Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000994205475
cohesive_energy=4.414156524791696
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: -0.0364522165523 eV

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

Energy: 0.018013724104093756
Energy: 0.018575441341674114
Energy: 0.5235325933480489
Energy: 0.018575441341012584
Energy: 0.018575441341012584
Energy: 0.9723051746773326
Energy: 0.018575441341012584
Energy: 0.9723051746773326
Energy: 0.5235325933480489
Energy: 0.018575441341012584
Energy: 0.018013724104093756
Energy: 0.018575441341012584
Energy: 0.018575441341012584
Energy: 0.9723051746773326
Energy: 0.018575441341012584
Energy: 0.9723051746773326

minimum gb energy = 0.018013724104093756 eV
minimum distance =  2.43217964438796 Angstroms
sigma value = 1


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

Energy: 1.29424411629098
Energy: 1.3200454238446657
Energy: 1.3173558400621397
Energy: 1.3200454238446657
Energy: 1.257515100173689
Energy: 1.3193299968966266
Energy: 1.2336185912467938
Energy: 1.3193299968974288
Energy: 1.1747006027261233
Energy: 1.302739825639614
Energy: 1.2300688679717915
Energy: 1.3027398256412188
Energy: 1.2219057342180717
Energy: 1.3318335171110707
Energy: 1.2057612511306586
Energy: 1.3318335171118731
Energy: 1.2247363211881324
Energy: 1.3217485884629627
Energy: 1.2501437344431758
Energy: 1.321748588463765
Energy: 1.1884330090112791
Energy: 1.3092495366177779
Energy: 1.166044804559092
Energy: 1.3092495366169756
Energy: 1.2617222276467868
Energy: 1.302947579392472
Energy: 1.1903872087955978
Energy: 1.3029475793908674
Energy: 1.1304206002325161
Energy: 1.321252202706667
Energy: 1.165801661727915
Energy: 1.321252202706667
Energy: 1.2082223921018953
Energy: 1.23424792626336
Energy: 1.243553417547516
Energy: 1.2342479262617554
Energy: 1.1595338604014642
Energy: 1.3021206924453725
Energy: 1.1253966810637046
Energy: 1.302120692446977
Energy: 1.2368550133500165
Energy: 1.3206531772411574
Energy: 1.208151343373931
Energy: 1.3206531772419596
Energy: 1.2361652400167458
Energy: 1.3210916568265907
Energy: 1.1721118572894773
Energy: 1.3210916568257882
Energy: 1.2300799211104898
Energy: 1.3020814234352807
Energy: 1.2614773562399075
Energy: 1.302081423433676
Energy: 1.2373780440848603
Energy: 1.312660843255826
Energy: 1.1952116419460108
Energy: 1.3126608432550237
Energy: 1.2441298719505127
Energy: 1.3194953122411786
Energy: 1.2299645792092302
Energy: 1.3194953122411786
Energy: 1.2523134170922292
Energy: 1.3201030489419214
Energy: 1.2298405814658975
Energy: 1.3201030489435261
Energy: 1.229789971192238
Energy: 1.3026963657158286
Energy: 1.1669818750590366
Energy: 1.3026963657158286
Energy: 1.2335238711934962
Energy: 1.2849021414603399
Energy: 1.2587713749399194
Energy: 1.2849021414603399
Energy: 1.142116454525643
Energy: 1.3203749668525493
Energy: 1.1718097853472351
Energy: 1.3203749668509448
Energy: 1.2321369248357605
Energy: 1.2338626193904045
Energy: 1.2123962759268045
Energy: 1.233862619392009
Energy: 1.1614937629453825
Energy: 1.302660508566136
Energy: 1.1237689879320236
Energy: 1.3026605085653338
Energy: 1.2062578628320102
Energy: 1.3181065023455476
Energy: 1.2449860962227386
Energy: 1.3181065023479543
Energy: 1.230226208624724
Energy: 1.3221255846658349
Energy: 1.1769769114265711
Energy: 1.3221255846650326
Energy: 1.2163129487973634
Energy: 1.3023247633303507
Energy: 1.1885370072898713
Energy: 1.3023247633319555
Energy: 1.1903577162463455
Energy: 1.3032189562840009
Energy: 1.2619001094519398
Energy: 1.3032189562840009
Energy: 1.2287587518722274
Energy: 1.3215479576601366
Energy: 1.176020097674464
Energy: 1.3215479576625435
Energy: 1.2215716910335916
Energy: 1.3181908705551062
Energy: 1.2074920246462937
Energy: 1.3181908705543037
Energy: 1.178077390527468
Energy: 1.3018886004083805
Energy: 1.2694172956915586
Energy: 1.3018886004091828
Energy: 1.2567950034564064
Energy: 1.3042757377558563
Energy: 1.2274476517289872
Energy: 1.3042757377558563
Energy: 1.2891594494162366
Energy: 1.320361539478424
Energy: 1.2397074421681957
Energy: 1.3203615394776218
Energy: 1.2616582284486524
Energy: 1.3123601491923553
Energy: 1.229974992660603
Energy: 1.3123601491923553
Energy: 1.2201094745423267
Energy: 1.3033680656222548
Energy: 1.2372999669942006
Energy: 1.3033680656206503
Energy: 1.2252556422539822
Energy: 1.3332973074467371
Energy: 1.2069701201876082
Energy: 1.3332973074459349

minimum gb energy = 1.1237689879320236 eV
minimum distance =  2.24413175851695 Angstroms
sigma value = 1


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

Energy: 1.373333176396654
Energy: 1.4037269699613533
Energy: 1.3945171181630025
Energy: 1.4037269699540351
Energy: 1.2872352064871992
Energy: 1.3684697273954818
Energy: 1.279075191548589
Energy: 1.368469727391823
Energy: 1.228170006169815
Energy: 1.3991350667467262
Energy: 1.2792724875647647
Energy: 1.3991350667476412
Energy: 1.220102768351902
Energy: 1.2607673050734434
Energy: 1.2314885148716521
Energy: 1.2607673050661252
Energy: 1.2200480337067414
Energy: 1.377771228074083
Energy: 1.2782245776387284
Energy: 1.377771228070424
Energy: 1.3033594147793435
Energy: 1.3777030764422316
Energy: 1.2662012680924182
Energy: 1.3777030764422316
Energy: 1.286493889442347
Energy: 1.2579002091132054
Energy: 1.2314354423618896
Energy: 1.2579002091186937
Energy: 1.1690624729424113
Energy: 1.403130397789582
Energy: 1.2211915682576906
Energy: 1.4031303977877525
Energy: 1.2330269004227936
Energy: 1.2974965639872378
Energy: 1.2788952068984878
Energy: 1.297496563986323
Energy: 1.2190060263036049
Energy: 1.402658125461453
Energy: 1.18414306093328
Energy: 1.4026581254587087
Energy: 1.2861484154000973
Energy: 1.339809432703678
Energy: 1.2790404487188358
Energy: 1.339809432705508
Energy: 1.201842363029398
Energy: 1.3903034030893182
Energy: 1.2794222052970126
Energy: 1.3903034030847445
Energy: 1.2981422447195097
Energy: 1.3768921087038026
Energy: 1.289291222198279
Energy: 1.3768921087065469
Energy: 1.2986986125848305
Energy: 1.3769019416621775
Energy: 1.2582084491366203
Energy: 1.3769019416649217
Energy: 1.2017210968013112
Energy: 1.3904379436175536
Energy: 1.2791119605533763
Energy: 1.3904379436138947
Energy: 1.2862137869362593
Energy: 1.33981719097545
Energy: 1.2795126210064742
Energy: 1.339817190974535
Energy: 1.218993480667962
Energy: 1.4022439553928714
Energy: 1.1950141434677308
Energy: 1.4022439553919563
Energy: 1.2330202455860424
Energy: 1.297364051536763
Energy: 1.2790872045098098
Energy: 1.297364051533104
Energy: 1.16906782588801
Energy: 1.4038570925125395
Energy: 1.221179779469496
Energy: 1.4038570925107101
Energy: 1.2865923953294591
Energy: 1.2599373079212925
Energy: 1.2372451118709742
Energy: 1.2599373079249514
Energy: 1.3133472766029206
Energy: 1.3777259096986252
Energy: 1.2133492670533725
Energy: 1.3777259096958812
Energy: 1.220176738041819
Energy: 1.3777750613202673
Energy: 1.290882238586749
Energy: 1.3777750613230118
Energy: 1.2201315774861945
Energy: 1.260255676022356
Energy: 1.2312477469933414
Energy: 1.2602556760241856
Energy: 1.2283558921566318
Energy: 1.3990645262021884
Energy: 1.2789339247465896
Energy: 1.3990645262012735
Energy: 1.2872645672576517
Energy: 1.3684589639515934
Energy: 1.2791691011903168
Energy: 1.3684589639434022
Energy: 1.373333176396654
Energy: 1.4037269699604384
Energy: 1.3611955362681025
Energy: 1.4037269699540351
Energy: 1.287235206488114
Energy: 1.3684697273954818
Energy: 1.279075191548589
Energy: 1.368469727391823
Energy: 1.2281700061689005
Energy: 1.3991350667467262
Energy: 1.281450891252629
Energy: 1.3991350667476412
Energy: 1.2201027683509873
Energy: 1.2607673050725285
Energy: 1.226692863104727
Energy: 1.2607673050661252

minimum gb energy = 1.1690624729424113 eV
minimum distance =  2.25571151157102 Angstroms
sigma value = 25


