Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.851000025868416
cohesive_energy=4.290337340197516
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.015083361177429654
Energy: 0.015614774311752804
Energy: 0.015602947615185677
Energy: 1.927847031799294
Energy: 0.01560294148011798
Energy: 0.015529947523436444
Energy: 0.015083361177429654
Energy: 0.015608774953189986
Energy: 0.015602947055329884
Energy: 1.701545248653752
Energy: 0.8023139583179401
Energy: 0.015537447858233851
Energy: 0.016388379504469357
Energy: 0.7985558956878229
Energy: 0.016388379504469357
Energy: 0.015533804434437101
Energy: 0.8023139583179401
Energy: 0.01535913843457924
Energy: 0.016388379503993983
Energy: 0.7985558956878229
Energy: 0.015083361177429654
Energy: 0.015604450348526049
Energy: 0.01560293421025885
Energy: 1.9278470317988183
Energy: 0.015602933655077544
Energy: 0.015593159425555064
Energy: 0.01508336117766734
Energy: 0.01559490370892711
Energy: 0.0156029335879445
Energy: 1.7015452486539895
Energy: 0.8023139583181778
Energy: 0.015359510030536564
Energy: 0.016388379504469357
Energy: 0.7985558956875851
Energy: 0.016388379503993983
Energy: 0.015349143605764302
Energy: 0.8023139583179401
Energy: 0.01535768724111584
Energy: 0.016388379504469357
Energy: 0.7985558956875851
Energy: 0.01508336117719197
Energy: 0.01561490096212494
Energy: 0.015602940662663553
Energy: 1.7015452486542273
Energy: 0.015602935282089945
Energy: 0.015608528046511744
Energy: 0.015083361177429654
Energy: 0.015613666152146643
Energy: 0.015602935742064866
Energy: 1.7015452486539895
Energy: 0.8023139583181778
Energy: 0.015559827538450298
Energy: 0.016388379504469357
Energy: 0.7985558956878229
Energy: 0.016388379504469357
Energy: 0.015545258433954037
Energy: 0.8023139583181778
Energy: 0.015542900454720007
Energy: 0.016388379504231672
Energy: 0.7985558956875851
Energy: 0.015083361177429654
Energy: 0.015593325288967504
Energy: 0.015602933657401584
Energy: 1.9278470317988183
Energy: 0.015602934208172497
Energy: 0.015594225343131795
Energy: 0.01508336117766734
Energy: 0.015593954450254872
Energy: 0.015602934843057789
Energy: 1.701545248653752

minimum gb energy = 0.01508336117719197 eV
minimum distance =  2.31571944615052 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.3804863715219837
Energy: 1.290617926482896
Energy: 1.2684997548538202
Energy: 1.3582543673088205
Energy: 1.258717231204161
Energy: 1.3339877919796364
Energy: 1.3804863715219837
Energy: 1.2906179264823268
Energy: 1.2684997548543895
Energy: 1.35825436730939
Energy: 1.28637967332186
Energy: 1.2902905271124676
Energy: 1.2540944036780637
Energy: 1.3161334649808882
Energy: 1.2362907611166065
Energy: 1.2993384823432508
Energy: 1.2863796733212909
Energy: 1.290290527113606
Energy: 1.254094403676925
Energy: 1.316133464980319
Energy: 1.2711063524025852
Energy: 1.2664182337853616
Energy: 1.2190007798785643
Energy: 1.3098621027942912
Energy: 1.2313899500353338
Energy: 1.264493375200411
Energy: 1.2711063524025852
Energy: 1.3016536906398823
Energy: 1.2190007798769085
Energy: 1.3098621027959991
Energy: 1.2012761955885831
Energy: 1.2415149810017878
Energy: 1.234836670716157
Energy: 1.2620465038368023
Energy: 1.2233726752063672
Energy: 1.269698105379887
Energy: 1.2012761955897215
Energy: 1.24151498100008
Energy: 1.2348366707178646
Energy: 1.2620465038356636
Energy: 1.2500173200751672
Energy: 1.2476185729658418
Energy: 1.2400751655455895
Energy: 1.2466949292228586
Energy: 1.2178442100755391
Energy: 1.2045892032415384
Energy: 1.2500173200757363
Energy: 1.2476185729647034
Energy: 1.2400751655461588
Energy: 1.2466949292211509
Energy: 1.2402974161650815
Energy: 1.2310487732135604
Energy: 1.2189256594323012
Energy: 1.2316990516290705
Energy: 1.2487176238520268
Energy: 1.2693623993709586
Energy: 1.2402974161650815
Energy: 1.2310487732118525
Energy: 1.2189256594323012
Energy: 1.231699051630209
Energy: 1.23766533767928
Energy: 1.2346445747412662
Energy: 1.310871813071588
Energy: 1.2206162879589608
Energy: 1.1977038678397378
Energy: 1.2410767916585663
Energy: 1.2376653376809879
Energy: 1.2346445747395585
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Energy: 1.2206162879583917
Energy: 1.295127012108543
Energy: 1.2661848553554758
Energy: 1.2786111803676046
Energy: 1.2191324793778542
Energy: 1.2894540868455757
Energy: 1.2833688612580143
Energy: 1.2951270121096816
Energy: 1.2661848553554758
Energy: 1.2972106254861206
Energy: 1.2191324793795617
Energy: 1.2901947557171618
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Energy: 1.3001918738395595
Energy: 1.2482230607310378
Energy: 1.311652268086963
Energy: 1.2503917225873045
Energy: 1.3512110390985472
Energy: 1.2769611666045488
Energy: 1.2836849491265463
Energy: 1.3542279697159563
Energy: 1.2872367057141374
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Energy: 1.3512110391008243
Energy: 1.2769611666028413
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Energy: 1.2403959763731547
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Energy: 1.2062918616333886
Energy: 1.2078922335126334
Energy: 1.2469200635888809
Energy: 1.2083682106938394
Energy: 1.240395976373724
Energy: 1.2228409490862344
Energy: 1.2062918616368041
Energy: 1.2339789444513503
Energy: 1.2742662112675929
Energy: 1.212192247277084
Energy: 1.2398199426920244
Energy: 1.2666408860073117
Energy: 1.2466012147945658
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Energy: 1.2742662112687313
Energy: 1.212192247277084
Energy: 1.2398199426920244
Energy: 1.2167858319877611
Energy: 1.2970009269109053
Energy: 1.236116259776179
Energy: 1.2527560724089748
Energy: 1.2817502035720882
Energy: 1.2974140935125429
Energy: 1.216785831987192
Energy: 1.297000926912044
Energy: 1.2361162597750406
Energy: 1.2527560724112516
Energy: 1.298821187822482
Energy: 1.3029974910682907
Energy: 1.2323609550379897
Energy: 1.3046417713372762
Energy: 1.3542522636806225
Energy: 1.2875632255116278
Energy: 1.2988211878219127
Energy: 1.3029974910682907
Energy: 1.2323609550396977
Energy: 1.304641771338984
Energy: 1.280434500449328
Energy: 1.323962732874249
Energy: 1.2540707813672258
Energy: 1.27317355960925
Energy: 1.263478933607027
Energy: 1.2923292476249437
Energy: 1.280434500449328
Energy: 1.3239627328736796
Energy: 1.2540707813672258
Energy: 1.273173559610958
Energy: 1.2209224799589335
Energy: 1.28815758510888
Energy: 1.258440464344965
Energy: 1.2893796255267975
Energy: 1.2831429081708177
Energy: 1.2909012831004525
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Energy: 1.28815758510888
Energy: 1.2584404643426879
Energy: 1.2893796255273666
Energy: 1.2166011329538509
Energy: 1.2633036837634044
Energy: 1.2251917474608929
Energy: 1.2379869926886162
Energy: 1.22889946450657
Energy: 1.2215207073495704
Energy: 1.2166011329538509
Energy: 1.2633036837673894
Energy: 1.2251917474626008
Energy: 1.2379869926886162
Energy: 1.2202942060595776
Energy: 1.2196353801275273
Energy: 1.200363041970103
Energy: 1.2361988417910048
Energy: 1.2629433295949513
Energy: 1.273852584248224
Energy: 1.2202942060573008
Energy: 1.2196353801275273
Energy: 1.200363041970103
Energy: 1.2064392999972338
Energy: 1.207712328008477
Energy: 1.2423873896598205
Energy: 1.2470407124458838
Energy: 1.2373914444205991
Energy: 1.1932601382711536
Energy: 1.2377997297134222
Energy: 1.2077123280090463
Energy: 1.2423873896586821
Energy: 1.2470407124458838
Energy: 1.2373914444183218
Energy: 1.2498104600485336
Energy: 1.2251427399760533
Energy: 1.2342835629659032
Energy: 1.2709445961715549
Energy: 1.2749199849628488
