Model name: model_name=MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_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=2.863645806908607
cohesive_energy=4.290547094411586
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: 0.014950823372431397
Energy: 0.015333059207228095
Energy: 0.015241301329078501
Energy: 1.526524602952135
Energy: 0.015241301010402072
Energy: 0.01533305503917392
Energy: 0.014950823372666988
Energy: 0.015333059832591976
Energy: 0.015241300937630552
Energy: 1.5265246029518997
Energy: 0.6970711303488768
Energy: 0.015698781882283776
Energy: 0.017128603266024948
Energy: 0.6927408549507746
Energy: 0.01712860326534435
Energy: 0.015702279742762067
Energy: 0.6970711303486412
Energy: 0.015701145600501062
Energy: 0.017128603265579946
Energy: 0.6927408549503296
Energy: 0.014950823372666988
Energy: 0.015333059375073774
Energy: 0.015241301138877832
Energy: 1.5265246029518997
Energy: 0.015241301038044778
Energy: 0.01533305840731728
Energy: 0.014950823372431397
Energy: 0.015333060136975869
Energy: 0.015241301155918935
Energy: 1.5265246029518997
Energy: 0.6970711303488768
Energy: 0.015699751353382717
Energy: 0.017128603266024948
Energy: 0.6927408549507746
Energy: 0.017128603265815535
Energy: 0.015700712574285576
Energy: 0.6970711303488768
Energy: 0.015700422476358843
Energy: 0.01712860326649613
Energy: 0.6927408549503296
Energy: 0.014950823372902579
Energy: 0.015333062201906977
Energy: 0.015241301275887232
Energy: 1.5265246029518997
Energy: 0.015241301239737062
Energy: 0.015333081503609958
Energy: 0.014950823372431397
Energy: 0.015333054632072244
Energy: 0.015241301187016977
Energy: 1.526524602952135
Energy: 0.6970711303491124
Energy: 0.015699318838086115
Energy: 0.017128603265815535
Energy: 0.6927408549507746
Energy: 0.017128603265579946
Energy: 0.015700229349543515
Energy: 0.6970711303488768
Energy: 0.01569895194162709
Energy: 0.01712860326626054
Energy: 0.6927408549503296
Energy: 0.014950823372666988
Energy: 0.015333064308720976
Energy: 0.01524130106843605
Energy: 1.5265246029518997
Energy: 0.01524130117248885
Energy: 0.01533306755967078
Energy: 0.014950823372431397
Energy: 0.01533306162512725
Energy: 0.015241301047704018
Energy: 1.526524602952371

minimum gb energy = 0.014950823372431397 eV
minimum distance =  2.3349688127779 Angstroms
sigma value = 3


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

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Energy: 1.2165730925333833
Energy: 1.265440757232472
Energy: 1.2327312801185852
Energy: 1.2653003759052166
Energy: 1.2165585531916034
Energy: 1.3731479004954261
Energy: 1.2165730925339477
Energy: 1.2654407572319077
Energy: 1.346427271909408
Energy: 1.2978424758385887
Energy: 1.2669167041349887
Energy: 1.2918175656286832
Energy: 1.296999529224405
Energy: 1.2643447288868486
Energy: 1.2553375302083252
Energy: 1.2978424758380243
Energy: 1.2669167041361176
Energy: 1.2918175656286832
Energy: 1.2969995292238408
Energy: 1.3002548809103451
Energy: 1.2400243501447346
Energy: 1.2240308774330642
Energy: 1.234332357120064
Energy: 1.23616310556327
Energy: 1.2180578455659314
Energy: 1.300254880909781
Energy: 1.2079453824584807
Energy: 1.2240308774325
Energy: 1.2343323571206282
Energy: 1.2407913758684213
Energy: 1.1970430986363105
Energy: 1.199361803386478
Energy: 1.2401705695985825
Energy: 1.199420977673671
Energy: 1.2685565063164743
Energy: 1.240791375870114
Energy: 1.1970430986363105
Energy: 1.1993618033870423
Energy: 1.2401705695974539
Energy: 1.2150797297818556
Energy: 1.2298535940419792
Energy: 1.245396117836201
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Energy: 1.1970158398816484
Energy: 1.235256349554522
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Energy: 1.2298535940425435
Energy: 1.2453961178356365
Energy: 1.2167889039124045
Energy: 1.2318425564987334
Energy: 1.226066469587783
Energy: 1.2298798490610392
Energy: 1.2379061216534917
Energy: 1.2377104299162935
Energy: 1.26813658749681
Energy: 1.254451652658489
Energy: 1.2260664695889114
Energy: 1.2298798490593466
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Energy: 1.2287960970147664
Energy: 1.199349910596211
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Energy: 1.2530341338551663
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Energy: 1.2287960970130736
Energy: 1.1993499105973395
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Energy: 1.2530341338551663
Energy: 1.318818678401775
Energy: 1.2659609747443035
Energy: 1.2699844890171976
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Energy: 1.3107472406701284
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Energy: 1.25323086915381
Energy: 1.2258427111308916
Energy: 1.2699120362615246
Energy: 1.291873273339626
Energy: 1.2553223557820803
Energy: 1.3171512448660434
Energy: 1.2672122875891623
Energy: 1.296985115532227
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Energy: 1.2918732733384972
Energy: 1.2553223557826445
Energy: 1.3171512448666076
Energy: 1.2463156516503624
Energy: 1.2612161316675872
Energy: 1.2352180293699955
Energy: 1.3134451700580738
Energy: 1.2681184161300076
Energy: 1.3475229663979225
Energy: 1.2170761450785268
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Energy: 1.2352180294314992
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Energy: 1.2170568488897995
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Energy: 1.2502830844202548
Energy: 1.2287821180204193
Energy: 1.2170568488897995
Energy: 1.2317503387296789
Energy: 1.1988816709653691
Energy: 1.209150795571317
Energy: 1.2260932222186267
Energy: 1.2079634825901682
Energy: 1.2297762847062172
Energy: 1.230078179667735
Energy: 1.269463123823752
Energy: 1.2295560496464544
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Energy: 1.207963482592938
Energy: 1.229776284707346
Energy: 1.2300781796688633
Energy: 1.2522612060664016
Energy: 1.294530871615988
Energy: 1.264061544752818
Energy: 1.1958811183536018
Energy: 1.2420673218841727
Energy: 1.2092258175912982
Energy: 1.2522612060658371
Energy: 1.2945308716148596
Energy: 1.2640615447516899
Energy: 1.1958811183558586
Energy: 1.3654226636294606
Energy: 1.2346547571391036
Energy: 1.2612654721104901
Energy: 1.246529603122498
Energy: 1.347484607057271
Energy: 1.2272334262579954
Energy: 1.365422663630025
Energy: 1.234654757342184
Energy: 1.2612654721104901
Energy: 1.246529603120241
Energy: 1.3171061712815852
Energy: 1.2562841270020122
Energy: 1.2919618486224334
Energy: 1.2696308224462407
Energy: 1.2971362252174743
Energy: 1.2678793713745664
Energy: 1.3171061712827141
Energy: 1.2562841270048333
Energy: 1.2919618486229976
Energy: 1.2696308224456765
Energy: 1.2258752180735208
Energy: 1.2873839280617974
Energy: 1.2659930156291257
Energy: 1.1955986408763701
Energy: 1.3107602726123297
Energy: 1.195762479696346
Energy: 1.2258752180740853
Energy: 1.2696023900750892
Energy: 1.2659930156291257
Energy: 1.1955986408786272
Energy: 1.2529524441171784
Energy: 1.282875453695894
Energy: 1.199487839352658
Energy: 1.2287893391813343
Energy: 1.230865068794968
Energy: 1.209355441813801
Energy: 1.2529524441183069
Energy: 1.282875453695894
Energy: 1.199487839352658
Energy: 1.2287893391807698
Energy: 1.2378547262731776
Energy: 1.2298929031995203
Energy: 1.2260617839688719
Energy: 1.232524612985594
Energy: 1.2681567502171467
Energy: 1.2105888299667402
Energy: 1.2378547262726134
Energy: 1.2298929031995203
Energy: 1.2260617839700003
Energy: 1.2325246129844656
Energy: 1.2167749287256457
Energy: 1.2455486639333118
Energy: 1.2300483562374351
Energy: 1.2150413026553248
Energy: 1.2352563495533935
Energy: 1.1972057885759397
Energy: 1.2167749287262102
Energy: 1.2455486639327475
Energy: 1.230048356239128
Energy: 1.2150413026564533
Energy: 1.24044060557068
Energy: 1.1993173248977254
Energy: 1.1970547335099009
Energy: 1.2408392512763236
Energy: 1.2092033469852361
Energy: 1.199302392159124
Energy: 1.2404406055701156
Energy: 1.1993173248988538
Energy: 1.1970547335099009
Energy: 1.2408392512757591
Energy: 1.2343323571206282
Energy: 1.2239270560073832
Energy: 1.2171401233739716
Energy: 1.3002689761977255
Energy: 1.2103232380563038
Energy: 1.235603683368263
Energy: 1.2343323571194995
Energy: 1.2239270560068187
Energy: 1.2171401233745356
Energy: 1.3002689761965969
Energy: 1.2970067756718673
Energy: 1.2917781534118236
Energy: 1.2672241353649074
Energy: 1.2978951300975123
Energy: 1.2552832605746682
Energy: 1.2643292177630894
Energy: 1.2970067756707386
Energy: 1.2917781534123878
Energy: 1.2672241353632143
Energy: 1.2978951300975123
Energy: 1.3467049558162736
Energy: 1.2653003759063453
Energy: 1.2165585531921677
Energy: 1.3731479004942975
Energy: 1.216573092534512
Energy: 1.265440757232472
Energy: 1.2327312767266982
Energy: 1.2653003759063453
Energy: 1.2165585531910392
Energy: 1.3731479004954261
Energy: 1.2969995292227123
Energy: 1.2643447288874128
Energy: 1.2553375302077607
Energy: 1.29784247583746
Energy: 1.2669167041361176
Energy: 1.2918175656298116
Energy: 1.2969995292227123
Energy: 1.264344728887977
Energy: 1.2553375302066325
Energy: 1.2978424758363316
Energy: 1.2343323571206282
Energy: 1.2361631055643985
Energy: 1.2180578455670596
Energy: 1.300254880909781
Energy: 1.2122227816511246
Energy: 1.2240308774325
Energy: 1.2343323571206282
Energy: 1.236163105565527
Energy: 1.2180578455659314
Energy: 1.3002548809092165
Energy: 1.2401705695985825
Energy: 1.199420977675928
Energy: 1.2685565063181667
Energy: 1.24079137586955
Energy: 1.197043098637439
Energy: 1.199361803388735
Energy: 1.2401705695985825
Energy: 1.199420977677621
Energy: 1.2685565063159099
Energy: 1.2407913758689855