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

Energy: 1.321732595834782
Energy: 1.4629328660381262
Energy: 1.4847037472341416
Energy: 1.462932866037063
Energy: 1.2951890835975535
Energy: 1.3999975111112384
Energy: 1.2910684476479184
Energy: 1.3999975111112384
Energy: 1.264680459829249
Energy: 1.5071152441654387
Energy: 1.292369377435848
Energy: 1.5071152441633604
Energy: 1.297266775204432
Energy: 1.3068286932917423
Energy: 1.2713729910655118
Energy: 1.306828693293869
Energy: 1.2732831856028994
Energy: 1.4679176601499426
Energy: 1.3575613610189288
Energy: 1.4679176601499426
Energy: 1.3849949444617968
Energy: 1.5058788494066568
Energy: 1.298023027904387
Energy: 1.5058788494066568
Energy: 1.2945689583377817
Energy: 1.2983666473735447
Energy: 1.3019646503601916
Energy: 1.2983666473735447
Energy: 1.4615322067434802
Energy: 1.464281744951542
Energy: 1.2301845158220268
Energy: 1.464281744951542
Energy: 1.3021577831124087
Energy: 1.3972415509952523
Energy: 1.2909159671530528
Energy: 1.397241550997379
Energy: 1.2907038442313072
Energy: 1.5064720323356073
Energy: 1.2573614094197831
Energy: 1.5064720323345437
Energy: 1.3570258021795378
Energy: 1.4649106671023302
Energy: 1.2915339336719345
Energy: 1.4649106671023302
Energy: 1.2728855622309625
Energy: 1.4628984967926615
Energy: 1.2912999069170694
Energy: 1.4628984967937249
Energy: 1.2924321561169365
Energy: 1.4132460015469621
Energy: 1.258234238857666
Energy: 1.4132460015480257
Energy: 1.3029874799506307
Energy: 1.3805910222259783
Energy: 1.2940117669327487
Energy: 1.3805910222259783
Energy: 1.225577288228324
Energy: 1.463680291988615
Energy: 1.2273921881663867
Energy: 1.463680291988615
Energy: 1.290591096390937
Energy: 1.3015447711383936
Energy: 1.2704420941021766
Energy: 1.3015447711394572
Energy: 1.2142870403595036
Energy: 1.505767870404592
Energy: 1.2138152721016071
Energy: 1.5057678704056554
Energy: 1.2709460406362658
Energy: 1.4101216251762336
Energy: 1.2929175302138485
Energy: 1.4101216251762336
Energy: 1.2907466349288381
Energy: 1.4196090173732518
Energy: 1.2733820132696225
Energy: 1.4196090173721887
Energy: 1.296482271852818
Energy: 1.504701761622738
Energy: 1.2976397060299751
Energy: 1.504701761622738
Energy: 1.3078117481727716
Energy: 1.3916098938394792
Energy: 1.2910731544435108
Energy: 1.3916098938405428
Energy: 1.3211926591436995
Energy: 1.4634957592676479
Energy: 1.3839745879111107
Energy: 1.4634957592665843
Energy: 1.292238481945876
Energy: 1.4077366416327617
Energy: 1.291309777562154
Energy: 1.4077366416327617
Energy: 1.264645682169574
Energy: 1.5075986981803504
Energy: 1.2907634204328322
Energy: 1.5075986981824774
Energy: 1.2909712321332913
Energy: 1.3208269664028918
Energy: 1.269501088364574
Energy: 1.320826966400765

minimum gb energy = 1.2138152721016071 eV
minimum distance =  2.25082760065481 Angstroms
sigma value = 9


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

Energy: 1.384307272302327
Energy: 1.3838025519903983
Energy: 1.5929567852948365
Energy: 1.383802551991667
Energy: 1.3498387927366111
Energy: 1.4704473170791337
Energy: 1.3667776848909354
Energy: 1.470447317080402
Energy: 1.2677874460658638
Energy: 1.3737667384147987
Energy: 1.3727012422078353
Energy: 1.3737667384160674
Energy: 1.3711699316197548
Energy: 1.4944382348565053
Energy: 1.2886750593234442
Energy: 1.494438234853997
Energy: 1.4705547965782713
Energy: 1.469822194656255
Energy: 1.371935297692753
Energy: 1.469822194658792
Energy: 1.2534305965725785
Energy: 1.3734234298510373
Energy: 1.28944889277919
Energy: 1.3734234298510373
Energy: 1.3657763023097085
Energy: 1.2881449755807004
Energy: 1.288226286138385
Energy: 1.288144975579432
Energy: 1.4027586585301755
Energy: 1.3737035953247152
Energy: 1.2769739546656678
Energy: 1.3737035953221783
Energy: 1.3672781842659887
Energy: 1.4702400945129819
Energy: 1.3710758745130427
Energy: 1.4702400945142506
Energy: 1.3745186928992978
Energy: 1.379669974860069
Energy: 1.2889377332895375
Energy: 1.3796699748588002
Energy: 1.3090256741032817
Energy: 1.469296400624216
Energy: 1.3726489203030305
Energy: 1.4692964006254845
Energy: 1.3707433253632084
Energy: 1.4343659872006562
Energy: 1.28950983961038
Energy: 1.4343659872006562
Energy: 1.2525018178128242
Energy: 1.3829472239399518
Energy: 1.273348302448584
Energy: 1.382947223938683
Energy: 1.3537327381227096
Energy: 1.3725962461184151
Energy: 1.36798075646313
Energy: 1.3725962461184151
Energy: 1.252529401593972
Energy: 1.3835693287673636
Energy: 1.2731853909312545
Energy: 1.3835693287699005
Energy: 1.3716369410800913
Energy: 1.4342160700225173
Energy: 1.2893517564159933
Energy: 1.4342160700212485
Energy: 1.3088193549672198
Energy: 1.4691959935495098
Energy: 1.372644365103411
Energy: 1.469195993546973
Energy: 1.3744450321341999
Energy: 1.37971120391445
Energy: 1.2888226276691084
Energy: 1.37971120391445
Energy: 1.367433359300857
Energy: 1.47015197946903
Energy: 1.3710719099745403
Energy: 1.47015197946903
Energy: 1.402768589373372
Energy: 1.3731772527104282
Energy: 1.2769774243800338
Energy: 1.3731772527104282
Energy: 1.365834264057454
Energy: 1.288178988170061
Energy: 1.288300801519224
Energy: 1.288178988170061

minimum gb energy = 1.2525018178128242 eV
minimum distance =  2.33530307621892 Angstroms
sigma value = 25


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

Energy: 1.3167787936704165
Energy: 1.5912527524700746
Energy: 1.7079166376688446
Energy: 1.591252752471643
Energy: 1.294742139050883
Energy: 1.4841970468562147
Energy: 1.2839923297194327
Energy: 1.4841970468562147
Energy: 1.284419675642638
Energy: 1.5032656512847233
Energy: 1.2837641839963754
Energy: 1.5032656512847233
Energy: 1.3165650702108083
Energy: 1.299540971682974
Energy: 1.477678006235088
Energy: 1.2995409717848738
Energy: 1.474326961086202
Energy: 1.2959316519135171
Energy: 1.3481592060475633
Energy: 1.2959316519135171
Energy: 1.2879618147982435
Energy: 1.5081381215035865
Energy: 1.2859441734121246
Energy: 1.5081381215020178
Energy: 1.2838003375258233
Energy: 1.4828806013354265
Energy: 1.2837599376120559
Energy: 1.4828806013354265
Energy: 1.4583158923964206
Energy: 1.285434065827367
Energy: 1.3184136103651778
Energy: 1.285434065825834
Energy: 1.283818568851812
Energy: 1.3991037851289572
Energy: 1.2972428850750726
Energy: 1.3991037851289572
Energy: 1.5108316690649113
Energy: 1.5066680179760916
Energy: 1.2864055054759866
Energy: 1.5066680179776606
Energy: 1.3731724025871175
Energy: 1.3000184087475823
Energy: 1.6461104696525617
Energy: 1.300018408756995
Energy: 1.285096320024948
Energy: 1.3283719170937254
Energy: 1.5114654231320168
Energy: 1.3283719171031383
Energy: 1.4678266959594344
Energy: 1.3759955672109698
Energy: 1.283168985217525
Energy: 1.3759955672094013
Energy: 1.284037151902422
Energy: 1.3034627196511452
Energy: 1.3170999064111741
Energy: 1.3034627196433015
Energy: 1.32842799822121
Energy: 1.2848500188479948
Energy: 1.4580771949478901
Energy: 1.284850018518692
Energy: 1.2978416303395757
Energy: 1.421076880638358
Energy: 1.2878698949862775
Energy: 1.421076880644633
Energy: 1.2843608534172228
Energy: 1.4054320735438446
Energy: 1.508679640056524
Energy: 1.4054320735438446

minimum gb energy = 1.283168985217525 eV
minimum distance =  2.32080871669525 Angstroms
sigma value = 17


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

Energy: 1.4430737223371073
Energy: 1.442807709506755
Energy: 1.7560114285124329
Energy: 1.4428077095049778
Energy: 1.5120822886948795
Energy: 1.4131610369250545
Energy: 1.3177735535314024
Energy: 1.4131610369259429
Energy: 1.4978909012126391
Energy: 1.475802821680981
Energy: 1.3176216859644534
Energy: 1.475802821680981
Energy: 1.3188487292285762
Energy: 1.4581212233282825
Energy: 1.4272110153958577
Energy: 1.458121223332725
Energy: 1.5283446388210962
Energy: 1.4312827186091301
Energy: 1.3172439543165984
Energy: 1.4312827186082415
Energy: 1.3297756832983476
Energy: 1.3688258085094889
Energy: 1.5114553219710847
Energy: 1.3688258085094889
Energy: 1.3229250940232775
Energy: 1.4667195931838712
Energy: 1.3179509631968465
Energy: 1.46671959318476
Energy: 1.5011756227948396
Energy: 1.481739220546939
Energy: 1.3380425657416926
Energy: 1.4817392205478277
Energy: 1.3329439504902263
Energy: 1.4766825086239337
Energy: 1.5324908917730307
Energy: 1.4766825086239337
Energy: 1.6348224202165298
Energy: 1.4103725924186041
Energy: 1.3200849322169956
Energy: 1.4103725924825752
Energy: 1.3216770552700015
Energy: 1.4806064851046634
Energy: 1.502838866181337
Energy: 1.480606485103775
Energy: 1.3321494365403275
Energy: 1.4612713675976372
Energy: 1.3293977566903805
Energy: 1.461271367598526
Energy: 1.5123975522235467
Energy: 1.4374541553483788
Energy: 1.4354701353755261
Energy: 1.4374541553501556
Energy: 1.3272508076575829
Energy: 1.4820859321200017
Energy: 1.5138985325395278
Energy: 1.482085932101384
Energy: 1.4380226050761329
Energy: 1.4695436417335221
Energy: 1.3338528689686333
Energy: 1.4695436417326335
Energy: 1.4982497326940025
Energy: 1.4814814187761132
Energy: 1.5018696116852879
Energy: 1.4814814187770013
Energy: 1.3181224678598826
Energy: 1.4590438237823995
Energy: 1.5170939280084832
Energy: 1.4590438237823995
Energy: 1.481342883000901
Energy: 1.43745659942346
Energy: 1.3295895573753467
Energy: 1.4374565994225712
Energy: 1.3177284081162144
Energy: 1.472683889428545
Energy: 1.4079206349419326
Energy: 1.472683889428545
Energy: 1.3179214126751566
Energy: 1.4865016703742007
Energy: 1.3191606752451508
Energy: 1.4865016703715352
Energy: 1.4094219203227427
Energy: 1.4421533960480997
Energy: 1.4974373265873608
Energy: 1.4421533960480997
Energy: 1.3178786541298293
Energy: 1.569994480075708
Energy: 1.6355789152687596
Energy: 1.5699944800748598
Energy: 1.4212631159249172
Energy: 1.4839853071227167
Energy: 1.3168987305392783
Energy: 1.4839853071236053
Energy: 1.3287586714493316
Energy: 1.4687849663682668
Energy: 1.5053887487420958
Energy: 1.468784966369155
Energy: 1.328354323639537
Energy: 1.4752053930979427
Energy: 1.5047084812287705
Energy: 1.4752053930988316
Energy: 1.5304889501061572
Energy: 1.485294212867416
Energy: 1.3180583699659965
Energy: 1.4852942128665276
Energy: 1.3176024031965212
Energy: 1.5262973365434895
Energy: 1.6664122025778196
Energy: 1.5262973365470431
Energy: 1.5091806928968143
Energy: 1.3695487819496093
Energy: 1.4990574011467488
Energy: 1.3695487819487207
Energy: 1.6177288442048616
Energy: 1.5813972532016602
Energy: 1.322557516821955
Energy: 1.5813972532025489
Energy: 1.338142363021622
Energy: 1.5110211098244346
Energy: 1.483384978903461
Energy: 1.5110211098235462

