Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Fe__MO_681088298208_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.865952417254448
cohesive_energy=4.290335420566668
mass=55.845
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: 0.0 eV

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

Energy: 0.013191240799220492
Energy: 0.013544967418553376
Energy: 2.436053885072307
Energy: 0.013544967418553376
Energy: 0.013544967418553376
Energy: 0.013555104524744054
Energy: 0.432311309160732
Energy: 0.013555104524744054
Energy: 2.436053885072307
Energy: 0.432311309160732
Energy: 0.013203206984189003
Energy: 0.432311309160732
Energy: 0.013544967418553376
Energy: 0.013555104524744054
Energy: 0.432311309160732
Energy: 0.01355510452377385

minimum gb energy = 0.013191240799220492 eV
minimum distance =  2.47921593534002 Angstroms
sigma value = 1


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

Energy: 1.4757716016950138
Energy: 1.0418968211597592
Energy: 1.2532670124788885
Energy: 1.0418968211609696
Energy: 1.551635795500152
Energy: 0.9447567600893
Energy: 0.9690558582771055
Energy: 0.9447567600905102
Energy: 1.6566584742089165
Energy: 0.9678969652400992
Energy: 0.9552799173312744
Energy: 0.9678969652388888
Energy: 1.3687002870680272
Energy: 0.9453863502018899
Energy: 1.0410431069993258
Energy: 0.9453863502006796
Energy: 1.3931908683038423
Energy: 0.9453565775154624
Energy: 1.3906763390625434
Energy: 0.9453565775142522
Energy: 1.555945930874039
Energy: 0.9448040517786905
Energy: 0.9446320020989204
Energy: 0.9448040517786905
Energy: 1.1652391935447706
Energy: 1.0099804306282594
Energy: 0.9445585322086344
Energy: 1.0099804306270495
Energy: 0.946098150925698
Energy: 0.9433820434180598
Energy: 1.3889334092597143
Energy: 0.9433820434180598
Energy: 1.1734678326292571
Energy: 0.9439552688382751
Energy: 1.3680338460845405
Energy: 0.9439552688394854
Energy: 1.5890195173281154
Energy: 0.9450387939238787
Energy: 1.1994333088564875
Energy: 0.9450387939250888
Energy: 0.9522625912748931
Energy: 1.0103258663187185
Energy: 1.369525435036717
Energy: 1.0103258663235595
Energy: 0.9523318429773029
Energy: 0.9521599208279424
Energy: 1.981406523685516
Energy: 0.9521599208279424
Energy: 1.1702662515095632
Energy: 1.0100654659773864
Energy: 1.3730084682145
Energy: 1.010065465974966
Energy: 0.9670734313946254
Energy: 0.9453293418583609
Energy: 1.4627195196431313
Energy: 0.9453293418559403
Energy: 0.9601424623158812
Energy: 0.9438685891373177
Energy: 1.5502219849978611
Energy: 0.9438685891385281
Energy: 1.0179945372898582
Energy: 0.9438964084951709
Energy: 1.5550270307825869
Energy: 0.9438964084951709
Energy: 0.9713730334834414
Energy: 0.9452633670761671
Energy: 1.4679067493992302
Energy: 0.9452633670785875
Energy: 1.1701240579401024
Energy: 1.0100313176633486
Energy: 1.3720364137124113
Energy: 1.0100313176633486
Energy: 0.9486744997589381
Energy: 0.9522418457444546
Energy: 1.9976797690345203
Energy: 0.9522418457432443
Energy: 0.95216701800671
Energy: 1.010674542883598
Energy: 1.172408305940948
Energy: 1.0106745428848083
Energy: 1.58912802020801
Energy: 0.9453076798030866
Energy: 1.1979824878520553
Energy: 0.9453076798030866
Energy: 1.173366647179107
Energy: 0.9452429136822214
Energy: 1.3680250950688961
Energy: 0.9452429136834317
Energy: 1.203485787263266
Energy: 0.9435153642287761
Energy: 1.1742135469094805
Energy: 0.9435153642299863
Energy: 1.3745683606697032
Energy: 1.009776363572443
Energy: 0.9448182277955791
Energy: 1.0097763635748636
Energy: 1.556135271404652
Energy: 0.9448581528830888
Energy: 0.9445864232898828
Energy: 0.9448581528830888
Energy: 1.366077676519019
Energy: 0.9454380762469838
Energy: 1.391664839491468
Energy: 0.9454380762469838
Energy: 1.3668718522362853
Energy: 0.9453420160245547
Energy: 0.9600801200550158
Energy: 0.9453420160209239
Energy: 1.7556905436689043
Energy: 0.9678317442932736
Energy: 0.9557431084600211
Energy: 0.9678317442932736
Energy: 1.5521204104909458
Energy: 0.9447611720981683
Energy: 0.9694513986657155
Energy: 0.9447611720969581
Energy: 1.4754649280221455
Energy: 0.9541515274901265
Energy: 0.9680322432251085
Energy: 0.954151527492547
Energy: 1.553082476006422
Energy: 0.9448980733648349
Energy: 0.9624310746261833
Energy: 0.9448980733624143
Energy: 1.555905679572018
Energy: 0.9509871168732785
Energy: 0.9558943715609381
Energy: 0.9509871168744889
Energy: 1.393234515754144
Energy: 0.9455777153743583
Energy: 1.0094265204826203
Energy: 0.9455777153731479

minimum gb energy = 0.9433820434180598 eV
minimum distance =  2.37065887646926 Angstroms
sigma value = 1


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

Energy: 1.601789222013753
Energy: 1.0022264484898478
Energy: 1.0217213717338993
Energy: 1.0022264484939876
Energy: 1.4500119768728867
Energy: 0.9818742160876199
Energy: 1.05057992147362
Energy: 0.9818742160876199
Energy: 1.4680193547138842
Energy: 1.0120052217719804
Energy: 1.0121759787366973
Energy: 1.0120052217733602
Energy: 0.9816601883803622
Energy: 1.068556423638895
Energy: 1.0507282443778834
Energy: 1.068556423638895
Energy: 0.9817257907952132
Energy: 1.067168392040355
Energy: 1.5214447147754633
Energy: 1.067168392040355
Energy: 1.4679544856487665
Energy: 0.9924882895535858
Energy: 0.9923005808135819
Energy: 0.9924882895549657
Energy: 1.012647396953604
Energy: 1.0563178457254248
Energy: 0.9923045679070895
Energy: 1.056317845724045
Energy: 0.9923184364061501
Energy: 0.9922000515146439
Energy: 1.5215037478922038
Energy: 0.992200051513264
Energy: 1.0137448599919958
Energy: 0.9825194564132144
Energy: 1.4685533706590728
Energy: 0.9825194564132144
Energy: 1.05085561095004
Energy: 0.9817570560961757
Energy: 0.9817176508895834
Energy: 0.9817570560947958
Energy: 0.9935223611917613
Energy: 0.99231752240829
Energy: 1.4691870719143933
Energy: 0.99231752240829
Energy: 0.992946931935396
Energy: 0.9925273006586935
Energy: 1.9010806946007792
Energy: 0.9925273006586935
Energy: 1.0513139949547228
Energy: 1.0568746897111818
Energy: 1.4496901980664791
Energy: 1.0568746897125618
Energy: 1.0513139949547228
Energy: 1.0566512657557272
Energy: 1.4495732733255051
Energy: 1.0566512657571072
Energy: 0.9929408078432259
Energy: 0.9925034528597436
Energy: 1.9011030920063625
Energy: 0.9925034528583635
Energy: 0.9935224473786151
Energy: 0.9923613482027083
Energy: 1.4691904344172682
Energy: 0.9923613482027083
Energy: 1.05085561095004
Energy: 0.9818144030173971
Energy: 0.9817057996384629
Energy: 0.9818144030160173
Energy: 1.0137721735798468
Energy: 0.9826889076440368
Energy: 1.4686969767959601
Energy: 0.9826889076454167
Energy: 0.9923257447545962
Energy: 0.9923364324816694
Energy: 1.5215037478922038
Energy: 0.9923364324816694
Energy: 1.0126584961489433
Energy: 1.0563278726552467
Energy: 0.9922919572609719
Energy: 1.0563278726552467
Energy: 1.4683901986584385
Energy: 0.9923476936839432
Energy: 0.9922945850692957
Energy: 0.9923476936839432
Energy: 0.9817596315932484
Energy: 1.0672097609284503
Energy: 1.5214447147768433
Energy: 1.0672097609270703
Energy: 0.9816343069750296
Energy: 1.0685153569703478
Energy: 1.0507282443778834
Energy: 1.0685153569703478
Energy: 1.467526937188688
Energy: 1.011844509123154
Energy: 1.0121331392953878
Energy: 1.011844509123154
Energy: 1.4500847881321808
Energy: 0.9817751605308088
Energy: 1.05057992147362
Energy: 0.9817751605308088
Energy: 1.601789222013753
Energy: 1.0022264484926078
Energy: 1.0217213817531225
Energy: 1.0022264484912278
Energy: 1.4500119768728867
Energy: 0.9818742160876199
Energy: 1.05057992147362
Energy: 0.9818742160876199
Energy: 1.4680193547138842
Energy: 1.0120052217733602
Energy: 1.0121759787366973
Energy: 1.0120052217733602
Energy: 0.9816601883803622
Energy: 1.068556423638895
Energy: 1.0507282443778834
Energy: 1.068556423638895