minimum gb energy = 1.1955986408763701 eV
minimum distance =  2.26268247035707 Angstroms
sigma value = 75


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

Energy: 1.4830299482332086
Energy: 1.3027891461513963
Energy: 1.3124649720513117
Energy: 1.2917404936787635
Energy: 1.2446387622387294
Energy: 1.3022112291524515
Energy: 1.4830299482340346
Energy: 1.302789146151121
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Energy: 1.2968391499566512
Energy: 1.2181559043379473
Energy: 1.2658660500805659
Energy: 1.2141825357133968
Energy: 1.3521017818990784
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Energy: 1.3441067263016258
Energy: 1.3077524502889515
Energy: 1.2382683503642453
Energy: 1.2953519442924244
Energy: 1.2825969332420852
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Energy: 1.22846445432324
Energy: 1.2859965986330768
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Energy: 1.208904865177236
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Energy: 1.2859965986322508
Energy: 1.262767576269337
Energy: 1.2163436753455321
Energy: 1.208453017732811
Energy: 1.1935083025212703
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Energy: 1.2565145267551159
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Energy: 1.2569217097053342
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Energy: 1.245245194237646
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Energy: 1.198042960101976
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Energy: 1.2326729039382731
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Energy: 1.2326729039377224
Energy: 1.3126938791412959
Energy: 1.3853663921887815
Energy: 1.3264402970469962
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Energy: 1.300117253690127
Energy: 1.3927615886000653
Energy: 1.3308109650713122
Energy: 1.1936175256081827
Energy: 1.2849370327954726
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minimum gb energy = 1.1843728230499913 eV
minimum distance =  2.24109317558221 Angstroms
sigma value = 105


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

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Energy: 1.3150388618032205
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Energy: 1.4642013199795028
Energy: 1.0995468224930518
Energy: 1.4736798422069435
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Energy: 1.0659066408319398
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Energy: 1.4736662584676072
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Energy: 1.152313722125173
Energy: 1.4736662584688494
Energy: 1.2433096671262884
Energy: 1.28627408659795
Energy: 1.3177891125664252
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Energy: 1.2411565085883929
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Energy: 1.28627408659795
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Energy: 1.1208307287003259
Energy: 1.2411565085896354
Energy: 1.155247312928497
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Energy: 1.3993059380481798
Energy: 1.178125434633841
Energy: 1.2816223252638859
Energy: 1.2681398056883328
Energy: 1.1552473129269436
Energy: 1.2324983776893297
Energy: 1.3993059380481798
Energy: 1.178125434633841
Energy: 1.3391026574923905
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Energy: 1.3153949056500644
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Energy: 1.3145550188858968
Energy: 1.1290486634855008
Energy: 1.3391026574927012
Energy: 1.101382093668513
Energy: 1.3153949056497538
Energy: 1.1163574743855527
Energy: 1.1715908610685193
Energy: 1.1014797033361077
Energy: 1.142069875883367
Energy: 1.2433028291122703
Energy: 1.4739754900315387
Energy: 1.0996702909455376
Energy: 1.1715908610706933
Energy: 1.1014797033361077
Energy: 1.142069875884299
Energy: 1.243302829112581
Energy: 1.2677836227724475
Energy: 1.2121469986557678
Energy: 1.0995442499112134
Energy: 1.1411190802752718
Energy: 1.2677860058978523
Energy: 1.2678567368340294
Energy: 1.2677836227715156
Energy: 1.2121469986542148
Energy: 1.0995442499115242
Energy: 1.141119080276514
Energy: 1.2331602420002425
Energy: 1.340813006572604
Energy: 1.2907522716619113
Energy: 1.3157863489193296
Energy: 1.1693406744825214
Energy: 1.3152232786461164
Energy: 1.233160241997447
Energy: 1.3408130065741575
Energy: 1.2907522716619113
Energy: 1.3157863489196402

minimum gb energy = 1.0659066408319398 eV
minimum distance =  2.24482981282796 Angstroms
sigma value = 165


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

Energy: 1.2798722933264939
Energy: 1.3551289143023366
Energy: 1.1981734832750777
Energy: 1.214854082501132
Energy: 1.1980487131085882
Energy: 1.3551297870769694
Energy: 1.2798722933264939
Energy: 1.3551289143044694
Energy: 1.1981734832740114
Energy: 1.2584297196788787
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Energy: 1.2180249838763517
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Energy: 1.2240782344005974
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Energy: 1.1881082911947964
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Energy: 1.2558603038950544
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Energy: 1.2558603038950544
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Energy: 1.21448525075481
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Energy: 1.2123544103382509
Energy: 1.2151727850032543
Energy: 1.1848461220929198
Energy: 1.2144283287553466
Energy: 1.21448525075481
Energy: 1.2095406979816858
Energy: 1.2123544103371846
Energy: 1.2151727850032543
Energy: 1.223955994498197
Energy: 1.2794497646311973
Energy: 1.3745107818215256
Energy: 1.2144508044107762
Energy: 1.2793430918118744
Energy: 1.2163215860304701
Energy: 1.2239559944992635
Energy: 1.2794497646311973
Energy: 1.3745107818204594
Energy: 1.2144508044118425
Energy: 1.2135628641097191
Energy: 1.1969754206759524
Energy: 1.2180500964475691
Energy: 1.189746174178244
Energy: 1.2149182685161468
Energy: 1.1848284808004124
Energy: 1.2135628641097191
Energy: 1.1969754206759524
Energy: 1.2180500964486354
Energy: 1.189746174178244
Energy: 1.2778196664349437
Energy: 1.1980487131075217
Energy: 1.3551297870769694
Energy: 1.2798722933264939
Energy: 1.3551289143023366
Energy: 1.1981734832750777
Energy: 1.277819666387007
Energy: 1.1980487131085882
Energy: 1.3551297870780354
Energy: 1.2798722933264939

minimum gb energy = 1.1845483433820674 eV
minimum distance =  2.27581154250332 Angstroms
sigma value = 41