minimum gb energy = 1.3168987305392783 eV
minimum distance =  2.22367270673859 Angstroms
sigma value = 53


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

Energy: 1.2415738503194518
Energy: 1.2415462053868278
Energy: 1.8248209763038026
Energy: 1.2415462053868278
Energy: 1.5093434820728164
Energy: 1.3606203132983417
Energy: 1.4191682168761737
Energy: 1.360620313296296
Energy: 1.2427026850990928
Energy: 1.2409099068463394
Energy: 1.3107300062161003
Energy: 1.2409099068442941
Energy: 1.2425077440558636
Energy: 1.240949308609089
Energy: 1.310729678670447
Energy: 1.2409493086070438
Energy: 1.5092962008939046
Energy: 1.3605454733539362
Energy: 1.4184570597409718
Energy: 1.3605454733580271
Energy: 1.2415738503194518
Energy: 1.2415462053868278
Energy: 1.7285913771643229
Energy: 1.2415462053868278
Energy: 1.5093434820748617
Energy: 1.3606203132983417
Energy: 1.4931724389214118
Energy: 1.3606203132983417
Energy: 1.2427026850990928
Energy: 1.2409099068463394
Energy: 1.395439416298955
Energy: 1.2409099068463394
Energy: 1.2425077440538184
Energy: 1.240949308609089
Energy: 1.413899950245006
Energy: 1.240949308609089
Energy: 1.5092962008939046
Energy: 1.3605454733539362
Energy: 1.496049995575612
Energy: 1.3605454733559819
Energy: 1.2415738503194518
Energy: 1.2415462053868278
Energy: 1.666769067527518
Energy: 1.2415462053868278
Energy: 1.5093434820728164
Energy: 1.360620313296296
Energy: 1.4931724389214118
Energy: 1.360620313296296
Energy: 1.2427026850990928
Energy: 1.2409099068463394
Energy: 1.494498874562775
Energy: 1.2409099068463394

minimum gb energy = 1.2409099068442941 eV
minimum distance =  2.29687601669 Angstroms
sigma value = 9


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

Energy: 1.3764804173287604
Energy: 1.5769246394965029
Energy: 1.843524419373063
Energy: 1.5769246394942318
Energy: 1.5822829203006004
Energy: 1.4520777594634047
Energy: 1.3788736115173428
Energy: 1.4520777594634047
Energy: 1.3746723999540755
Energy: 1.364406303922333
Energy: 1.3807936393610065
Energy: 1.36440630392309
Energy: 1.5438525829076037
Energy: 1.6557865052445588
Energy: 1.380872495330513
Energy: 1.6557865052430447
Energy: 1.5617669020197633
Energy: 1.4432728108868988
Energy: 1.3795039398062456
Energy: 1.4432728108861417
Energy: 1.363023330569625
Energy: 1.363457950223378
Energy: 1.5497136162106386
Energy: 1.3634579502218638
Energy: 1.794929324465739
Energy: 1.4389920592905885
Energy: 1.3804671355620217
Energy: 1.4389920592921024
Energy: 1.3792464390822314
Energy: 1.4824537549053294
Energy: 1.5520589955884598
Energy: 1.4824537549045722
Energy: 1.3763135928992292
Energy: 1.6604516235343205
Energy: 1.3730106133341764
Energy: 1.6604516235343205
Energy: 1.37513426616959
Energy: 1.4430128615255926
Energy: 1.3801179686790936
Energy: 1.4430128615263496
Energy: 1.3789957294253048
Energy: 1.4816802636128346
Energy: 1.7979663533405623
Energy: 1.4816802636113202
Energy: 1.5678599133880475
Energy: 1.5773150296419374
Energy: 1.376176348073475
Energy: 1.5773150296411804
Energy: 1.3765120116816394
Energy: 1.4720123720672396
Energy: 1.6733603678479092
Energy: 1.4720123720679963
Energy: 1.5489568993257694
Energy: 1.6398156854188903
Energy: 1.381422567381328
Energy: 1.6398156854204045
Energy: 1.3803484351382274
Energy: 1.5457995004753038
Energy: 1.5466906273746337
Energy: 1.5457995004753038
Energy: 1.3792599590712449
Energy: 1.6415331467883818
Energy: 1.5569744632151787
Energy: 1.641533146789139
Energy: 1.4587387913864656
Energy: 1.5470942043112794
Energy: 1.3814428088709991
Energy: 1.5470942043127933
Energy: 1.3781185573287802
Energy: 1.4393839460114393
Energy: 1.5605061013621597
Energy: 1.4393839460114393
Energy: 1.5469055704788612
Energy: 1.470516378139066
Energy: 1.3648894623252041
Energy: 1.470516378138309
Energy: 1.3770213201725958
Energy: 1.4576339350954954
Energy: 1.471728448903256
Energy: 1.4576339350947385
Energy: 1.5529907535362637
Energy: 1.6521174975033173
Energy: 1.5471183688769716
Energy: 1.6521174975055886
Energy: 1.4795103426792513
Energy: 1.3753724237172764
Energy: 1.3764614400251216
Energy: 1.3753724237187903
Energy: 1.3732881224835987
Energy: 1.5416713645483333
Energy: 1.3777489788424475
Energy: 1.541671364546819
Energy: 1.811502544962721
Energy: 1.4740767369460688
Energy: 1.3783008202999159
Energy: 1.4740767369460688
Energy: 1.3802487151452578
Energy: 1.6004596339316606
Energy: 1.6913558483343512
Energy: 1.6004596339316606
Energy: 1.4734545852370853
Energy: 1.364245118856332
Energy: 1.3747980036226148
Energy: 1.3642451188601172
Energy: 1.5517746023404086
Energy: 1.548688995132081
Energy: 1.5436701612934869
Energy: 1.5486889951328382
Energy: 1.3906457359666036
Energy: 1.6608928931612554
Energy: 1.543873598922291
Energy: 1.6608928931627693
Energy: 1.4654046461565648
Energy: 1.3638075900008357
Energy: 1.3745409898458516
Energy: 1.3638075900031068
Energy: 1.3792041187152158
Energy: 1.600088493568865
Energy: 1.6984516939405956
Energy: 1.600088493568865
Energy: 1.7138960498307776
Energy: 1.4740911608610905
Energy: 1.3779928546224354
Energy: 1.4740911608595766
Energy: 1.377923923570192
Energy: 1.4421890752654225
Energy: 1.376498364192942
Energy: 1.4421890752654225
Energy: 1.3806288959133528
Energy: 1.3788566069546073
Energy: 1.3752388032883307
Energy: 1.3788566069530934
Energy: 1.557078090590635
Energy: 1.4792708093755833
Energy: 1.544447003497871
Energy: 1.4792708093763403
Energy: 1.3799653349182148
Energy: 1.5974142122956592
Energy: 1.7941043151169986
Energy: 1.5974142122956592

minimum gb energy = 1.363023330569625 eV
minimum distance =  2.24146508254833 Angstroms
sigma value = 73