minimum gb energy = 0.9816343069750296 eV
minimum distance =  2.36585183427826 Angstroms
sigma value = 25


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

Energy: 1.4145499146601488
Energy: 1.7145781759478647
Energy: 1.5717779337963753
Energy: 1.714578175949469
Energy: 1.5749847219460855
Energy: 1.057662454690756
Energy: 1.1106034664403812
Energy: 1.057662454690756
Energy: 1.5819304269789407
Energy: 1.0794975072759048
Energy: 1.1009938942348865
Energy: 1.0794975072759048
Energy: 1.3591069117351802
Energy: 1.0545412000239556
Energy: 1.1109582842034778
Energy: 1.0545412000223513
Energy: 1.3574371430508445
Energy: 1.0542716761286963
Energy: 1.350334125226599
Energy: 1.0542716761286963
Energy: 1.5819915915537068
Energy: 1.0577129694050187
Energy: 1.0575537520859992
Energy: 1.0577129694050187
Energy: 1.0747849446196291
Energy: 1.054533456272375
Energy: 1.0575401580983308
Energy: 1.0545334562707709
Energy: 1.0632657331515272
Energy: 1.074571275739892
Energy: 1.6153557879716682
Energy: 1.074571275739892
Energy: 1.1054055445571485
Energy: 1.1428235933022493
Energy: 1.3555191524941608
Energy: 1.1428235933038533
Energy: 1.1073337929568683
Energy: 1.0562965186501083
Energy: 1.4097972850128788
Energy: 1.056296518648504
Energy: 1.121115452466173
Energy: 1.142641029280333
Energy: 1.574925264161545
Energy: 1.1426410292819373
Energy: 1.1043548898865767
Energy: 1.074992490853216
Energy: 1.5683874258389479
Energy: 1.074992490853216
Energy: 1.1527174128822657
Energy: 1.0563382062420024
Energy: 1.409008949272453
Energy: 1.0563382062436066
Energy: 1.1249356696236201
Energy: 1.1434420362504385
Energy: 1.3558594680063425
Energy: 1.1434420362472302
Energy: 1.0897247212671954
Energy: 1.0746609298421517
Energy: 1.8654406940522112
Energy: 1.0746609298421517
Energy: 1.0745645361911285
Energy: 1.0544649859682957
Energy: 1.0577890669606622
Energy: 1.0544649859682957
Energy: 1.8881938549092665
Energy: 1.0576509590211247
Energy: 1.0576341814493704
Energy: 1.0576509590211247
Energy: 1.3596930441584223
Energy: 1.0542298413252489
Energy: 1.3502717009228047
Energy: 1.0542298413236446
Energy: 1.2357930710099134
Energy: 1.054503980092863
Energy: 1.111024200884159
Energy: 1.054503980092863
Energy: 1.3381079788668508
Energy: 1.0577568438115024
Energy: 1.0801626708091643
Energy: 1.0577568438115024
Energy: 1.5761501731842842
Energy: 1.0576033716704836
Energy: 1.1223465737807445
Energy: 1.0576033716704836
Energy: 1.4156482527364287
Energy: 1.0564132270007742
Energy: 1.1107926423577459
Energy: 1.0564132270023785
Energy: 1.5771072863967552
Energy: 1.1432930147671185
Energy: 1.1106514061370618
Energy: 1.1432930147687224
Energy: 1.5822869483024513
Energy: 1.0798418043293632
Energy: 1.0994970640551671
Energy: 1.0798418043293632
Energy: 1.3575024246800347
Energy: 1.0544404892508004
Energy: 1.0718119532716064
Energy: 1.0544404892508004

minimum gb energy = 1.0542298413236446 eV
minimum distance =  2.37635055995206 Angstroms
sigma value = 9


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

Energy: 1.0929609345838225
Energy: 1.0922754431681803
Energy: 1.1878438602294712
Energy: 1.0922754431689414
Energy: 1.0927877124597059
Energy: 1.1154919587444607
Energy: 1.115576440456348
Energy: 1.1154919587446563
Energy: 1.1640161212163453
Energy: 1.1638865961849632
Energy: 1.2157637114445254
Energy: 1.1638865961853326
Energy: 1.115115679485064
Energy: 1.11537261842762
Energy: 1.1151209996900326
Energy: 1.1153726184278159
Energy: 1.115324461104663
Energy: 1.1154677817256136
Energy: 1.1640756498323355
Energy: 1.1154677817258094
Energy: 1.8697337751365541
Energy: 1.1153898566901843
Energy: 1.1151124168289464
Energy: 1.1153898566907494
Energy: 1.1152009729175607
Energy: 1.1154364484889852
Energy: 1.1153688023448531
Energy: 1.1154364484893766
Energy: 1.1153375488696242
Energy: 1.1153603668407686
Energy: 1.70518501181393
Energy: 1.1153603668407686
Energy: 1.2660021891047892
Energy: 1.115255723505045
Energy: 1.0924029030919118
Energy: 1.115255723504458
Energy: 1.2663382707160296
Energy: 1.0918080379120256
Energy: 1.0923123628647837
Energy: 1.0918080379118298
Energy: 1.1163416181069272
Energy: 1.2189128655921246
Energy: 1.7052902828936172
Energy: 1.2189128655919288
Energy: 1.1153331636600483
Energy: 1.0925846727338155
Energy: 1.2155744651215314
Energy: 1.0925846727340114
Energy: 1.2665330999240594
Energy: 1.115331380093706
Energy: 1.1154953808101276
Energy: 1.11533138009351
Energy: 1.2153877186507425
Energy: 1.1901769348719082
Energy: 1.2155104348753238
Energy: 1.1901769348717124
Energy: 1.1154979730195003
Energy: 1.1153163410450118
Energy: 1.266533099924255
Energy: 1.115316341044838
Energy: 1.2155218635076235
Energy: 1.0920497499995774
Energy: 1.1153591132379912
Energy: 1.09204974999899
Energy: 1.7052902271308468
Energy: 1.218943119430424
Energy: 1.1163488358626368
Energy: 1.218943119430424
Energy: 1.092372242492897
Energy: 1.0918325662626094
Energy: 1.2663382707162254
Energy: 1.0918325662624138
Energy: 1.0924363169621052
Energy: 1.1152795473815489
Energy: 1.2660021891045936
Energy: 1.1152795473819404
Energy: 1.705211266539067
Energy: 1.1153569897188094
Energy: 1.1153140532376415
Energy: 1.1153569897186353
Energy: 1.1153283665197948
Energy: 1.1154396454094697
Energy: 1.1151247649664957
Energy: 1.1154396454098612

minimum gb energy = 1.0918080379118298 eV
minimum distance =  2.35344338054404 Angstroms
sigma value = 25


