3767959311544193
Energy: 1.29272444940864
Energy: 1.3767959311491025
Energy: 1.3362497277311294
Energy: 1.427442563931778
Energy: 1.329220198662232
Energy: 1.427442563931778
Energy: 1.2911873432618453
Energy: 1.3288185789751732
Energy: 1.3290817962169117
Energy: 1.3288185789741096
Energy: 1.4460301887978
Energy: 1.3294967984734685
Energy: 1.3278567756185873
Energy: 1.329496798475595
Energy: 1.4054049688032868
Energy: 1.5102379316414167
Energy: 1.4246495962016812
Energy: 1.5102379316446068
Energy: 1.40933590114952
Energy: 1.5145647065794918
Energy: 1.481679011010533
Energy: 1.514564706580555
Energy: 1.4097029168058701
Energy: 1.5384483841048826
Energy: 1.343399563391492
Energy: 1.5384483841016927
Energy: 1.442465960601894
Energy: 1.5405817090302503
Energy: 1.3697774384470032
Energy: 1.5405817090281233
Energy: 1.314573941743464
Energy: 1.3886469841124587
Energy: 1.3876428585552616
Energy: 1.388646984110332
Energy: 1.2979066949712448
Energy: 1.3699316840310982
Energy: 1.3889735715604352
Energy: 1.3699316840300348
Energy: 1.2731205154073553
Energy: 1.273044289130832
Energy: 1.2597876028397235
Energy: 1.2730442891318956
Energy: 1.2731189371674536
Energy: 1.25787481057133
Energy: 1.3621638085365824
Energy: 1.2578748105723934
Energy: 1.292257646632463
Energy: 1.4354270572396903
Energy: 1.4389237817353902
Energy: 1.4354270572375634
Energy: 1.4549845536220936
Energy: 1.3702702603196728
Energy: 1.3699217378514965
Energy: 1.370270260317546
Energy: 1.333041736772037
Energy: 1.3408848155996498
Energy: 1.2909554222088129
Energy: 1.3408848155985864
Energy: 1.3330037436710127
Energy: 1.3411748514998487
Energy: 1.426904422205571
Energy: 1.3411748515030388
Energy: 1.4247998346054453
Energy: 1.4910509984972153
Energy: 1.4331284088516374
Energy: 1.4910509984972153
Energy: 1.4801536488339755
Energy: 1.4916014160328215
Energy: 1.4208558498112949
Energy: 1.4916014160349482
Energy: 1.3429077803612592
Energy: 1.5128850238542146
Energy: 1.4259077563066989
Energy: 1.5128850238531513
Energy: 1.3445445995145873
Energy: 1.5188017616785865
Energy: 1.4467523260323187
Energy: 1.5188017616807132
Energy: 1.3261484796275842
Energy: 1.326193535789923
Energy: 1.3149692778603372
Energy: 1.3261935357867332
Energy: 1.327208652486197
Energy: 1.3262578302720576
Energy: 1.3153312730090638
Energy: 1.3262578302720576
Energy: 1.3164129479297908
Energy: 1.373507260304961
Energy: 1.3756044144667812
Energy: 1.3735072603060243

minimum gb energy = 1.25787481057133 eV
minimum distance =  2.19412596532892 Angstroms
sigma value = 9


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

Energy: 1.802600970363959
Energy: 1.328056385531884
Energy: 1.4369143260244959
Energy: 1.4365221060608373
Energy: 1.5126864728219573
Energy: 1.4802378000251843
Energy: 1.3928992549517782
Energy: 1.4802378000277214
Energy: 1.4364407764020817
Energy: 1.437224304512446
Energy: 1.442433750525535
Energy: 1.437224304512446
Energy: 1.403107480872984
Energy: 1.4811075197110057
Energy: 1.3928034651963277
Energy: 1.4811075197110057
Energy: 1.4382423738207302
Energy: 1.3918296071744338
Energy: 1.3948910194073327
Energy: 1.3918296071706282
Energy: 1.545659436678211
Energy: 1.3932622213585968
Energy: 1.392065427644786
Energy: 1.3932622213598653
Energy: 1.470285855190648
Energy: 1.5837533925309542
Energy: 1.4400424002399879
Energy: 1.5837533925334624
Energy: 1.3939277663685783
Energy: 1.5857288889636196
Energy: 1.5450998588064175
Energy: 1.5857288889648882
Energy: 1.3916203790079813
Energy: 1.3923920365645293
Energy: 1.3118092087210604
Energy: 1.3923920365607236
Energy: 1.3925840340493294
Energy: 1.392594931563506
Energy: 1.3119691634565698
Energy: 1.3925949315609976
Energy: 1.312324089140896
Energy: 1.4368128284699329
Energy: 1.4368134698248538
Energy: 1.4368128284699329
Energy: 1.469261500791236
Energy: 1.4021399268513912
Energy: 1.4382708506617237
Energy: 1.4021399268513912
Energy: 1.439507317066468
Energy: 1.4363936029592432
Energy: 1.4343140466905118
Energy: 1.4363936029617803
Energy: 1.4405151845518886
Energy: 1.4028771559497755
Energy: 1.5720184296613502
Energy: 1.402877155951044
Energy: 1.4383395730158701
Energy: 1.3917116437668906
Energy: 1.391936532210144
Energy: 1.3917116437656223
Energy: 1.5450249948675285
Energy: 1.3921775330189015
Energy: 1.39180218236646
Energy: 1.3921775330163642
Energy: 1.4693293137592291
Energy: 1.5844258197233299
Energy: 1.4400934097285547
Energy: 1.5844258197233299
Energy: 1.46973584845935
Energy: 1.5822137364713598
Energy: 1.5482973185198672
Energy: 1.5822137364700917
Energy: 1.3904425606620154
Energy: 1.3925949699779776
Energy: 1.3121453432827277
Energy: 1.392594969976709
Energy: 1.3925389621491848
Energy: 1.3919296075545449
Energy: 1.3117791174513427
Energy: 1.3919296075545449
Energy: 1.3122407377696557
Energy: 1.4412270502168874
Energy: 1.4413112903597076
Energy: 1.4412270502130822

minimum gb energy = 1.3117791174513427 eV
minimum distance =  2.20985171184658 Angstroms
sigma value = 25


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

Energy: 1.6198653734487116
Energy: 1.3891498562582796
Energy: 1.52339900781336
Energy: 1.522282353513692
Energy: 1.53307847109199
Energy: 1.499317893269068
Energy: 1.5229661907610703
Energy: 1.499317893269068
Energy: 1.5230075846509303
Energy: 1.5234798848903603
Energy: 1.519273765879576
Energy: 1.5234798848903603
Energy: 1.527326425773531
Energy: 1.4986587155467048
Energy: 1.4173914000831023
Energy: 1.4986587155482733
Energy: 1.4928169567751899
Energy: 1.4966692394716492
Energy: 1.4972299405401457
Energy: 1.4966692394716492
Energy: 1.3780495422785917
Energy: 1.498541365275797
Energy: 1.4174292128007295
Energy: 1.498541365274228
Energy: 1.6106486331949097
Energy: 1.4982072067995347
Energy: 1.4945179014598051
Energy: 1.4982072068011036
Energy: 1.369354371984232
Energy: 1.593551163154125
Energy: 1.4182349499965774
Energy: 1.593551163154125
Energy: 1.5233338143730355
Energy: 1.5233959028565147
Energy: 1.6739691001041972
Energy: 1.5233959028580837
Energy: 1.5241943550579509
Energy: 1.5235219384827772
Energy: 1.675702235330702
Energy: 1.5235219384827772
Energy: 1.5205870744612515
Energy: 1.5225750729939334
Energy: 1.5272179245730653
Energy: 1.5225750729939334
Energy: 1.5256401604929242
Energy: 1.5266481225264252
Energy: 1.525478947009231
Energy: 1.5266481225264252
Energy: 1.4190688343074862
Energy: 1.5949153390867652
Energy: 1.4928871545785898
Energy: 1.5949153390867652
Energy: 1.497621292671152
Energy: 1.5002167884269493
Energy: 1.377493298078598
Energy: 1.5002167884269493
Energy: 1.4960100426295344
Energy: 1.4993267064709457
Energy: 1.6071803645223213
Energy: 1.4993267064709457
Energy: 1.4174069074364852
Energy: 1.5964480150986016
Energy: 1.6083660324431348
Energy: 1.5964480151001705
Energy: 1.6731287382329194
Energy: 1.5268656411667796
Energy: 1.5255673783455268
Energy: 1.5268656411652106

minimum gb energy = 1.369354371984232 eV
minimum distance =  2.21890502400947 Angstroms
sigma value = 17