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

Energy: 1.4701729854186778
Energy: 1.4696742708069583
Energy: 1.859979037449226
Energy: 1.469674270805757
Energy: 1.4856071860558797
Energy: 1.4940790844187686
Energy: 1.381292954991875
Energy: 1.4940790844187686
Energy: 1.3960165692746906
Energy: 1.3754007384998495
Energy: 1.3848169918583877
Energy: 1.3754007385010505
Energy: 1.3900319100851881
Energy: 1.3880654253737852
Energy: 1.3958695724772248
Energy: 1.388065425372584
Energy: 1.4702549189889458
Energy: 1.4960873356356146
Energy: 1.4543132315868361
Energy: 1.4960873356380169
Energy: 1.4012364487926163
Energy: 1.3860529110957713
Energy: 1.6770916037725445
Energy: 1.38605291109457
Energy: 1.7688133816426488
Energy: 1.5829690520643147
Energy: 1.3872481699394337
Energy: 1.582969052065516
Energy: 1.3857329971908217
Energy: 1.3674407586203077
Energy: 1.6495740925121776
Energy: 1.3674407586203077
Energy: 1.737215659502082
Energy: 1.3701436112074779
Energy: 1.3743676960386122
Energy: 1.3701436112062768
Energy: 1.389865281575636
Energy: 1.4964033901754719
Energy: 1.3888274346214449
Energy: 1.4964033901730698
Energy: 1.384074880793795
Energy: 1.3695919354746142
Energy: 1.6542853857931779
Energy: 1.369591935473413
Energy: 1.5515103997200645
Energy: 1.387903161070796
Energy: 1.3893783301516742
Energy: 1.3879031610731982
Energy: 1.3964155065382338
Energy: 1.4754854466070635
Energy: 1.6333821515249871
Energy: 1.4754854466070635
Energy: 1.722781616866997
Energy: 1.564439462520116
Energy: 1.4067685103183696
Energy: 1.564439462520116
Energy: 1.3850529776780787
Energy: 1.5935279808301281
Energy: 1.636645024247017
Energy: 1.5935279808289273
Energy: 1.6551386330553257
Energy: 1.3693348083812167
Energy: 1.3853761232877855
Energy: 1.3693348083824182
Energy: 1.4774152475595954
Energy: 1.4706790022424014
Energy: 1.3961868313607244
Energy: 1.4706790022436025
Energy: 1.4747515841048942
Energy: 1.3869247692880056
Energy: 1.3951961461431377
Energy: 1.3869247692880056
Energy: 1.5562728416783143
Energy: 1.368146334459725
Energy: 1.3878617944405283
Energy: 1.368146334460926
Energy: 1.3817969653634619
Energy: 1.5143486644961954
Energy: 1.7248440237307114
Energy: 1.5143486644949944
Energy: 1.703781956137161
Energy: 1.3850647266599765
Energy: 1.404849498655449
Energy: 1.3850647266611777
Energy: 1.3952881529049848
Energy: 1.4934446457020167
Energy: 1.5665441026800468
Energy: 1.4934446457008157

minimum gb energy = 1.3674407586203077 eV
minimum distance =  2.25640520354305 Angstroms
sigma value = 7


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

Energy: 1.4081467364735782
Energy: 1.4083640565117086
Energy: 1.8590954592200442
Energy: 1.408364056510859
Energy: 1.73705506162509
Energy: 1.4828586492919869
Energy: 1.3885019786053387
Energy: 1.4828586492885898
Energy: 1.3881224655940425
Energy: 1.408114817721216
Energy: 1.406767922053477
Energy: 1.408114817724613
Energy: 1.4512163731119332
Energy: 1.5002611057265371
Energy: 1.388166475712167
Energy: 1.500261105723989
Energy: 1.3870441250999035
Energy: 1.4768389129722101
Energy: 1.4182930138998853
Energy: 1.4768389129662651
Energy: 1.386970946629238
Energy: 1.4096879999851837
Energy: 1.7022635478590722
Energy: 1.4096879999902794
Energy: 1.5558053182728777
Energy: 1.552316123667608
Energy: 1.4369848969474308
Energy: 1.552316123667608
Energy: 1.3870762628786306
Energy: 1.4102501904171953
Energy: 1.7535201828407112
Energy: 1.410250190415497
Energy: 1.5707680555357266
Energy: 1.487432026343276
Energy: 1.3956229353342628
Energy: 1.487432026343276
Energy: 1.3835007517461675
Energy: 1.5123545195797103
Energy: 1.537721251472927
Energy: 1.5123545195780117
Energy: 1.431252764163717
Energy: 1.4104968596589806
Energy: 1.4378470016890958
Energy: 1.4104968596666243
Energy: 1.4336776585145898
Energy: 1.4767782373841474
Energy: 1.445715062797318
Energy: 1.4767782373765035
Energy: 1.4213582671293725
Energy: 1.4132199962335343
Energy: 1.4386353276578503
Energy: 1.4132199962335343
Energy: 1.4161574434498072
Energy: 1.4041330628058737
Energy: 1.4354802026041054
Energy: 1.4041330628067232
Energy: 1.3810046764060584
Energy: 1.631784231253416
Energy: 1.55890276850763
Energy: 1.6317842312525668
Energy: 1.8460414598929409
Energy: 1.4044709311620422
Energy: 1.3968473707508924
Energy: 1.4044709311611931
Energy: 1.3805660364288406
Energy: 1.4772012353241244
Energy: 1.4793321104908832
Energy: 1.477201235320727
Energy: 1.4048271640132475
Energy: 1.4624947014471215
Energy: 1.4403238089343553
Energy: 1.4624947014496699
Energy: 1.3806785780447668
Energy: 1.4109289370163527
Energy: 1.4434560492563695
Energy: 1.410928937017202
Energy: 1.3827072595747125
Energy: 1.480586140269567
Energy: 1.4410686997514004
Energy: 1.4805861402661697
Energy: 1.4321134349324158
Energy: 1.429668790084303
Energy: 1.3954744283499052
Energy: 1.429668790084303
Energy: 1.3827211778518853
Energy: 1.4082552380400797
Energy: 1.5447504805573913
Energy: 1.4082552380443265
Energy: 1.7077132509115123
Energy: 1.4881363014396725
Energy: 1.4385314874077522
Energy: 1.4881363014481657
Energy: 1.411484751587161
Energy: 1.4095949322494357
Energy: 1.6953575513040788
Energy: 1.4095949322561916
Energy: 1.4209333201977068
Energy: 1.48067823909022
Energy: 1.4366632697176018
Energy: 1.480678239089371
Energy: 1.4382177236993245
Energy: 1.409747025638632
Energy: 1.418602742300986
Energy: 1.409747025632687
Energy: 1.387763648910275
Energy: 1.5045145215738327
Energy: 1.553779910946445
Energy: 1.5045145215721343
Energy: 1.4577882902825956
Energy: 1.4769721822033808
Energy: 1.3882392040130727
Energy: 1.4769721822025312
Energy: 1.3898858944836066
Energy: 1.4096065931449837
Energy: 1.6088294888453178
Energy: 1.4096065931441344
Energy: 1.4109529516282036
Energy: 1.4285521164125101
Energy: 1.3879193873101838
Energy: 1.4285521164057156
Energy: 1.3895984139809592
Energy: 1.409560463431719
Energy: 1.6694502615166185
Energy: 1.4095604634232257

minimum gb energy = 1.3805660364288406 eV
minimum distance =  2.24146473775728 Angstroms
sigma value = 29


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

Energy: 1.3556603009787027
Energy: 1.3543814442540394
Energy: 1.8776373693761597
Energy: 1.3543814442528888
Energy: 1.3093844513754183
Energy: 1.3601935251109674
Energy: 1.3549474044231642
Energy: 1.3601935251112633
Energy: 1.3908681652518105
Energy: 1.4192737806957214
Energy: 1.493977279168717
Energy: 1.4192737806962803
Energy: 1.3621210567834765
Energy: 1.3144170512979183
Energy: 1.3576704821901167
Energy: 1.3144170512976552
Energy: 1.3560477621385212
Energy: 1.3949914235241256
Energy: 1.3931773007044708
Energy: 1.3949914235244214
Energy: 1.3560884245754865
Energy: 1.4176864116900223
Energy: 1.3558219943995722
Energy: 1.4176864116903183
Energy: 1.3552540835197877
Energy: 1.3950172675775026
Energy: 1.3560217585546714
Energy: 1.3950172675783572
Energy: 1.3577973938998587
Energy: 1.3135166694284364
Energy: 1.3559495128026964
Energy: 1.3135166694284364
Energy: 1.494001688997142
Energy: 1.4193315780011944
Energy: 1.393373653580522
Energy: 1.4193315780006024

minimum gb energy = 1.3093844513754183 eV
minimum distance =  2.28994307722434 Angstroms
sigma value = 5


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

Energy: 1.344196706504004
Energy: 1.3424460528183186
Energy: 1.8184670355704995
Energy: 1.3424460528191209
Energy: 1.5336168782603918
Energy: 1.4150757716981235
Energy: 1.2831125323597645
Energy: 1.4150757716957167
Energy: 1.2974470521468553
Energy: 1.3434594170500196
Energy: 1.5507210223058658
Energy: 1.3434594170524263
Energy: 1.3254169521118375
Energy: 1.4060142388333854
Energy: 1.3146633561373327
Energy: 1.4060142388277692
Energy: 1.3122035274259252
Energy: 1.412861502385402
Energy: 1.6390402551124024
Energy: 1.412861502385402
Energy: 1.3371668206045113
Energy: 1.3513584609748037
Energy: 1.302784880787179
Energy: 1.3513584609691878
Energy: 1.3012768400309913
Energy: 1.4207921305254971
Energy: 1.3004936645649983
Energy: 1.420792130527904
Energy: 1.3111817485615958
Energy: 1.3530457684799635
Energy: 1.2950742598634855
Energy: 1.3530457684855794
Energy: 1.3131984547322777
Energy: 1.4095382956724987
Energy: 1.2988685340373343
Energy: 1.409538295673301
Energy: 1.3241626353774094
Energy: 1.409394595033262
Energy: 1.3406536243782727
Energy: 1.409394595030855
Energy: 1.3175130396892358
Energy: 1.353493622883099
Energy: 1.294520001755737
Energy: 1.3534936228798895
Energy: 1.304909061023836
Energy: 1.3632050884898812
Energy: 1.4832867828953753
Energy: 1.3632050884898812
Energy: 1.3530327485707638
Energy: 1.3501752823474225
Energy: 1.3495140753086023
Energy: 1.3501752823474225
Energy: 1.3037970748811083
Energy: 1.3505998546065945
Energy: 1.406240906481685
Energy: 1.350599854600176
Energy: 1.6317025113975865
Energy: 1.4093849940713896
Energy: 1.2947861902552418
Energy: 1.4093849940705874
Energy: 1.3178187289802636
Energy: 1.3317326098451119
Energy: 1.5441506730526577
Energy: 1.3317326098467164
Energy: 1.548004523202265
Energy: 1.4178558827800174
Energy: 1.3032443410032108
Energy: 1.4178558827784127
Energy: 1.3073798126007017
Energy: 1.351072805535292
Energy: 1.441321183048834
Energy: 1.3510728055328853
Energy: 1.3165009494433424
Energy: 1.4225826734991378
Energy: 1.3059753142805444
Energy: 1.4225826734919176
Energy: 1.2936810475168652
Energy: 1.411918237770833
Energy: 1.334148421833301
Energy: 1.4119182377676238
Energy: 1.289679869381377
Energy: 1.3517838987726347
Energy: 1.3188694402812422
Energy: 1.3517838987686233
Energy: 1.3186789761657922
Energy: 1.4079114062140157
Energy: 1.3123337097007348
Energy: 1.4079114062116087
Energy: 1.2866380233838903
Energy: 1.3518396461972324
Energy: 1.2889335550776297
Energy: 1.3518396461980349
Energy: 1.4664851886839232
Energy: 1.3485387025073596
Energy: 1.3105292404699014
Energy: 1.348538702502546
Energy: 1.4746736829533378
Energy: 1.3277726826586222
Energy: 1.297030512785296
Energy: 1.3277726826546106
Energy: 1.3324204325043913
Energy: 1.3504603759707026
Energy: 1.3035782843201125
Energy: 1.3504603759699003
Energy: 1.286586302221285
Energy: 1.3982235639128247
Energy: 1.4266447341937862
Energy: 1.3982235639088132
Energy: 1.355666928869019
Energy: 1.390430520362517
Energy: 1.3156616457712222
Energy: 1.3904305203552962
Energy: 1.29389606871725
Energy: 1.4168295570641347
Energy: 1.4416680551874104
Energy: 1.4168295570625302
Energy: 1.543208049825687
Energy: 1.3500192674855402
Energy: 1.3119355204709335
Energy: 1.3500192674831333
Energy: 1.3101662055298555
Energy: 1.334882013818147
Energy: 1.450706194500088
Energy: 1.3348820138197515
Energy: 1.5435905110658357
Energy: 1.3905043524508471
Energy: 1.3019303219620955
Energy: 1.3905043524540561
Energy: 1.3222395435983694
Energy: 1.47204656194894
Energy: 1.291417838074166
Energy: 1.4720465619457308