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

Energy: 1.2166899092277423
Energy: 1.4780622992076196
Energy: 1.2770956871339958
Energy: 1.478062299206221
Energy: 1.6288047763500537
Energy: 1.2930169291802187
Energy: 1.244578094622151
Energy: 1.2930169291804605
Energy: 1.3497275260684152
Energy: 1.2444453399608018
Energy: 1.244555488081313
Energy: 1.2444453399603446
Energy: 1.2194595703108788
Energy: 1.2443670785089382
Energy: 1.2444445741046823
Energy: 1.2443670785098797
Energy: 1.244433705589474
Energy: 1.292928682912629
Energy: 1.6479046843121425
Energy: 1.2929286829116877
Energy: 1.6517987874439053
Energy: 1.2080944264024376
Energy: 1.2107226685920986
Energy: 1.2080944264026794
Energy: 1.289928789767147
Energy: 1.2449972328043488
Energy: 1.2078375022486185
Energy: 1.2449972328029235
Energy: 1.244826074370308
Energy: 1.3106720905241414
Energy: 1.6522928507499013
Energy: 1.3106720905253246
Energy: 1.3105236388709047
Energy: 1.208474764421953
Energy: 1.2077483489588698
Energy: 1.208474764422195
Energy: 1.2992325583102737
Energy: 1.2088096864247206
Energy: 1.2078470197833229
Energy: 1.2088096864249627
Energy: 1.2245422872139131
Energy: 1.244684660589879
Energy: 1.5839510189461183
Energy: 1.244684660590363
Energy: 1.2441259579089394
Energy: 1.2083231680292934
Energy: 1.244539257179974
Energy: 1.2083231680292934
Energy: 1.5335789855739497
Energy: 1.2445848619798445
Energy: 1.2451194627899378
Energy: 1.2445848619800597
Energy: 1.6305626933016288
Energy: 1.2081055269343686
Energy: 1.3227167615742381
Energy: 1.208105526933185
Energy: 1.6307215454777486
Energy: 1.208293208124039
Energy: 1.3228724329593995
Energy: 1.2082932081245228
Energy: 1.6290307844665532
Energy: 1.2220978961647677
Energy: 1.2445658307978356
Energy: 1.222097896165467
Energy: 1.244653161952132
Energy: 1.2085341773658709
Energy: 1.2463244073948658
Energy: 1.2085341773644456

minimum gb energy = 1.2077483489588698 eV
minimum distance =  2.34247883720475 Angstroms
sigma value = 17


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

Energy: 1.5718949127199073
Energy: 1.5316021636004882
Energy: 1.3029997462877079
Energy: 1.5316021636004882
Energy: 1.4883550802166907
Energy: 1.3065907835430628
Energy: 1.362755378178845
Energy: 1.3065907835404127
Energy: 1.2922840368669952
Energy: 1.2723917026145763
Energy: 1.26922516976693
Energy: 1.272391702613236
Energy: 1.2436740370764288
Energy: 1.2511770773432447
Energy: 1.3091848751644273
Energy: 1.2511770773472655
Energy: 1.2736290031136437
Energy: 1.3165857243798762
Energy: 1.5421100941887418
Energy: 1.3165857243812165
Energy: 1.4859698909902737
Energy: 1.2454821078602074
Energy: 1.2558182325689702
Energy: 1.245482107862888
Energy: 1.3994767533809729
Energy: 1.2429021563104263
Energy: 1.5227703387023606
Energy: 1.2429021563104263
Energy: 1.2945016542073273
Energy: 1.2506424940881644
Energy: 1.5868577905924206
Energy: 1.2506424940881644
Energy: 1.2885755399890366
Energy: 1.2684070492065564
Energy: 1.2421099876340633
Energy: 1.2684070492078967
Energy: 1.5398730441791708
Energy: 1.3213978745285335
Energy: 1.2669297969741367
Energy: 1.3213978745271933
Energy: 1.2580543952040637
Energy: 1.255256700222326
Energy: 1.47887111738296
Energy: 1.2552567002209856
Energy: 1.2548692606199148
Energy: 1.2674691524878046
Energy: 1.3462107535853796
Energy: 1.2674691524878046
Energy: 1.5414096264896824
Energy: 1.3099016262350556
Energy: 1.3336596980203728
Energy: 1.3099016262363958
Energy: 1.2540683800396206
Energy: 1.2565756652831004
Energy: 1.3196848618168346
Energy: 1.2565756652790796
Energy: 1.2540631932705337
Energy: 1.3367800563038132
Energy: 1.5531222539235379
Energy: 1.3367800563051535
Energy: 1.5270690156046447
Energy: 1.2695578355952475
Energy: 1.241683495277165
Energy: 1.2695578355952475
Energy: 1.2935889429384912
Energy: 1.3357183440782245
Energy: 1.2666873895952195
Energy: 1.3357183440782245
Energy: 1.2751503409393032
Energy: 1.3157813237538125
Energy: 1.4987062526307962
Energy: 1.3157813237524723
Energy: 1.3181421424926294
Energy: 1.2460266239238735
Energy: 1.3882340013826147
Energy: 1.2460266239238735
Energy: 1.5616056923470425
Energy: 1.321819877478978
Energy: 1.5144444548462626
Energy: 1.3218198774776682
Energy: 1.250434830785952
Energy: 1.2947551360507252
Energy: 1.499138526439122
Energy: 1.2947551360520657
Energy: 1.2505167582232204
Energy: 1.3376598050162187
Energy: 1.2724217540868594
Energy: 1.337659805017559
Energy: 1.5187330335535412
Energy: 1.2727814000880613
Energy: 1.272348137009035
Energy: 1.2727814000880613
Energy: 1.513799165218462
Energy: 1.236069848823831
Energy: 1.3282153441397142
Energy: 1.2360698488251713
Energy: 1.5132718730786758
Energy: 1.2460147249290012
Energy: 1.3283490043260524
Energy: 1.2460147249263207
Energy: 1.5192262000288927
Energy: 1.2819852846929107
Energy: 1.2905779273061193
Energy: 1.2819852846929107
Energy: 1.2505774315342484
Energy: 1.2678048612930934
Energy: 1.2729984066948452
Energy: 1.2678048612930934
Energy: 1.2509606293350373
Energy: 1.2508858321212704
Energy: 1.5478354686887061
Energy: 1.2508858321212704
Energy: 1.2919905431625156
Energy: 1.322016843492681
Energy: 1.517151505604495
Energy: 1.3220168434913404
Energy: 1.318758830889989
Energy: 1.245530173753182
Energy: 1.2537272702451716
Energy: 1.2455301737518418

minimum gb energy = 1.236069848823831 eV
minimum distance =  2.3560089750295 Angstroms
sigma value = 53