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

Energy: 2.1262019078584844
Energy: 1.578051081062615
Energy: 1.6560496104546487
Energy: 1.6559606627544772
Energy: 1.5178854233488546
Energy: 1.515796065284816
Energy: 1.6816414024972994
Energy: 1.5157960652865927
Energy: 1.4938213668233251
Energy: 1.4926260153003745
Energy: 1.6552000949170325
Energy: 1.492626015299486
Energy: 1.4925345294034793
Energy: 1.4920512697830712
Energy: 1.5135233483089157
Energy: 1.4920512697839599
Energy: 1.5824735201325313
Energy: 1.6408646692543398
Energy: 1.5589860574403533
Energy: 1.6408646692534512
Energy: 1.491925480711472
Energy: 1.643291804223021
Energy: 1.5794276235986722
Energy: 1.6432918042239095
Energy: 1.5618179442212536
Energy: 1.4915456405648682
Energy: 1.4951350902851759
Energy: 1.4915456405657566
Energy: 1.741672690840037
Energy: 1.4911801196212533
Energy: 1.4913527933069108
Energy: 1.4911801196221417
Energy: 1.6617562496130138
Energy: 1.6553285891876055
Energy: 1.6555981819163539
Energy: 1.6553285891902714
Energy: 1.658136734105884
Energy: 1.658975145685781
Energy: 1.6743741572884798
Energy: 1.658975145684004
Energy: 1.5784361391401227
Energy: 1.4889536739021112
Energy: 1.4893151930668518
Energy: 1.4889536739012228
Energy: 1.7007004183536791
Energy: 1.4892996209824818
Energy: 1.488916283674565
Energy: 1.4892996209824818
Energy: 1.5640448360327364
Energy: 1.4884584811141448
Energy: 1.4879995451794106
Energy: 1.4884584811141448
Energy: 1.5630607442337636
Energy: 1.5127366930392594
Energy: 1.4517074075184389
Energy: 1.5127366930410364
Energy: 1.6636557399874283
Energy: 1.6559453754155762
Energy: 1.7444058876810917
Energy: 1.655945375414688
Energy: 1.653819275797586
Energy: 1.654318588915804
Energy: 1.7406241687060724
Energy: 1.6543185889166927
Energy: 1.6582263092475251
Energy: 1.4919335675553518
Energy: 1.4919033243357291
Energy: 1.4919335675562404
Energy: 1.6582830469999792
Energy: 1.491933454918589
Energy: 1.489966715553009
Energy: 1.4919334549177008
Energy: 1.4918351320689929
Energy: 1.6417166177195315
Energy: 1.5815471422138616
Energy: 1.6417166177186429
Energy: 1.553673847416188
Energy: 1.643516536510384
Energy: 1.580745379395099
Energy: 1.6435165365112725
Energy: 1.492013194860461
Energy: 1.4918455951606946
Energy: 1.8366067054142332
Energy: 1.4918455951606946
Energy: 1.492636225085101
Energy: 1.494009664798041
Energy: 1.5634095822929992
Energy: 1.4940096647971526
Energy: 1.653912388254805
Energy: 1.6599619727802435
Energy: 1.6535433113661877
Energy: 1.6599619727802435
Energy: 1.6561896312094264
Energy: 1.6549605167196848
Energy: 1.6532549582790237
Energy: 1.6549605167179078
Energy: 1.4533369092410107
Energy: 1.4876347843627695
Energy: 1.663149536443587
Energy: 1.4876347843654352
Energy: 1.4886448952011597
Energy: 1.4892246774967954
Energy: 1.5792307317415506
Energy: 1.4892246774967954
Energy: 1.4520052389114364
Energy: 1.5722724830703323
Energy: 1.607724550617963
Energy: 1.5722724830703323
Energy: 1.4901608255670276
Energy: 1.4893654233585227
Energy: 1.5661249467975484
Energy: 1.4893654233567457
Energy: 1.4920729307010654
Energy: 1.516045992624565
Energy: 1.56442121195556
Energy: 1.516045992624565
Energy: 1.7397973849809298
Energy: 1.6543422963951642
Energy: 1.653989994525052
Energy: 1.6543422963951642

minimum gb energy = 1.4517074075184389 eV
minimum distance =  2.19264491186879 Angstroms
sigma value = 53


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

Energy: 1.9315702988131094
Energy: 1.3977568839859773
Energy: 1.578984051749917
Energy: 1.5780008872110531
Energy: 1.7477562563023692
Energy: 1.5662814003706713
Energy: 1.5644564535773984
Energy: 1.5662814003706713
Energy: 1.5649835112933757
Energy: 1.5660289056794343
Energy: 1.6082673122933333
Energy: 1.5660289056794343
Energy: 1.5666293810750802
Energy: 1.4823968415218998
Energy: 1.5629143895868707
Energy: 1.4823968415218998
Energy: 1.5877152153481762
Energy: 1.4819942380822877
Energy: 1.3686432921783196
Energy: 1.481994238080242
Energy: 1.5640949194280245
Energy: 1.4828788856831723
Energy: 1.3689329410566091
Energy: 1.4828788856811266
Energy: 1.7461708712758641
Energy: 1.5640824673429319
Energy: 1.564326157718196
Energy: 1.5640824673408864
Energy: 1.7455687977477985
Energy: 1.5623661037315766
Energy: 1.562266030034537
Energy: 1.5623661037315766
Energy: 1.5642875721270588
Energy: 1.5660444966757907
Energy: 1.6104506268705954
Energy: 1.5660444966757907
Energy: 1.5626555684354695
Energy: 1.5640703538932657
Energy: 1.5647777127778253
Energy: 1.5640703538932657
Energy: 1.59028152604633
Energy: 1.483635073008295
Energy: 1.3691448238236341
Energy: 1.4836350730062493
Energy: 1.5660847599912886
Energy: 1.4817908860367914
Energy: 1.3685954037424575
Energy: 1.4817908860388367
Energy: 1.7461558387787577
Energy: 1.5635211792409212
Energy: 1.5610720496154857
Energy: 1.5635211792429666

minimum gb energy = 1.3685954037424575 eV
minimum distance =  2.22451983697465 Angstroms
sigma value = 9


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

Energy: 1.8853705422625766
Energy: 1.6435271422621431
Energy: 1.7442605701165776
Energy: 1.7402428199132234
Energy: 1.4867659079891429
Energy: 1.478110592723299
Energy: 1.7358278414112842
Energy: 1.478110592724056
Energy: 1.4792396633042204
Energy: 1.4794386989882493
Energy: 1.7529124689182598
Energy: 1.4794386989890063
Energy: 1.4788912240511705
Energy: 1.4797288328608975
Energy: 1.812794406369626
Energy: 1.4797288328608975
Energy: 1.4821757397327802
Energy: 1.4776433376519298
Energy: 1.8034489771828017
Energy: 1.4776433376519298
Energy: 1.513288691370684
Energy: 1.4782737746101016
Energy: 1.8022222818728535
Energy: 1.4782737746093448
Energy: 1.7342684191955702
Energy: 1.7120403720452069
Energy: 1.739984041471979
Energy: 1.712040372043693
Energy: 1.735490576321083
Energy: 1.7103024678355039
Energy: 1.711375954787193
Energy: 1.7103024678362608
Energy: 1.5653995525563278
Energy: 1.6526675103601547
Energy: 1.5621777315580225
Energy: 1.6526675103609116
Energy: 1.4673779786674708
Energy: 1.5644397345308954
Energy: 1.715039907297922
Energy: 1.5644397345308954
Energy: 1.5525793586109842
Energy: 1.5523090074997703
Energy: 1.6212923246582456
Energy: 1.5523090074990131
Energy: 1.5544797704581748
Energy: 1.5786844860095728
Energy: 1.8452609294250817
Energy: 1.5786844860103295
Energy: 1.7366993002826938
Energy: 1.5537337480077118
Energy: 1.5559603632819974
Energy: 1.5537337480047524
Energy: 1.7360158906531185
Energy: 1.5541140317641187
Energy: 1.5549387800765928
Energy: 1.554114031765633
Energy: 1.7124516951848732
Energy: 1.5660198090119493
Energy: 1.571382392951514
Energy: 1.5660198090111919
Energy: 1.6558463778740662
Energy: 1.6440856609904628
Energy: 1.5686382128598404
Energy: 1.6440856609904628
Energy: 1.7116064282669698
Energy: 1.6465580462081442
Energy: 1.608770573068213
Energy: 1.646558046208901
Energy: 1.7112534266402026
Energy: 1.7142986137440164
Energy: 1.8384011933809974
Energy: 1.7142986137462877
Energy: 1.735724311996149
Energy: 1.7110704175075542
Energy: 1.4903477299591859
Energy: 1.7110704175052829
Energy: 1.7569876161708269
Energy: 1.4798216657465184
Energy: 1.479432973046601
Energy: 1.4798216657480325
Energy: 1.7360569428288883
Energy: 1.4790170082276504
Energy: 1.4796273656483159
Energy: 1.4790170082268932
Energy: 1.8032917945637357
Energy: 1.477406538262251
Energy: 1.4789706323903768
Energy: 1.4774065382637651
Energy: 1.8034607419314466
Energy: 1.478319670664899
Energy: 1.4798887705706634
Energy: 1.478319670664142
Energy: 1.7428135510991662
Energy: 1.711685346990176
Energy: 1.7342566219760813
Energy: 1.711685346989419
Energy: 1.712803541721899
Energy: 1.7105078646010374
Energy: 1.7345744689259828
Energy: 1.7105078645995235
Energy: 1.5645920784701122
Energy: 1.7190965453325007
Energy: 1.5557876845222836
Energy: 1.7190965453332578
Energy: 1.7133210360010362
Energy: 1.5648380704682556
Energy: 1.4666385196338376
Energy: 1.5648380704682556
Energy: 1.6225479539786667
Energy: 1.553369010458819
Energy: 1.554395896228395
Energy: 1.553369010460333
Energy: 1.8405781387898674
Energy: 1.5580688737630821
Energy: 1.553960577706152
Energy: 1.5580688737600537
Energy: 1.5557477747763693
Energy: 1.5526728455544392
Energy: 1.7349459994015177
Energy: 1.5526728455551964
Energy: 1.5539811624578814
Energy: 1.5542957985309094
Energy: 1.7518037075843815
Energy: 1.554295798531666
Energy: 1.5536333247463139
Energy: 1.5675272069525177
Energy: 1.672816574192669
Energy: 1.5675272069540318
Energy: 1.5659030794039102
Energy: 1.6434375791053337
Energy: 1.6568161740040264
Energy: 1.6434375791068476
Energy: 1.554057662320998
Energy: 1.6420222079223041
Energy: 1.6204617065147484
Energy: 1.6420222079223041
Energy: 1.8477738876913223
Energy: 1.7129517971123336
Energy: 1.710651805325929
Energy: 1.7129517971130905