Energy: 1.2208415439600415
Energy: 1.2498104600462565
Energy: 1.225142739977192
Energy: 1.2342835629659032
Energy: 1.2709445961698471
Energy: 1.293054815611143
Energy: 1.2202690764567607
Energy: 1.2873056705830523
Energy: 1.2709351707292365
Energy: 1.298955623759998
Energy: 1.2568630214391434
Energy: 1.2930548156117123
Energy: 1.2202690764584687
Energy: 1.266036785802313
Energy: 1.27093517072639
Energy: 1.3047963200660346
Energy: 1.3256238545451022
Energy: 1.2296333483907216
Energy: 1.3297552717830932
Energy: 1.2483573006274917
Energy: 1.2314906700582915
Energy: 1.3047963200654655
Energy: 1.3256238545451022
Energy: 1.2296333483918602
Energy: 1.3297552717808163
Energy: 1.3582330345154283
Energy: 1.258536833077523
Energy: 1.3187704314807926
Energy: 1.3378689270838666
Energy: 1.2906179264823268
Energy: 1.2684997548555281
Energy: 1.3582330345159976
Energy: 1.258536833077523
Energy: 1.3187704314819313
Energy: 1.3378689270838666
Energy: 1.3161334649808882
Energy: 1.2362907611171754
Energy: 1.2993384823426817
Energy: 1.2863796733212909
Energy: 1.290290527113606
Energy: 1.2540944036774941
Energy: 1.3161334649814576
Energy: 1.2362907611166065
Energy: 1.2993384823415433
Energy: 1.2863796733229986
Energy: 1.293054815611143
Energy: 1.2313899500364724
Energy: 1.268796593741243
Energy: 1.271106352402016
Energy: 1.28720968991874
Energy: 1.2190007798779952
Energy: 1.2930548156117123
Energy: 1.2313899500364724
Energy: 1.264493375200411
Energy: 1.2711063524031545
Energy: 1.2620465038356636
Energy: 1.223372675205798
Energy: 1.2671914792792085
Energy: 1.2012761955880136
Energy: 1.2415149810006494
Energy: 1.2348366707178646
Energy: 1.2620465038368023
Energy: 1.2233726752052285
Energy: 1.26719147927807
Energy: 1.2012761955891522

minimum gb energy = 1.1932601382711536 eV
minimum distance =  2.26039547696961 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.4547867213492842
Energy: 1.2851834429657556
Energy: 1.296854039671366
Energy: 1.2891124798764424
Energy: 1.1881144366475445
Energy: 1.4022669719217573
Energy: 1.454786721348451
Energy: 1.285183442964367
Energy: 1.296854039672477
Energy: 1.2755208586454256
Energy: 1.1610265165403777
Energy: 1.2160346906011248
Energy: 1.2324514766390997
Energy: 1.3486805763323808
Energy: 1.2194258342249278
Energy: 1.3593694877711118
Energy: 1.1610265165398221
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Energy: 1.3469831237621646
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Energy: 1.186213587827688
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Energy: 1.2602870010173506
Energy: 1.1770124883584947
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Energy: 1.2508467420241085
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Energy: 1.252921698265642
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Energy: 1.165015368643591
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Energy: 1.2600166625152842
Energy: 1.1828041195156083
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Energy: 1.2647809252856672
Energy: 1.194824813336854
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Energy: 1.2856849682028506
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minimum gb energy = 1.1275043045959778 eV
minimum distance =  2.19756533326968 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.1648153339505651
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Energy: 1.3055038270255048
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Energy: 1.2765449106832283
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Energy: 1.0508314527798124
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Energy: 1.1431520694750836
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Energy: 1.134607132232554
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Energy: 1.2513953150487227
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Energy: 1.023652373564936
Energy: 1.279425185287922
Energy: 1.1346071322322406
Energy: 1.4159031597435572
Energy: 1.2513953150493498
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Energy: 1.2632963624450955
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Energy: 1.4937559284963824
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Energy: 1.2626832380435464
Energy: 1.1568329665621957
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Energy: 1.233678177652701
Energy: 1.2559934700958695
Energy: 1.262641868932589
Energy: 1.26268323804386
Energy: 1.1568329665621957
Energy: 1.4936021220814633
Energy: 1.2336781776536412
Energy: 1.165882287377163
Energy: 1.193259044260618
Energy: 1.1693811636081268
Energy: 1.1927515410296337
Energy: 1.2799655631913234
Energy: 1.163419031387723
Energy: 1.1658822873777897
Energy: 1.193259044259678
Energy: 1.1693811636078135
Energy: 1.1927515410280667
Energy: 1.0807245724927121
Energy: 1.1268320209895761
Energy: 1.5064162545688682
Energy: 1.1083777018966592
Energy: 1.2522752763208422
Energy: 1.2502782183065866
Energy: 1.0807245724911452
Energy: 1.1268320209892628
Energy: 1.5064162545682416
Energy: 1.1083777018969727
Energy: 1.4003958407924093
Energy: 1.2395368844910075
Energy: 1.2803732892568962
Energy: 1.0496983171373275
Energy: 1.291371110229226
Energy: 1.2709912809713624
Energy: 1.4003958407917825
Energy: 1.2395368844906942
Energy: 1.2803732892572097
Energy: 1.0496983171376408
Energy: 1.2160318687386888
Energy: 1.1346438583480383
Energy: 1.0844051861802264
Energy: 1.2337632379472938
Energy: 1.494006737241151
Energy: 1.0585724959355824
Energy: 1.216031868739316
Energy: 1.1346438583480383
Energy: 1.0844051861802264
Energy: 1.233763237946667
Energy: 1.2632632627401803
Energy: 1.1676292303773557
Energy: 1.058293517413065
Energy: 1.0704617302082877
Energy: 1.3582123789905793
Energy: 1.2631150607861061
Energy: 1.2632632627395535
Energy: 1.1676292303757891
Energy: 1.0582935174121249
Energy: 1.0704617302079744
Energy: 1.244535477407404
Energy: 1.357318052857816
Energy: 1.2121740681653992
Energy: 1.2796807057316921
Energy: 1.2859154417903813
Energy: 1.266874749678225
Energy: 1.2445354774077173
Energy: 1.3573180528590694
Energy: 1.2121740681663393
Energy: 1.2796807057313786

minimum gb energy = 1.002562651872744 eV
minimum distance =  2.21993161528943 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.3796406798755216
Energy: 1.553601037310036
Energy: 1.0950586517182648
Energy: 1.3739949456278222
Energy: 1.095160390260734
Energy: 1.553646755885244
Energy: 1.3796406798744458
Energy: 1.553601037311112
Energy: 1.095058651717189
Energy: 1.3739949456267462
Energy: 1.167257160954301
Energy: 1.1268160320915097
Energy: 1.0950000201685262
Energy: 1.1902698272363967
Energy: 1.1536525159518245
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Energy: 1.0950000201685262
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Energy: 1.1833046412804558
Energy: 1.3799961930800597
Energy: 1.2064964810175522
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Energy: 1.1238457613803499
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Energy: 1.1610334933898099
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Energy: 1.0949441921103025
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Energy: 1.161033493388783
Energy: 1.1834484127216254
Energy: 1.1532420173627136
Energy: 1.190734297568739
Energy: 1.1409143154065489
Energy: 1.098147341625396
Energy: 1.1316802008633835
Energy: 1.1246244370366136
Energy: 1.094939046694797
Energy: 1.4786997445281145
Energy: 1.140914315407625
Energy: 1.098147341625396
Energy: 1.1316802008633835
Energy: 1.1246244370376894