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

Energy: 1.20795961803665
Energy: 1.217909561062335
Energy: 1.3613025851300142
Energy: 1.2179095610613881
Energy: 1.2075701394441805
Energy: 1.218663855983182
Energy: 1.2075047781394943
Energy: 1.2186638559828662
Energy: 1.7075633099454677
Energy: 1.2439547359844771
Energy: 1.4112861986249756
Energy: 1.2439547359841614
Energy: 1.4112863245154863
Energy: 1.2441234226236133
Energy: 1.7074063375384219
Energy: 1.2441234226236133
Energy: 1.2075125012808838
Energy: 1.218534412568853
Energy: 1.2067951384854596
Energy: 1.2185344125691686
Energy: 1.3613025916392467
Energy: 1.2179095610620194
Energy: 1.2079596180369658
Energy: 1.2179095610626156
Energy: 1.207504778139775
Energy: 1.2186638559834975
Energy: 1.2075701394438647
Energy: 1.2186638559834975
Energy: 1.4112861986249756
Energy: 1.2439547359844771
Energy: 1.7075633099454677
Energy: 1.2439547359847924
Energy: 1.7074063375384219
Energy: 1.2441234226239288
Energy: 1.4112863245158018
Energy: 1.2441234226227016
Energy: 1.2067951384857751
Energy: 1.2185344125697648
Energy: 1.2075125012815149
Energy: 1.218534412568853
Energy: 1.207959618036335
Energy: 1.2179095610617037
Energy: 1.361302600985
Energy: 1.217909561062335
Energy: 1.2075701394432334
Energy: 1.218663855983182
Energy: 1.207504778139775
Energy: 1.218663855983182
Energy: 1.7075633099454677
Energy: 1.2439547359841614
Energy: 1.4112861986246954
Energy: 1.2439547359847924

minimum gb energy = 1.2067951384854596 eV
minimum distance =  2.33666312571973 Angstroms
sigma value = 9


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

Energy: 1.448560056556847
Energy: 1.4393045062048817
Energy: 1.9034480368952953
Energy: 1.4393045062037397
Energy: 1.6661654312574803
Energy: 1.3737608867026296
Energy: 1.407716496163145
Energy: 1.3737608867049138
Energy: 1.356820219326145
Energy: 1.3128088052461475
Energy: 1.3125729185492165
Energy: 1.3128088052415794
Energy: 1.3445699515836094
Energy: 1.3872856959177082
Energy: 1.3956205771279462
Energy: 1.3872856959187985
Energy: 1.41034595530481
Energy: 1.3566039494337385
Energy: 1.6585450047179233
Energy: 1.3566039494303124
Energy: 1.5997221052004704
Energy: 1.3754028457195338
Energy: 1.4204782992866345
Energy: 1.3754028457161076
Energy: 1.3729708660356539
Energy: 1.375149662568862
Energy: 1.6958874475307542
Energy: 1.37514966256772
Energy: 1.3032328661214427
Energy: 1.3225986799776162
Energy: 1.3735627791238239
Energy: 1.3225986799776162
Energy: 1.3736346582048775
Energy: 1.3674593583937777
Energy: 1.3636250917709454
Energy: 1.3674593583937777
Energy: 1.4245370133825754
Energy: 1.3126071870317864
Energy: 1.4338085311712507
Energy: 1.3126071870306444
Energy: 1.309125189709414
Energy: 1.3802043563837596
Energy: 1.6010488733996182
Energy: 1.3802043563849016
Energy: 1.72824118119613
Energy: 1.3567926765455232
Energy: 1.3599394824170348
Energy: 1.3567926765443812
Energy: 1.3960165586544717
Energy: 1.31061279619144
Energy: 1.3122447358916205
Energy: 1.310612796193724
Energy: 1.4123373469752216
Energy: 1.4324503102034147
Energy: 1.439522138403921
Energy: 1.4324503102068409
Energy: 1.4134695513370106
Energy: 1.3237660633326427
Energy: 1.360506756647581
Energy: 1.3237660633349269
Energy: 1.6339331140676308
Energy: 1.3117642001071481
Energy: 1.3151847313698282
Energy: 1.3117642001094323
Energy: 1.4241759619272425
Energy: 1.3852920523897483
Energy: 1.7319348197184388
Energy: 1.3852920523920325
Energy: 1.3119664341677568
Energy: 1.3830567622389176
Energy: 1.4261467813835225
Energy: 1.3830567622366334
Energy: 1.6828228132788556
Energy: 1.417131934125388
Energy: 1.373428495280849
Energy: 1.417131934124246
Energy: 1.3224131518337516
Energy: 1.312327103768185
Energy: 1.3592703664836991
Energy: 1.312327103770469
Energy: 1.3025992104067008
Energy: 1.3255226178705302
Energy: 1.6448312407849748
Energy: 1.3255226178671042
Energy: 1.4647888250564436
Energy: 1.3032059784072474
Energy: 1.4185439592999671
Energy: 1.3032059784106735
Energy: 1.480675774881781
Energy: 1.3740440448962998
Energy: 1.4196490028319695
Energy: 1.374044044898584
Energy: 1.3569136792604144
Energy: 1.3995352712243383
Energy: 1.641769506444372
Energy: 1.3995352712220543
Energy: 1.3438098833024181
Energy: 1.325268425608081
Energy: 1.3393387963618444
Energy: 1.325268425605797
Energy: 1.541597594153816
Energy: 1.3476190575251454
Energy: 1.3418563718763052
Energy: 1.3476190575251454
Energy: 1.537803514730761
Energy: 1.3038552941637356
Energy: 1.4982785980379194
Energy: 1.3038552941625936
Energy: 1.4260113411831459
Energy: 1.3908889160890612
Energy: 1.4942528816929885
Energy: 1.3908889160913454
Energy: 1.5945076448395266
Energy: 1.3450486303722478
Energy: 1.3389103265629645
Energy: 1.3450486303711056
Energy: 1.352055039244821
Energy: 1.3234180895161831
Energy: 1.31243900788141
Energy: 1.323418089517325
Energy: 1.3573614455255822
Energy: 1.3914661227399174
Energy: 1.6057403943981956
Energy: 1.3914661227410594
Energy: 1.482133239861221
Energy: 1.3037560624816693
Energy: 1.4223009292283775
Energy: 1.3037560624828113
Energy: 1.7247587276091607
Energy: 1.3048412175081583
Energy: 1.4185783728052654
Energy: 1.3048412175070163
Energy: 1.3333791569194529
Energy: 1.3260999749503473
Energy: 1.6236861275244872
Energy: 1.3260999749549154
Energy: 1.3223526703002133
Energy: 1.3101954337100783
Energy: 1.3590827262581986
Energy: 1.3101954337112203

minimum gb energy = 1.3025992104067008 eV
minimum distance =  2.32909843388948 Angstroms
sigma value = 73