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

Energy: 1.2457278108730914
Energy: 1.2706742007306442
Energy: 1.1159959276995828
Energy: 1.2930326246318595
Energy: 1.1152060671074262
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Energy: 1.1497897500211707
Energy: 1.1538130378013418
Energy: 1.1531776894105583
Energy: 1.2024440469938955
Energy: 1.166270872384154
Energy: 1.1561797661648177
Energy: 1.2517902151905422
Energy: 1.1538130378005143
Energy: 1.1531776894109718
Energy: 1.2024440469926543
Energy: 1.1662708723837403
Energy: 1.1961195654363006
Energy: 1.123945503397054
Energy: 1.1972720843482236
Energy: 1.135903980181891
Energy: 1.1591783401204456
Energy: 1.1180546652127674
Energy: 1.1961195654354733
Energy: 1.1239455033941579
Energy: 1.1972720843482236
Energy: 1.1359039801794086
Energy: 1.1200779614975853
Energy: 1.1224353187072462
Energy: 1.2344564641531022
Energy: 1.116026488479629
Energy: 1.3250808416460484
Energy: 1.1162724935361523
Energy: 1.120077961496758
Energy: 1.1224353187084875
Energy: 1.234456464154757
Energy: 1.116026488479629
Energy: 1.1526506935839773
Energy: 1.1231587992089946
Energy: 1.2233138605537677
Energy: 1.1417867952839438
Energy: 1.148494246637103
Energy: 1.1352971360915423
Energy: 1.1526506935848047
Energy: 1.123158799209822
Energy: 1.2233138605537677
Energy: 1.1417867952868401
Energy: 1.2075275042704143
Energy: 1.1534438485124077
Energy: 1.1540190534433246
Energy: 1.2430221809105937
Energy: 1.1749391405329308
Energy: 1.1533065006248548
Energy: 1.2075275042675184
Energy: 1.15344384851158
Energy: 1.1540190534424972
Energy: 1.243022180911421
Energy: 1.1171164052179072
Energy: 1.1966089158516322
Energy: 1.1841330317463465
Energy: 1.1532254215173974
Energy: 1.1345646755611194
Energy: 1.157598807056258
Energy: 1.1171164052187346
Energy: 1.1966089158516322
Energy: 1.184133031745105
Energy: 1.1532254215149151
Energy: 1.1415632787838734
Energy: 1.1374165165617056
Energy: 1.1380172219495879
Energy: 1.2133571226903868
Energy: 1.1160513857198067
Energy: 1.2843659289557976
Energy: 1.1415632787842873
Energy: 1.1374165165592234
Energy: 1.138017221950829
Energy: 1.2133571226920414
Energy: 1.1332424654907818
Energy: 1.2427199984419626
Energy: 1.1378043242734401
Energy: 1.1564165652802474
Energy: 1.1171567103302193
Energy: 1.1591030479215758
Energy: 1.1332424654911954
Energy: 1.2427199984411352
Energy: 1.1378043242701303
Energy: 1.1564165652823164
Energy: 1.1333904892565296
Energy: 1.2444366672558689
Energy: 1.1539654654196092
Energy: 1.1539304779885635
Energy: 1.2451574529265468
Energy: 1.1512077284442435
Energy: 1.1333904892552886
Energy: 1.2444366672579374
Energy: 1.1539654654200229
Energy: 1.1539304779869086
Energy: 1.2123228031555948
Energy: 1.1417929662336126
Energy: 1.1975714000964914
Energy: 1.1467636152327068
Energy: 1.1530360471568621
Energy: 1.238383515820835
Energy: 1.21232280315394
Energy: 1.1417929662373363
Energy: 1.1975714000931819
Energy: 1.1467636152347753
Energy: 1.2967018922465325
Energy: 1.1415625273490957
Energy: 1.1214595694691256
Energy: 1.1215202270461306
Energy: 1.1544349683328274
Energy: 1.1618680893601792
Energy: 1.2967018922461189
Energy: 1.1415625273515781
Energy: 1.1214595694699532
Energy: 1.121520227045717
Energy: 1.2401732457669148
Energy: 1.1318565326266048
Energy: 1.2068269446776525
Energy: 1.1223611195918883
Energy: 1.1553513945614073
Energy: 1.207732525995371
Energy: 1.2401732457660872
Energy: 1.1318565326253636
Energy: 1.206826944676825
Energy: 1.1223611195947845

minimum gb energy = 1.0995381775481445 eV
minimum distance =  2.31205513587352 Angstroms
sigma value = 185


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

Energy: 1.2079147980431324
Energy: 1.166639172963718
Energy: 1.4131244255020676
Energy: 1.4852819601097682
Energy: 1.4133015776775568
Energy: 1.1637521020520247
Energy: 1.20791479804215
Energy: 1.1666391729612624
Energy: 1.4131244255015765
Energy: 1.4412478224907739
Energy: 1.450109863700433
Energy: 1.3546293086223486
Energy: 1.1780276186511713
Energy: 1.2076193958551222
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Energy: 1.1780276186506802
Energy: 1.207619395854631
Energy: 1.1587730479230687
Energy: 1.1934998179650087
Energy: 1.353203725428795
Energy: 1.419525103826414
Energy: 1.192222375283741
Energy: 1.177826344410133
Energy: 1.1587730479225775
Energy: 1.1934998179669734
Energy: 1.353203725428304
Energy: 1.4195251038244494
Energy: 1.3842912607663658
Energy: 1.1919439363047133
Energy: 1.2075643282035289
Energy: 1.2016713271353991
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Energy: 1.1987125155426017
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Energy: 1.2075643282025468
Energy: 1.201671327134417
Energy: 1.1951931736538508
Energy: 1.1786124084109728
Energy: 1.214928303565616
Energy: 1.4202064112721493
Energy: 1.428618228104268
Energy: 1.1405618998028546
Energy: 1.1951931736518862
Energy: 1.1786124084114638
Energy: 1.2149283035675804
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Energy: 1.28025518004422
Energy: 1.413082453807183
Energy: 1.3210842743704296
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Energy: 1.3641076976871438
Energy: 1.22442008863052
Energy: 1.2244195572596774
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Energy: 1.2244195572601684
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Energy: 1.1925716997165858
Energy: 1.4188297898118742
Energy: 1.2503109241484336
Energy: 1.1779494708895344
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Energy: 1.1451530631719502
Energy: 1.2015603572716738
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Energy: 1.4048443942068933
Energy: 1.1913954248555643
Energy: 1.1574001276516337
Energy: 1.2015603572702005
Energy: 1.2076256795810325
Energy: 1.1920314161039451
Energy: 1.4048443941941242
Energy: 1.4200435207493376
Energy: 1.4145067375031217
Energy: 1.1939241393243234
Energy: 1.1772244046270512
Energy: 1.1582219983220339
Energy: 1.1921115072262383
Energy: 1.420043520747864
Energy: 1.4145067374996838
Energy: 1.1939241393262878
Energy: 1.1772244046280333
Energy: 1.2077186376198294
Energy: 1.1784719367623588
Energy: 1.3254500091883836
Energy: 1.3567277207643313
Energy: 1.26965660023479
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Energy: 1.2077186376173739
Energy: 1.178471936763341
Energy: 1.3254500091888748
Energy: 1.3567277207628579
Energy: 1.4852819601107508
Energy: 1.4220122295711106
Energy: 1.1370662466162167
Energy: 1.2025286658020355
Energy: 1.1666391729651915
Energy: 1.4131244255030497
Energy: 1.4088239352186172
Energy: 1.4220122295750393
Energy: 1.187493130656844
Energy: 1.2025286658030179
Energy: 1.207619395854631
Energy: 1.1931091925051815
Energy: 1.2696566002352812
Energy: 1.3564349455111666
Energy: 1.3546293086218575
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Energy: 1.2076193958551222
Energy: 1.1931091925037083
Energy: 1.26965660023479
Energy: 1.3564349455121492
Energy: 1.419806136211677
Energy: 1.192222375283741
Energy: 1.1585986903618686
Energy: 1.1587730479230687
Energy: 1.1931939273168586
Energy: 1.4145067375021394
Energy: 1.419806136211677
Energy: 1.1922223752817764
Energy: 1.158598690362851
Energy: 1.1587730479220866
Energy: 1.2016192587081855
Energy: 1.1860312657251089
Energy: 1.1915325350901114
Energy: 1.3842862160868636
Energy: 1.1919985895915504
Energy: 1.2075266588888156
Energy: 1.2016192587072034
Energy: 1.1860312657251089
Energy: 1.1915325350896204
Energy: 1.3842862160873546
Energy: 1.4202064112716581
Energy: 1.4172308494716537
Energy: 1.140301742266622
Energy: 1.1951931736509038
Energy: 1.178612408411955
Energy: 1.2149283035670893
Energy: 1.420206411270676
Energy: 1.4172308494711625
Energy: 1.140301742266622
Energy: 1.1951931736489396
Energy: 1.22442008863052
Energy: 1.1737043741693718
Energy: 1.3103056285567
Energy: 1.2802551800432378
Energy: 1.413082453807183
Energy: 1.3210842743704296
Energy: 1.22442008863052
Energy: 1.1737043741664253
Energy: 1.310305628556209
Energy: 1.2802551800427464
Energy: 1.2175267609670781
Energy: 1.3105704681419
Energy: 1.1747684883176999
Energy: 1.2244265090963156
Energy: 1.3207946362106155
Energy: 1.412828286028798
Energy: 1.1925716997185505
Energy: 1.3105704681414088
Energy: 1.1747684883172087
Energy: 1.224426509097789
Energy: 1.1451530631709679
Energy: 1.1655391981461594
Energy: 1.4216844542437705
Energy: 1.4188297898108921
Energy: 1.1889270466809467
Energy: 1.1779574361013283
Energy: 1.1451530631719502
Energy: 1.1655391981446859
Energy: 1.4216844542427882
Energy: 1.418829789810401
Energy: 1.4048443942711855
Energy: 1.1913954248565464
Energy: 1.1574001276511425
Energy: 1.201560357269218
Energy: 1.2076256795820148
Energy: 1.1920314161039451
Energy: 1.4048443942456472
Energy: 1.1913954248570375
Energy: 1.157400127653107
Energy: 1.2015603572706914
Energy: 1.1740184988326823
Energy: 1.158221998323998
Energy: 1.1920703668274157
Energy: 1.4200435207483553
Energy: 1.3532037254278126
Energy: 1.1939241393253057
Energy: 1.1740184988331732
Energy: 1.1582219983225248
Energy: 1.1920703668274157
Energy: 1.4200435207493376
Energy: 1.4657619297149023
Energy: 1.276598037715312
Energy: 1.1932344949799105
Energy: 1.207901406475742
Energy: 1.1784528926438256
Energy: 1.4304575988302852
Energy: 1.4657619297144113
Energy: 1.2765980377118742
Energy: 1.1932344949784368
Energy: 1.207901406475251
Energy: 1.2079147980436236
Energy: 1.1666391729872916
Energy: 1.4131244255010853
Energy: 1.441247822470638
Energy: 1.4133015776760836
Energy: 1.1295846149899214
Energy: 1.2079147980416591
Energy: 1.1666391729848362
Energy: 1.4131244255020676
Energy: 1.4412478224765315
Energy: 1.4501098636984686
Energy: 1.3546293086228396
Energy: 1.1780276186506802
Energy: 1.2076193958551222
Energy: 1.1931091925046904
Energy: 1.2765980377128563
Energy: 1.4501098637009242
Energy: 1.3546293086223486
Energy: 1.1780276186511713
Energy: 1.207619395854631
Energy: 1.1587730479230687
Energy: 1.1934998179659908
Energy: 1.3532037254278126
Energy: 1.419525103825923
Energy: 1.192222375283741
Energy: 1.1778263444096417
Energy: 1.1587730479230687
Energy: 1.1934998179669734
Energy: 1.3532037254292861
Energy: 1.4195251038244494
Energy: 1.3842912607678393
Energy: 1.1919439363042221
Energy: 1.2075643282030377
Energy: 1.2016713271363813
Energy: 1.2286815343754307
Energy: 1.1987125155421108
Energy: 1.384291260767348
Energy: 1.1919439363037307
Energy: 1.2075643282030377
Energy: 1.2016713271339259
Energy: 1.1951931736494306
Energy: 1.1786124084114638
Energy: 1.2149283035661071
Energy: 1.420206411270676
Energy: 1.428618228104268
Energy: 1.1405618998072746
Energy: 1.195193173648493
Energy: 1.178612408411955
Energy: 1.2149283035675804
Energy: 1.420206411270676
Energy: 1.280255180045202
Energy: 1.413082453807183
Energy: 1.3210842743704296
Energy: 1.22442008863052
Energy: 1.1737409113797692
Energy: 1.309449801086422
Energy: 1.2802551800432378
Energy: 1.4130824538066917
Energy: 1.3210842743704296
Energy: 1.22442008863052
Energy: 1.2244195572596774
Energy: 1.3710723837666976
Energy: 1.413106956296469
Energy: 1.192571699717568
Energy: 1.310570468142882
Energy: 1.1747684883176999
Energy: 1.2244195572601684
Energy: 1.3210379496519307
Energy: 1.4131069562969603
Energy: 1.192571699717077
Energy: 1.4188297898118742
Energy: 1.2503109241479426
Energy: 1.1779494708890432
Energy: 1.1451530631709679
Energy: 1.165539198144195
Energy: 1.4216844542437705
Energy: 1.4188297898108921
Energy: 1.250310924149416
Energy: 1.1779494708900256
Energy: 1.1451530631699858
Energy: 1.2015603572711826
Energy: 1.2076256795810325
Energy: 1.1920314161034542
Energy: 1.404844394265292
Energy: 1.1913954248565464
Energy: 1.1574001276516337
Energy: 1.2015603572706914
Energy: 1.2076256795820148
Energy: 1.1920314161044363
Energy: 1.4048443942353335
Energy: 1.4200435207493376
Energy: 1.4145067375031217
Energy: 1.1939241393243234
Energy: 1.1772244046280333
Energy: 1.1582219983220339
Energy: 1.1921115072262383
Energy: 1.420043520747864
Energy: 1.414506737500175
Energy: 1.1939241393262878
Energy: 1.1772244046280333
Energy: 1.2077186376208118
Energy: 1.1784719367628498
Energy: 1.3254500091888748
Energy: 1.3567277207633488
Energy: 1.2696566002352812
Energy: 1.1935954440286418
Energy: 1.2077186376173739
Energy: 1.178471936763341
Energy: 1.325450009189857
Energy: 1.35672772076384