minimum gb energy = 1.4666385196338376 eV
minimum distance =  2.21951301048009 Angstroms
sigma value = 73


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

Energy: 1.7957583797553902
Energy: 1.5342389218375123
Energy: 1.634967584464599
Energy: 1.6345644024593953
Energy: 1.493005852059701
Energy: 1.7589123024549684
Energy: 1.6754482252891645
Energy: 1.7589123024538218
Energy: 1.4829316976656488
Energy: 1.4850558923994266
Energy: 1.623507364827946
Energy: 1.4850558924006276
Energy: 1.4834282544428796
Energy: 1.4837835432054058
Energy: 1.6753671123181635
Energy: 1.4837835432054058
Energy: 1.4837397002750041
Energy: 1.4826872705550243
Energy: 1.7639723200761146
Energy: 1.4826872705538232
Energy: 1.5189785235789885
Energy: 1.4832017102588704
Energy: 1.763252549380365
Energy: 1.4832017102588704
Energy: 1.672362355934038
Energy: 1.6370331783589318
Energy: 1.6758142898832065
Energy: 1.6370331783589318
Energy: 1.6707875072684513
Energy: 1.6339996859332189
Energy: 1.6342321688436805
Energy: 1.6339996859332189
Energy: 1.636444992643444
Energy: 1.6434990727041539
Energy: 1.6372004406087952
Energy: 1.6434990727065564
Energy: 1.4636715096034398
Energy: 1.597685466774602
Energy: 1.635878805948725
Energy: 1.597685466774602
Energy: 1.6333831594304118
Energy: 1.6344002069380903
Energy: 1.4939322759592353
Energy: 1.6344002069380903
Energy: 1.6770733578186763
Energy: 1.675930797335337
Energy: 1.778641450098578
Energy: 1.675930797335337
Energy: 1.6425919925697854
Energy: 1.4824678740126978
Energy: 1.519264276411537
Energy: 1.4824678740126978
Energy: 1.623772737798639
Energy: 1.483643941911258
Energy: 1.4825976729260462
Energy: 1.483643941912459
Energy: 1.7734132023729152
Energy: 1.4831724361784167
Energy: 1.484741181543399
Energy: 1.4831724361784167
Energy: 1.7633588067433374
Energy: 1.4843603469971893
Energy: 1.4845153171225842
Energy: 1.4843603469971893
Energy: 1.764281848490006
Energy: 1.7579832736842116
Energy: 1.5190350266803052
Energy: 1.757983273685413
Energy: 1.6743303306581365
Energy: 1.6753945998909978
Energy: 1.671936164811708
Energy: 1.6753945998897968
Energy: 1.635508751445682
Energy: 1.6358713064195545
Energy: 1.6701831918859111
Energy: 1.6358713064171524
Energy: 1.6406110702642447
Energy: 1.5965313527519758
Energy: 1.648238105063921
Energy: 1.596531352750775
Energy: 1.6351915978157734
Energy: 1.596414072899865
Energy: 1.4656740164467628
Energy: 1.596414072899865
Energy: 1.7757460255175084
Energy: 1.635324942742914
Energy: 1.634952400515574
Energy: 1.635324942742914

minimum gb energy = 1.4636715096034398 eV
minimum distance =  2.21543649427293 Angstroms
sigma value = 7


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

Energy: 1.9220600918496478
Energy: 1.5777767918169578
Energy: 1.645428620002375
Energy: 1.6436971327567025
Energy: 1.4899846649734478
Energy: 1.6342617206086965
Energy: 1.7694997061783868
Energy: 1.6342617206036005
Energy: 1.4959472274775876
Energy: 1.4950389259830166
Energy: 1.6093160275133886
Energy: 1.4950389259872634
Energy: 1.4954111894521924
Energy: 1.4947033403406045
Energy: 1.7655029398061823
Energy: 1.4947033403423031
Energy: 1.521796603243368
Energy: 1.5192327185723564
Energy: 1.7239024425709923
Energy: 1.5192327185774526
Energy: 1.521944441455007
Energy: 1.5191993039699612
Energy: 1.7264547395220522
Energy: 1.519199303969112
Energy: 1.7759214689478493
Energy: 1.5199217534422977
Energy: 1.5191097418564299
Energy: 1.5199217534380511
Energy: 1.7768830376767537
Energy: 1.5193321159273838
Energy: 1.5172056505647074
Energy: 1.5193321159231372
Energy: 1.7731365824270164
Energy: 1.493004291365262
Energy: 1.4942761899496144
Energy: 1.4930042913678099
Energy: 1.7279959352315803
Energy: 1.699404186278659
Energy: 1.5351134535185795
Energy: 1.6994041862736404
Energy: 1.7677205052023985
Energy: 1.6442742550460474
Energy: 1.5182097203578517
Energy: 1.6442742550468965
Energy: 1.6468995739294723
Energy: 1.6464978028875195
Energy: 1.774581020955635
Energy: 1.6464978028900674
Energy: 1.6478562222543847
Energy: 1.6190149823176199
Energy: 1.533807745840216
Energy: 1.6190149823150721
Energy: 1.6146683778614201
Energy: 1.5866874600712124
Energy: 1.4938803079798568
Energy: 1.5866874600669658
Energy: 1.6455991522723068
Energy: 1.6177684939842119
Energy: 1.5338114808195378
Energy: 1.617768493976568
Energy: 1.5443491919177486
Energy: 1.6456260919469032
Energy: 1.6432665232732988
Energy: 1.645626091944355
Energy: 1.5451184516952445
Energy: 1.6435270503520247
Energy: 1.674170154833859
Energy: 1.643527050350326
Energy: 1.535967304561856
Energy: 1.705786302844039
Energy: 1.6099543558573173
Energy: 1.7057863028448883
Energy: 1.4918456902542088
Energy: 1.49439192444763
Energy: 1.7690969639183967
Energy: 1.4943919244408355
Energy: 1.5186768866674378
Energy: 1.51790477396625
Energy: 1.553101844305464
Energy: 1.517904773963702
Energy: 1.5224917646236198
Energy: 1.5198683644006001
Energy: 1.7213702700890343
Energy: 1.5198683643963533
Energy: 1.7758456226878934
Energy: 1.5193470881128368
Energy: 1.523673664987201
Energy: 1.519347088110289
Energy: 1.7748384284692234
Energy: 1.5198411716235227
Energy: 1.5206858068708562
Energy: 1.5198411716218243
Energy: 1.7665045036372997
Energy: 1.494684285481118
Energy: 1.4948618944170184
Energy: 1.4946842854768714
Energy: 1.726303495466622
Energy: 1.495328306073009
Energy: 1.4954851274607839
Energy: 1.495328306073858
Energy: 1.7388806437056918
Energy: 1.7053720151639318
Energy: 1.5335221955900091
Energy: 1.705372015164781
Energy: 1.646439452804321
Energy: 1.6427038924176889
Energy: 2.015114645244726
Energy: 1.642703892423634
Energy: 1.644828707768442
Energy: 1.6472482376443305
Energy: 1.5336834953957272
Energy: 1.6472482376544453
Energy: 1.609979683248246
Energy: 1.5888481453576295
Energy: 1.6298971849849773
Energy: 1.5888481453601775
Energy: 1.6448908770617916
Energy: 1.6157412157128912
Energy: 1.4980881290510002
Energy: 1.6157412157137403
Energy: 1.5442426772957258
Energy: 1.6446591988165709
Energy: 1.6430365183869147
Energy: 1.6446591988208175

minimum gb energy = 1.4899846649734478 eV
minimum distance =  2.20554801777248 Angstroms
sigma value = 29