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

Energy: 1.5259381585680756
Energy: 1.4005493133603872
Energy: 1.548605607336438
Energy: 1.4005493133607576
Energy: 1.4759976363953582
Energy: 1.3975193137136794
Energy: 1.4357409296377195
Energy: 1.3975193137134942
Energy: 1.3926110362606885
Energy: 1.3637335241461788
Energy: 1.3218808062128176
Energy: 1.3637335241459934
Energy: 1.3568840044287553
Energy: 1.31718463911815
Energy: 1.4345287150382389
Energy: 1.3171846391183355
Energy: 1.5093604978124284
Energy: 1.3171349242737949
Energy: 1.4947669615576764
Energy: 1.3171349242743509
Energy: 1.7660255632064472
Energy: 1.4111347012891766
Energy: 1.3100411107091152
Energy: 1.411134701288806
Energy: 1.3893582347540074
Energy: 1.3224325631426
Energy: 1.4962918579256457
Energy: 1.3224325631420646
Energy: 1.31939447921603
Energy: 1.3178543611963158
Energy: 1.425293256830954
Energy: 1.3178543611948743
Energy: 1.5856179426868782
Energy: 1.363270753454112
Energy: 1.453401074583047
Energy: 1.3632707534539268
Energy: 1.3177736519089387
Energy: 1.3629674248199037
Energy: 1.4534744559655246
Energy: 1.3629674248199037
Energy: 1.3172326483413725
Energy: 1.3183236112147252
Energy: 1.7336270932152686
Energy: 1.3183236112147252
Energy: 1.6338855625511095
Energy: 1.317654565077412
Energy: 1.5201878486061706
Energy: 1.3176545650770413
Energy: 1.5097216775772726
Energy: 1.4083362170499383
Energy: 1.3072748918880364
Energy: 1.4083362170490326
Energy: 1.3929900787268332
Energy: 1.4621472690853723
Energy: 1.8307384922823586
Energy: 1.4621472690853723
Energy: 1.3566873402070159
Energy: 1.3179157119069314
Energy: 1.3356598471603276
Energy: 1.3179157119080225
Energy: 1.439066436575546
Energy: 1.3635258512970467
Energy: 1.3227535074239642
Energy: 1.3635258512974178
Energy: 1.4759282894610477
Energy: 1.3888222304165485
Energy: 1.714184980882546
Energy: 1.3888222304165485
Energy: 1.4767693458912412
Energy: 1.3887978362416724
Energy: 1.636055715682813
Energy: 1.3887978362416724
Energy: 1.6357358289477697
Energy: 1.3633233720557942
Energy: 1.335676728851767
Energy: 1.3633233720563296
Energy: 1.3565724161008423
Energy: 1.4038515150679605
Energy: 1.3219080055982917
Energy: 1.4038515150683313
Energy: 1.3928445785024608
Energy: 1.4499294547716026
Energy: 1.7781975814693458
Energy: 1.449929454772879
Energy: 1.5104143521544269
Energy: 1.3989054470192401
Energy: 1.3072491247558045
Energy: 1.3989054470192401

minimum gb energy = 1.3072491247558045 eV
minimum distance =  2.28108251406508 Angstroms
sigma value = 7


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

Energy: 1.807810053275868
Energy: 1.5456248635381735
Energy: 1.7600291217314366
Energy: 1.5456248635381735
Energy: 1.6739919963443128
Energy: 1.4159414898718232
Energy: 1.442487386885129
Energy: 1.4159414898718232
Energy: 1.3697565135108956
Energy: 1.3981751678744205
Energy: 1.4165441139045873
Energy: 1.3981751678731396
Energy: 1.3755940713285157
Energy: 1.3087304587039896
Energy: 1.4015308435449567
Energy: 1.308730458705271
Energy: 1.457292031279341
Energy: 1.347224447030318
Energy: 1.373873372630456
Energy: 1.3472244470315995
Energy: 1.7437617539176262
Energy: 1.3739119564049198
Energy: 1.3744718748101779
Energy: 1.3739119564049198
Energy: 1.45245762586622
Energy: 1.4497156668403772
Energy: 1.7065103009830165
Energy: 1.4497156668390958
Energy: 1.3745641671318498
Energy: 1.3738667887139187
Energy: 1.4770443601577605
Energy: 1.3738667887113563
Energy: 1.6974164532973262
Energy: 1.3822392713492517
Energy: 1.3833229408121042
Energy: 1.3822392713492517
Energy: 1.4024714531148204
Energy: 1.3075675465872478
Energy: 1.3750010360326685
Energy: 1.3075675465872478
Energy: 1.4057196413590756
Energy: 1.3991421771516759
Energy: 1.5478517423922404
Energy: 1.399142177154238
Energy: 1.7266650877106837
Energy: 1.3898939162678476
Energy: 1.5396630093899333
Energy: 1.3898939162704103
Energy: 1.6337567409472153
Energy: 1.3881573297591
Energy: 1.5405656562068166
Energy: 1.3881573297591
Energy: 1.4022958547571414
Energy: 1.4527477201288408
Energy: 1.6201135192425355
Energy: 1.45274772012756
Energy: 1.40550387676629
Energy: 1.308895212893054
Energy: 1.373164425632841
Energy: 1.3088952128917728
Energy: 1.707794324861011
Energy: 1.5069656918737884
Energy: 1.396728634664657
Energy: 1.5069656918725076
Energy: 1.3769417731589815
Energy: 1.3981860711299332
Energy: 1.476800500473363
Energy: 1.3981860711299332
Energy: 1.3751054820679591
Energy: 1.3470850201183882
Energy: 1.7434089659756058
Energy: 1.3470850201196403
Energy: 1.7197921583113636
Energy: 1.3737529164335989
Energy: 1.3769895685642897
Energy: 1.373752916436161
Energy: 1.4584957479030174
Energy: 1.34734012300044
Energy: 1.3745787935101497
Energy: 1.3473401230042836
Energy: 1.3734821104523738
Energy: 1.4209273858763567
Energy: 1.4411667509190451
Energy: 1.4209273858763567
Energy: 1.372854346689816
Energy: 1.3986869686534202
Energy: 1.4026506676937143
Energy: 1.3986869686495769
Energy: 1.6876412563596297
Energy: 1.3680972369022242
Energy: 1.426468787936336
Energy: 1.3680972369022242
Energy: 1.6604629509446716
Energy: 1.4099212840890365
Energy: 1.7216306686019112
Energy: 1.409921284091599
Energy: 1.6608431082972581
Energy: 1.3571214145703132
Energy: 1.4449982624130318
Energy: 1.3571214145703132
Energy: 1.4085143256139385
Energy: 1.398350494136934
Energy: 1.4035808790097686
Energy: 1.3983504941356528
Energy: 1.3737333017038815
Energy: 1.308173970342109
Energy: 1.4015822833034506
Energy: 1.3081739703408277
Energy: 1.456908187373675
Energy: 1.3480532903767812
Energy: 1.6973904797085027
Energy: 1.3480532903780624
Energy: 1.4642242872004723
Energy: 1.3733483915487468
Energy: 1.3890585103703117
Energy: 1.3733483915487468
Energy: 1.729673776617967
Energy: 1.4504376742589293
Energy: 1.7293107808889008
Energy: 1.4504376742576484
Energy: 1.389013874546037
Energy: 1.3734978115191312
Energy: 1.4766489534126925
Energy: 1.37349781151785

minimum gb energy = 1.3075675465872478 eV
minimum distance =  2.27563717408868 Angstroms
sigma value = 29


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

Energy: 1.2224769703674998
Energy: 1.404512954893634
Energy: 1.6140512171327943
Energy: 1.4045129548927662
Energy: 1.6357916373426986
Energy: 1.3018158623874039
Energy: 1.2877669914171428
Energy: 1.3018158623874039
Energy: 1.5568986349869371
Energy: 1.2613811585221122
Energy: 1.2622534904907927
Energy: 1.2613811585225585
Energy: 1.7225995143543058
Energy: 1.2619242827756447
Energy: 1.287723785211996
Energy: 1.2619242827756447
Energy: 1.7326484005403104
Energy: 1.349847646966375
Energy: 1.2620181817541405
Energy: 1.3498476469659537
Energy: 1.4908786185180658
Energy: 1.2625786493197213
Energy: 1.2618674701394583
Energy: 1.2625786493192999
Energy: 1.4081183840272447
Energy: 1.2612866123982924
Energy: 1.6152790146844824
Energy: 1.2612866123982924
Energy: 1.2222084771828314
Energy: 1.26346087831766
Energy: 1.9908607520358352
Energy: 1.2634608783172137
Energy: 1.7074698777649266
Energy: 1.287674833553226
Energy: 1.2617173438269527
Energy: 1.2876748335933417

minimum gb energy = 1.2222084771828314 eV
minimum distance =  2.38436681875241 Angstroms
sigma value = 5