minimum gb energy = 1.2831125323597645 eV
minimum distance =  2.23555983856495 Angstroms
sigma value = 1


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

Energy: 1.2922942571867895
Energy: 1.292087513901579
Energy: 1.8385306090808067
Energy: 1.2920875139004697
Energy: 1.3255455151278615
Energy: 1.3173079716799392
Energy: 1.2513133171167237
Energy: 1.31730797167883
Energy: 1.2272841850858105
Energy: 1.2920216519413035
Energy: 1.4598780255279984
Energy: 1.2920216519424128
Energy: 1.3137892546997518
Energy: 1.3735366359173538
Energy: 1.238803851665286
Energy: 1.373536635914026
Energy: 1.2261157653282702
Energy: 1.4178940169387928
Energy: 1.2782623083956375
Energy: 1.4178940169410115
Energy: 1.2227094890991275
Energy: 1.296375972371778
Energy: 1.2384697320051354
Energy: 1.2963759723739967
Energy: 1.2260545555752242
Energy: 1.4167321475499757
Energy: 1.2880133503682714
Energy: 1.4167321475510848
Energy: 1.2262076051466968
Energy: 1.296101432366409
Energy: 1.3366256199473936
Energy: 1.2961014323675182
Energy: 1.2917763998648075
Energy: 1.2829637852127442
Energy: 1.2966624692600726
Energy: 1.2829637852127442
Energy: 1.2916656889023763
Energy: 1.282734316387964
Energy: 1.3157572282779355
Energy: 1.282734316389073
Energy: 1.2262394679291169
Energy: 1.2959742060973998
Energy: 1.266194740417702
Energy: 1.2959742061007276
Energy: 1.2261321309624522
Energy: 1.4166847506338833
Energy: 1.2886078988942327
Energy: 1.4166847506372113
Energy: 1.2225183633332406
Energy: 1.2966714098408174
Energy: 1.2383760489533802
Energy: 1.296671409839708
Energy: 1.2260811464443793
Energy: 1.4178168429133624
Energy: 1.2900909002573226
Energy: 1.4178168429155809
Energy: 1.31326187605834
Energy: 1.373619340199387
Energy: 1.2388060131397831
Energy: 1.3736193402016057
Energy: 1.2273066445769434
Energy: 1.2922266822181852
Energy: 1.3711440840160334
Energy: 1.2922266822259503
Energy: 1.3254014521987112
Energy: 1.3174189647729393
Energy: 1.251240948411565
Energy: 1.3174189647740489
Energy: 1.2922942571867895
Energy: 1.292087513901579
Energy: 1.5569363439542496
Energy: 1.2920875138993606
Energy: 1.3255455151267521
Energy: 1.3173079716810485
Energy: 1.2513133171156143
Energy: 1.3173079716799392
Energy: 1.2272841850847014
Energy: 1.2920216519413035
Energy: 1.7056316516739796
Energy: 1.2920216519413035
Energy: 1.313789254708626
Energy: 1.3735366359173538
Energy: 1.2388038516663955
Energy: 1.3735366359151353
Energy: 1.2261157653271613
Energy: 1.4178940169387928
Energy: 1.2534040503529673
Energy: 1.4178940169410115
Energy: 1.2227094890991275
Energy: 1.296375972371778
Energy: 1.2384697320051354
Energy: 1.2963759723739967
Energy: 1.2260545555752242
Energy: 1.4167321475499757
Energy: 1.301282163415466
Energy: 1.4167321475510848

minimum gb energy = 1.2225183633332406 eV
minimum distance =  2.25615167683838 Angstroms
sigma value = 17


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

Energy: 1.2814374684534378
Energy: 1.2814714469045736
Energy: 1.8029375421594742
Energy: 1.281471446903888
Energy: 1.4955048147169765
Energy: 1.2637696312265456
Energy: 1.2409165859488813
Energy: 1.263769631218318
Energy: 1.2375494365709274
Energy: 1.267721125448843
Energy: 1.533456942034382
Energy: 1.2677211254522711
Energy: 1.2953994043756807
Energy: 1.226937659955214
Energy: 1.234518518306786
Energy: 1.2269376599641273
Energy: 1.232223968743703
Energy: 1.3653705331306334
Energy: 1.2991498510790465
Energy: 1.3653705331340615
Energy: 1.230173839355839
Energy: 1.2423043053831269
Energy: 1.249859942098766
Energy: 1.2423043053879261
Energy: 1.2463395703142672
Energy: 1.3457224446157623
Energy: 1.2681594626829877
Energy: 1.3457224446150764
Energy: 1.2250645716749071
Energy: 1.3308197103343222
Energy: 1.239299647119616
Energy: 1.330819710335008
Energy: 1.2836142084585573
Energy: 1.325322904609979
Energy: 1.3080263871953062
Energy: 1.3253229046127215
Energy: 1.2869114028184923
Energy: 1.3257802030968342
Energy: 1.242149985076118
Energy: 1.3257802030968342
Energy: 1.2369274758944142
Energy: 1.3021633630830634
Energy: 1.2367060669871788
Energy: 1.302163363083749
Energy: 1.2394780515313994
Energy: 1.3345825211014708
Energy: 1.2489006558073599
Energy: 1.3345825211014708
Energy: 1.2274370024722259
Energy: 1.3142835876575396
Energy: 1.246044062893821
Energy: 1.3142835876554826
Energy: 1.244751870345418
Energy: 1.3632466210228276
Energy: 1.2813565746643978
Energy: 1.363246621022142
Energy: 1.2361013995862724
Energy: 1.2335029171778433
Energy: 1.293338106458436
Energy: 1.2335029170483205
Energy: 1.2368307220238597
Energy: 1.2693953836089906
Energy: 1.2797258273921035
Energy: 1.2693953836083052
Energy: 1.2595850663320862
Energy: 1.2379539284772658
Energy: 1.2464234506521883
Energy: 1.237953928473152
Energy: 1.2284561562841574
Energy: 1.282218234798849
Energy: 1.2541628472994995
Energy: 1.2822182347995346
Energy: 1.4476464244425205
Energy: 1.3406796256617353
Energy: 1.235232799188356
Energy: 1.3406796256624207
Energy: 1.2439231708313916
Energy: 1.2687363458101613
Energy: 1.316683040935606
Energy: 1.2687363458122178
Energy: 1.2586318317125111
Energy: 1.2542984300400397
Energy: 1.2299183057812966
Energy: 1.2542984300386684
Energy: 1.2289072992675298
Energy: 1.28312111302156
Energy: 1.3997612140017859
Energy: 1.2831211130208744
Energy: 1.2803119212393919
Energy: 1.2418772324909402
Energy: 1.2460441678841352
Energy: 1.2418772324895688
Energy: 1.2361904454617092
Energy: 1.3483933322176977
Energy: 1.4616169767100473
Energy: 1.34839333222044
Energy: 1.2727254438852589
Energy: 1.282419097657439
Energy: 1.230751279363341
Energy: 1.2824190976594958
Energy: 1.2476420164328514
Energy: 1.3670153819307758
Energy: 1.2482133351483606
Energy: 1.3670153819307758
Energy: 1.4420407150294978
Energy: 1.3186218873910247
Energy: 1.2389231134466938
Energy: 1.3186218873930817
Energy: 1.2971142687930284
Energy: 1.4603443890683978
Energy: 1.2389717743328095
Energy: 1.4603443890670267
Energy: 1.2818875918463832
Energy: 1.3629770416405143
Energy: 1.2511783335591307
Energy: 1.3629770416432567
Energy: 1.2481294905063935
Energy: 1.3141993538844985
Energy: 1.30995266497983
Energy: 1.3141993538831271
Energy: 1.2370393381601459
Energy: 1.3630369202209087
Energy: 1.2396048007341345
Energy: 1.3630369202181662
Energy: 1.2395542917167606
Energy: 1.3047039464213646
Energy: 1.2319655534867433
Energy: 1.3047039464158798
Energy: 1.2386767901968412
Energy: 1.3264232212717082
Energy: 1.4715803612844396
Energy: 1.3264232212723936
Energy: 1.311820954884173
Energy: 1.4786929129015205
Energy: 1.2482825036195049
Energy: 1.4786929129015205
Energy: 1.2334356545390237
Energy: 1.283800288152146
Energy: 1.282529032873218
Energy: 1.2838002881542028
Energy: 1.2745966928687893
Energy: 1.3480287979210919
Energy: 1.2443082575360405
Energy: 1.34802879792452
Energy: 1.246153519264555
Energy: 1.2432954476458413
Energy: 1.233640507835671
Energy: 1.2432954476505782
Energy: 1.2793218168473435
Energy: 1.3675713521158979
Energy: 1.2501541454597929
Energy: 1.3675713521165833

minimum gb energy = 1.2250645716749071 eV
minimum distance =  2.24786342811546 Angstroms
sigma value = 89