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

Energy: 1.3749432890430306
Energy: 1.3770254204555894
Energy: 1.5073659989746828
Energy: 1.5741571575131679
Energy: 1.4899639860890848
Energy: 1.611299523870293
Energy: 1.506814142078403
Energy: 1.6112995238697012
Energy: 1.5072162858774805
Energy: 1.570200010181377
Energy: 1.434911638138579
Energy: 1.5702000101805222
Energy: 1.4898916742021135
Energy: 1.4126854274612057
Energy: 1.5052338217512817
Energy: 1.4126854274617973
Energy: 1.4503330060352508
Energy: 1.4493135471028153
Energy: 1.3811174133143587
Energy: 1.449313547104558
Energy: 1.5047454920599306
Energy: 1.5717278670934816
Energy: 1.381345559325359
Energy: 1.5717278670937773
Energy: 1.4342449038422551
Energy: 1.570098651960727
Energy: 1.5055984204967954
Energy: 1.5700986519618776
Energy: 1.507173075763069
Energy: 1.4476581652623761
Energy: 1.4912549133978736
Energy: 1.4476581652618175
Energy: 1.4892029167443883
Energy: 1.4463158759718584
Energy: 1.447572008784782
Energy: 1.4463158759721542

minimum gb energy = 1.3749432890430306 eV
minimum distance =  2.22900371649935 Angstroms
sigma value = 5


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

Energy: 1.9511089847315475
Energy: 1.3841938200434594
Energy: 1.6425613345858185
Energy: 1.3930932153877649
Energy: 1.7148469697381208
Energy: 1.3941618415603643
Energy: 1.6067250437691876
Energy: 1.3941618415587596
Energy: 1.6046834079791605
Energy: 1.5020044344855858
Energy: 1.6006556903931082
Energy: 1.5020044344887948
Energy: 1.5046511173768444
Energy: 1.3914661055877786
Energy: 1.5907731022837714
Energy: 1.3914661055901854
Energy: 1.6027147837535947
Energy: 1.4104749533396148
Energy: 1.5091422490074378
Energy: 1.4104749533388123
Energy: 1.4089667323893722
Energy: 1.4188137349992407
Energy: 1.5109836183245287
Energy: 1.4188137349984384
Energy: 1.393048177247542
Energy: 1.3909625158278311
Energy: 1.75454926199895
Energy: 1.390962515830238
Energy: 1.400328786057461
Energy: 1.3955711725888633
Energy: 1.6970118557844245
Energy: 1.395571172580111
Energy: 1.6970451684255075
Energy: 1.469136597100625
Energy: 1.7071938797315085
Energy: 1.4691365971014274
Energy: 1.7112914125922456
Energy: 1.3833865914126844
Energy: 1.3810199005441308
Energy: 1.38338659141108
Energy: 1.6941906068240193
Energy: 1.3826263581499487
Energy: 1.3924042963110337
Energy: 1.3826263581491467
Energy: 1.6987303424698639
Energy: 1.4016073077207412
Energy: 1.404033866048584
Energy: 1.401607307723148
Energy: 1.6926888694389413
Energy: 1.3819715049887222
Energy: 1.6077223951982529
Energy: 1.381971504991129
Energy: 1.717615165563925
Energy: 1.601415236980291
Energy: 1.6909105898424035
Energy: 1.6014152369810932
Energy: 1.4705020619924254
Energy: 1.3660143907547868
Energy: 1.693218585433884
Energy: 1.3660143907571938
Energy: 1.486921793352191
Energy: 1.3667505605969295
Energy: 1.6766027164463735
Energy: 1.3667505605913133
Energy: 1.4804262899828513
Energy: 1.3680166442846267
Energy: 1.3996486035262692
Energy: 1.3680166442870332
Energy: 1.6850265339869852
Energy: 1.3887120580537653
Energy: 1.6786544005258885
Energy: 1.38871205805537
Energy: 1.6829435899810343
Energy: 1.4767016973964597
Energy: 1.4020573706498105
Energy: 1.4767016973948552
Energy: 1.6829855085426495
Energy: 1.397962199937755
Energy: 1.5026374989875666
Energy: 1.3979621999361505
Energy: 1.5092938173189219
Energy: 1.398027495276502
Energy: 1.5169041827434302
Energy: 1.3980274952829201
Energy: 1.5075013688774908
Energy: 1.4297033763076124
Energy: 1.4164542628036965
Energy: 1.4297033763027986
Energy: 1.7084584322211254
Energy: 1.39705659082491
Energy: 1.4016081849552433
Energy: 1.3970565908281192
Energy: 1.695849203941424
Energy: 1.3999384383427427
Energy: 1.3991082491101718
Energy: 1.3999384383395337
Energy: 1.6994998193932096
Energy: 1.374914581357279
Energy: 1.6806273258076276
Energy: 1.3749145813596853
Energy: 1.380466241256567
Energy: 1.3821094747816858
Energy: 1.71137180725373
Energy: 1.3821094747760698
Energy: 1.394048210235744
Energy: 1.387792028779547
Energy: 1.6514961760176696
Energy: 1.3877920287867676
Energy: 1.3927453260982476
Energy: 1.3937315643768946
Energy: 1.516494290004605
Energy: 1.3937315643793016
Energy: 1.4968339207709898
Energy: 1.3761611694090543
Energy: 1.6944482461528212
Energy: 1.376161169405845
Energy: 1.6914385042926516
Energy: 1.4675185395849104
Energy: 1.7052564667895944
Energy: 1.4675185395833057
Energy: 1.6910822450519039
Energy: 1.3927189413421952
Energy: 1.39590269902817
Energy: 1.3927189413405905
Energy: 1.7320877698522152
Energy: 1.392243284881703
Energy: 1.396468765328556
Energy: 1.3922432848768893
Energy: 1.3974738004437077
Energy: 1.4338465291291562
Energy: 1.4326732117559378
Energy: 1.433846529125947

minimum gb energy = 1.3660143907547868 eV
minimum distance =  2.1765440515616 Angstroms
sigma value = 1


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

Energy: 1.9199530572735153
Energy: 1.3258565806545262
Energy: 1.3363824095019123
Energy: 1.332334353890074
Energy: 1.7414279254374454
Energy: 1.333416884359748
Energy: 1.5899857805598416
Energy: 1.3334168843553105
Energy: 1.5892927792369338
Energy: 1.4697179960837232
Energy: 1.607361826282456
Energy: 1.469717996082614
Energy: 1.343434693021744
Energy: 1.3289973017313532
Energy: 1.5930087643798758
Energy: 1.3289973017302439
Energy: 1.5695597634438112
Energy: 1.3430604353166367
Energy: 1.5988438678530412
Energy: 1.3430604353177462
Energy: 1.3294704941065683
Energy: 1.3430933000225698
Energy: 1.599810191999329
Energy: 1.3430933000181324
Energy: 1.3410171640933148
Energy: 1.326954053895019
Energy: 1.7651186221501072
Energy: 1.326954053895019
Energy: 1.3432303281937286
Energy: 1.3302303371225608
Energy: 1.792614056726898
Energy: 1.3302303371192328
Energy: 1.593306922449709
Energy: 1.441993349111358
Energy: 1.7912753261093177
Energy: 1.4419933491124672
Energy: 1.602382958365107
Energy: 1.3419460876533946
Energy: 1.3341378733046925
Energy: 1.3419460876511762
Energy: 1.7661346650434882
Energy: 1.3280080651255641
Energy: 1.3292448717161318
Energy: 1.3280080651233455
Energy: 1.8379941682754053
Energy: 1.3443729373701974
Energy: 1.3307524670826159
Energy: 1.3443729373668696
Energy: 1.83684974332201
Energy: 1.3292024072462054
Energy: 1.331780326768106
Energy: 1.3292024072495334
Energy: 1.7646062126899558
Energy: 1.3289373381876428
Energy: 1.6055918426590328
Energy: 1.3289373381898613
Energy: 1.342542021360002
Energy: 1.4687873386821038
Energy: 1.606192163515334
Energy: 1.468787338678776
Energy: 1.3423256176572251
Energy: 1.3306393537725918
Energy: 1.7659989828216374
Energy: 1.330639353769264
Energy: 1.3292047283126804
Energy: 1.3321390618000042
Energy: 1.596555849503742
Energy: 1.3321390618011135
Energy: 1.3521089446470622
Energy: 1.3421790316189572
Energy: 1.5842227444529526
Energy: 1.3421790316178477
Energy: 1.3410813907991965
Energy: 1.3329524964025
Energy: 1.795908066264082
Energy: 1.3329524964013906
Energy: 1.344372862602155
Energy: 1.4225123571736293
Energy: 1.794785251272903
Energy: 1.42251235717252
Energy: 1.5996679192696344
Energy: 1.4216579790481323
Energy: 1.7657153226049627
Energy: 1.4216579790459134
Energy: 1.5966998709085987
Energy: 1.3315758822028845
Energy: 1.3310201094970737
Energy: 1.3315758822039936
Energy: 1.7650768790676015
Energy: 1.3282245897328138
Energy: 1.3290047964613958
Energy: 1.3282245897394696
Energy: 1.8368016866987398
Energy: 1.3293769219528637
Energy: 1.328633580873613
Energy: 1.329376921946208

minimum gb energy = 1.3258565806545262 eV
minimum distance =  2.19857717353247 Angstroms
sigma value = 17