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

Energy: 1.4772175718144451
Energy: 1.338825445907092
Energy: 1.7512745504490899
Energy: 1.338825445907092
Energy: 1.6632536004314853
Energy: 1.3032356633488962
Energy: 1.4239888265666858
Energy: 1.3032356633513162
Energy: 1.339307819195469
Energy: 1.3766129290187998
Energy: 1.3645419986394447
Energy: 1.3766129290187998
Energy: 1.3392319112434143
Energy: 1.3573196093624933
Energy: 1.4608955249096776
Energy: 1.3573196093624933
Energy: 1.284373472654744
Energy: 1.3567179903359325
Energy: 1.327302986977683
Energy: 1.3567179903347222
Energy: 1.4168657243134886
Energy: 1.3777356825093157
Energy: 1.3270320324565394
Energy: 1.3777356825093157
Energy: 1.442129919293768
Energy: 1.3470077377328686
Energy: 1.4705576976362247
Energy: 1.3470077377304481
Energy: 1.4445676472168223
Energy: 1.347403080387103
Energy: 1.572681606371858
Energy: 1.347403080387103
Energy: 1.7975140345378102
Energy: 1.3220212059770846
Energy: 1.442659756460188
Energy: 1.3220212059807155
Energy: 1.589830235803441
Energy: 1.3223683815659042
Energy: 1.4450705289807173
Energy: 1.3223683815646938
Energy: 1.3613686932955544
Energy: 1.3728840057011027
Energy: 1.3774558520058944
Energy: 1.372884005699892
Energy: 1.3612546117176927
Energy: 1.3707907737799094
Energy: 1.3074695366584035
Energy: 1.3707907737774887
Energy: 1.477489391754014
Energy: 1.39064503527789
Energy: 1.3067526487890462
Energy: 1.3906450352803108
Energy: 1.3156080826093992
Energy: 1.357118026793561
Energy: 1.3065557840092032
Energy: 1.3571180267947716
Energy: 1.3353062463664296
Energy: 1.3307319578058698
Energy: 1.5923691616609965
Energy: 1.3307319578070804
Energy: 1.645461601405086
Energy: 1.3257255408924238
Energy: 1.4421187626607943
Energy: 1.3257255408924238
Energy: 1.6162697433953093
Energy: 1.3259867763831887
Energy: 1.586789155944896
Energy: 1.325986776380768
Energy: 1.3536650849543372
Energy: 1.3668120100452574
Energy: 1.5776421253099933
Energy: 1.3668120100440473
Energy: 1.4468991233356605
Energy: 1.3345214758320973
Energy: 1.3669533904214803
Energy: 1.3345214758345176
Energy: 1.3447669789813357
Energy: 1.3770586339055613
Energy: 1.3255829622907997
Energy: 1.3770586339055613
Energy: 1.3468709606066118
Energy: 1.356046791645327
Energy: 1.3834502731951992
Energy: 1.3560467916465373
Energy: 1.4548292980863877
Energy: 1.357101525784328
Energy: 1.353157617703332
Energy: 1.3571015257831178
Energy: 1.339065891620885
Energy: 1.3562346815530117
Energy: 1.3528578704093004
Energy: 1.3562346815530117
Energy: 1.5727369335515553
Energy: 1.324096069471167
Energy: 1.7788609568163902
Energy: 1.3240960694735877
Energy: 1.5704421570871592
Energy: 1.324896316396961
Energy: 1.76489590996411
Energy: 1.3248963163945404
Energy: 1.4575550645107263
Energy: 1.3542787520747785
Energy: 1.3530651645749485
Energy: 1.3542787520735682
Energy: 1.3901159267046708
Energy: 1.357139604579805
Energy: 1.3528197830296524
Energy: 1.3571396045822255
Energy: 1.3829937176129088
Energy: 1.3583224810591132
Energy: 1.5251453614136345
Energy: 1.3583224810615337
Energy: 1.3473009845507333
Energy: 1.3561075305349473
Energy: 1.323581001194966
Energy: 1.3561075305361572
Energy: 1.574447709950346
Energy: 1.4523878154601848
Energy: 1.3591040399439462
Energy: 1.4523878154601848
Energy: 1.3969100995357826
Energy: 1.349781174079287
Energy: 1.468678819612388
Energy: 1.349781174079287
Energy: 1.4440381740780222
Energy: 1.3056827198252496
Energy: 1.7068717600137884
Energy: 1.3056827198264602
Energy: 1.7666711815707092
Energy: 1.324453910465993
Energy: 1.4418294113060863
Energy: 1.3244539104672033

minimum gb energy = 1.284373472654744 eV
minimum distance =  2.27067625054096 Angstroms
sigma value = 1


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

Energy: 1.470912705996289
Energy: 1.3275410822294795
Energy: 1.8153215374804068
Energy: 1.3275410822294795
Energy: 1.474748519179171
Energy: 1.3270512952685611
Energy: 1.4095812745953695
Energy: 1.3270512952668878
Energy: 1.388942187661566
Energy: 1.3542152106781886
Energy: 1.546973062318333
Energy: 1.3542152106781886
Energy: 1.3990632151552642
Energy: 1.3303137276602464
Energy: 1.4804853220976195
Energy: 1.330313727658573
Energy: 1.2933747141819976
Energy: 1.284532804077384
Energy: 1.2921109304324234
Energy: 1.284532804077384
Energy: 1.292180041107719
Energy: 1.3053828779196348
Energy: 1.2924264165445185
Energy: 1.3053828779196348
Energy: 1.454767966078639
Energy: 1.3293863192405233
Energy: 1.4497698955101932
Energy: 1.3293863192405233
Energy: 1.4534504849346652
Energy: 1.329337600187702
Energy: 1.5213031858115318
Energy: 1.3293376001860286
Energy: 1.4111857805977097
Energy: 1.2842402882199888
Energy: 1.32426568919431
Energy: 1.2842402882199888
Energy: 1.4111857806010564
Energy: 1.2849225872098653
Energy: 1.3242612199391335
Energy: 1.2849225872098653
Energy: 1.4549819232190526
Energy: 1.3292940993856313
Energy: 1.5213031858098585
Energy: 1.3292940993839957
Energy: 1.4554661513300238
Energy: 1.329933986371979
Energy: 1.4497698955085194
Energy: 1.329933986371979
Energy: 1.2921499430499856
Energy: 1.3019306903878163
Energy: 1.2924715632999964
Energy: 1.3019306903878163
Energy: 1.2933322355653638
Energy: 1.285056998996601
Energy: 1.2923243851386104
Energy: 1.2850569989982743
Energy: 1.3200604473653192
Energy: 1.3331051961472589
Energy: 1.4802195627955614
Energy: 1.3331051961472589
Energy: 1.388942187658219
Energy: 1.354220685753634
Energy: 1.4913251929092304
Energy: 1.354220685753634
Energy: 1.3969256930516138
Energy: 1.2818259703988855
Energy: 1.371340061807518
Energy: 1.2818259703988855
Energy: 1.4709127059946154
Energy: 1.3275410822294795
Energy: 1.8153215376292622
Energy: 1.3275410822278064
Energy: 1.474748519180844
Energy: 1.3270512952685611
Energy: 1.4095812745953695
Energy: 1.3270512952668878
Energy: 1.3889421876632395
Energy: 1.3542152106781886
Energy: 1.5469730623200064
Energy: 1.3542152106765153
Energy: 1.3990632151552642
Energy: 1.3303137276602464
Energy: 1.4804853220976195
Energy: 1.330313727658573
Energy: 1.293374714183671
Energy: 1.284532804077384
Energy: 1.2921109304324234
Energy: 1.284532804077384
Energy: 1.2921800411060453
Energy: 1.3053828779196348
Energy: 1.2924264165445185
Energy: 1.3053828779196348
Energy: 1.454767966078639
Energy: 1.3293863192405233
Energy: 1.4497698955101932
Energy: 1.3293863192405233

minimum gb energy = 1.2818259703988855 eV
minimum distance =  2.26797420031056 Angstroms
sigma value = 17