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

Energy: 1.1330074444983531
Energy: 1.1328745975219952
Energy: 1.8230874269300228
Energy: 1.1328745975219952
Energy: 1.14983882404261
Energy: 1.1676107113943817
Energy: 1.1519453865670408
Energy: 1.1676107113943817
Energy: 1.1492129276319865
Energy: 1.3420295574677432
Energy: 1.8894125663550365
Energy: 1.3420295574677432
Energy: 1.1387811495011746
Energy: 1.167601555774019
Energy: 1.152338105413005
Energy: 1.1676015557722248
Energy: 1.1488583218183879
Energy: 1.2566216420502054
Energy: 1.2380868515335333
Energy: 1.2566216420484115
Energy: 1.1489145970692587
Energy: 1.1344165541799887
Energy: 1.1371776822643058
Energy: 1.1344165541799887
Energy: 1.1496075821466563
Energy: 1.3418743847691155
Energy: 1.1332646994843167
Energy: 1.3418743847691155
Energy: 1.164108878109021
Energy: 1.2219848531091015
Energy: 1.1524323792034747
Energy: 1.2219848531073074
Energy: 1.1491226324128556
Energy: 1.2571231454583318
Energy: 1.1799837134440119
Energy: 1.2571231454583318
Energy: 1.1697695530807275
Energy: 1.1333286825790465
Energy: 1.1496835363419298
Energy: 1.1333286825790465
Energy: 1.1328571176536881
Energy: 1.1688501104408457
Energy: 1.1490425552521573
Energy: 1.1688501104408457
Energy: 1.1327938732561458
Energy: 1.3426573899450913
Energy: 1.1528814574004527
Energy: 1.3426573899450913
Energy: 1.149027317060544
Energy: 1.136298531688819
Energy: 1.1376442642243885
Energy: 1.136298531688819
Energy: 1.1348409352843776
Energy: 1.2534255417264255
Energy: 1.1339072016575986
Energy: 1.2534255417264255
Energy: 1.1609570268274423
Energy: 1.136362823427623
Energy: 1.1493617289945137
Energy: 1.136362823427623

minimum gb energy = 1.1327938732561458 eV
minimum distance =  2.26698419360911 Angstroms
sigma value = 13


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

Energy: 1.1337397761624946
Energy: 1.0943157579535894
Energy: 1.736118067574339
Energy: 1.0943157579543414
Energy: 1.3227141266013027
Energy: 1.120879479409395
Energy: 1.0913514781644091
Energy: 1.1208794794108987
Energy: 1.096308634766625
Energy: 1.0949177758870459
Energy: 1.3204670734346624
Energy: 1.09491777590434
Energy: 1.0993739576268662
Energy: 1.3131090975942923
Energy: 1.085337867487678
Energy: 1.3131090975875253
Energy: 1.1027243988853677
Energy: 1.186628247745602
Energy: 1.1573525297880163
Energy: 1.186628247735827
Energy: 1.0863731949999285
Energy: 1.1207011393586657
Energy: 1.1098587904513493
Energy: 1.120701139364681
Energy: 1.1030796254711321
Energy: 1.1864179118252411
Energy: 1.3172044895164634
Energy: 1.1864179118320082
Energy: 1.0793549618267821
Energy: 1.3132252225058225
Energy: 1.1101388700006791
Energy: 1.313225222511838
Energy: 1.109520848723354
Energy: 1.186746424711755
Energy: 1.407923666108693
Energy: 1.1867464247042359
Energy: 1.3075325790116776
Energy: 1.392890459432134
Energy: 1.085353747547046
Energy: 1.3928904594223592
Energy: 1.103088667795703
Energy: 1.2089550876915456
Energy: 1.107549877974642
Energy: 1.2089550876832744
Energy: 1.1374524473148977
Energy: 1.2081512255731577
Energy: 1.0834333849777573
Energy: 1.2081512255769173
Energy: 1.1451426192149594
Energy: 1.113137112715699
Energy: 1.1150223501911807
Energy: 1.1131371127329932
Energy: 1.5166344288867397
Energy: 1.2079968117559208
Energy: 1.0839371633861712
Energy: 1.207996811753665
Energy: 1.1030499121034398
Energy: 1.094746189172323
Energy: 1.0993423440518306
Energy: 1.0947461891700674
Energy: 1.093038976526391
Energy: 1.208419482738384
Energy: 1.0883403119516
Energy: 1.2084194827466552
Energy: 1.1091041077487969
Energy: 1.1785983590674665
Energy: 1.0902414704663306
Energy: 1.1785983590659626
Energy: 1.1048251630819375
Energy: 1.1824051689812414
Energy: 1.1233643566570264
Energy: 1.1824051689827453
Energy: 1.1086258117009347
Energy: 1.114341493077547
Energy: 1.1235976358589188
Energy: 1.114341493076795
Energy: 1.1086661235051505
Energy: 1.1146038780159644
Energy: 1.1235323834884723
Energy: 1.114603878017468
Energy: 1.1047167303841992
Energy: 1.1824810530655405
Energy: 1.1234086677966635
Energy: 1.1824810530693002
Energy: 1.109280820903013
Energy: 1.1785719684706306
Energy: 1.0889877503529213
Energy: 1.1785719684691265
Energy: 1.0929588352240478
Energy: 1.208714407063065
Energy: 1.0890193353673654
Energy: 1.2087144070675766
Energy: 1.1031096833886496
Energy: 1.0946265832738102
Energy: 1.096191472143669
Energy: 1.0946265832813296
Energy: 1.5161100538070482
Energy: 1.2079827077300085
Energy: 1.0838553332653833
Energy: 1.2079827077360241
Energy: 1.1476813959219023
Energy: 1.1134602068776875
Energy: 1.0948406840986622
Energy: 1.1134602068641528
Energy: 1.1373416111219627
Energy: 1.208283065619351
Energy: 1.0831410867972704
Energy: 1.2082830656238623
Energy: 1.109352229626333
Energy: 1.2092056282265788
Energy: 1.1081603149526398
Energy: 1.2092056282265788
Energy: 1.3077735511781903
Energy: 1.393143931801726
Energy: 1.0853446741391175
Energy: 1.3931439318107492
Energy: 1.1097666511495086
Energy: 1.1867370616748554
Energy: 1.5156613743784542
Energy: 1.186737061669592
Energy: 1.0796171898457285
Energy: 1.3129836173480722
Energy: 1.1100248567840296
Energy: 1.312983617361607
Energy: 1.103095873274245
Energy: 1.1864854419968842
Energy: 1.3161947414002184
Energy: 1.1864854420028998
Energy: 1.086265431413227
Energy: 1.1208324239271312
Energy: 1.1098866677066834
Energy: 1.1208324239308909
Energy: 1.1030623738831047
Energy: 1.1868862310407806
Energy: 1.1607656253465262
Energy: 1.186886231043036
Energy: 1.0990154776410566
Energy: 1.3132225735997902
Energy: 1.0854109800045824
Energy: 1.3132225735915188

minimum gb energy = 1.0793549618267821 eV
minimum distance =  2.21506207590895 Angstroms
sigma value = 37


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

Energy: 1.0384719934571145
Energy: 1.0380934443857586
Energy: 1.7330599350918867
Energy: 1.038093444384465
Energy: 1.116568791528726
Energy: 1.1694701247746435
Energy: 1.0011378862044769
Energy: 1.1694701247759371
Energy: 0.9906115672528888
Energy: 1.0764605354456036
Energy: 1.7183594154139443
Energy: 1.0764605354456036
Energy: 0.9997512669712227
Energy: 1.046548255870857
Energy: 1.001317102935581
Energy: 1.0465482558734445
Energy: 0.9993848151821795
Energy: 1.0378503865370101
Energy: 1.0458495931346328
Energy: 1.0378503865370101
Energy: 0.9944168345186111
Energy: 1.1690130550774394
Energy: 0.9941868880750734
Energy: 1.1690130550774394
Energy: 1.0008558841901236
Energy: 1.1080390823881143
Energy: 1.11610402563575
Energy: 1.1080390823881143
Energy: 0.9997490342095393
Energy: 1.0390902917449965
Energy: 1.0422195121848383
Energy: 1.0390902917449965
Energy: 0.9997545582037513
Energy: 1.1684563822439376
Energy: 1.5056262773970746
Energy: 1.1684563822439376
Energy: 1.3960331909200616
Energy: 1.0780597861620562
Energy: 0.9941830169797584
Energy: 1.0780597861620562
Energy: 1.0026304844565253
Energy: 1.088084100578067
Energy: 1.000774328648829
Energy: 1.088084100578067
Energy: 1.3652825891481752
Energy: 1.0383648939422871
Energy: 1.001182478382417
Energy: 1.0383648939422871
Energy: 0.9907936394921973
Energy: 1.168410130097803
Energy: 1.0134443898352938
Energy: 1.1684101300990966
Energy: 1.32420297323296
Energy: 1.0881845510690635
Energy: 0.9993776472436353
Energy: 1.0881845510690635
Energy: 1.0375862694273859
Energy: 1.0869443812566038
Energy: 0.9996149656023262
Energy: 1.0869443812578974
Energy: 1.0383027914250909
Energy: 1.1690053257684712
Energy: 1.0014592782879155
Energy: 1.1690053257684712
Energy: 0.9907785341711282
Energy: 1.1686756504654157
Energy: 0.9942825462246969
Energy: 1.1686756504641218
Energy: 0.9911400862150025
Energy: 1.0865901074472124
Energy: 0.9992629614461999
Energy: 1.086590107448506
Energy: 1.0012546020550337
Energy: 1.0401326421633488
Energy: 0.9914981849438275
Energy: 1.0401326421646424
Energy: 0.9913613368020842
Energy: 1.038404182539398
Energy: 0.9907087514652047
Energy: 1.038404182539398

minimum gb energy = 0.9906115672528888 eV
minimum distance =  2.28304244997752 Angstroms
sigma value = 25