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

Energy: 2.0346822768131343
Energy: 1.3034416675312885
Energy: 1.609020650405262
Energy: 1.3140592367349073
Energy: 1.3164125537832192
Energy: 1.307775980454627
Energy: 1.495001818035316
Energy: 1.3077759804518843
Energy: 1.6672890620673855
Energy: 1.304632600703385
Energy: 1.4863766452456955
Energy: 1.3046326007026996
Energy: 1.6480822045601078
Energy: 1.387412331567127
Energy: 1.517074504051175
Energy: 1.387412331568498
Energy: 1.6488071100797486
Energy: 1.293483947785161
Energy: 1.78438996625955
Energy: 1.293483947785161
Energy: 1.2945157158947955
Energy: 1.292533125205691
Energy: 1.7866323643133382
Energy: 1.2925331252036343
Energy: 1.2950397374251286
Energy: 1.2937957436963419
Energy: 1.3787804774257044
Energy: 1.29379574369977
Energy: 1.299206507706842
Energy: 1.2952725810056704
Energy: 1.9296536556072954
Energy: 1.295272581006356
Energy: 1.7391649619700253
Energy: 1.2956001616651334
Energy: 1.6535730922062313
Energy: 1.2956001616678758
Energy: 1.4906151195913229
Energy: 1.3919789188695486
Energy: 1.474542762535619
Energy: 1.3919789188689253
Energy: 1.735461779114323
Energy: 1.3051456796887317
Energy: 1.3142927004075164
Energy: 1.3051456796873602
Energy: 1.7831186522799833
Energy: 1.315206602444293
Energy: 1.5125138700915703
Energy: 1.3152066024463498
Energy: 1.7907832725262494
Energy: 1.3600280043547905
Energy: 1.306477940309164
Energy: 1.3600280043541049
Energy: 1.6252471426054917
Energy: 1.3058485865859324
Energy: 1.3090638211372418
Energy: 1.3058485865852467
Energy: 1.6438357741876064
Energy: 1.3083065379889
Energy: 1.3139207063849896
Energy: 1.3083065379875287
Energy: 1.8803225616187307
Energy: 1.3067340344967682
Energy: 1.6279574991652883
Energy: 1.3067340344933398
Energy: 1.3568799467326382
Energy: 1.515722460449763
Energy: 1.7932309842853364
Energy: 1.5157224604483914
Energy: 1.3043298163514356
Energy: 1.3081695194969845
Energy: 1.7655629477398673
Energy: 1.3081695194962988
Energy: 1.376819491427923
Energy: 1.3112560019850383
Energy: 1.6533259322681841
Energy: 1.3112560019864095
Energy: 1.5143137733546956
Energy: 1.3077831193265146
Energy: 1.9137182300877398
Energy: 1.3077831193251435
Energy: 1.4874934528913675
Energy: 1.30699275408555
Energy: 1.5200956526383451
Energy: 1.3069927540862354
Energy: 1.484751194639521
Energy: 1.3056996203787818
Energy: 1.6460716538801243
Energy: 1.3056996203780964
Energy: 1.4761534016936986
Energy: 1.3838156288085384
Energy: 1.6450944852157092
Energy: 1.3838156288078527
Energy: 1.7846603650895654
Energy: 1.2950667689345596
Energy: 1.4660864281650243
Energy: 1.2950667689345596
Energy: 1.7661170623492437
Energy: 1.3146156458158476
Energy: 1.29225780916152
Energy: 1.3146156458165332
Energy: 1.381364413717546
Energy: 1.2940479583569033
Energy: 1.2956090282451254
Energy: 1.2940479583569033
Energy: 1.9133059233371281
Energy: 1.2972287944368117
Energy: 1.2945398081819945
Energy: 1.297228794438183
Energy: 1.8442643097656857
Energy: 1.293900409860285
Energy: 1.7402705292034164
Energy: 1.2939004098589137
Energy: 1.474291378928454
Energy: 1.3873108741073645
Energy: 1.4844984221687265
Energy: 1.3873108741046218
Energy: 1.3162351115473503
Energy: 1.304819485263919
Energy: 1.7356012070777171
Energy: 1.3048194852625477
Energy: 1.5117555394017137
Energy: 1.3575653142371067
Energy: 1.7852446184629946
Energy: 1.3575653142371067
Energy: 1.3622891593421194
Energy: 1.358460221049424
Energy: 1.7867353071450953
Energy: 1.3584602210507954
Energy: 1.3060586235345015
Energy: 1.305663044045169
Energy: 1.6275868009934007
Energy: 1.3056630440465402
Energy: 1.3193770054225302
Energy: 1.3093867938556532
Energy: 1.6462775744316829
Energy: 1.3093867938549675
Energy: 1.6201867551691833
Energy: 1.3057379701575547
Energy: 1.8786301342874048
Energy: 1.3057379701554979
Energy: 1.8510966128631035
Energy: 1.3125497213093307
Energy: 1.367012272199419
Energy: 1.3125497213079595
Energy: 1.6205021479018396
Energy: 1.3059894679156916
Energy: 1.315575630115516
Energy: 1.305989467913635
Energy: 1.6509401500317935
Energy: 1.334949579285615
Energy: 1.3566643601242994
Energy: 1.3349495792849293

minimum gb energy = 1.29225780916152 eV
minimum distance =  2.19631410334207 Angstroms
sigma value = 89


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

Energy: 2.1427117941816474
Energy: 1.2419522849839377
Energy: 1.1953688153614577
Energy: 1.1953134623614412
Energy: 1.9357501312799013
Energy: 1.321767284870552
Energy: 1.5690051655653994
Energy: 1.321767284870552
Energy: 1.180951956037874
Energy: 1.3227717372240462
Energy: 1.5801792140296225
Energy: 1.3227717372240462
Energy: 1.1813565750375734
Energy: 1.3250365508615358
Energy: 1.1941416993472744
Energy: 1.3250365508615358
Energy: 1.1915761427822675
Energy: 1.1927969094000515
Energy: 1.5706979938748842
Energy: 1.1927969093982576
Energy: 1.2547028737632744
Energy: 1.1934272840508422
Energy: 1.5704652658831846
Energy: 1.1934272840508422
Energy: 1.1928786351305622
Energy: 1.1899827502199185
Energy: 1.568326051568627
Energy: 1.1899827502199185
Energy: 1.194365988306623
Energy: 1.1959315684897325
Energy: 1.9356577340363077
Energy: 1.1959315684897325
Energy: 1.5670144021281087
Energy: 1.1905466496879866
Energy: 1.9366298079477051
Energy: 1.1905466496879866
Energy: 1.5837448297192867
Energy: 1.3252574492316591
Energy: 1.2249509042819384
Energy: 1.3252574492316591
Energy: 1.5665488927509446
Energy: 1.3253393846012431
Energy: 1.1784769671045188
Energy: 1.3253393846012431
Energy: 1.5710826897453007
Energy: 1.1935954101519082
Energy: 1.1942928837580002
Energy: 1.193595410153702
Energy: 1.5719748454748472
Energy: 1.1941655909095832
Energy: 1.1918472092087427
Energy: 1.194165590911377
Energy: 1.2233713142964904
Energy: 1.1891547629061734
Energy: 1.1889126549764404
Energy: 1.1891547629061734
Energy: 1.936624956053442
Energy: 1.193017145350903
Energy: 1.193587773460811
Energy: 1.193017145350903

minimum gb energy = 1.1784769671045188 eV
minimum distance =  2.22345744656852 Angstroms
sigma value = 13