minimum gb energy = 1.1295846149899214 eV
minimum distance =  2.22171688964642 Angstroms
sigma value = 33


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

Energy: 1.2258987750078705
Energy: 1.2669913100670105
Energy: 1.3018801421300794
Energy: 1.3541675987915152
Energy: 1.2797276103992399
Energy: 1.2671716102117696
Energy: 1.2258987750084096
Energy: 1.2669913100675496
Energy: 1.3018801421300794
Energy: 1.3949104276971813
Energy: 1.3083739318779852
Energy: 1.3425920740699064
Energy: 1.1620773386821257
Energy: 1.2146956630899037
Energy: 1.2004868046295438
Energy: 1.265601961419072
Energy: 1.308373931878794
Energy: 1.3425920740704458
Energy: 1.162077338681317
Energy: 1.2146956630899037
Energy: 1.214882595863084
Energy: 1.1830905837931385
Energy: 1.203786626234246
Energy: 1.2833543707639241
Energy: 1.2008085969901683
Energy: 1.2045999858959466
Energy: 1.2148825958636231
Energy: 1.1830905837931385
Energy: 1.2037866262350547
Energy: 1.2833543707628459
Energy: 1.1838814292914357
Energy: 1.1832151058906528
Energy: 1.1981177247232426
Energy: 1.1710195801043075
Energy: 1.2746498512950732
Energy: 1.2831774620949659
Energy: 1.1838814292900877
Energy: 1.183215105889844
Energy: 1.198117724722703
Energy: 1.1710195801021506
Energy: 1.1982814795697736
Energy: 1.18350675138323
Energy: 1.1988730493149018
Energy: 1.3003654542136782
Energy: 1.2064153975771001
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Energy: 1.198281479569504
Energy: 1.1835067513834996
Energy: 1.198873049315711
Energy: 1.3003654542136782
Energy: 1.2883092777086977
Energy: 1.1833562166987448
Energy: 1.2172855161285554
Energy: 1.2049314330095164
Energy: 1.2011859776320912
Energy: 1.2864567486747716
Energy: 1.2883092777100458
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Energy: 1.2049314330111345
Energy: 1.1605982577320035
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Energy: 1.3593836200678382
Energy: 1.231670331927695
Energy: 1.2002911027035943
Energy: 1.2103803313096868
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Energy: 1.2877506920090032
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Energy: 1.2316703319279647
Energy: 1.2788377783787006
Energy: 1.2513296254334512
Energy: 1.2323664444849263
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Energy: 1.3121697346112817
Energy: 1.2086950944409225
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Energy: 1.2006273795727103
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Energy: 1.3678486993943966
Energy: 1.289473845668157
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Energy: 1.2182730246092284
Energy: 1.2006273795729796
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Energy: 1.3678486993954753
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Energy: 1.218662748438103
Energy: 1.192236747943028
Energy: 1.2144227492456157
Energy: 1.1828920834437606
Energy: 1.1725104398769128
Energy: 1.2834697825383778
Energy: 1.2186627484391814
Energy: 1.1922367479414104
Energy: 1.2144227492480424
Energy: 1.1828920834437606
Energy: 1.2887401367297868
Energy: 1.3299091226766913
Energy: 1.2936598521375284
Energy: 1.1832574786950125
Energy: 1.198046668833102
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Energy: 1.2887401367292475
Energy: 1.3299091226758821
Energy: 1.2936598521383373
Energy: 1.1832574786958212
Energy: 1.251385877715792
Energy: 1.1753771226539178
Energy: 1.1985598428221125
Energy: 1.1830795146195903
Energy: 1.185308710235543
Energy: 1.3214003689189158
Energy: 1.251385877716331
Energy: 1.1753771226517606
Energy: 1.1985598428204947
Energy: 1.183079514620399
Energy: 1.2010673108353358
Energy: 1.1614886807689093
Energy: 1.2882712419402702
Energy: 1.1832756102337838
Energy: 1.211511466924671
Energy: 1.2039147607929366
Energy: 1.2010673108361447
Energy: 1.1614886807694487
Energy: 1.2882712419410791
Energy: 1.1832756102340534
Energy: 1.2005063586723022
Energy: 1.2098351394897715
Energy: 1.1605133340600313
Energy: 1.288346807956397
Energy: 1.3129459538701214
Energy: 1.2498589173157386
Energy: 1.2005063586717633
Energy: 1.2098351394884235
Energy: 1.1605133340597615
Energy: 1.2883468079590934
Energy: 1.2893882760747035
Energy: 1.2085057141111466
Energy: 1.3021130612991036
Energy: 1.2562032783338697
Energy: 1.2864572344655743
Energy: 1.3124028968737493
Energy: 1.2893882760733555
Energy: 1.2085057141108768
Energy: 1.302113061298295
Energy: 1.256203278332791
Energy: 1.158372080218466
Energy: 1.2292558709437347
Energy: 1.2007363327983676
Energy: 1.2045422921354385
Energy: 1.1406908530531077
Energy: 1.3650637641837715
Energy: 1.1583720802195445
Energy: 1.2292558709418475
Energy: 1.2007363327967495
Energy: 1.2045422921340905
Energy: 1.2511199349658695
Energy: 1.2834627607890483
Energy: 1.2109393222628164
Energy: 1.1976882025829507
Energy: 1.179253151594759
Energy: 1.182569770181998
Energy: 1.2511199349664086
Energy: 1.2834627607890483
Energy: 1.210939322263086
Energy: 1.19768820258349
Energy: 1.1979682201877033
Energy: 1.1928842869528113
Energy: 1.2886649232578171
Energy: 1.330214347084298
Energy: 1.2959339325209673
Energy: 1.1833657196719483
Energy: 1.1979682201852766
Energy: 1.1928842869622478
Energy: 1.2886649232583562
Energy: 1.3302143470848373
Energy: 1.2213279032707955
Energy: 1.3228697433084677
Energy: 1.233785782248596
Energy: 1.17726140043773
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Energy: 1.2598455958851686
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Energy: 1.3254222217328122
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Energy: 1.3715775303333522
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Energy: 1.3132213445916125
Energy: 1.1604372940951595
Energy: 1.2099518578383737
Energy: 1.3447332933504814
Energy: 1.3715775303320041
Energy: 1.2788055889234948
Energy: 1.272664817578052
Energy: 1.1841969982331773
Energy: 1.19233319312058
Energy: 1.2290420947996237
Energy: 1.2740178989150377
Energy: 1.2788055889248429
Energy: 1.2726648175758952
Energy: 1.1841969982342553
Energy: 1.19233319312058
Energy: 1.2525174999077653
Energy: 1.329815634644405
Energy: 1.1306809189184717
Energy: 1.1980302272766945
Energy: 1.2203717927248925
Energy: 1.2522205800074353
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Energy: 1.329815634647101
Energy: 1.130680918917148
Energy: 1.1980302272756158
Energy: 1.1981848497277598
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Energy: 1.360268405328485
Energy: 1.3303966094065462
Energy: 1.198184849729647
Energy: 1.1753504559779873
Energy: 1.289452686334718
Energy: 1.1748047190452624