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

Energy: 1.0977157388611678
Energy: 1.0449407074055053
Energy: 1.6342381065289904
Energy: 1.0449407074055053
Energy: 1.304357310156428
Energy: 1.0571720583396296
Energy: 0.9170294444393251
Energy: 1.0571720583386195
Energy: 1.0425923210964616
Energy: 0.9282012646015465
Energy: 1.2059996377970612
Energy: 0.9282012646005364
Energy: 1.1061379503989246
Energy: 1.076186406980422
Energy: 0.9226401601671527
Energy: 1.0761864069834526
Energy: 0.9333560610232583
Energy: 0.9380160291892716
Energy: 1.0517803372353804
Energy: 0.9380160291912919
Energy: 1.0199063428641886
Energy: 1.042900319560014
Energy: 0.9332476445738238
Energy: 1.042900319560014
Energy: 0.9199462710254773
Energy: 0.9110489772645671
Energy: 1.0783039861454087
Energy: 0.9110489772635568
Energy: 0.90632936447564
Energy: 1.0833635042687977
Energy: 1.0445224719705268
Energy: 1.0833635042687977
Energy: 0.9185597574025657
Energy: 0.9442256875302102
Energy: 1.4092781892942288
Energy: 0.9442256875302102
Energy: 0.8904217723740132
Energy: 1.0393012118738794
Energy: 0.9670788902076587
Energy: 1.0393012118748894
Energy: 0.9198701278846717
Energy: 0.9112186215031557
Energy: 1.412267915503567
Energy: 0.9112186215011352
Energy: 1.207108294099992
Energy: 1.2938189016223043
Energy: 1.044528829971736
Energy: 1.2938189016262993
Energy: 0.9247977715763451
Energy: 0.9552950342364867
Energy: 1.417197472152939
Energy: 0.9552950342374971
Energy: 1.2088972760233543
Energy: 1.1364471682967467
Energy: 0.9332358365499566
Energy: 1.1364471682957367
Energy: 0.9367561071892461
Energy: 0.9120198208003022
Energy: 1.0208970094278784
Energy: 0.9120198207922208
Energy: 1.3300504167235006
Energy: 1.2941509336152297
Energy: 0.9180308402217948
Energy: 1.2941509336152297
Energy: 1.0501212200811443
Energy: 1.0832641939632817
Energy: 0.906751051855972
Energy: 1.083264193959241
Energy: 1.3140982048239782
Energy: 0.9357714661478276
Energy: 0.9170129138896068
Energy: 0.9357714661427767
Energy: 1.1051932993838762
Energy: 0.9291844381323172
Energy: 0.8970618657730046
Energy: 0.929184438131307
Energy: 1.511273633241491
Energy: 1.1863917408918963
Energy: 0.9180684524236249
Energy: 1.1863917408939166
Energy: 1.050380502025723
Energy: 1.0706232339430262
Energy: 0.8929204719066004
Energy: 1.0706232339399955
Energy: 1.0440591429137724
Energy: 0.9555064767268048
Energy: 0.9265205533386862
Energy: 0.9555064767227641
Energy: 0.9370490274646366
Energy: 1.0177098438114303
Energy: 1.2084146689012614
Energy: 1.0177098438094099
Energy: 1.03729829881403
Energy: 1.0737681023962111
Energy: 0.9316766232092418
Energy: 1.0737681023982313
Energy: 0.9176568865895295
Energy: 1.07111116713681
Energy: 1.3226256350216516
Energy: 1.07111116713681
Energy: 0.8986337178688267
Energy: 0.9655729099779733
Energy: 1.0425076100607304
Energy: 0.9655729099749428

minimum gb energy = 0.8904217723740132 eV
minimum distance =  2.28644731938289 Angstroms
sigma value = 41


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

Energy: 1.2427669795152012
Energy: 0.8547781671418946
Energy: 1.586188776432884
Energy: 0.8547781671427227
Energy: 1.2696077036644633
Energy: 0.8361206906386187
Energy: 0.827615062577123
Energy: 0.8361206906377905
Energy: 0.8524476784465268
Energy: 0.8246680133132469
Energy: 1.0241032307319649
Energy: 0.8246680133157315
Energy: 1.0762033784037448
Energy: 0.8366041235584337
Energy: 0.8276063870507896
Energy: 0.8366041235609184
Energy: 0.8218680690397369
Energy: 1.0667621369044769
Energy: 0.8470245898501859
Energy: 1.0667621369053049
Energy: 0.8435455870807385
Energy: 1.0346800640566645
Energy: 0.8277096767321068
Energy: 1.0346800640608051
Energy: 0.8266718186335911
Energy: 1.0343339416025572
Energy: 0.863244965366246
Energy: 1.0343339416050419
Energy: 0.8117145005411808
Energy: 0.8536283263358758
Energy: 0.8232476303519141
Energy: 0.8536283263358758
Energy: 0.8308201814581715
Energy: 0.8549661861310162
Energy: 1.1621494440395697
Energy: 0.8549661861277034
Energy: 0.81400758270179
Energy: 0.8254927332833731
Energy: 0.8537380480757824
Energy: 0.825492733282545
Energy: 0.8267584188630624
Energy: 0.8362610844219396
Energy: 1.4289742607299554
Energy: 0.8362610844219396
Energy: 0.812302692041995
Energy: 0.856181807773347
Energy: 1.2441337368903544
Energy: 0.856181807769206
Energy: 0.830885741656501
Energy: 0.9452344444252745
Energy: 1.515136282124381
Energy: 0.9452344444211335
Energy: 1.0669500770257574
Energy: 0.9544943681084875
Energy: 0.8536856305048638
Energy: 0.9544943681084875
Energy: 0.8266838853932827
Energy: 0.8362954366963873
Energy: 1.2568129004368513
Energy: 0.8362954366972154
Energy: 1.0697150112528162
Energy: 1.0470001267368387
Energy: 0.8231147461961298
Energy: 1.0470001267409796
Energy: 0.8309428190733695
Energy: 0.9413436390531786
Energy: 1.149723190624369
Energy: 0.9413436390531786
Energy: 1.0666596886139668
Energy: 0.9394905928947104
Energy: 0.8279610663837425
Energy: 0.9394905928980231
Energy: 0.8267175644889809
Energy: 0.8536182600368583
Energy: 0.8120055230119813
Energy: 0.85361826003603
Energy: 1.071302083784833
Energy: 1.0477943029633778
Energy: 0.8307168346297881
Energy: 1.0477943029609684
Energy: 0.8574188472519776
Energy: 0.9410350870877732
Energy: 0.8187112293910201
Energy: 0.9410350870902576
Energy: 1.4239953412394288
Energy: 0.8762519127704407
Energy: 0.8276814893330825
Energy: 0.8762519127729252
Energy: 1.2472451667250282
Energy: 1.0500075243643388
Energy: 0.8204801282589683
Energy: 1.0500075243635107
Energy: 1.2693130633992684
Energy: 1.1293343438365682
Energy: 0.830556500723545
Energy: 1.1293343438365682
Energy: 0.8571687300507106
Energy: 0.9416880214046126
Energy: 0.8143484305863335
Energy: 0.9416880214046126
Energy: 1.24994978886439
Energy: 0.8754846527267681
Energy: 0.8276055665906751
Energy: 0.8754846527267681
Energy: 0.8267701685572989
Energy: 1.0471728350750338
Energy: 1.069408420728404
Energy: 1.047172835079175
Energy: 0.8225684871623554
Energy: 0.9407064773362096
Energy: 0.831232457938689
Energy: 0.9407064773370377
Energy: 0.8309166649063987
Energy: 0.9419366759594683
Energy: 1.0667428470483085
Energy: 0.9419366759578119
Energy: 0.8163657926591419
Energy: 0.9882545661704297
Energy: 0.8322752537873107
Energy: 0.9882545661704297
Energy: 0.8345704111901294
Energy: 1.0479741051845917
Energy: 1.0746918168033877
Energy: 1.0479741051895608
Energy: 0.8113964313981349
Energy: 0.9404720876165801
Energy: 0.8624116540555836
Energy: 0.9404720876165801

minimum gb energy = 0.8113964313981349 eV
minimum distance =  2.27999142853484 Angstroms
sigma value = 15