Energy: 1.1889134167706836
Energy: 1.1328607532329094
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Energy: 1.3797701043446782
Energy: 1.1237565617144283
Energy: 1.1851019728397525
Energy: 1.1889134167706836
Energy: 1.1328607532329094
Energy: 1.3627278385179673
Energy: 1.379770104345754
Energy: 1.1842314422212488
Energy: 1.1242367475514725
Energy: 1.1877258813348373
Energy: 1.182834701048759
Energy: 1.1536466093586641
Energy: 1.184149278098933
Energy: 1.1842314422223248
Energy: 1.1242367475514725
Energy: 1.1877258813337612
Energy: 1.182834701048759
Energy: 1.1612063140954105
Energy: 1.2064964810186283
Energy: 1.3799918782534086
Energy: 1.1833054803645806
Energy: 1.2069525586184275
Energy: 1.1237799587495783
Energy: 1.1612063140954105
Energy: 1.2064964810186283
Energy: 1.3799918782534086
Energy: 1.1833054803645806
Energy: 1.1902774882525
Energy: 1.0949995959325824
Energy: 1.12789222377353
Energy: 1.1671995256834702
Energy: 1.1846067855657951
Energy: 1.1536370537787028
Energy: 1.1902774882525
Energy: 1.0949995959325824
Energy: 1.12789222377353
Energy: 1.1671995256834702
Energy: 1.3739949456267462
Energy: 1.0951603902596585
Energy: 1.553646755885244
Energy: 1.3796406798744458
Energy: 1.553601037310036
Energy: 1.095058651717189
Energy: 1.3739949456267462
Energy: 1.095160390260734
Energy: 1.553646755885244
Energy: 1.3796406798744458

minimum gb energy = 1.094887557632623 eV
minimum distance =  2.22320767778628 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.4154056064253178
Energy: 1.522229113789486
Energy: 1.1452299865857205
Energy: 1.279096994704875
Energy: 1.1403321691902424
Energy: 1.3860158128727842
Energy: 1.4154056064261527
Energy: 1.5222291137890687
Energy: 1.1452299865865554
Energy: 1.2790969946823347
Energy: 1.172941574787718
Energy: 1.2260762995009449
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Energy: 1.1235930319157232
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Energy: 1.1231265872480394
Energy: 1.2293818763899174
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Energy: 1.1285800323001782
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Energy: 1.3716739688830932
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Energy: 1.1522034671374433
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Energy: 1.1522034671382781
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Energy: 1.1263285256278481
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Energy: 1.2930683192889825
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Energy: 1.1800708871170593
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Energy: 1.2892010445393698
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Energy: 1.360474111185955
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Energy: 1.30748482845649
Energy: 1.2676849833877633
Energy: 1.5094380395928337
Energy: 1.1410569906778065
Energy: 1.3310422683485148
Energy: 1.2747921450961757
Energy: 1.3576829627702511
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Energy: 1.509438039591999
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Energy: 1.3310422683485148
Energy: 1.101534138260573
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Energy: 1.1402284822467064
Energy: 1.2663072446067434
Energy: 1.1491555849393276
Energy: 1.1437098420198433
Energy: 1.101534138260573
Energy: 1.2311412585599644
Energy: 1.1402284822475413
Energy: 1.2663072446063257
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Energy: 1.1239715445585068
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Energy: 1.2119438112900829
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Energy: 1.1697497586460774
Energy: 1.1552594563541136
Energy: 1.3987613360337676
Energy: 1.4067833887260002
Energy: 1.1755353047139292
Energy: 1.1516866999917064
Energy: 1.278346452784373
Energy: 1.1399479572883848
Energy: 1.3987613360346023
Energy: 1.4067833887260002
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Energy: 1.1516866999917064
Energy: 1.2888562189411399
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Energy: 1.5213525546521063
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Energy: 1.2888562189407227
Energy: 1.1831264554036227
Energy: 1.5213525546516888
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Energy: 1.142343522510358
Energy: 1.2391593528321325
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Energy: 1.1397323889867503
Energy: 1.2691777350438918
Energy: 1.151546494459516
Energy: 1.1423435225107754
Energy: 1.2391593528321325
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Energy: 1.139732388987585
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Energy: 1.1238628540543059
Energy: 1.1257227664917697
Energy: 1.2513638622273793
Energy: 1.123310958480516
Energy: 1.1230889378847
Energy: 1.251363862227797
Energy: 1.123862854054723
Energy: 1.1257227664926048
Energy: 1.251363862227797
Energy: 1.1404893160126115
Energy: 1.3635202227322505
Energy: 1.437187470279087
Energy: 1.1431519207985201
Energy: 1.1516599984640077
Energy: 1.3171958355454236
Energy: 1.1404893160121938
Energy: 1.3635202227318328
Energy: 1.4371874702795044
Energy: 1.1431519207989373
Energy: 1.1396451093686784
Energy: 1.3128435218006695
Energy: 1.182769068260027
Energy: 1.4328663389701666
Energy: 1.145199689642894
Energy: 1.3135230986202677
Energy: 1.1396451093686784
Energy: 1.3128435218015044
Energy: 1.1827690682596097
Energy: 1.4328663389705838
Energy: 1.1511630323208424
Energy: 1.175535304712677
Energy: 1.2526362223277023
Energy: 1.2868456496752567
Energy: 1.1388493961404358
Energy: 1.2781069562569665
Energy: 1.1511630323216773
Energy: 1.1755353047122594
Energy: 1.2526362223281196
Energy: 1.286845649674422
Energy: 1.129833413267781
Energy: 1.1697497586489993
Energy: 1.1253664289188587
Energy: 1.123612386670008
Energy: 1.2119438112909175
Energy: 1.1479705527835289
Energy: 1.1298334132665289
Energy: 1.169749758647747
Energy: 1.125366428918024
Energy: 1.1236123866708427
Energy: 1.2865193187677437
Energy: 1.1413522946509105
Energy: 1.375868508021159
Energy: 1.095798753125256
Energy: 1.1382332150655077
Energy: 1.3162299061425882
Energy: 1.2865193187685786
Energy: 1.1413522946509105
Energy: 1.3758685080215765
Energy: 1.0957987531248385
Energy: 1.126534688007718
Energy: 1.1385866995131697
Energy: 1.3874415898156294
Energy: 1.2713406402144816
Energy: 1.5229099268153339
Energy: 1.2744794829301074
Energy: 1.1265346880081355
Energy: 1.1385866995131697
Energy: 1.3874415898147947
Energy: 1.2713406402144816
Energy: 1.3080038220563512
Energy: 1.1545201840405528
Energy: 1.2555776505402503
Energy: 1.2904961803353059
Energy: 1.1320370246428566
Energy: 1.2842353817701824
Energy: 1.3080038220563512
Energy: 1.1545201840409702
Energy: 1.2555776505402503
Energy: 1.290496180334471

minimum gb energy = 1.0957987531248385 eV
minimum distance =  2.24875724401575 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.2406308464503728
Energy: 1.2480502290835576
Energy: 1.470747182609717
Energy: 1.5536495734487101
Energy: 1.470983402780757
Energy: 1.2477269014779617
Energy: 1.240630846449382
Energy: 1.2480502290845483
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Energy: 1.3967660858974016
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Energy: 1.1930752047994544
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Energy: 1.1698242730025017
Energy: 1.3201957893594152
Energy: 1.4760055476622496
Energy: 1.4079973279796225
Energy: 1.2164770556855193
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Energy: 1.1723166336089943