minimum gb energy = 1.130680918917148 eV
minimum distance =  2.27019883195726 Angstroms
sigma value = 219


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

Energy: 1.1597002890193806
Energy: 1.1517075749239927
Energy: 1.133412987630518
Energy: 1.1703760666628453
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Energy: 1.134325110724779
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Energy: 1.121784296698023
Energy: 1.0883856199155513
Energy: 1.133153787075771
Energy: 1.0884286520452249
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Energy: 1.0887409343960526
Energy: 1.1200484082634403
Energy: 1.1345857526733476
Energy: 1.1343066202527097
Energy: 1.0887111712756639
Energy: 1.172715560994132
Energy: 1.0887409343960526
Energy: 1.1200484082634403
Energy: 1.1345857526733476
Energy: 1.134306620254494
Energy: 1.1336315907528176
Energy: 1.2580551596729597
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Energy: 1.1520176658484917
Energy: 1.1336315907528176
Energy: 1.1679171269861717
Energy: 1.1334232726025375
Energy: 1.343233983236474

minimum gb energy = 1.0883743087071518 eV
minimum distance =  2.33987120843987 Angstroms
sigma value = 15


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

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Energy: 1.2966950593593096
Energy: 1.312355890390794
Energy: 1.4657596952411405
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Energy: 1.3137557885691769
Energy: 1.335638564293588
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Energy: 1.3613056573182876
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minimum gb energy = 1.2963842832105896 eV
minimum distance =  2.25911737284858 Angstroms
sigma value = 293


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

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Energy: 1.4467006476023898
Energy: 1.3626995391884464
Energy: 1.3516550158257927
Energy: 1.356682649561346
Energy: 1.388665936851951
Energy: 1.3587725479083048
Energy: 1.3570851275618523
Energy: 1.3587397962162557
Energy: 1.3892747996232493
Energy: 1.3566826495609432
Energy: 1.3886659368511447
Energy: 1.3587725479087078
Energy: 1.496573984891822
Energy: 1.2960295104832829
Energy: 1.5344564872606405
Energy: 1.3576583708929528
Energy: 1.3516419190146578
Energy: 1.3626807209685772
Energy: 1.4466981016558793
Energy: 1.2960295104836859
Energy: 1.5344564872606405
Energy: 1.3576583708921466
Energy: 1.351641919014255
Energy: 1.4111617145542255
Energy: 1.2957096635056515
Energy: 1.374156918235569
Energy: 1.3688122685734436
Energy: 1.3862390448502377
Energy: 1.3085215181916052
Energy: 1.391076290150671
Energy: 1.2957096635044423
Energy: 1.3741569182359723
Energy: 1.3688122685730404
Energy: 1.409114198804842
Energy: 1.2956864499061713
Energy: 1.3359138503505554
Energy: 1.3174982526114452
Energy: 1.313974828353648
Energy: 1.3963462985313884
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Energy: 1.2956864499065743
Energy: 1.3359138503509587
Energy: 1.3174982526114452
Energy: 1.3297500549272705
Energy: 1.4681959098400066
Energy: 1.3706371509603956
Energy: 1.298539024844734
Energy: 1.549928714444014
Energy: 1.3250501908618593
Energy: 1.3297500549280763
Energy: 1.4681959098400066
Energy: 1.3706371509599928
Energy: 1.2985390248451367
Energy: 1.329410204887388
Energy: 1.3306016771610807
Energy: 1.354195998360764
Energy: 1.4687188346724491
Energy: 1.3466933310163385
Energy: 1.3159426733773827
Energy: 1.3294102048865821
Energy: 1.3306016771618867
Energy: 1.354195998360764
Energy: 1.4687188346720461
Energy: 1.36758892365931
Energy: 1.337358920312914
Energy: 1.308857502361269
Energy: 1.4390607130785018
Energy: 1.2969892944645018
Energy: 1.388104785035531
Energy: 1.36758892365931
Energy: 1.3373589203145262
Energy: 1.308857502361269
Energy: 1.4390607130776956
Energy: 1.368448963708811
Energy: 1.3839849219838642
Energy: 1.384002039856937
Energy: 1.3687330575736856
Energy: 1.3146193421406729
Energy: 1.3148292535139905
Energy: 1.3684489637100201
Energy: 1.3839849219838642
Energy: 1.3840020398573398
Energy: 1.3687330575744916
Energy: 1.4391527264330621
Energy: 1.3088108801716398
Energy: 1.3373704320145579
Energy: 1.367596032717374
Energy: 1.3879898230339869
Energy: 1.297006554624466
Energy: 1.4391527264330621
Energy: 1.3088108801720428
Energy: 1.3373704320133486
Energy: 1.36759603271818
Energy: 1.4684974062761293
Energy: 1.3700177042497133
Energy: 1.3306722759265373
Energy: 1.3294001991151396
Energy: 1.3159531100239863
Energy: 1.346874868179362
Energy: 1.4684974062765321
Energy: 1.3700177042497133
Energy: 1.3306722759257312
Energy: 1.3294001991151396
Energy: 1.2985547889425724
Energy: 1.370738979868039
Energy: 1.4681959098420219
Energy: 1.3297595943984521
Energy: 1.324958727955328
Energy: 1.54992871444482
Energy: 1.2985547889421694
Energy: 1.3707389798684422
Energy: 1.4681959098416186
Energy: 1.329759594398049
Energy: 1.3175480678747034
Energy: 1.3356521847758815
Energy: 1.2956659433113344
Energy: 1.4090403927564752
Energy: 1.3963079436401757
Energy: 1.3139138893384383
Energy: 1.3175480678751064
Energy: 1.3356521847754788
Energy: 1.2956659433109314
Energy: 1.409040392757281

minimum gb energy = 1.2955573126194007 eV
minimum distance =  2.22122572210081 Angstroms
sigma value = 293