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

Energy: 1.1277377850700914
Energy: 0.7799582201616487
Energy: 1.5420090712493466
Energy: 0.7799582201637534
Energy: 1.2979542673312245
Energy: 0.7764362662232206
Energy: 0.7769812831179028
Energy: 0.7764362662218176
Energy: 0.8032946818307998
Energy: 0.7751462814025647
Energy: 1.518250045869018
Energy: 0.7751462813976536
Energy: 1.1433222260112534
Energy: 0.7773566645357995
Energy: 0.7770607191971776
Energy: 0.7773566645343964
Energy: 0.7733825699332717
Energy: 0.8589628373789273
Energy: 0.7828922464699677
Energy: 0.8589628373775241
Energy: 1.1158359825863025
Energy: 0.7766757368453677
Energy: 0.7769602562185793
Energy: 0.7766757368467709
Energy: 0.7762662758194233
Energy: 0.9527173613025949
Energy: 0.7819572086290656
Energy: 0.9527173613061029
Energy: 0.932985435419508
Energy: 0.7891634831126931
Energy: 0.7770603430532714
Energy: 0.7891634831133946
Energy: 0.7791536758741026
Energy: 0.7910229651115339
Energy: 1.1363399274591652
Energy: 0.7910229651101308
Energy: 0.7493718915460147
Energy: 0.7745538427040729
Energy: 0.7739994019997044
Energy: 0.774553842708984
Energy: 0.776167713122151
Energy: 0.7769426522057441
Energy: 1.1438819580765913
Energy: 0.7769426522085505
Energy: 0.756103955993613
Energy: 0.7756434054290338
Energy: 0.8043433778226846
Energy: 0.7756434054283323
Energy: 0.7792146085126354
Energy: 0.7917000172740728
Energy: 1.373588567949692
Energy: 0.7917000172740728
Energy: 0.7500003987746983
Energy: 0.7799407498567804
Energy: 1.1289874604301855
Energy: 0.7799407498511677
Energy: 0.7762852460047939
Energy: 0.7768433118549858
Energy: 1.4421414538905777
Energy: 0.7768433118556873
Energy: 0.887331518925036
Energy: 0.7760033996273129
Energy: 0.803985254054709
Energy: 0.7760033996294177
Energy: 0.779150585535464
Energy: 0.7910811187838405
Energy: 1.4351788611759881
Energy: 0.79108111878805
Energy: 0.9704977197345154
Energy: 0.8559978190652164
Energy: 0.7739311928881011
Energy: 0.8559978190687243
Energy: 0.7765400206055066
Energy: 0.7752723330084003
Energy: 1.1158278824739059
Energy: 0.7752723330084003
Energy: 0.9673287442778664
Energy: 0.944035352853913
Energy: 0.7767676688096107
Energy: 0.944035352855316
Energy: 0.778995699212809
Energy: 0.8053690870846287
Energy: 1.0500771930298043
Energy: 0.805369087082524
Energy: 0.9706654992632677
Energy: 0.78940340597934
Energy: 0.7825828460220944
Energy: 0.7894034060234759
Energy: 0.7761718245627908
Energy: 0.7741020398657689
Energy: 0.7765112638521119
Energy: 0.7741020398629623
Energy: 1.3304130891263155
Energy: 0.9433122610708647
Energy: 0.7770134537117007
Energy: 0.9433122610589377
Energy: 0.8061402479536713
Energy: 0.8037875630782912
Energy: 0.7781939038287796
Energy: 0.8037875630775896
Energy: 1.297924101487605
Energy: 0.7889883487412288
Energy: 0.7824536947850879
Energy: 0.7889883487398257
Energy: 1.1308191941032784
Energy: 0.7747297043790813
Energy: 0.7746624833166863
Energy: 0.7747297043797828
Energy: 1.4373850337832972
Energy: 0.9409708435983892
Energy: 0.776994498843548
Energy: 0.940970843574599
Energy: 0.8060861265470095
Energy: 0.881045090253004
Energy: 0.7511876280512856
Energy: 0.8810450902487946
Energy: 1.1422792506930193
Energy: 0.7901182652667412
Energy: 0.7825900361819443
Energy: 0.7901182652695478
Energy: 0.7763585590057452
Energy: 0.8539468458901588
Energy: 0.9899994081499277
Energy: 0.8539468458845462
Energy: 1.1318481305382737
Energy: 0.7746469162031832
Energy: 0.7768711984147412
Energy: 0.774646916189853
Energy: 0.7792397244764339
Energy: 0.8808460762028125
Energy: 0.986001157445687
Energy: 0.8808460762056189
Energy: 0.7552626365163505
Energy: 0.8045501825912607
Energy: 0.7825590539434186
Energy: 0.8045501825898574
Energy: 0.7603192054180707
Energy: 0.8544204571242262
Energy: 0.9710746932294912
Energy: 0.8544204571242262
Energy: 0.7593142469778986
Energy: 0.774159544197637
Energy: 0.7798299119913789
Energy: 0.7741595441948307
Energy: 0.7790802043528045
Energy: 0.882460286631735
Energy: 1.3248982773829712
Energy: 0.8824602866303318

minimum gb energy = 0.7493718915460147 eV
minimum distance =  2.28510245052527 Angstroms
sigma value = 85


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

Energy: 1.0552359895193628
Energy: 0.7533114475189646
Energy: 1.4909063579668627
Energy: 0.7533114475171392
Energy: 1.3167293010433219
Energy: 0.747563838381595
Energy: 0.7114196515121796
Energy: 0.7475638383822034
Energy: 1.0152823415733507
Energy: 0.7473511888062654
Energy: 0.8723556490493969
Energy: 0.7473511888062654
Energy: 1.1814832419196173
Energy: 0.7475791722551383
Energy: 0.7115834041224375
Energy: 0.7475791722533128
Energy: 0.7459411783093942
Energy: 0.7092910928972697
Energy: 0.7326264816236453
Energy: 0.7092910928972697
Energy: 1.1364462119194376
Energy: 0.7480417073206573
Energy: 0.7116044520918481
Energy: 0.7480417073212658
Energy: 0.7076062393104521
Energy: 0.9015475503665665
Energy: 0.7302625907920899
Energy: 0.9015475503665665
Energy: 0.9955852055985895
Energy: 0.7462953281666801
Energy: 0.71150573664551
Energy: 0.746295328167897
Energy: 0.7106772402562813
Energy: 0.8626822746479599
Energy: 0.9640072941160948
Energy: 0.8626822746473514
Energy: 0.8351240793337161
Energy: 0.7697332332989808
Energy: 0.7084309615210644
Energy: 0.7697332332977638
Energy: 0.7134681199288604
Energy: 0.74771728300588
Energy: 1.0468407586321438
Energy: 0.7477172830052716
Energy: 0.6750380215588275
Energy: 0.7461930022784609
Energy: 0.7465336807677779
Energy: 0.7461930022796779
Energy: 0.7107336656157648
Energy: 0.725965088148896
Energy: 1.241996973812023
Energy: 0.7259650881470705
Energy: 0.677880903278266
Energy: 0.747738238935458
Energy: 1.01614716142365
Energy: 0.747738238934241
Energy: 0.7124057427180938
Energy: 0.7476871794960209
Energy: 1.4095419766470731
Energy: 0.7476871794954124
Energy: 0.6752336532542952
Energy: 0.7532801039985109
Energy: 1.0562703323501852
Energy: 0.753280103997294
Energy: 0.7108290779684614
Energy: 0.7258740001580195
Energy: 1.4717745410301326
Energy: 0.725874000157411
Energy: 0.7970042217333346
Energy: 0.7478365662973707
Energy: 1.0161806884578093
Energy: 0.7478365662979792
Energy: 0.7134917949247856
Energy: 0.7477731674780846
Energy: 1.2770830524287242
Energy: 0.7477731674780846
Energy: 0.8678068032320548
Energy: 0.7532210306735451
Energy: 0.7468204147270894
Energy: 0.7532210306741535
Energy: 0.7108352082652646
Energy: 0.7256776772958595
Energy: 1.205982260703167
Energy: 0.7256776772958595
Energy: 0.8652788968626
Energy: 0.7476523267362688
Energy: 0.7084126585461531
Energy: 0.7476523267368774
Energy: 0.7137185761836543
Energy: 0.745978311897137
Energy: 0.9952369088652122
Energy: 0.745978311897137
Energy: 0.8724114635737317
Energy: 0.7737000327199209
Energy: 0.7113605390042269
Energy: 0.7737000327211379
Energy: 0.710772340909578
Energy: 0.7460425486913751
Energy: 0.9174107471795308
Energy: 0.7460425486919835
Energy: 1.1778134053373792
Energy: 0.7475189625337221
Energy: 0.7126858067809313
Energy: 0.7475189625331135
Energy: 0.7488369777362489
Energy: 0.7458496561935152
Energy: 0.6754187936827326
Energy: 0.7458496561947322
Energy: 1.1876625662037026
Energy: 0.7736662121014091
Energy: 0.7116310711240138
Energy: 0.7736662121008004
Energy: 1.0184591929426927
Energy: 0.8804960824854537
Energy: 0.6820891010756995
Energy: 0.8804960824848451
Energy: 1.4095084329733851
Energy: 0.7474751421800526
Energy: 0.7125603250732352
Energy: 0.7474751421800526
Energy: 1.0580279383916456
Energy: 0.7458011938077902
Energy: 0.675361479998545
Energy: 0.7458011938071818
Energy: 1.2975701331504605
Energy: 0.7737771419560124
Energy: 0.7116565438026856
Energy: 0.7737771419560124
Energy: 1.0186095341725445
Energy: 0.8810376263420309
Energy: 0.6780438848919556
Energy: 0.8810376263414224
Energy: 1.2765942629152478
Energy: 0.8806453850990181
Energy: 0.7132068849881232
Energy: 0.8806453850984097
Energy: 0.7490484757116226
Energy: 0.7459685643561516
Energy: 0.8678424759958387
Energy: 0.7459685643519197
Energy: 1.0087041824115028
Energy: 0.7697289849949318
Energy: 0.7115697365275762
Energy: 0.7697289849943233
Energy: 0.7109350017170425
Energy: 0.8803892248605362
Energy: 0.8665396639080878
Energy: 0.8803892248605362
Energy: 0.9951195392015191
Energy: 0.7458200779008876
Energy: 0.7123747009059217
Energy: 0.7458200779021045
Energy: 0.7119786397204654
Energy: 0.7459245239445509
Energy: 0.8716759514934308
Energy: 0.7459245239415085
Energy: 0.683450552301874
Energy: 0.7953030041473381
Energy: 0.7123700437092481
Energy: 0.7953030041479466
Energy: 0.7105095580480437
Energy: 0.8803433739030522
Energy: 1.1785011169185766
Energy: 0.8803433739024438
Energy: 0.6755316136339672
Energy: 0.745730304691405
Energy: 0.7487289821724842
Energy: 0.7457303046920133
Energy: 0.7135474604733568
Energy: 0.7458106200693435
Energy: 1.1910910672127433
Energy: 0.7458106200681265

minimum gb energy = 0.6750380215588275 eV
minimum distance =  2.29063146131051 Angstroms
sigma value = 113


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

Energy: 0.020372437802896156
Energy: 0.021095957798772443
Energy: 1.4287447543894698
Energy: 0.02109595779918824
Energy: 0.9609405549984505
Energy: 0.3985364074193628
Energy: 0.3991855957433175
Energy: 0.3985364074179595
Energy: 0.020372437802896156
Energy: 0.021095957798772443
Energy: 1.4287447543880665
Energy: 0.02109595779918824
Energy: 0.9609405549984505
Energy: 0.3985364074193628
Energy: 0.39918559574243395
Energy: 0.3985364074179595
Energy: 0.020372437802896156
Energy: 0.021095957798772443
Energy: 1.428744754387183
Energy: 0.021095957798772443
Energy: 0.9609405549989184
Energy: 0.3985364074193628
Energy: 0.39918559574149837
Energy: 0.3985364074179595

minimum gb energy = 0.020372437802896156 eV
minimum distance =  2.48139739561057 Angstroms
sigma value = 1