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

Energy: 1.5260621510419963
Energy: 1.3123787410561734
Energy: 1.845563569059018
Energy: 1.3123787410592762
Energy: 1.3105363475359957
Energy: 1.2697580406233466
Energy: 1.4056426267324562
Energy: 1.2697580406233466
Energy: 1.2986260582243419
Energy: 1.3061698562209536
Energy: 1.344279269757757
Energy: 1.306169856218885
Energy: 1.3523708985223377
Energy: 1.30330816306962
Energy: 1.512077278555277
Energy: 1.3033081630644483
Energy: 1.3313263415344214
Energy: 1.3018300816541413
Energy: 1.327375498349347
Energy: 1.30183008165621
Energy: 1.3552671359370356
Energy: 1.323409859196296
Energy: 1.3287714615355635
Energy: 1.323409859196296
Energy: 1.330622997394241
Energy: 1.3100380801146592
Energy: 1.2772703872768028
Energy: 1.3100380801167277
Energy: 1.3301762851173549
Energy: 1.3106772196626135
Energy: 1.3183639005288903
Energy: 1.310677219660545
Energy: 1.5670237370233686
Energy: 1.2950179773830945
Energy: 1.4985229856310651
Energy: 1.2950179773841288
Energy: 1.6198634373817637
Energy: 1.2952502262828554
Energy: 1.4960306612957417
Energy: 1.2952502262838896
Energy: 1.3893116843197166
Energy: 1.295170121582822
Energy: 1.5170808571670178
Energy: 1.2951701215838565
Energy: 1.386865296026417
Energy: 1.295056189085366
Energy: 1.3283262845000077
Energy: 1.2950561890770917
Energy: 1.3496112413996955
Energy: 1.312765668395871
Energy: 1.3395532643668662
Energy: 1.312765668395871
Energy: 1.2967060988182413
Energy: 1.3018442296379409
Energy: 1.3390820389461036
Energy: 1.3018442296410437
Energy: 1.3023536245997085
Energy: 1.3289549586113756
Energy: 1.3473646879498835
Energy: 1.3289549586124096
Energy: 1.302955415782205
Energy: 1.309507399162233
Energy: 1.3090958414608986
Energy: 1.309507399162233
Energy: 1.492370890278706
Energy: 1.2866837540046887
Energy: 1.3421135504533792
Energy: 1.2866837540036544
Energy: 1.3857186117565388
Energy: 1.3045776231585131
Energy: 1.5194640728760167
Energy: 1.304577623163638
Energy: 1.393288949113718
Energy: 1.283651528614887
Energy: 1.3978509455633514
Energy: 1.2836515286159214
Energy: 1.6896069920987908
Energy: 1.2986295208297851
Energy: 1.3930634928198493
Energy: 1.2986295208287506
Energy: 1.3988089972343036
Energy: 1.325284517752343
Energy: 1.531362039728666
Energy: 1.32528451774924
Energy: 1.3308349032883222
Energy: 1.30103879994866
Energy: 1.2841165437120996
Energy: 1.3010387999455573
Energy: 1.448140370616588
Energy: 1.3896871617158657
Energy: 1.364549951788557
Energy: 1.3896871617148316
Energy: 1.310582335523409
Energy: 1.3094319521874325
Energy: 1.2810049744360497
Energy: 1.3094319521874325
Energy: 1.340676767777918
Energy: 1.3267507922613837
Energy: 1.3786204613606394
Energy: 1.3267507922613837
Energy: 1.3002774341543657
Energy: 1.3011492501251811
Energy: 1.3321669245489882
Energy: 1.3011492501231599
Energy: 1.430833364362454
Energy: 1.3019198897292024
Energy: 1.3865045368802942
Energy: 1.3019198897250652
Energy: 1.5025448670627721
Energy: 1.2763320556729034
Energy: 1.3788753779569447
Energy: 1.2763320556739375
Energy: 1.498574634249376
Energy: 1.2767051199476527
Energy: 1.378850225703594
Energy: 1.2767051199486872
Energy: 1.2986904881153352
Energy: 1.3008531550379743
Energy: 1.3322855987892364
Energy: 1.3008531550348714
Energy: 1.3015943617373136
Energy: 1.3013267741802905
Energy: 1.3864460830154073
Energy: 1.3013267741823593
Energy: 1.3104309792220674
Energy: 1.326817818666558
Energy: 1.326291547079045
Energy: 1.3268178186655237
Energy: 1.315338689665248
Energy: 1.309521254987217
Energy: 1.2802675691517482
Energy: 1.30952125499032
Energy: 1.398975645755258
Energy: 1.3107045490856721
Energy: 1.2845501644183437
Energy: 1.3107045490836033
Energy: 1.3378509991397927
Energy: 1.300462798425188
Energy: 1.327604211525143
Energy: 1.3004627984282908
Energy: 1.4177585278069949
Energy: 1.278715822302066
Energy: 1.5073806700241537
Energy: 1.278715822298963
Energy: 1.733363366554422
Energy: 1.298096550263315
Energy: 1.3928048290886121
Energy: 1.298096550259178
Energy: 1.4921053371838535
Energy: 1.2836588364370143
Energy: 1.3070758889872984
Energy: 1.2836588364390829

minimum gb energy = 1.2697580406233466 eV
minimum distance =  2.28358181521207 Angstroms
sigma value = 89


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

Energy: 1.4267371268417544
Energy: 1.2191179566090877
Energy: 1.533491494225857
Energy: 1.2191179566090877
Energy: 1.3043490272596678
Energy: 1.2291048640246485
Energy: 1.4191317202083071
Energy: 1.229104864025448
Energy: 1.353008612197952
Energy: 1.2126629706470395
Energy: 1.252721725818127
Energy: 1.2126629706478698
Energy: 1.2842272633865066
Energy: 1.2543749280311953
Energy: 1.4590817837452055
Energy: 1.254374928031718
Energy: 1.2906875234182524
Energy: 1.2495333804686817
Energy: 1.2326974995881272
Energy: 1.2495333804689275
Energy: 1.2740653103750645
Energy: 1.3819649496516744
Energy: 1.3394640619497566
Energy: 1.3819649496519513
Energy: 1.2753545694495418
Energy: 1.2127395397481258
Energy: 1.232893185012965
Energy: 1.2127395397478797
Energy: 1.2764482724571424
Energy: 1.2534328095326233
Energy: 1.4038572628525223
Energy: 1.253432809531547
Energy: 1.3517910995411273
Energy: 1.2497627328352479
Energy: 1.2402396388031942
Energy: 1.2497627328355245
Energy: 1.2742286688652011
Energy: 1.2507110379334758
Energy: 1.2383268624852384
Energy: 1.2507110379323993
Energy: 1.3759298009638383
Energy: 1.2127493816503532
Energy: 1.4037648532397482
Energy: 1.21274938164983
Energy: 1.376290364588148
Energy: 1.2133449173848128
Energy: 1.4038030896613618
Energy: 1.2133449173850896
Energy: 1.3535339710612386
Energy: 1.2499296552764592
Energy: 1.2402928142154763
Energy: 1.2499296552753827
Energy: 1.3522709802281827
Energy: 1.2508368937864247
Energy: 1.2381632235976112
Energy: 1.250836893785871
Energy: 1.2750867876717158
Energy: 1.2535297699026682
Energy: 1.403622326614268
Energy: 1.2535297699029448

minimum gb energy = 1.2126629706470395 eV
minimum distance =  2.29242160280048 Angstroms
sigma value = 13