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

Energy: 1.1182186787447093
Energy: 1.1696898232679962
Energy: 1.1688194493718884
Energy: 1.6077898501065906
Energy: 1.1688167665149654
Energy: 1.2647286080626696
Energy: 1.1182186787439805
Energy: 1.1696898232672677
Energy: 1.1688194493704316
Energy: 1.4796959536798329
Energy: 1.168932889451526
Energy: 1.4995275173156486
Energy: 1.168838986265866
Energy: 1.2301299720342738
Energy: 1.6825085127954353
Energy: 1.169957811402308
Energy: 1.168932889451526
Energy: 1.4995275173149205
Energy: 1.1688389862665942
Energy: 1.5132349992683332
Energy: 1.194198973994447
Energy: 1.1164706767211896
Energy: 1.6290513002163969
Energy: 1.1162575798752234
Energy: 1.2006015541324802
Energy: 1.1693112793870262
Energy: 1.1941989739937187
Energy: 1.1164706767211896
Energy: 1.6290513002178537
Energy: 1.1162575798752234
Energy: 1.6290892176953629
Energy: 1.1164215455695232
Energy: 1.1942101015174913
Energy: 1.1693142905070986
Energy: 1.2006655391441905
Energy: 1.1162663459870699
Energy: 1.6290892176960914
Energy: 1.1164215455695232
Energy: 1.1942101015174913
Energy: 1.16931429050637
Energy: 1.1688397640717503
Energy: 1.5173574033350414
Energy: 1.16894665674756
Energy: 1.169975077287033
Energy: 1.6825237253506895
Energy: 1.3795066359703974
Energy: 1.1688397640710222
Energy: 1.838076581418417
Energy: 1.16894665674756
Energy: 1.169975077287033
Energy: 1.1688167665149654
Energy: 1.1947150246634615
Energy: 1.1182186787447093
Energy: 1.1696898232672677
Energy: 1.1688194493711601
Energy: 1.5334670461199675
Energy: 1.1688167665149654
Energy: 1.2343186781056366
Energy: 1.1182186787439805
Energy: 1.1696898232672677
Energy: 1.6825085127954353
Energy: 1.169957811402308
Energy: 1.168932889451526
Energy: 1.4995275173149205
Energy: 1.168838986265866
Energy: 1.4358267228419914
Energy: 1.6825085127954353
Energy: 1.169957811402308
Energy: 1.168932889451526
Energy: 1.4995275173149205
Energy: 1.2006015541332087
Energy: 1.1693112793870262
Energy: 1.1941989739937187
Energy: 1.1164706767211896
Energy: 1.6290513002163969
Energy: 1.1162575798752234
Energy: 1.2006015541324802
Energy: 1.1693112793870262
Energy: 1.1941989739937187
Energy: 1.1164706767211896
Energy: 1.200665539143462
Energy: 1.1162663459870699
Energy: 1.6290892176953629
Energy: 1.1164215455695232
Energy: 1.1942101015174913
Energy: 1.1693142905070986
Energy: 1.2006655391441905
Energy: 1.1162663459870699
Energy: 1.6290892176960914
Energy: 1.1164215455695232
Energy: 1.6825237253506895
Energy: 1.3795066359703974
Energy: 1.1688397640717503
Energy: 1.6068002282050136
Energy: 1.16894665674756
Energy: 1.169975077287033
Energy: 1.6825237253506895
Energy: 1.3795066359703974
Energy: 1.1688397640710222
Energy: 1.838076581418417
Energy: 1.1688194493704316
Energy: 1.5841181360330883
Energy: 1.1688167665149654
Energy: 1.240924820013127
Energy: 1.1182186787447093
Energy: 1.1696898232672677
Energy: 1.1688194493711601
Energy: 1.4796959536747338
Energy: 1.1688167665149654
Energy: 1.2343186781056366
Energy: 1.1688389862665942
Energy: 1.1939387406663178
Energy: 1.6825085127954353
Energy: 1.1699578114030365
Energy: 1.1689328894507978
Energy: 1.4995275173149205
Energy: 1.168838986265866
Energy: 1.4358267228419914
Energy: 1.6825085127954353
Energy: 1.169957811402308
Energy: 1.6290513002178537
Energy: 1.1162575798752234
Energy: 1.2006015541332087
Energy: 1.1693112793870262
Energy: 1.194198973994447
Energy: 1.1164706767211896
Energy: 1.6290513002163969
Energy: 1.1162575798752234
Energy: 1.2006015541324802
Energy: 1.1693112793870262
Energy: 1.1942101015174913
Energy: 1.16931429050637
Energy: 1.200665539143462
Energy: 1.1162663459877984
Energy: 1.6290892176953629
Energy: 1.1164215455695232
Energy: 1.1942101015174913
Energy: 1.1693142905070986
Energy: 1.2006655391441905
Energy: 1.1162663459870699
Energy: 1.16894665674756
Energy: 1.169975077287033
Energy: 1.6825237253506895
Energy: 1.3795066359703974
Energy: 1.1688397640717503
Energy: 1.7418080387632435
Energy: 1.16894665674756
Energy: 1.169975077287033
Energy: 1.6825237253506895
Energy: 1.3795066359703974
Energy: 1.1182186787432522
Energy: 1.1696898232672677
Energy: 1.1688194493704316
Energy: 1.6077898501065906
Energy: 1.1688167665149654
Energy: 1.313543823923637
Energy: 1.1182186787447093
Energy: 1.1696898232679962
Energy: 1.1688194493711601
Energy: 1.479695953673277
Energy: 1.168932889451526
Energy: 1.4995275173149205
Energy: 1.1688389862665942
Energy: 1.2403875046023627
Energy: 1.6825085127954353
Energy: 1.169957811402308
Energy: 1.1689328894507978
Energy: 1.4995275173149205
Energy: 1.168838986265866
Energy: 1.4358267228427195
Energy: 1.1941989739937187
Energy: 1.1164706767211896
Energy: 1.6290513002178537
Energy: 1.1162575798752234
Energy: 1.2006015541332087
Energy: 1.1693112793870262
Energy: 1.194198973994447
Energy: 1.1164706767211896
Energy: 1.6290513002163969
Energy: 1.1162575798752234
Energy: 1.6290892176960914
Energy: 1.1164215455695232
Energy: 1.1942101015174913
Energy: 1.16931429050637
Energy: 1.200665539143462
Energy: 1.1162663459870699
Energy: 1.6290892176953629
Energy: 1.1164215455695232
Energy: 1.1942101015174913
Energy: 1.1693142905070986
Energy: 1.1688397640710222
Energy: 1.6068002282035565
Energy: 1.16894665674756
Energy: 1.169975077287033
Energy: 1.6825237253506895
Energy: 1.3795066359703974
Energy: 1.1688397640717503
Energy: 1.838076581418417
Energy: 1.16894665674756
Energy: 1.169975077287033
Energy: 1.1688167665149654
Energy: 1.19471502466419
Energy: 1.1182186787439805
Energy: 1.1696898232672677
Energy: 1.1688194493704316
Energy: 1.5334670461206956
Energy: 1.1688167665149654
Energy: 1.2305754508371225
Energy: 1.1182186787447093
Energy: 1.1696898232679962
Energy: 1.6825085127954353
Energy: 1.169957811402308
Energy: 1.168932889451526
Energy: 1.4995275173149205
Energy: 1.168838986265866
Energy: 1.240387504603091
Energy: 1.6825085127954353
Energy: 1.169957811402308
Energy: 1.1689328894507978
Energy: 1.4995275173149205

minimum gb energy = 1.1162575798752234 eV
minimum distance =  2.2553079085857 Angstroms
sigma value = 15