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

Energy: 1.9058565610938785
Energy: 1.1483993132551709
Energy: 1.1306958863641896
Energy: 1.1322145362060467
Energy: 1.8106671105201784
Energy: 1.1286266559368758
Energy: 1.3467119063652557
Energy: 1.1286266559443952
Energy: 1.8083076515352743
Energy: 1.1273433122752399
Energy: 1.322332125884869
Energy: 1.1273433122880225
Energy: 1.505447423225419
Energy: 1.132461786471198
Energy: 1.3463009759062972
Energy: 1.1324617864749578
Energy: 1.5588385118674395
Energy: 1.129826248543977
Energy: 1.66057462975124
Energy: 1.1298262485469848
Energy: 1.3226908553811343
Energy: 1.1289993137326573
Energy: 1.658599742248264
Energy: 1.1289993137349132
Energy: 1.3219703918151575
Energy: 1.1282271478582258
Energy: 1.6750570850458373
Energy: 1.1282271478695045
Energy: 1.307430672236424
Energy: 1.1315669607097083
Energy: 1.9302996424935235
Energy: 1.1315669607006853
Energy: 1.1573927548955276
Energy: 1.1321279492345153
Energy: 1.9325666554462277
Energy: 1.1321279492337635
Energy: 1.1258152329846958
Energy: 1.127642885434671
Energy: 1.935379711612374
Energy: 1.1276428854399343
Energy: 1.1553802188485505
Energy: 1.1382971477467507
Energy: 1.9067676521418924
Energy: 1.1382971477407353
Energy: 1.6402771355859556
Energy: 1.2064782862703933
Energy: 1.6816016267404454
Energy: 1.2064782862703933
Energy: 1.659477438944468
Energy: 1.2045865678444676
Energy: 1.661137584752512
Energy: 1.2045865678504832
Energy: 1.6493119805112963
Energy: 1.207954070845972
Energy: 1.5059916819226753
Energy: 1.2079540708452199
Energy: 1.94140438524778
Energy: 1.13095254939793
Energy: 1.533923270169033
Energy: 1.1309525494114645
Energy: 1.9382337051225356
Energy: 1.1288589880589825
Energy: 1.132809420920541
Energy: 1.1288589880529671
Energy: 1.668771202522924
Energy: 1.1279693568659515
Energy: 1.1287865203159713
Energy: 1.127969356863696
Energy: 1.8209762987756142
Energy: 1.1306201565091432
Energy: 1.1368194231446682
Energy: 1.1306201565031277
Energy: 2.05742547840645
Energy: 1.1314487147845942
Energy: 1.3506805338484635
Energy: 1.1314487147876018
Energy: 1.6825866931081723
Energy: 1.1264497217810323
Energy: 1.32115961200906
Energy: 1.126449721782536
Energy: 1.5051816117513321
Energy: 1.135611442355419
Energy: 1.3465523422780956
Energy: 1.1356114423614345
Energy: 1.681817977784687
Energy: 1.127295905523453
Energy: 1.6586255766044442
Energy: 1.1272959055151819
Energy: 1.3289664171135875
Energy: 1.1306799763430515
Energy: 1.6609152783938215
Energy: 1.1306799763370363
Energy: 1.131898387947384
Energy: 1.126466738895748
Energy: 1.676729101827969
Energy: 1.126466738906275
Energy: 1.3400984098837596
Energy: 1.1582103442782332
Energy: 1.9409484130431975
Energy: 1.1582103442714662
Energy: 1.1597889078086696
Energy: 1.1571804555212666
Energy: 1.9362818182255785
Energy: 1.1571804555190108
Energy: 1.127557463419259
Energy: 1.126671701583414
Energy: 1.679128150570116
Energy: 1.1266717015789025
Energy: 1.127329770186268
Energy: 1.1341003920133448
Energy: 1.8196658281316254
Energy: 1.1341003920035697
Energy: 1.6394529919495886
Energy: 1.1280337962678535
Energy: 2.0592105088222517
Energy: 1.1280337962686053
Energy: 1.3183918452098868
Energy: 1.2094089987064958
Energy: 1.6613284765831624
Energy: 1.2094089987072474
Energy: 1.6452800170611157
Energy: 1.211293714848581
Energy: 1.506878135292864
Energy: 1.2112937148440697
Energy: 1.9372136642167133
Energy: 1.1306465212583392
Energy: 1.6412641818098532
Energy: 1.130646521261347
Energy: 1.9425099815240778
Energy: 1.131676938065674
Energy: 1.159943219143827
Energy: 1.1316769380731935
Energy: 1.7709940315671522
Energy: 1.126820252355899
Energy: 1.1284198056805668
Energy: 1.1268202523446202
Energy: 2.0521446716675067
Energy: 1.1296139600075144
Energy: 1.1340550218498573
Energy: 1.1296139600030028

minimum gb energy = 1.1258152329846958 eV
minimum distance =  2.21451134528282 Angstroms
sigma value = 37


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

Energy: 1.6753860030662253
Energy: 1.0939562621835939
Energy: 1.0313247012034048
Energy: 1.0279283526120742
Energy: 2.079220051206334
Energy: 1.0283461852373108
Energy: 1.334221891661305
Energy: 1.0283461852386044
Energy: 1.6381414806280596
Energy: 1.026368798457552
Energy: 1.3396955038990657
Energy: 1.026368798457552
Energy: 1.6369538485219233
Energy: 1.166800841947565
Energy: 1.335436717049742
Energy: 1.1668008419462714
Energy: 1.6680847437585062
Energy: 1.1657568982305964
Energy: 1.3347055803734822
Energy: 1.1657568982305964
Energy: 1.3422496607836116
Energy: 1.027104057090369
Energy: 1.566696505144693
Energy: 1.0271040570890753
Energy: 1.0211523611510416
Energy: 1.0261670558584517
Energy: 1.6676684645976723
Energy: 1.0261670558584517
Energy: 1.0430256576690358
Energy: 1.0272535471337796
Energy: 1.8583366572051279
Energy: 1.0272535471337796
Energy: 1.0280208975450624
Energy: 1.0271214531179038
Energy: 1.85736809299407
Energy: 1.0271214531191974
Energy: 1.0252177863443097
Energy: 1.0287310813125243
Energy: 1.8654790427869612
Energy: 1.0287310813125243
Energy: 1.0313247011361641
Energy: 1.0279283529340475
Energy: 1.675386003067519
Energy: 1.0939562621848877
Energy: 1.334221891660011
Energy: 1.0283461852386044
Energy: 2.079220051207628
Energy: 1.0283461852386044
Energy: 1.3396955038990657
Energy: 1.026368798457552
Energy: 1.6381414806280596
Energy: 1.026368798457552
Energy: 1.3354367170510357
Energy: 1.1668008419462714
Energy: 1.636953848523217
Energy: 1.1668008419462714
Energy: 1.3347055803721886
Energy: 1.1657568982305964
Energy: 1.6680847437597999
Energy: 1.1657568982305964
Energy: 1.566696505144693
Energy: 1.0271040570890753
Energy: 1.3422496607849053
Energy: 1.0271040570890753
Energy: 1.6676684645963786
Energy: 1.0261670558584517
Energy: 1.0211523611510416
Energy: 1.026167055857158
Energy: 1.8583366572051279
Energy: 1.0272535471337796
Energy: 1.0430256576690358
Energy: 1.0272535471337796
Energy: 1.8573680929927763
Energy: 1.0271214531179038
Energy: 1.0280208975450624
Energy: 1.0271214531179038
Energy: 1.8654790427856673
Energy: 1.0287310813125243
Energy: 1.0252177863456036
Energy: 1.0287310813125243

minimum gb energy = 1.0211523611510416 eV
minimum distance =  2.22544655042289 Angstroms
sigma value = 25


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

Energy: 1.9706321648645553
Energy: 0.974342595845391
Energy: 0.9203734253828225
Energy: 0.9135416210053051
Energy: 2.158995216544584
Energy: 0.9152739436605992
Energy: 1.1702126515917242
Energy: 0.9152739436605992
Energy: 1.7907639649457594
Energy: 0.9136884772668785
Energy: 1.168394033354868
Energy: 0.9136884772668785
Energy: 1.407206708457056
Energy: 0.918129258288385
Energy: 1.4469769630675144
Energy: 0.918129258288385
Energy: 1.8084441696320053
Energy: 1.0223105161421924
Energy: 1.6095019306403169
Energy: 1.0223105161421924
Energy: 1.4156217824003057
Energy: 1.0214793786302105
Energy: 1.6069069379118273
Energy: 1.0214793786292005
Energy: 1.414799273372608
Energy: 1.0218361189210035
Energy: 1.8091269187072256
Energy: 1.0218361189199934
Energy: 1.4470672481710967
Energy: 0.9178679787214251
Energy: 1.6032450371764444
Energy: 0.9178679787194048
Energy: 1.1685673183874152
Energy: 0.9138206640079295
Energy: 1.9779645224126923
Energy: 0.9138206640079295
Energy: 1.1715078984438518
Energy: 0.9152761499326748
Energy: 1.8113256566933604
Energy: 0.9152761499336849
Energy: 0.9139788228698558
Energy: 0.9135154613104643
Energy: 1.6891996142823047
Energy: 0.9135154613104643
Energy: 0.9198148248922545
Energy: 0.9151400378135551
Energy: 1.9777028188885004
Energy: 0.9151400378145653
Energy: 0.9160661862441299
Energy: 0.9185944386300078
Energy: 2.16177357533097
Energy: 0.9185944386300078
Energy: 1.1669029593905444
Energy: 0.9136539095111625
Energy: 1.7883742532747182
Energy: 0.9136539095111625
Energy: 1.1674452737338425
Energy: 0.9131387812210752
Energy: 1.8088547209400427
Energy: 0.9131387812220855
Energy: 1.1730154288680794
Energy: 0.915581882956024
Energy: 1.7936842381455227
Energy: 0.9155818829580444
Energy: 1.6072316774682336
Energy: 0.9154228662692593
Energy: 1.7916048440309569
Energy: 0.9154228662692593
Energy: 1.1603128317343498
Energy: 1.0226904154357364
Energy: 1.6073643736045584
Energy: 1.0226904154347263
Energy: 1.6086494050608904
Energy: 1.0231181414185646
Energy: 1.4145494982847888
Energy: 1.023118141419575
Energy: 1.9787017122891732
Energy: 0.9133317616760748
Energy: 1.4149871256342785
Energy: 0.9133317616791052
Energy: 1.6900281971047681
Energy: 0.9191498147334851
Energy: 1.168910277457091
Energy: 0.9191498147314647
Energy: 1.9796726306438357
Energy: 0.9125277100372636
Energy: 0.9147913002473409
Energy: 0.9125277100372636
Energy: 1.9738505888600562
Energy: 0.9181529618652726
Energy: 1.1689015011860793
Energy: 0.9181529618642624
Energy: 1.6054221485500002
Energy: 0.9141370927200132
Energy: 0.9144151019558687
Energy: 0.9141370927190031
Energy: 1.8071290038745613
Energy: 0.9131767682493154
Energy: 0.9144378079768364
Energy: 0.913176768248305
Energy: 1.7913787005990527
Energy: 0.9172746408339062
Energy: 0.9217993226256189
Energy: 0.9172746408339062