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Energy: 1.1813362191075332
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Energy: 1.248161207783792
Energy: 1.3553336592828096
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Energy: 1.193162171963079
Energy: 1.248161207783792
Energy: 1.355333659283305
Energy: 1.4705431951352304
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Energy: 1.2064025209563463
Energy: 1.522177344556019
Energy: 1.247263658722438
Energy: 1.4707471826087262
Energy: 1.581902585373127
Energy: 1.4707456707486621
Energy: 1.2064025209578326
Energy: 1.5221773445555236
Energy: 1.1809066437081714
Energy: 1.2160454368888813
Energy: 1.216326417408264
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Energy: 1.1930752047994544
Energy: 1.1809066437071805
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Energy: 1.2163264174072732
Energy: 1.4556752693114559
Energy: 1.4594920853286995
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Energy: 1.1711704410551071
Energy: 1.1315963800102482
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Energy: 1.4079973279806135
Energy: 1.4594920853286995
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Energy: 1.171170441056098
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Energy: 1.1937292703138354
Energy: 1.3683753694632261
Energy: 1.2052151941030145
Energy: 1.3489479084526814
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Energy: 1.1937292703138354
Energy: 1.3683753694647127
Energy: 1.2052151941015283
Energy: 1.3489479084526814
Energy: 1.4100787222687456
Energy: 1.4953424990398043
Energy: 1.2845343114468457
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Energy: 1.193209840842343
Energy: 1.1871655780536674
Energy: 1.410078722267259
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Energy: 1.2845343114468457
Energy: 1.2330604677044192
Energy: 1.2158546043682577
Energy: 1.1119569150494497
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Energy: 1.4707215203896995
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Energy: 1.2158546043682577
Energy: 1.1119569150479633
Energy: 1.3598841738328646
Energy: 1.1647426466219397
Energy: 1.144007915111673
Energy: 1.1900171323355833
Energy: 1.1122815685805156
Energy: 1.215860525383692
Energy: 1.5110266060164552
Energy: 1.4706576026816323
Energy: 1.144007915111673
Energy: 1.1900171323350877
Energy: 1.1122815685800203
Energy: 1.2158605253831964
Energy: 1.248469599843888
Energy: 1.1991409986413055
Energy: 1.3934945152856977
Energy: 1.1748468046656249
Energy: 1.1996513088227132
Energy: 1.1932541331372304
Energy: 1.2484695998433926
Energy: 1.1991409986403145
Energy: 1.3934945152842113
Energy: 1.1748468046651293
Energy: 1.366481230704702
Energy: 1.2442124667342884
Energy: 1.233097844273029
Energy: 1.1936353870376784
Energy: 1.1806866559532927
Energy: 1.1698242730029973
Energy: 1.366481230761683
Energy: 1.2442124667347838
Energy: 1.233097844273029
Energy: 1.1936353870376784
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Energy: 1.4760055476622496
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Energy: 1.2490446886426219
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Energy: 1.4718289626730883
Energy: 1.249044688641631
Energy: 1.216594333871297
Energy: 1.1810709855917898
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Energy: 1.4707471826092215
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Energy: 1.39676608590087
Energy: 1.364447302108388
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Energy: 1.1930752048004454
Energy: 1.180906643708667
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Energy: 1.1709750591675052
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Energy: 1.482777684176399
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Energy: 1.1697875168878873
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Energy: 1.1937300741998098
Energy: 1.2483303877818284
Energy: 1.15248067826106
Energy: 1.3988822059608426
Energy: 1.1697875168883827
Energy: 1.306458593997314
Energy: 1.1937300741988186
Energy: 1.2330604677044192
Energy: 1.1932098408433338
Energy: 1.1871655780521808
Energy: 1.4100787222677549
Energy: 1.4296831884844488
Energy: 1.1987881017916062
Energy: 1.2330604677044192
Energy: 1.1932098408428384
Energy: 1.1871655780531718
Energy: 1.4100787222692412
Energy: 1.1981723271057845
Energy: 1.470721520391186
Energy: 1.4263627594531083
Energy: 1.2158546043682577
Energy: 1.1118939927084306
Energy: 1.31642330741097
Energy: 1.1981723271052889
Energy: 1.4707215203896995
Energy: 1.4263627594526127
Energy: 1.215854604368753
Energy: 1.2158520687851537
Energy: 1.5433996929374534
Energy: 1.4706199320140998
Energy: 1.1440079151131597
Energy: 1.1881335455828674
Energy: 1.1122815685800203
Energy: 1.215852068785604
Energy: 1.5433996929364626
Energy: 1.4706199320140998
Energy: 1.144007915113655
Energy: 1.1748468046690934
Energy: 1.2182543231840495
Energy: 1.1932662350623489
Energy: 1.1940795911910904
Energy: 1.2843715930406232
Energy: 1.518155413267434
Energy: 1.1748468046671112
Energy: 1.2182543231860317
Energy: 1.1932662350613579
Energy: 1.1940795911925768
Energy: 1.1936353870386691
Energy: 1.1806866559532927
Energy: 1.1698242730029973
Energy: 1.3201957894069818
Energy: 1.1802692990578716
Energy: 1.2330978442750111
Energy: 1.1936353870366871
Energy: 1.1806866559527973
Energy: 1.1698242730025017
Energy: 1.3201957894203598
Energy: 1.4760055476622496
Energy: 1.407997327980118
Energy: 1.2164770556855193
Energy: 1.131618480594838
Energy: 1.1723166336089943
Energy: 1.1694615268554096
Energy: 1.4760055476622496
Energy: 1.407997327980118
Energy: 1.2164770556835376
Energy: 1.131618480594838
Energy: 1.1813362191085242
Energy: 1.1931621719635745
Energy: 1.2481612077852786
Energy: 1.3553336592828096
Energy: 1.2163264174077686
Energy: 1.2166002847820208
Energy: 1.1813362191080288
Energy: 1.1931621719625836
Energy: 1.248161207784783
Energy: 1.3553336592828096

minimum gb energy = 1.1118939927084306 eV
minimum distance =  2.19701399989267 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.3702881615916203
Energy: 1.1729768266521465
Energy: 1.1896923691228467
Energy: 1.3693541828864226
Energy: 1.1801848542791926
Energy: 1.1728061627136757
Energy: 1.370288161591348
Energy: 1.1729768266407223
Energy: 1.1896923691228467
Energy: 1.3476690769589532
Energy: 1.4535987218499038
Energy: 1.2390145409829036
Energy: 1.3372118706782044
Energy: 1.1986448551610116
Energy: 1.2231868762320413
Energy: 1.2864378242868784
Energy: 1.4535987218517832
Energy: 1.2390145409829036
Energy: 1.3372118706776603
Energy: 1.1986448551599236
Energy: 1.251497093379676
Energy: 1.1795827824240175
Energy: 1.4071509895334384
Energy: 1.4942373776904192
Energy: 1.2188061241023451
Energy: 1.178237999382463
Energy: 1.251497093380492
Energy: 1.1795827824234733
Energy: 1.4071509895331664
Energy: 1.4942373776915068
Energy: 1.2380690052997083
Energy: 1.180525082091006
Energy: 1.1699476682917185
Energy: 1.3612201299216753
Energy: 1.2193636047085379
Energy: 1.4250787285597466
Energy: 1.2380690052994363
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Energy: 1.169947668290358
Energy: 1.361220129921131
Energy: 1.1608489369603814
Energy: 1.179109191948252
Energy: 1.2329046859825459
Energy: 1.420115992726284
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Energy: 1.3610697709964135
Energy: 1.1608489369609256
Energy: 1.179109191948252
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Energy: 1.4532712276490856