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

Energy: 1.5350757072196244
Energy: 1.281001323694701
Energy: 1.3054823421389203
Energy: 1.311873238078906
Energy: 1.3085340595971011
Energy: 1.280960860500668
Energy: 1.5350757072192942
Energy: 1.2810013236923898
Energy: 1.3054823421402413
Energy: 1.3329904186744683
Energy: 1.3668205260990955
Energy: 1.3523094107001101
Energy: 1.3057327317930556
Energy: 1.315907480145395
Energy: 1.3153985982946985
Energy: 1.2744576003637362
Energy: 1.366820526100416
Energy: 1.3523094106994498
Energy: 1.305732731793716
Energy: 1.3159074801463857
Energy: 1.3004234302854547
Energy: 1.2662297159763871
Energy: 1.431016723011079
Energy: 1.3171108382117886
Energy: 1.3131534395000888
Energy: 1.4477386546024955
Energy: 1.3004234302864452
Energy: 1.2662297159793587
Energy: 1.431016723011079
Energy: 1.3171108382134395
Energy: 1.389609579029594
Energy: 1.2677313122599403
Energy: 1.2883839411646718
Energy: 1.3343512181824486
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Energy: 1.2741924010416308
Energy: 1.389609579029594
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Energy: 1.2883839411659928
Energy: 1.3343512181824486
Energy: 1.287537855752016
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Energy: 1.3174412393655985
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Energy: 1.2745482226009268
Energy: 1.2875378557536672
Energy: 1.3912351209132523
Energy: 1.2695241889803222
Energy: 1.317441239366589
Energy: 1.2881784484910388
Energy: 1.269043429576418
Energy: 1.3006512640100447
Energy: 1.300469477401205
Energy: 1.298528254664782
Energy: 1.4174599511712158
Energy: 1.2881784484903782
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Energy: 1.3006512640077337
Energy: 1.3004694774035166
Energy: 1.3470178924403218
Energy: 1.2532609947427211
Energy: 1.2691406299322403
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Energy: 1.3167011967255824
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Energy: 1.2532609947414002
Energy: 1.2691406299348822
Energy: 1.346216770723907
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Energy: 1.2758231585023891
Energy: 1.2647548454653534
Energy: 1.301760388366726
Energy: 1.3171413424178835
Energy: 1.3136909062643698
Energy: 1.2825922591492496
Energy: 1.2758231585013986
Energy: 1.2647548454630422
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Energy: 1.2981457565718306
Energy: 1.35181933953809
Energy: 1.3916933496446546
Energy: 1.3040164415867073
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Energy: 1.2848062973177101
Energy: 1.2981457565718306
Energy: 1.3518193395387503
Energy: 1.3916933496449848
Energy: 1.3040164415850561
Energy: 1.3035626151299897
Energy: 1.2839628914394143
Energy: 1.2708916054084716
Energy: 1.2902418410604475
Energy: 1.3061268294484245
Energy: 1.3043335608951705
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Energy: 1.2839628914374333
Energy: 1.2708916054104527
Energy: 1.290241841062759
Energy: 1.284474196611164
Energy: 1.3426443048095156
Energy: 1.2840271511177388
Energy: 1.4634294582834437
Energy: 1.2988437681516318
Energy: 1.314875110848304
Energy: 1.284474196611164
Energy: 1.3426443048105066
Energy: 1.284027151116748
Energy: 1.4634294582834437
Energy: 1.2923440545627543
Energy: 1.3001894568478944
Energy: 1.4061944238983508
Energy: 1.266435186977742
Energy: 1.3551336856337202
Energy: 1.3250083055460815
Energy: 1.292344054562094
Energy: 1.3001894568502057
Energy: 1.406194423900302
Energy: 1.2664351869790629
Energy: 1.3767775351317224
Energy: 1.2870374582339161
Energy: 1.272291227876748
Energy: 1.2882134167256882
Energy: 1.284107883146691
Energy: 1.2897503419084828
Energy: 1.3767775351304017
Energy: 1.287037458234907
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Energy: 1.2882134167276695
Energy: 1.3069869298334713
Energy: 1.3992880716405027
Energy: 1.2673619876427795
Energy: 1.3840768253073021
Energy: 1.353625471625018
Energy: 1.3184821631379515
Energy: 1.306986929834792
Energy: 1.3992880716414935
Energy: 1.2673619876421192
Energy: 1.3840768253076323
Energy: 1.315151230952676
Energy: 1.2751781236747062
Energy: 1.2924430597584065
Energy: 1.2669285473955498
Energy: 1.3007121166035251
Energy: 1.30566152031396
Energy: 1.3151512309553177
Energy: 1.2751781236740458
Energy: 1.2924430597600578
Energy: 1.2669285473948892
Energy: 1.264294952644531
Energy: 1.3106636549495008
Energy: 1.3845346341886067
Energy: 1.3126463574463627
Energy: 1.2922147608113739
Energy: 1.315006055338771
Energy: 1.2642949526425498
Energy: 1.3106636549508215
Energy: 1.384534634185635
Energy: 1.3126463574480136
Energy: 1.347698121010808
Energy: 1.3059443020847472
Energy: 1.268239534033532
Energy: 1.2807676844078404
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Energy: 1.2807676844042077
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Energy: 1.240817386275422
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Energy: 1.3006068454464028
Energy: 1.2727846499416493
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Energy: 1.325654749313708
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Energy: 1.2656615887864926
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Energy: 1.2622776736066956
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Energy: 1.3636030488393913
Energy: 1.2656615887861624
Energy: 1.3021035145273703
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Energy: 1.2793614102562332
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Energy: 1.2668310154256022
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Energy: 1.3475556333984073
Energy: 1.298551841033421
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Energy: 1.360249040789578
Energy: 1.35707312495863
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Energy: 1.2985518410324304
Energy: 1.3128430533098485
Energy: 1.3602490407892478
Energy: 1.3031805951978692
Energy: 1.3296184921064833
Energy: 1.3014613985723826
Energy: 1.2701821179000714
Energy: 1.2739626459108886
Energy: 1.2822839256343075
Energy: 1.3031805951981994
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Energy: 1.301461398571062
Energy: 1.2701821178984203
Energy: 1.303535739139486
Energy: 1.325487724928518
Energy: 1.280064429264993
Energy: 1.3012152083130903
Energy: 1.2750448611842309
Energy: 1.3199410342090807
Energy: 1.3035357391365143
Energy: 1.3254877249268668
Energy: 1.280064429264993
Energy: 1.3012152083130903
Energy: 1.3650279113537658
Energy: 1.2950597356305154
Energy: 1.3168399817668228
Energy: 1.3022392953793438
Energy: 1.2874011814919297
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Energy: 1.3650279113534356
Energy: 1.295059735628534
Energy: 1.3168399817648415
Energy: 1.3022392953806645
Energy: 1.3000631609400528
Energy: 1.3575946057342638
Energy: 1.3580604264624154
Energy: 1.2984194315309767
Energy: 1.3694130699508247
Energy: 1.2712870790140929
Energy: 1.3000631609380715
Energy: 1.357594605735915
Energy: 1.3580604264630758
Energy: 1.2984194315339483
Energy: 1.2522411113581502
Energy: 1.3265166385322624
Energy: 1.3231357244006425
Energy: 1.2964381226507196
Energy: 1.287589429517545
Energy: 1.4144458064296528
Energy: 1.252241111361122
Energy: 1.3265166385309415
Energy: 1.323135724399652
Energy: 1.2964381226517103
Energy: 1.4966995465174184
Energy: 1.284926668277489
Energy: 1.317323782327243
Energy: 1.3410483675041902
Energy: 1.2873596296433183
Energy: 1.3010527583658067
Energy: 1.4966995465174184
Energy: 1.2849266682807912
Energy: 1.3173237823269128
Energy: 1.3410483675065017
Energy: 1.252762973462358
Energy: 1.4330967125202458
Energy: 1.3182739817340219
Energy: 1.306178794656794
Energy: 1.4152988150790953
Energy: 1.3408229454548064
Energy: 1.2527629734620278
Energy: 1.433096712520576
Energy: 1.3182739817360032
Energy: 1.306178794660426
Energy: 1.2898658018578135
Energy: 1.2995535522690156
Energy: 1.3774738393389052
Energy: 1.306905135440255
Energy: 1.2784089462497619
Energy: 1.4997658316423113
Energy: 1.2898658018588043
Energy: 1.2995535522686854
Energy: 1.3774738393405563
Energy: 1.3069051354395946
Energy: 1.3486002348145127
Energy: 1.2994683093926869
Energy: 1.3050401303622712
Energy: 1.2662931771756747
Energy: 1.310669320292782
Energy: 1.3231211690065061
Energy: 1.3486002348145127
Energy: 1.2994683093920265
Energy: 1.3050401303626014
Energy: 1.2662931771750143
Energy: 1.2782691347191883
Energy: 1.365515269691038
Energy: 1.3129025708242184
Energy: 1.3334041629386437
Energy: 1.4004183236473744
Energy: 1.2847088492188468
Energy: 1.2782691347198487
Energy: 1.365515269691038
Energy: 1.312902570825869
Energy: 1.3334041629379834
Energy: 1.2880704605449684
Energy: 1.2857386728387192
Energy: 1.306613174208516
Energy: 1.3254343297523068
Energy: 1.2830135500756232
Energy: 1.2828634325663946
Energy: 1.2880704605476103
Energy: 1.2857386728390494
Energy: 1.306613174209837
Energy: 1.3254343297516464
Energy: 1.3324113926380292
Energy: 1.2508695187642322
Energy: 1.3334487512706212
Energy: 1.2658630544519336
Energy: 1.3058575925483882
Energy: 1.2996642799640805
Energy: 1.3324113926429826
Energy: 1.250869518763902
Energy: 1.3334487512726025
Energy: 1.2658630544525942
Energy: 1.2689620289909394
Energy: 1.2926708690493949
Energy: 1.2780372177259147
Energy: 1.3093969047100622
Energy: 1.3183770137999309
Energy: 1.2992693678546317
Energy: 1.2689620289935808
Energy: 1.2926708690454327
Energy: 1.2780372177288868
Energy: 1.3093969047090717
Energy: 1.267797246244495
Energy: 1.302599832693557
Energy: 1.4162458888570912
Energy: 1.3251288489868291
Energy: 1.3188176920578325
Energy: 1.4322375130661298
Energy: 1.2677972462418534
Energy: 1.302599832693557
Energy: 1.4162458888554401
Energy: 1.325128848985178
Energy: 1.2883080363674815
Energy: 1.2647747973175212
Energy: 1.3001287797555268
Energy: 1.4039010562925125
Energy: 1.3154147208249938
Energy: 1.2856550923377772
Energy: 1.2883080363684722
Energy: 1.26477479731521
Energy: 1.3001287797565175
Energy: 1.4039010562908614
Energy: 1.328478777209385
Energy: 1.392672805541809
Energy: 1.287311900760118
Energy: 1.2860959455585277
Energy: 1.300329864649089
Energy: 1.3245412257702687
Energy: 1.328478777206743
Energy: 1.3926728055441202
Energy: 1.287311900760118
Energy: 1.2860959455568768
Energy: 1.2790215198612147
Energy: 1.2709940300177078
Energy: 1.4061834007742384
Energy: 1.302889938308568
Energy: 1.357369043847187
Energy: 1.2994805807669703
Energy: 1.2790215198631958
Energy: 1.2709940300196894
Energy: 1.4061834007755594
Energy: 1.3028899383079076
Energy: 1.3732867239710078
Energy: 1.2841761827027631
Energy: 1.4785452133903105
Energy: 1.3019436083794595
Energy: 1.3093613785166949
Energy: 1.2963301142434132
Energy: 1.3732867239686963
Energy: 1.2841761827007818
Energy: 1.4785452133896502
Energy: 1.301943608378469
Energy: 1.3016307370385596
Energy: 1.3269109330877928
Energy: 1.253269236370363
Energy: 1.2913723342664196
Energy: 1.2815299465568133
Energy: 1.3270017713516935
Energy: 1.301630737036248
Energy: 1.3269109330874627
Energy: 1.2532692363697027
Energy: 1.2913723342660892
Energy: 1.3040373944525396
Energy: 1.2825138277965866
Energy: 1.2711655223019644
Energy: 1.2989274906371089
Energy: 1.2991819380003269
Energy: 1.344150577237117
Energy: 1.3040373944525396
Energy: 1.2825138277972472
Energy: 1.271165522299983
Energy: 1.2989274906384296
Energy: 1.3481023273528376
Energy: 1.2892920218754857
Energy: 1.3774415123357475
Energy: 1.4019512185596725
Energy: 1.3148565625100328
Energy: 1.2985521787655825
Energy: 1.3481023273558093
Energy: 1.2892920218758164
Energy: 1.3774415123354173
Energy: 1.401951218561984
Energy: 1.2998426586197576
Energy: 1.3003483620001512
Energy: 1.2668243884962618
Energy: 1.2878246713409913
Energy: 1.2756538760428058
Energy: 1.315225263045425
Energy: 1.2998426586187668
Energy: 1.3003483620014722
Energy: 1.2668243884972528
Energy: 1.2878246713400008
Energy: 1.3271230208842892
Energy: 1.3390833139056038
Energy: 1.3157303185266107
Energy: 1.2665018774576713
Energy: 1.4062293324961042
Energy: 1.2876207960449126
Energy: 1.3271230208836289
Energy: 1.339083313905934
Energy: 1.3157303185252898
Energy: 1.2665018774576713
Energy: 1.3067763627536486
Energy: 1.2773262054376693
Energy: 1.2924779866017517
Energy: 1.2618911333019573
Energy: 1.2906535913841013
Energy: 1.3597693089656133
Energy: 1.3067763627533184
Energy: 1.2773262054376693
Energy: 1.2924779866037328
Energy: 1.261891133299976
Energy: 1.2671727644473763
Energy: 1.3314408821044434
Energy: 1.2675396537232755
Energy: 1.2948397458456817
Energy: 1.3000025811132612
Energy: 1.3115093434066656
Energy: 1.2671727644447348
Energy: 1.3314408821060943
Energy: 1.2675396537219545
Energy: 1.2948397457806615
Energy: 1.3399011815003072
Energy: 1.3060025663506036
Energy: 1.3684813304585777
Energy: 1.258868072173687
Energy: 1.3442244223296975
Energy: 1.2541316655378993
Energy: 1.3399011814966753
Energy: 1.3060025663532453
Energy: 1.3684813304562662
Energy: 1.2588680721710452