minimum gb energy = 0.9125277100372636 eV
minimum distance =  2.22492039535759 Angstroms
sigma value = 41


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

Energy: 1.918612859301259
Energy: 0.8817447967264068
Energy: 0.8307568684837243
Energy: 0.8305878457007323
Energy: 2.2072438143401834
Energy: 0.8308475549407065
Energy: 1.044050152306922
Energy: 0.8308475549407065
Energy: 1.8945772416741746
Energy: 0.8297334211664067
Energy: 1.0416706185986344
Energy: 0.8297334211655785
Energy: 1.577458424560772
Energy: 0.8369328191396509
Energy: 1.4115380788784653
Energy: 0.8369328191396509
Energy: 1.9079923732788422
Energy: 0.8314544738616412
Energy: 1.4135326798134973
Energy: 0.8314544738608131
Energy: 1.568363101660387
Energy: 0.8311406628657896
Energy: 1.412521606506924
Energy: 0.8311406628657896
Energy: 1.573783273527411
Energy: 0.9207479890838581
Energy: 1.7383572901338453
Energy: 0.9207479890838581
Energy: 1.5877089089165386
Energy: 0.9251978197003979
Energy: 1.405836636157401
Energy: 0.9251978196987416
Energy: 1.2479442596484855
Energy: 0.828499494109338
Energy: 1.734101588806879
Energy: 0.828499494109338
Energy: 1.2509790708084938
Energy: 0.8286146531983017
Energy: 2.05031755016753
Energy: 0.8286146531991299
Energy: 1.041689909984674
Energy: 0.8384686107154676
Energy: 1.73158750751801
Energy: 0.8384686107146395
Energy: 1.0394809084795527
Energy: 0.8283111056641445
Energy: 2.0518673649683006
Energy: 0.8283111056641445
Energy: 1.0506709917903323
Energy: 0.8330418260295948
Energy: 2.051158791855385
Energy: 0.8330418260287665
Energy: 0.8289788780962245
Energy: 0.845746372787008
Energy: 1.7413765444798435
Energy: 0.845746372787008
Energy: 0.8327843089723695
Energy: 0.8300164868382132
Energy: 1.906881671378633
Energy: 0.8300164868365568
Energy: 0.8379523475148017
Energy: 0.8363699690987816
Energy: 1.896973150673476
Energy: 0.8363699690996097
Energy: 1.0405104146853348
Energy: 0.835746383732422
Energy: 1.9025538260367538
Energy: 0.8357463837332503
Energy: 1.031446566606357
Energy: 0.8283090638499142
Energy: 1.9051540672053924
Energy: 0.8283090638515705
Energy: 1.0422332110115629
Energy: 0.8341912736415482
Energy: 1.5718170962772644
Energy: 0.8341912736415482
Energy: 1.4178550390585334
Energy: 0.8311530300793725
Energy: 1.5682380258480888
Energy: 0.8311530300785444
Energy: 1.4093404663886349
Energy: 0.832353791313576
Energy: 1.7409247317117933
Energy: 0.8323537913152323
Energy: 1.4192115117035686
Energy: 0.9190616490669096
Energy: 1.5752264487893177
Energy: 0.9190616490627687
Energy: 1.7339461902838176
Energy: 0.91718341576906
Energy: 1.5689058424166586
Energy: 0.91718341576906
Energy: 1.4049121328730938
Energy: 0.9243349824772674
Energy: 1.4202790857524525
Energy: 0.9243349824764393
Energy: 1.7396593821616215
Energy: 0.8303180050804239
Energy: 1.2301735046299536
Energy: 0.8303180050779395
Energy: 1.7336000249878145
Energy: 0.830324443440549
Energy: 1.4156425148917657
Energy: 0.830324443439721
Energy: 1.7369381943525595
Energy: 0.8332966504344865
Energy: 1.0419196294476398
Energy: 0.8332966504353148
Energy: 1.90471394460504
Energy: 0.827903235453726
Energy: 1.0331112204321549
Energy: 0.8279032354528978
Energy: 1.735650184599086
Energy: 0.8398626387945488
Energy: 1.0418707237678955
Energy: 0.8398626387920641
Energy: 1.7329089337519636
Energy: 0.837021932903551
Energy: 0.829339811403395
Energy: 0.8370219329060355
Energy: 2.054984778021611
Energy: 0.8296456413467279
Energy: 0.8317494942315021
Energy: 0.8296456413458998
Energy: 1.8916322590916739
Energy: 0.8387411628555198
Energy: 0.8300932504679036
Energy: 0.8387411628555198

minimum gb energy = 0.8279032354528978 eV
minimum distance =  2.22932587140128 Angstroms
sigma value = 15


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

Energy: 1.6986892547965156
Energy: 0.8094935261273669
Energy: 0.7647785103766055
Energy: 0.7650797593347239
Energy: 2.1076989588829385
Energy: 0.7672178007140041
Energy: 0.9417342830183939
Energy: 0.7672178007126009
Energy: 1.966341579998227
Energy: 0.7649507289645231
Energy: 0.9401352804567644
Energy: 0.7649507289659262
Energy: 1.6936729756836135
Energy: 0.7717389281939582
Energy: 1.2617104483129356
Energy: 0.7717389281960629
Energy: 1.9734933679057713
Energy: 0.762445131773709
Energy: 1.263540484222885
Energy: 0.7624451317730073
Energy: 1.6833755262879952
Energy: 0.7631805696965704
Energy: 1.265546110388999
Energy: 0.7631805696986751
Energy: 1.4016715948111345
Energy: 1.0900687419984423
Energy: 1.5499208918428544
Energy: 1.0900687420012487
Energy: 1.6972199266502666
Energy: 1.0903511057668407
Energy: 1.2538075317836042
Energy: 1.0903511057675424
Energy: 1.3997584161684942
Energy: 1.0893760623974278
Energy: 1.5443460489527885
Energy: 1.0893760623974278
Energy: 1.3997015140811937
Energy: 1.0890411257506678
Energy: 1.8264752898023133
Energy: 1.0890411257506678
Energy: 1.2635870525332085
Energy: 1.092115731639462
Energy: 1.5533755969722218
Energy: 1.092115731639462
Energy: 1.1048096665778044
Energy: 0.76233732222322
Energy: 1.8274377581272296
Energy: 0.76233732222322
Energy: 1.2670713527403474
Energy: 0.7636783169343412
Energy: 1.824204464894023
Energy: 0.7636783169315986
Energy: 0.9356241176700917
Energy: 0.7712099091901986
Energy: 1.5496343527231637
Energy: 0.7712099091909002
Energy: 0.9354648700956842
Energy: 0.7630488096025694
Energy: 1.977040831826597
Energy: 0.7630488096018678
Energy: 0.9366120937719398
Energy: 0.7693602065200571
Energy: 1.8267529062549936
Energy: 0.7693602065193555
Energy: 0.7631790406647667
Energy: 0.7738149442975556
Energy: 1.831148715724179
Energy: 0.7738149442982573
Energy: 0.7631378227387818
Energy: 0.7640186014648053
Energy: 1.9760845695739426
Energy: 0.7640186014634021
Energy: 0.7788629136086328
Energy: 0.7728762396558893
Energy: 1.686369073516476
Energy: 0.772876239657994
Energy: 0.9509158987739511
Energy: 0.7699362800239232
Energy: 1.9722449203866086
Energy: 0.769936280026028
Energy: 0.9309830069142498
Energy: 0.7631429356899764
Energy: 1.9775130322897891
Energy: 0.7631429356899764
Energy: 0.9330752283470931
Energy: 0.7708462774395817
Energy: 1.6908443150812436
Energy: 0.7708462774423879
Energy: 1.2691070427957925
Energy: 0.7638945674249525
Energy: 1.6823892116734096
Energy: 0.7638945674249525
Energy: 1.262459362050761
Energy: 0.7623661891344823
Energy: 1.8309638494064375
Energy: 0.7623661891337806
Energy: 1.2798334960715232
Energy: 0.7655114801508098
Energy: 1.4091090910914212
Energy: 0.765511480152213
Energy: 1.5424356965541726
Energy: 1.0887705328366672
Energy: 1.828920684343834
Energy: 1.088770532839474
Energy: 1.2589855182352008
Energy: 0.8400701006008275
Energy: 1.5479982379148158
Energy: 0.8400701006001259
Energy: 1.5590282862534899
Energy: 1.0907125541196068
Energy: 1.4083810134253576
Energy: 1.09071255412101
Energy: 1.5444534091400597
Energy: 1.0897261144136383
Energy: 1.5481156551136808
Energy: 1.0897261144122352
Energy: 1.5417225474546348
Energy: 1.0881454378439543
Energy: 1.2623167545829597
Energy: 1.0881454378446558
Energy: 1.8408300331796654
Energy: 0.762352989565219
Energy: 1.1043847556698778
Energy: 0.7623529895666221
Energy: 1.5481742741525024
Energy: 0.7704966154772064
Energy: 1.2827338184397952
Energy: 0.7704966154744002
Energy: 1.8246072235604798
Energy: 0.7644376567941161
Energy: 0.9424169640293749
Energy: 0.7644376567913097
Energy: 1.97599682169161
Energy: 0.7662033037461482
Energy: 0.9490930863445427
Energy: 0.7662033037489544
Energy: 1.8235143479436888
Energy: 0.7803755646923226
Energy: 0.9330907939983254
Energy: 0.7803755646909193
Energy: 2.096996932773391
Energy: 0.7653306198957037
Energy: 0.7699942005447079
Energy: 0.7653306198943006
Energy: 1.9639849709410606
Energy: 0.7659228626125083
Energy: 0.7722336244791169
Energy: 0.7659228626111052