Energy: 1.1803232291083776
Energy: 1.2558773140482193
Energy: 1.1782763647796357
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Energy: 1.1992517920864665
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Energy: 1.2270694206309958
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Energy: 1.548385212230033
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Energy: 1.199055429473164
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Energy: 1.1789372189809568
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Energy: 1.2471559573499198
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Energy: 1.3314667472802122
Energy: 1.1823232484561355
Energy: 1.2106308968602253
Energy: 1.3611362228289874
Energy: 1.170635964882809
Energy: 1.1833395983669452
Energy: 1.235703253390111
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Energy: 1.2106308968596813
Energy: 1.3611362228298034
Energy: 1.1706359648836253
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Energy: 1.2264172153787174
Energy: 1.2199609366451376
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Energy: 1.1824059939593645
Energy: 1.279019241212446
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Energy: 1.2264172153773572
Energy: 1.2199609366448654
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Energy: 1.1824059939601803
Energy: 1.2200566341306593
Energy: 1.1891416159785682
Energy: 1.3462878028918945
Energy: 1.2595712184367807
Energy: 1.5136386863719
Energy: 1.2770645254599995
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Energy: 1.3462878028943426
Energy: 1.2595712184362369
Energy: 1.1797586628728656
Energy: 1.2341300846283547
Energy: 1.205142183597264
Energy: 1.146586689675108
Energy: 1.3357967069784327
Energy: 1.270741399036269
Energy: 1.1797586628723216
Energy: 1.2341300846261787
Energy: 1.20514218359672
Energy: 1.1465866896753798
Energy: 1.1797710809777564
Energy: 1.1989508129102184
Energy: 1.2263796709490185
Energy: 1.1779497173054216
Energy: 1.1864209022216021
Energy: 1.215876064374846
Energy: 1.1797710809788198
Energy: 1.1989508129115782
Energy: 1.2263796709479309
Energy: 1.1779497173054216
Energy: 1.228836905930724
Energy: 1.3308933497646094
Energy: 1.2187070864293033
Energy: 1.1780479320186277
Energy: 1.1783731091555212
Energy: 1.1825259633448617
Energy: 1.228836905930996
Energy: 1.3308933497651534
Energy: 1.2187070864276714
Energy: 1.1780479320172674
Energy: 1.1608445781306764
Energy: 1.362766286712115
Energy: 1.2472592259448516
Energy: 1.2472813150258657
Energy: 1.3282045798188518
Energy: 1.1791555231600914
Energy: 1.1608445781314927
Energy: 1.362766286712659
Energy: 1.2472592259440356
Energy: 1.2472813150255935
Energy: 1.222221710718594
Energy: 1.30865510517176
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Energy: 1.4206999346268658
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Energy: 1.3610015536747904
Energy: 1.2473631134657515
Energy: 1.2760559356015004

minimum gb energy = 1.1085869519339213 eV
minimum distance =  2.17301898752082 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.1151084432109415
Energy: 1.0975330213177728
Energy: 1.1246168671641816
Energy: 1.097300889980419
Energy: 1.3320376977311332

minimum gb energy = 1.0384787044424741 eV
minimum distance =  2.28256872829696 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 1.2433764208441684 eV
minimum distance =  2.2108213136393 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.2343934842836453
Energy: 1.4468893850096094
Energy: 1.3225968954839868
Energy: 1.3078459176862003
Energy: 1.434573936491289
Energy: 1.3270100786616406
Energy: 1.3253657685457372
Energy: 1.331266947974598
Energy: 1.325388113734566
Energy: 1.3269891018459754
Energy: 1.434573936491289
Energy: 1.327010078662454
Energy: 1.3253657685457372
Energy: 1.6502789290894835
Energy: 1.2343841114425045
Energy: 1.4341417577269335
Energy: 1.3255167396169034
Energy: 1.3078851194433798
Energy: 1.3224344453418349
Energy: 1.447008024116227
Energy: 1.2343841114420977
Energy: 1.4341417577261202
Energy: 1.3255167396169034
Energy: 1.307885119442973
Energy: 1.3858661386529831
Energy: 1.2338062819155624
Energy: 1.4439755376077739
Energy: 1.3395180512277183
Energy: 1.3594441738964969
Energy: 1.2505574222155353
Energy: 1.3697690848513897
Energy: 1.2338062819151554
Energy: 1.4439755376077739
Energy: 1.3395180512273117
Energy: 1.4530585887063243
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Energy: 1.289320018541493
Energy: 1.3622366192893414
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Energy: 1.2339962874452381
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Energy: 1.281487492159127
Energy: 1.445991523151673
Energy: 1.3611572283410969
Energy: 1.2400006236616645
Energy: 1.5369899131954745
Energy: 1.2705036027843493
Energy: 1.2814874921599402
Energy: 1.4459915231524858
Energy: 1.3611572283406903
Energy: 1.2400006236624779
Energy: 1.2811680891058972
Energy: 1.2817757212175414
Energy: 1.3428458187770926
Energy: 1.5416351951957679
Energy: 1.4049090815807403
Energy: 1.4179264657190622
Energy: 1.2811680891050838
Energy: 1.2817757212171346
Energy: 1.3428458187774992
Energy: 1.5416351951953613
Energy: 1.3434032760146353
Energy: 1.3016302516505507
Energy: 1.3946427935055954
Energy: 1.6168900019810226
Energy: 1.2371344286282158
Energy: 1.3633320187895777
Energy: 1.3434032760150418
Energy: 1.301630251650144
Energy: 1.3946427935060017
Energy: 1.6168900019810226
Energy: 1.353971147712377
Energy: 1.348439174021508
Energy: 1.3484254468026997
Energy: 1.3539932212368544
Energy: 1.2621356984656884
Energy: 1.2621998951421725
Energy: 1.3539711477127838
Energy: 1.3484391740219146
Energy: 1.3484254468018864
Energy: 1.353993221237261
Energy: 1.6168438594076255
Energy: 1.394708522205773
Energy: 1.301651032725951
Energy: 1.343352767184104
Energy: 1.363444805250648
Energy: 1.2371234434847038
Energy: 1.6168438594080323
Energy: 1.394708522205773
Energy: 1.3016510327267643
Energy: 1.3433527671845107
Energy: 1.5415085608551564
Energy: 1.3428376186119895
Energy: 1.2817818049255503
Energy: 1.281160719932658
Energy: 1.2935561928119492
Energy: 1.4051704219195613
Energy: 1.5415085608547499
Energy: 1.3428376186119895
Energy: 1.2817818049255503
Energy: 1.2811607199330646
Energy: 1.2393922345024369
Energy: 1.3611899190156445
Energy: 1.4459915231520795
Energy: 1.2814643008933055
Energy: 1.270508216775381
Energy: 1.5369899131958815
Energy: 1.23939223450203
Energy: 1.361189919015238
Energy: 1.4459915231512661
Energy: 1.281464300893712
Energy: 1.4126742894537876
Energy: 1.390973433190292
Energy: 1.2340734014848134
Energy: 1.4531950691361135
Energy: 1.3622044295988618
Energy: 1.2891126720634458
Energy: 1.4126742894537876
Energy: 1.390973433190292
Energy: 1.2340734014844064
Energy: 1.4531950691361135

minimum gb energy = 1.2337256840780688 eV
minimum distance =  2.20199080030337 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.0661422252661812
Energy: 1.497318424089036
Energy: 1.1435972277207638
Energy: 1.6045737030477445
Energy: 1.1435882951130707
Energy: 1.497214257974862
Energy: 1.0661422252661812
Energy: 1.497318424089036
Energy: 1.1435972277207638
Energy: 1.430654373113411
Energy: 1.1434676970230468
Energy: 1.621967510039424
Energy: 1.1436981546207259
Energy: 1.5644473784113568
Energy: 1.6733474608623955
Energy: 1.3931747577827287
Energy: 1.1434676970230468
Energy: 1.430031949518859
Energy: 1.1436981546207259
Energy: 1.606046270480744
Energy: 1.1615429614382937
Energy: 1.0647054349599667
Energy: 1.565176234079418
Energy: 1.0644663119886364