minimum gb energy = 1.2408173862741014 eV
minimum distance =  2.29615092772698 Angstroms
sigma value = 437


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

Energy: 1.4215046945656198
Energy: 1.387660744349094
Energy: 1.2517825795544473
Energy: 1.2298575642596774
Energy: 1.2517085864987394
Energy: 1.347009466612772
Energy: 1.4215046945656198
Energy: 1.387660744349094
Energy: 1.2517825795544473
Energy: 1.267454928124486
Energy: 1.2747419681953271
Energy: 1.4640255870878944
Energy: 1.2509098248819892
Energy: 1.217298892777974
Energy: 1.379842014397213
Energy: 1.2889867830627968
Energy: 1.27474196819653
Energy: 1.4640255870878944
Energy: 1.2509098248831918
Energy: 1.2172988927767712
Energy: 1.152553547167189
Energy: 1.2327780170069895
Energy: 1.2513089888458966
Energy: 1.1971541520525184
Energy: 1.2517886115882155
Energy: 1.3899366370803352
Energy: 1.152553547167189
Energy: 1.2327780170081928
Energy: 1.2513089888446938
Energy: 1.1971541520525184
Energy: 1.2898219505775412
Energy: 1.232355314214438
Energy: 1.2509940758871003
Energy: 1.2534262973270596
Energy: 1.2520666137611882
Energy: 1.3432145437365717
Energy: 1.2898219505763382
Energy: 1.232355314213235
Energy: 1.2509940758858975
Energy: 1.2534262973270596
Energy: 1.1482174927571405
Energy: 1.230026061156682
Energy: 1.252145008707753
Energy: 1.2590528748101173
Energy: 1.2832537587719755
Energy: 1.2126153795525427
Energy: 1.1482174927559372
Energy: 1.229051834202814
Energy: 1.2521450087065498
Energy: 1.2590528748113203
Energy: 1.2417608925142174
Energy: 1.2644240354792846
Energy: 1.2244821005578495
Energy: 1.2116125774347006
Energy: 1.228841115010517
Energy: 1.2446608884244428
Energy: 1.2417608925118113
Energy: 1.2644240354768785
Energy: 1.2244821005590525
Energy: 1.211612577433552
Energy: 1.2921033764237604
Energy: 1.233199513022397
Energy: 1.3496241301924126
Energy: 1.2957404176590261
Energy: 1.2516628859663192
Energy: 1.2329541529854242
Energy: 1.2921033764237604
Energy: 1.233199513022397
Energy: 1.3496241301912095
Energy: 1.2957404176566203
Energy: 1.14909289110102
Energy: 1.2325699375424253
Energy: 1.2515007997971848
Energy: 1.2544099264926343
Energy: 1.2525101571781336
Energy: 1.2323576515964354
Energy: 1.14909289110102
Energy: 1.2325699375436283
Energy: 1.2515007997971848
Energy: 1.2544099264914312
Energy: 1.337639312855687
Energy: 1.2890150098391604
Energy: 1.5350294228273316
Energy: 1.183655039872403
Energy: 1.251417875645665
Energy: 1.2849197159562784
Energy: 1.337639312855687
Energy: 1.2890150098379576
Energy: 1.5350294228273316
Energy: 1.183655039872403
Energy: 1.2270842851059536
Energy: 1.227326576980118
Energy: 1.2233962063850299
Energy: 1.2119817294003974
Energy: 1.2514551425617353
Energy: 1.3466709350794357
Energy: 1.2270842851059536
Energy: 1.227326576980118
Energy: 1.2233962063850299
Energy: 1.2119817294016002
Energy: 1.247827148800013
Energy: 1.3405522100344238
Energy: 1.252357530949235
Energy: 1.2538642812783098
Energy: 1.3398911074304196
Energy: 1.233160674470281
Energy: 1.247827148814449
Energy: 1.3405522100332208
Energy: 1.252357530948032
Energy: 1.2538642812783098
Energy: 1.1481952062836533
Energy: 1.2322463510873007
Energy: 1.4072542588082178
Energy: 1.1963726903857659
Energy: 1.2525533260602741
Energy: 1.2324825094857421
Energy: 1.1481952062824503
Energy: 1.2322463510897068
Energy: 1.4072542588082178
Energy: 1.1963726903857659
Energy: 1.2529758622701475
Energy: 1.2337605003444738
Energy: 1.3649019930384811
Energy: 1.2537866414166514
Energy: 1.252231464042644
Energy: 1.3400779241775918
Energy: 1.2529758622713503
Energy: 1.2337605003433256
Energy: 1.3649019930396844
Energy: 1.2537866414166514
Energy: 1.1845417461172023
Energy: 1.3564910971622894
Energy: 1.2514036453975972
Energy: 1.2136442857575813
Energy: 1.2246091938424613
Energy: 1.2330755904223445
Energy: 1.1845417461172023
Energy: 1.3564910971610864
Energy: 1.2514036453963941
Energy: 1.2136442857587844

minimum gb energy = 1.1481952062824503 eV
minimum distance =  2.2908880009409 Angstroms
sigma value = 33