minimum gb energy = 0.76233732222322 eV
minimum distance =  2.23121750779857 Angstroms
sigma value = 85


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

Energy: 1.7806983846780453
Energy: 0.7658583064037812
Energy: 0.6888443004434394
Energy: 0.6889945282321843
Energy: 2.11873235590352
Energy: 0.6919098397404794
Energy: 0.8390194187475307
Energy: 0.6919098397404794
Energy: 1.7507605642797281
Energy: 0.6909535212925193
Energy: 0.8387383774078558
Energy: 0.690953521291911
Energy: 1.495163299853315
Energy: 0.6898673441940387
Energy: 1.129830098671335
Energy: 0.6898673441928218
Energy: 2.010394457429079
Energy: 0.6907120505286425
Energy: 1.129362232467499
Energy: 0.6907120505280341
Energy: 1.497436043865717
Energy: 0.6898252063503856
Energy: 1.134660785901194
Energy: 0.6898252063509942
Energy: 1.5021859314106114
Energy: 0.6891052951147503
Energy: 1.3774150763179767
Energy: 0.689105295112925
Energy: 1.7690960278896335
Energy: 0.6892202007976834
Energy: 1.1180742822061904
Energy: 0.6892202007982919
Energy: 1.5026252446530382
Energy: 1.2604543017217171
Energy: 1.3810699358028313
Energy: 1.2604543017217171
Energy: 1.5010481887104516
Energy: 1.259091341975813
Energy: 1.631428678506834
Energy: 1.2590913419752046
Energy: 1.3773712231574462
Energy: 1.0139709000524004
Energy: 1.3747005932843162
Energy: 1.0139709000530088
Energy: 1.2521168444100441
Energy: 0.6892656593159997
Energy: 1.6323888404548863
Energy: 0.6892656593159997
Energy: 1.3775866798222678
Energy: 0.6900064779858444
Energy: 1.6265372721245082
Energy: 0.6900064779864529
Energy: 1.1299938771958813
Energy: 0.6894814996856988
Energy: 1.3716266940494162
Energy: 0.6894814996856988
Energy: 0.9824078962503646
Energy: 0.688973039784101
Energy: 1.8830134775354543
Energy: 0.688973039784101
Energy: 1.1309069420386244
Energy: 0.6912074666418213
Energy: 1.6249782469671414
Energy: 0.6912074666418213
Energy: 0.8382137440328384
Energy: 0.6928221523666653
Energy: 1.62380010747374
Energy: 0.6928221523672736
Energy: 0.8369405119583189
Energy: 0.6894119007897965
Energy: 2.0085375702077894
Energy: 0.6894119007897965
Energy: 0.8384465141377475
Energy: 0.6893135746565126
Energy: 1.8739404637303616
Energy: 0.689313574655904
Energy: 0.6894395671661405
Energy: 0.689688341312338
Energy: 1.8738795398845773
Energy: 0.6896883413129465
Energy: 0.6904947760761674
Energy: 0.6898643617687084
Energy: 2.009940787599582
Energy: 0.6898643617687084
Energy: 0.689663347416429
Energy: 0.6895032492013478
Energy: 1.7482949105414953
Energy: 0.689503249201956
Energy: 0.8480753297134375
Energy: 0.6896423150343258
Energy: 1.9974905633819764
Energy: 0.6896423150349343
Energy: 0.8405244586550076
Energy: 0.6892048343738051
Energy: 2.011193467790545
Energy: 0.6892048343731966
Energy: 0.8411703106398954
Energy: 0.6891529986299526
Energy: 1.4954660339573793
Energy: 0.6891529986305612
Energy: 1.1330150492263251
Energy: 0.6895134566204683
Energy: 2.000900678305283
Energy: 0.6895134566204683
Energy: 1.1299609766139065
Energy: 0.6894848929288753
Energy: 1.7539844000525908
Energy: 0.6894848929282668
Energy: 1.377441842049084
Energy: 0.6906161537821723
Energy: 1.4980239157233646
Energy: 0.6906161537821723
Energy: 1.3778745532729162
Energy: 0.689045706840431
Energy: 1.8796593668008532
Energy: 0.6890457068398224
Energy: 1.3771523115223607
Energy: 1.2558365250285495
Energy: 1.5009973246342452
Energy: 1.2558365250285495
Energy: 1.628928303225947
Energy: 1.25757887690628
Energy: 1.2499132387583827
Energy: 1.2575788769056713
Energy: 1.3743090317915854
Energy: 1.2573837861245107
Energy: 1.6290513382732157
Energy: 1.2573837861251194
Energy: 1.6284898017783838
Energy: 0.6890466947157842
Energy: 1.2496968265363755
Energy: 0.6890466947145671
Energy: 1.8793673805296975
Energy: 0.6892569365277458
Energy: 1.2492560976601776
Energy: 0.6892569365277458
Energy: 1.3720522387987808
Energy: 0.6900880133712951
Energy: 1.2896964471074694
Energy: 0.6900880133688612
Energy: 1.8786782291264807
Energy: 0.6890378264912673
Energy: 1.1224392731456636
Energy: 0.6890378264918758
Energy: 1.8760403074004837
Energy: 0.6895949705012703
Energy: 1.132629250242233
Energy: 0.6895949705024872
Energy: 1.6238818750590562
Energy: 0.690558072407902
Energy: 0.8386422105752481
Energy: 0.6905580724091188
Energy: 2.1184182887319745
Energy: 0.6890346710587375
Energy: 0.8400202916151434
Energy: 0.689034671058129
Energy: 1.8761909839918938
Energy: 0.6895741341211389
Energy: 0.8381212834013806
Energy: 0.6895741341211389
Energy: 1.6214737857669042
Energy: 0.6893172383635296
Energy: 0.6894846448971802
Energy: 0.689317238364138
Energy: 2.009399972276282
Energy: 0.6895697010556401
Energy: 0.6898992467915178
Energy: 0.6895697010562486
Energy: 1.7484782909009406
Energy: 0.6895159605585981
Energy: 0.6897429418137069
Energy: 0.6895159605592065

minimum gb energy = 0.6888443004434394 eV
minimum distance =  2.22876990572122 Angstroms
sigma value = 113


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

Energy: 0.020480072135123487
Energy: 0.021695345643090974
Energy: 1.6199287907333229
Energy: 0.7246682810395817
Energy: 0.021514429073507316
Energy: 0.16897520095735355
Energy: 1.0624997395520646
Energy: 0.16897520096010818
Energy: 0.021522448558322693
Energy: 0.16652289344136728
Energy: 1.0601642547367884
Energy: 0.16652289343996396
Energy: 0.023077869048680404
Energy: 0.16892598699046013
Energy: 1.0623392767583661
Energy: 0.1689259869891088
Energy: 1.0598543535263372
Energy: 0.16893282949551428
Energy: 1.0603650580455948
Energy: 0.1689328294969176
Energy: 0.021150487895657717
Energy: 0.16659051505053996
Energy: 1.0602635347322085
Energy: 0.16659051505100772

minimum gb energy = 0.020480072135123487 eV
minimum distance =  2.45509262120538 Angstroms
sigma value = 1