Energy: 1.1752284287869157
Energy: 1.1434824561506116
Energy: 1.1615429614382937
Energy: 1.0647054349599667
Energy: 1.5651762340801527
Energy: 1.0644663119886364
Energy: 1.5651425777865444
Energy: 1.064677761334137
Energy: 1.1615195831449006
Energy: 1.1434837648660292
Energy: 1.175218958680106
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Energy: 1.1615195831456353
Energy: 1.1434837648660292
Energy: 1.1438224678925188
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Energy: 1.1435908487160038
Energy: 1.393118374893422
Energy: 1.6733686733743853
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Energy: 1.1438224678932203
Energy: 1.758243416340897
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Energy: 1.393118374893422
Energy: 1.1435882951130707
Energy: 1.497214257974862
Energy: 1.0661422252661812
Energy: 1.497318424088301
Energy: 1.1435972277207638
Energy: 1.496609588563044
Energy: 1.1435882951138057
Energy: 1.497214257974862
Energy: 1.0661422252661812
Energy: 1.497318424089036
Energy: 1.6733474608623955
Energy: 1.3931747577834637
Energy: 1.1434676970230468
Energy: 1.621967510038689
Energy: 1.1436981546207259
Energy: 1.5139510790044046
Energy: 1.6733474608631302
Energy: 1.3931747577834637
Energy: 1.1434676970230468
Energy: 1.5806593296684424
Energy: 1.1752284287869157
Energy: 1.1434824561498766
Energy: 1.1615429614382937
Energy: 1.0647054349599667
Energy: 1.5651762340801527
Energy: 1.0644663119886364
Energy: 1.1752284287869157
Energy: 1.1434824561506116
Energy: 1.1615429614382937
Energy: 1.0647054349599667
Energy: 1.175218958680106
Energy: 1.0644502000241856
Energy: 1.5651425777872792
Energy: 1.0646777613348721
Energy: 1.1615195831449006
Energy: 1.1434837648660292
Energy: 1.175218958680106
Energy: 1.0644502000241856
Energy: 1.5651425777872792
Energy: 1.064677761334137
Energy: 1.6733686733743853
Energy: 1.3975347983322597
Energy: 1.1438224678925188
Energy: 1.672701742629881
Energy: 1.1435908487160038
Energy: 1.393118374893422
Energy: 1.6733686733743853
Energy: 1.3428375547522462
Energy: 1.1438224678932203
Energy: 1.6727017426291462
Energy: 1.1435972277207638
Energy: 1.6146915085878484
Energy: 1.1435882951130707
Energy: 1.497214257974862
Energy: 1.0661422252661812
Energy: 1.497318424088301
Energy: 1.1435972277207638
Energy: 1.4306550952283523
Energy: 1.1435882951138057
Energy: 1.497214257974862
Energy: 1.1436981546207259
Energy: 1.5139510790044046
Energy: 1.6733474608623955
Energy: 1.3931747577834637
Energy: 1.1434676970230468
Energy: 1.6925596070298201
Energy: 1.1436981546207259
Energy: 1.606046270481479
Energy: 1.6733474608623955
Energy: 1.3931747577834637
Energy: 1.5651762340801527
Energy: 1.0644663119886364
Energy: 1.1752284287869157
Energy: 1.1434824561498766
Energy: 1.1615429614382937
Energy: 1.0647054349599667
Energy: 1.5651762340801527
Energy: 1.0644663119886364
Energy: 1.1752284287869157
Energy: 1.1434824561506116
Energy: 1.1615195831456353
Energy: 1.143483764865294
Energy: 1.175218958680106
Energy: 1.0644502000234506
Energy: 1.5651425777865444
Energy: 1.0646777613348721
Energy: 1.1615195831449006
Energy: 1.1434837648660292
Energy: 1.175218958680106
Energy: 1.0644502000241856
Energy: 1.1435908487160038
Energy: 1.393118374893422
Energy: 1.6733686733743853
Energy: 1.3428375547522462
Energy: 1.1438224678925188
Energy: 1.4685551303503026
Energy: 1.1435908487160038
Energy: 1.393118374893422
Energy: 1.6733686733743853
Energy: 1.3428375547522462
Energy: 1.0661422252661812
Energy: 1.497318424089036
Energy: 1.1435972277207638
Energy: 1.4688889572105084
Energy: 1.1435882951130707
Energy: 1.497214257974862
Energy: 1.066142225265446
Energy: 1.497318424088301
Energy: 1.1435972277207638
Energy: 1.4688889572105084
Energy: 1.1434676970230468
Energy: 1.7650813761299289
Energy: 1.1436981546207259
Energy: 1.606046270480744
Energy: 1.6733474608623955
Energy: 1.3931747577834637
Energy: 1.1434676970230468
Energy: 1.7650813761291941
Energy: 1.1436981546207259
Energy: 1.606046270481479
Energy: 1.1615429614382937
Energy: 1.0647054349599667
Energy: 1.5651762340801527
Energy: 1.0644663119893714
Energy: 1.1752284287869157
Energy: 1.1434824561498766
Energy: 1.1615429614382937
Energy: 1.0647054349599667
Energy: 1.565176234079418
Energy: 1.0644663119886364
Energy: 1.5651425777872792
Energy: 1.064677761334137
Energy: 1.1615195831456353
Energy: 1.143483764865294
Energy: 1.175218958680106
Energy: 1.0644502000234506
Energy: 1.5651425777872792
Energy: 1.064677761334137
Energy: 1.1615195831449006
Energy: 1.1434837648660292
Energy: 1.1438224678932203
Energy: 1.4685551303510374
Energy: 1.1435908487160038
Energy: 1.393118374893422
Energy: 1.6733686733743853
Energy: 1.3428375547522462
Energy: 1.1438224678932203
Energy: 1.4685551303503026
Energy: 1.1435908487160038
Energy: 1.393118374893422
Energy: 1.1435882951138057
Energy: 1.497214257974862
Energy: 1.0661422252661812
Energy: 1.497318424089036
Energy: 1.1435972277207638
Energy: 1.4688889572105084
Energy: 1.1435882951130707
Energy: 1.497214257974862
Energy: 1.0661422252661812
Energy: 1.497318424089036
Energy: 1.6733474608631302
Energy: 1.3931747577834637
Energy: 1.1434676970230468
Energy: 1.7650813761299289
Energy: 1.1436981546207259
Energy: 1.606046270480744
Energy: 1.6733474608623955
Energy: 1.3931747577841984
Energy: 1.1434676970230468
Energy: 1.7650813761291941

minimum gb energy = 1.0644502000234506 eV
minimum distance =  2.25813555798018 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.430629110514675
Energy: 1.345956270857876
Energy: 1.2760854628933387
Energy: 1.581881491053249
Energy: 1.281301730271306
Energy: 1.3614289720003845
Energy: 1.4306291105136753
Energy: 1.3459562708582091
Energy: 1.2760854628933387
Energy: 1.5818814910539154
Energy: 1.3652327862084552
Energy: 1.3557301447217236
Energy: 1.276063888272932
Energy: 1.2852674647099656
Energy: 1.2806489105083732
Energy: 1.2305721402657235
Energy: 1.3652327862081222
Energy: 1.3557301447217236
Energy: 1.2760638882712665
Energy: 1.2852674647119646
Energy: 1.3337453732545277
Energy: 1.2159254424632633
Energy: 1.3691664751027575
Energy: 1.2899807863515318
Energy: 1.3469103840230443
Energy: 1.3833290694217246
Energy: 1.3337453732541946
Energy: 1.2159254424632633
Energy: 1.3691664751024244
Energy: 1.2899807863511987
Energy: 1.3527150310422187
Energy: 1.21718704877971
Energy: 1.2822976838575164
Energy: 1.305862759025664
Energy: 1.3431053794980383
Energy: 1.2360475727555953
Energy: 1.3527150310418858
Energy: 1.21718704877971
Energy: 1.2822976838578495
Energy: 1.3058627590282985
Energy: 1.2469802722539753
Energy: 1.3919280062982369
Energy: 1.2229381605239695
Energy: 1.3768659314606695
Energy: 1.2708972927557176
Energy: 1.2280943535031108
Energy: 1.2469802722523098
Energy: 1.3815776126203807
Energy: 1.2229381605259684
Energy: 1.3768659314626686
Energy: 1.2471787211932404
Energy: 1.365516171866677
Energy: 1.2624999333470588
Energy: 1.3099279140212143
Energy: 1.2835164946594153
Energy: 1.3976403189252395
Energy: 1.2471787211905754
Energy: 1.365516171866677
Energy: 1.2624999333477251
Energy: 1.3099279140202147
Energy: 1.3015397140645129
Energy: 1.206504147878109
Energy: 1.2262135685943683
Energy: 1.3176714204283824
Energy: 1.3154316379195115
Energy: 1.2869568037165662
Energy: 1.301539714064846
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Energy: 1.2262135685950346
Energy: 1.3176714204297149
Energy: 1.346174109310972
Energy: 1.2258968592162367
Energy: 1.2748350086591238
Energy: 1.3152159804185752
Energy: 1.5674403962910015
Energy: 1.2874923948071326
Energy: 1.3461741093099726
Energy: 1.2258968592162367
Energy: 1.2748350086591238
Energy: 1.3152159804192416
Energy: 1.2663807402226495
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Energy: 1.3874667095224036
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Energy: 1.2663807402219829
Energy: 1.3518282052429043
Energy: 1.3874667095214042
Energy: 1.2736511102950154
Energy: 1.341053028702852
Energy: 1.266224324111707
Energy: 1.2193864650734567
Energy: 1.3566909883797735
Energy: 1.2767868792087331
Energy: 1.3503252794969405
Energy: 1.3410530287045177
Energy: 1.2662243241110407
Energy: 1.2193864650744561
Energy: 1.3566909883797735
Energy: 1.2469133152822127
Energy: 1.3388689782903036
Energy: 1.237241515364729
Energy: 1.400744159934813
Energy: 1.296608127466883
Energy: 1.2894470248864724
Energy: 1.2469133152815466
Energy: 1.3388689782899705
Energy: 1.2372415153630634
Energy: 1.4007441599358121
Energy: 1.248536717143728
Energy: 1.2636208995149523
Energy: 1.3811800956232991
Energy: 1.2177680416331347
Energy: 1.3984263640403818
Energy: 1.2771419277750595
Energy: 1.2485367171460604
Energy: 1.2636208995159517
Energy: 1.3811800956216334
Energy: 1.2177680416328016
Energy: 1.3980339023521524
Energy: 1.2495216230158677
Energy: 1.3855664332407334
Energy: 1.247348462192407
Energy: 1.237514130491499
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Energy: 1.398033902354151
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Energy: 1.3855664332410664
Energy: 1.2473484621930733
Energy: 1.305606311220755
Energy: 1.4010719826374984
Energy: 1.2173724889861368
Energy: 1.3485369372999123
Energy: 1.3266307205381813
Energy: 1.2942011595479659
Energy: 1.305606311220755
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Energy: 1.217372488987136
Energy: 1.3485369372995795
Energy: 1.2895494279914295
Energy: 1.2620654180372586
Energy: 1.2496178640475093
Energy: 1.266835091351403
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Energy: 1.5134208338930837
Energy: 1.2895494279930952
Energy: 1.2620654180359256
Energy: 1.249617864047176
Energy: 1.2668350913530688
Energy: 1.2194122632334392
Energy: 1.2836002738142847
Energy: 1.3668012932877787
Energy: 1.3166834155211447
Energy: 1.2570160150117566
Energy: 1.2804207275666954
Energy: 1.219412263231107
Energy: 1.283600273815617
Energy: 1.3668012932871123
Energy: 1.316683415521478
Energy: 1.3149726922948204
Energy: 1.3193016746944317
Energy: 1.2194331984281284
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Energy: 1.3708060877116282
Energy: 1.2848510417476082
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Energy: 1.2943204121560492
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Energy: 1.3525657507360163
Energy: 1.3198958892974808
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Energy: 1.3396966184450243
Energy: 1.1973007319631577
Energy: 1.2205114056350632
Energy: 1.2818339615087218
Energy: 1.2659284126849029
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Energy: 1.2818339615077223
Energy: 1.2659284126859025
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Energy: 1.3286710395266514
Energy: 1.4166301823567484
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Energy: 1.3030147316340408
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Energy: 1.3251327007018883
Energy: 1.2173923300368523
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Energy: 1.2135489932152728
Energy: 1.3030147316340408
Energy: 1.2660344656052098
Energy: 1.3251327007018883
Energy: 1.2173923300371856
Energy: 1.3304894761741368
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Energy: 1.2635887169620361
Energy: 1.3304894761758024
Energy: 1.276793205132146
Energy: 1.251892229046124
Energy: 1.2471876522053913
Energy: 1.3189223918675677
Energy: 1.2635969451939553
Energy: 1.2863022796059835
Energy: 1.3120772073216656
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Energy: 1.2230080937765135
Energy: 1.318922391865236
Energy: 1.2635969451932887
Energy: 1.2863022796069827
Energy: 1.3120772073173348
Energy: 1.2726421065816615
Energy: 1.4773125150980786
Energy: 1.3130027204186272
Energy: 1.2446223564989276
Energy: 1.2226927089960287
Energy: 1.357075639615066
Energy: 1.2726421065803286
Energy: 1.4773125150994109
Energy: 1.3130027204186272
Energy: 1.24462235650026
Energy: 1.273123025735108
Energy: 1.3009970411122238
Energy: 1.2374340146711011
Energy: 1.2691777339721946
Energy: 1.2289078022250473
Energy: 1.3098316207173766
Energy: 1.273123025735108
Energy: 1.3009970411115575
Energy: 1.2374340146724336
Energy: 1.2691777339735273
Energy: 1.3234096372109814
Energy: 1.2634482267114362
Energy: 1.3025377629893615
Energy: 1.3157648812271987
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Energy: 1.2207622840874424
Energy: 1.3234096372109814
Energy: 1.2634482267107698
Energy: 1.3025377629890282
Energy: 1.3157648812261995
Energy: 1.3195565614979778
Energy: 1.3042729347416815
Energy: 1.3706434543418282
Energy: 1.2664939003929359
Energy: 1.3396489255297028
Energy: 1.2196442378436174
Energy: 1.3195565614979778
Energy: 1.3042729347413484
Energy: 1.3706434543424946
Energy: 1.2664939003922697
Energy: 1.2077643146727923
Energy: 1.3013037983711164
Energy: 1.2719416257648006
Energy: 1.2583519371563558
Energy: 1.2485743741834876
Energy: 1.4054647864359033
Energy: 1.2077643146737918
Energy: 1.3013037983707831
Energy: 1.2719416257641343
Energy: 1.2583519371593541
Energy: 1.423092455880843
Energy: 1.313601308588797
Energy: 1.2900520865304566
Energy: 1.46176229050051
Energy: 1.2487578394836625
Energy: 1.309868906087823
Energy: 1.42309245588051
Energy: 1.3136013085891305
Energy: 1.2900520865294571
Energy: 1.4617622905001768
Energy: 1.2305001460096556
Energy: 1.420756023740041
Energy: 1.2941367863091395
Energy: 1.2781573528925203
Energy: 1.4018131468100865
Energy: 1.312063544041794
Energy: 1.2305001460093226
Energy: 1.420756023740374
Energy: 1.29413678630814
Energy: 1.2781573528918542
Energy: 1.3306295861633013
Energy: 1.2665600182927967
Energy: 1.5282054540933883
Energy: 1.2819675823796344
Energy: 1.2830671157380844
Energy: 1.424155004589885
Energy: 1.3306295861633013
Energy: 1.2665600182911314
Energy: 1.506508207897977
Energy: 1.281967582380634
Energy: 1.3380468562844496
Energy: 1.2661301138354448
Energy: 1.2694250728425995
Energy: 1.2207765517837306
Energy: 1.281591514633943
Energy: 1.2897719085899992
Energy: 1.338046856284783
Energy: 1.266130113837444
Energy: 1.2694250728449314
Energy: 1.2207765517843971
Energy: 1.2249939182747043
Energy: 1.3354960426832858
Energy: 1.2849129930720125
Energy: 1.3344726806183709
Energy: 1.338324221581467
Energy: 1.289060744476483
Energy: 1.2249939182763703
Energy: 1.3354960426826195
Energy: 1.2849129930733452
Energy: 1.3344726806197031
Energy: 1.2400506024110076
Energy: 1.3752797722511525
Energy: 1.320649119361832
Energy: 1.3021458281171205
Energy: 1.2492579804174222
Energy: 1.2518088502614557
Energy: 1.2400506024110076
Energy: 1.3752797722524848
Energy: 1.3206491193621652
Energy: 1.3021458281171205
Energy: 1.307798192758165
Energy: 1.20404621959056
Energy: 1.3161369968171661
Energy: 1.2212556915693038
Energy: 1.2732260331492102
Energy: 1.2667406660871614
Energy: 1.3077981927554998
Energy: 1.2040462195915593
Energy: 1.3161369968164998
Energy: 1.2212556915699704
Energy: 1.3699826790686305
Energy: 1.2514935765986526
Energy: 1.2417110628033885
Energy: 1.3205932944868284
Energy: 1.4861459064254203
Energy: 1.2659691215861915
Energy: 1.3699826790692968
Energy: 1.2514935766003183
Energy: 1.2417110628033885
Energy: 1.3205932944858292
Energy: 1.2188828842656394
Energy: 1.2729813136827803
Energy: 1.4010720547181188
Energy: 1.302542377032874
Energy: 1.2974652456021598
Energy: 1.426022719131128
Energy: 1.2188828842659725
Energy: 1.2729813136814476
Energy: 1.4010720547181188
Energy: 1.3025423770325406
Energy: 1.248828100639859
Energy: 1.2752851449458482
Energy: 1.2637008452236622
Energy: 1.4435002300110185
Energy: 1.2894201239699516
Energy: 1.3042906671235888
Energy: 1.2488281006381932
Energy: 1.2752851449465146
Energy: 1.2637008452256613
Energy: 1.4435002300133501
Energy: 1.296923950154165
Energy: 1.3819757204460088
Energy: 1.2494853023417072
Energy: 1.2434675083804534
Energy: 1.271718275181024
Energy: 1.3007235097644694
Energy: 1.2969239501538319
Energy: 1.3819757204453424
Energy: 1.249485302343373
Energy: 1.2434675083804534
Energy: 1.2377193418741392
Energy: 1.2193563426346392
Energy: 1.376127519344467
Energy: 1.2724570497055316
Energy: 1.3585020784520092
Energy: 1.3074402609944409
Energy: 1.2377193418761385
Energy: 1.2193563426326406
Energy: 1.3761275193424682
Energy: 1.272457049706531
Energy: 1.3547176344191643
Energy: 1.2373164857217736
Energy: 1.399585592249719
Energy: 1.315847518973729
Energy: 1.2824073146070436
Energy: 1.2641110097498838
Energy: 1.354717634417499
Energy: 1.2373164857231063
Energy: 1.3995855922490525
Energy: 1.3158475189743954
Energy: 1.3151617497371946
Energy: 1.3001795184688874
Energy: 1.2065854277686803
Energy: 1.2579768957466686
Energy: 1.2422075807308408
Energy: 1.3013021906067352
Energy: 1.3151617497355286
Energy: 1.3001795184678875
Energy: 1.2065854277693466
Energy: 1.2579768957460025
Energy: 1.273502961906882
Energy: 1.365673808612083
Energy: 1.2193452315493962
Energy: 1.2664018993648343
Energy: 1.2975163940098409
Energy: 1.4085830820281466
Energy: 1.2735029619058826
Energy: 1.3656738086140816
Energy: 1.2193452315497293
Energy: 1.2664018993664699
Energy: 1.3191561947326822
Energy: 1.2486969616773411
Energy: 1.2833124418119672
Energy: 1.3841493109631071
Energy: 1.287777227915109
Energy: 1.2712035494972014
Energy: 1.3191561947323491
Energy: 1.2486969616780075
Energy: 1.2833124418119672
Energy: 1.3841493109634402
Energy: 1.333385952237102
Energy: 1.2633608386395057
Energy: 1.2664869783497634
Energy: 1.247218116134943
Energy: 1.2892152254767975
Energy: 1.2894059787350882
Energy: 1.3333859522357696
Energy: 1.2633608386408381
Energy: 1.2664869783500965
Energy: 1.2472181161339737
Energy: 1.303796985034921
Energy: 1.3098996830646485
Energy: 1.279524203969436
Energy: 1.2180544033111373
Energy: 1.393481994740174
Energy: 1.2593095538730612
Energy: 1.3037969850342546
Energy: 1.3098996830649814
Energy: 1.2795242039701022
Energy: 1.2180544033091383
Energy: 1.3058530821549503
Energy: 1.2308865544035434
Energy: 1.2496670893276625
Energy: 1.4112029567957414
Energy: 1.2559921631197661
Energy: 1.4318684960799364
Energy: 1.3058530821552836
Energy: 1.2308865544018779
Energy: 1.2496670893266628
Energy: 1.4112029567957414
Energy: 1.222139563904461
Energy: 1.3478437042274531
Energy: 1.2172819597723064
Energy: 1.261491058808581
Energy: 1.2660634203129104
Energy: 1.2814652595333007
Energy: 1.2221395639034613
Energy: 1.347843704225121
Energy: 1.2172819597716402
Energy: 1.261491058807915
Energy: 1.321108874023763
Energy: 1.3191255825419883
Energy: 1.3667993417442896
Energy: 1.1991645468824792
Energy: 1.3279101882651934
Energy: 1.2095361135504519
Energy: 1.3211088740247625
Energy: 1.3191255825419883
Energy: 1.3667993417449558
Energy: 1.1991645468841452

minimum gb energy = 1.1973007319631577 eV
minimum distance =  2.27160088973783 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.197811437152017
Energy: 1.2800239921268344
Energy: 1.1786781340501182
Energy: 1.4588609135356272
Energy: 1.1787112094663068
Energy: 1.2799698442916563
Energy: 1.197811437150803
Energy: 1.2800239921268344
Energy: 1.1786781340513321
Energy: 1.4588609135356272
Energy: 1.2051520527460486
Energy: 1.730400526486084
Energy: 1.1779605146694878
Energy: 1.2009760959965798
Energy: 1.4748949709662087
Energy: 1.2296015326118583
Energy: 1.2051520527460486
Energy: 1.730400526486084
Energy: 1.1779605146694878
Energy: 1.2009760959990072
Energy: 1.1390454247641857
Energy: 1.1378931887694266
Energy: 1.1795307239624282
Energy: 1.1381403718518297
Energy: 1.3196342813587885
Energy: 1.2582787327484757
Energy: 1.139045424762972
Energy: 1.1378931887718542
Energy: 1.1795307239624282
Energy: 1.1381403718518297
Energy: 1.4767996074100735
Energy: 1.1366758904226972
Energy: 1.1778303941424602
Energy: 1.230118744028052
Energy: 1.178729520316677
Energy: 1.2291637080416118
Energy: 1.4767996074100735
Energy: 1.1366758904239107
Energy: 1.1778303941412465
Energy: 1.2301187440268384
Energy: 1.1758943402784403
Energy: 1.216059593720003
Energy: 1.1785157576802852
Energy: 1.1930742031088752
Energy: 1.2038677772958104
Energy: 1.1394945657972035
Energy: 1.175894340279654
Energy: 1.2089949750670053
Energy: 1.1785157576790715
Energy: 1.1930742031076615
Energy: 1.2038190763708048
Energy: 1.2341982487393142
Energy: 1.1814733925201357
Energy: 1.1990007814484793
Energy: 1.189785120871433
Energy: 1.1989398584275426
Energy: 1.2038190763695908
Energy: 1.2341982487405276
Energy: 1.1814733925201357
Energy: 1.199000781446052
Energy: 1.2931061950144673
Energy: 1.1380341940424257
Energy: 1.308388574885515
Energy: 1.2252442943085302
Energy: 1.178271641762931
Energy: 1.1380255795279615
Energy: 1.2931061950144673
Energy: 1.1380341940424257
Energy: 1.308388574886729
Energy: 1.2252442943073163
Energy: 1.1757869467969568
Energy: 1.1375408051811573
Energy: 1.5447643363412777
Energy: 1.230456884679993
Energy: 1.179009424425965
Energy: 1.1365269333214258
Energy: 1.1757869467957431
Energy: 1.1375408051823712
Energy: 1.544764336340064
Energy: 1.2304568846787793
Energy: 1.2035944775386882
Energy: 1.2251869130847473
Energy: 1.4793095552301097
Energy: 1.1972733192424287
Energy: 1.1785234234608672
Energy: 1.3899836659668696
Energy: 1.2035944775374745
Energy: 1.225186913085961
Energy: 1.4793095552313233
Energy: 1.1972733192436427
Energy: 1.1416458925172972
Energy: 1.1558204867912694
Energy: 1.1897476071698097
Energy: 1.1663790830493928
Energy: 1.178357857343079
Energy: 1.2805401525671862
Energy: 1.1416458925172972
Energy: 1.1558204867924828
Energy: 1.189747607168596
Energy: 1.1663790830493928
Energy: 1.1992243386738335
Energy: 1.225019952497054
Energy: 1.1784935720992906
Energy: 1.2281871939135314
Energy: 1.3136596284247297
Energy: 1.141323045857023
Energy: 1.1992243386726198
Energy: 1.225019952497054
Energy: 1.1784935720968632
Energy: 1.2281871939123175
Energy: 1.1444789650311924
Energy: 1.1374519777739813
Energy: 1.1796049920495708
Energy: 1.1365063811222258
Energy: 1.1800537123739012
Energy: 1.1375268552195996
Energy: 1.1444789650311924
Energy: 1.1374519777739813
Energy: 1.1796049920495708
Energy: 1.1365063811222258
Energy: 1.1994182623941307
Energy: 1.1412908086942855
Energy: 1.313659628423516
Energy: 1.2282092719632507
Energy: 1.1781898155502784
Energy: 1.225029335979492
Energy: 1.1994182623953444
Energy: 1.1412908086930715
Energy: 1.3136596284247297
Energy: 1.2282092719644646
Energy: 1.1604737794951943
Energy: 1.280201469840541
Energy: 1.178335693697103
Energy: 1.1661572868183812
Energy: 1.1817565887515202
Energy: 1.1557401189051644
Energy: 1.1604737794951943
Energy: 1.280201469840541
Energy: 1.178335693697103
Energy: 1.1661572868183812

minimum gb energy = 1.1365063811222258 eV
minimum distance =  2.26075272176475 Angstroms
sigma value = 33