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

Energy: 1.3002628648807566
Energy: 1.1748917000068362
Energy: 1.4679754529146196
Energy: 1.1748917000068362
Energy: 1.2188960501657078
Energy: 1.1716467911162414
Energy: 1.2619801995518016
Energy: 1.1716467911173756
Energy: 1.256575232746286
Energy: 1.1480030820100788
Energy: 1.2793582248048736
Energy: 1.1480030820100788
Energy: 1.2533488185566108
Energy: 1.169739936989924
Energy: 1.2616817865642425
Energy: 1.169739936989924
Energy: 1.1989240431737211
Energy: 1.1682120992537286
Energy: 1.1988253678963394
Energy: 1.1682120992559972
Energy: 1.2882247683684416
Energy: 1.168483059550025
Energy: 1.2565845706012482
Energy: 1.1684830595488906
Energy: 1.2131445981284201
Energy: 1.1483165337781789
Energy: 1.2188127712517363
Energy: 1.1483165337781789
Energy: 1.2194883090001976
Energy: 1.1895044846384235
Energy: 1.2121505079991362
Energy: 1.189504484637289
Energy: 1.1929186136405485
Energy: 1.1683206474712164
Energy: 1.1938519636115066
Energy: 1.1683206474712164
Energy: 1.3594123318124203
Energy: 1.1686400741797212
Energy: 1.2799556543421997
Energy: 1.168640074178587
Energy: 1.263094731541873
Energy: 1.1481296476683296
Energy: 1.2514041687578428
Energy: 1.1481296476671954
Energy: 1.2567012977261334
Energy: 1.1485751123470977
Energy: 1.2119851029609565
Energy: 1.1485751123470977
Energy: 1.2809786807192425
Energy: 1.1699494597717461
Energy: 1.283985290750419
Energy: 1.169949459770612
Energy: 1.2419692345013842
Energy: 1.172735881991
Energy: 1.4052969610488593
Energy: 1.172735881991
Energy: 1.26307755554936
Energy: 1.1482980072978206
Energy: 1.2499821947516518
Energy: 1.1482980072978206
Energy: 1.2567408076420004
Energy: 1.148380299583099
Energy: 1.256367025954465
Energy: 1.1483802995842332
Energy: 1.2803453887645013
Energy: 1.1684816597894083
Energy: 1.1939315797814238
Energy: 1.168481659788274
Energy: 1.1995517689492383
Energy: 1.1687701075765193
Energy: 1.2805787464285585
Energy: 1.1687701075776538
Energy: 1.2130696901337295
Energy: 1.1483709951465584
Energy: 1.219046524157849
Energy: 1.1483709951465584
Energy: 1.2193234280536145
Energy: 1.1484383882464406
Energy: 1.2130453482261752
Energy: 1.1484383882464406
Energy: 1.2805847338042835
Energy: 1.168805679949718
Energy: 1.1994675638240606
Energy: 1.168805679949718
Energy: 1.194065460979166
Energy: 1.168439616500643
Energy: 1.2803453887701728
Energy: 1.168439616500643
Energy: 1.2563670259590018
Energy: 1.1483910168197868
Energy: 1.2567615858571393
Energy: 1.1483910168197868
Energy: 1.2499821947459806
Energy: 1.1482855025908028
Energy: 1.2630508935255496
Energy: 1.148285502591937
Energy: 1.4056131611447233
Energy: 1.172487652674601
Energy: 1.2421259510861666
Energy: 1.1724876526734667
Energy: 1.2841238839963363
Energy: 1.1699895766583328
Energy: 1.2809786807317194
Energy: 1.1699895766583328
Energy: 1.2120066329244343
Energy: 1.1485748571691083
Energy: 1.25667642824964
Energy: 1.1485748571691083
Energy: 1.251404168749903
Energy: 1.148114715056933
Energy: 1.263088831802545
Energy: 1.1481147150580673
Energy: 1.2799414714065545
Energy: 1.1686678058492144
Energy: 1.3589617688576492
Energy: 1.1686678058503486
Energy: 1.193827680469876
Energy: 1.168303621379815
Energy: 1.1929263494982478
Energy: 1.1683036213820837
Energy: 1.2119376542458924
Energy: 1.189714484531915
Energy: 1.219168747860926
Energy: 1.189714484531915
Energy: 1.2188117060391297
Energy: 1.1482996901227578
Energy: 1.2131387026361984
Energy: 1.148299690123892
Energy: 1.2565904736784017
Energy: 1.1684829583604228
Energy: 1.2872113502660345
Energy: 1.1684829583604228
Energy: 1.2001656585437286
Energy: 1.1682084223174571
Energy: 1.1989268063347778
Energy: 1.1682084223174571
Energy: 1.2615743337382268
Energy: 1.1685272179576132
Energy: 1.253339911252559
Energy: 1.1685272179587476

minimum gb energy = 1.1480030820100788 eV
minimum distance =  2.30310001524931 Angstroms
sigma value = 37


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

Energy: 1.316419284406019
Energy: 1.099445028773657
Energy: 1.410548880906597
Energy: 1.0994450287734574
Energy: 1.150833102523771
Energy: 1.1257760344595715
Energy: 1.1948949724098783
Energy: 1.1257760344595715
Energy: 1.228289333456142
Energy: 1.0727786725438955
Energy: 1.249814378420376
Energy: 1.0727786725434962
Energy: 1.2318822104688534
Energy: 1.0822517287835847
Energy: 1.2493074385701115
Energy: 1.0822517287828086
Energy: 1.195281078560609
Energy: 1.0726895913663599
Energy: 1.2415978946980566
Energy: 1.0726895913671362
Energy: 1.2901481599187086
Energy: 1.1017349629143451
Energy: 1.2104403596515516
Energy: 1.1017349629141457
Energy: 1.1578728316791091
Energy: 1.072826692631956
Energy: 1.1731846575164007
Energy: 1.072826692632333
Energy: 1.1594854196593842
Energy: 1.1850061887133951
Energy: 1.2034453249331043
Energy: 1.1850061887133951
Energy: 1.1634201485029614
Energy: 1.0726532969389522
Energy: 1.203333289737227
Energy: 1.072653296938176
Energy: 1.2896825891978496
Energy: 1.1017465152558998
Energy: 1.2058098854336416
Energy: 1.1017465152566759
Energy: 1.1724533942759454
Energy: 1.0727412109389483
Energy: 1.1911064285729507
Energy: 1.0727412109391479
Energy: 1.1741914613071596
Energy: 1.10274333866731
Energy: 1.204371271940519
Energy: 1.1027433386667111
Energy: 1.2286740822954476
Energy: 1.0723042244627505
Energy: 1.2437761517662673
Energy: 1.0723042244623735
Energy: 1.1507370144506912
Energy: 1.073235009817071
Energy: 1.2448438248705938
Energy: 1.0732350098209742
Energy: 1.2654370280324096
Energy: 1.099265211566155
Energy: 1.2395930045258508
Energy: 1.0992652115651793
Energy: 1.241485079550203
Energy: 1.1087999421587393
Energy: 1.1772435396586245
Energy: 1.1087999421587393
Energy: 1.2283048598121953
Energy: 1.0724287453493437
Energy: 1.2438260598608089
Energy: 1.072428745350519
Energy: 1.229866295547147
Energy: 1.0731815445707984
Energy: 1.2448992021825735
Energy: 1.0731815445700221
Energy: 1.1724821795707476
Energy: 1.0723284422090393
Energy: 1.239600179611713
Energy: 1.07232844220864
Energy: 1.1743990706279013
Energy: 1.1022897298045233
Energy: 1.2410469958327481
Energy: 1.1022897298049226

minimum gb energy = 1.0723042244623735 eV
minimum distance =  2.29496002400918 Angstroms
sigma value = 25


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

Energy: 1.2369418839494895
Energy: 0.9944876744578462
Energy: 1.247162486109166
Energy: 0.9944876744593701
Energy: 1.1147191113523673
Energy: 1.0209732175193598
Energy: 1.1020522261450891
Energy: 1.0209732175193598
Energy: 1.1047195356251331
Energy: 0.9782323774680401
Energy: 1.2016911774616879
Energy: 0.9782323774680401
Energy: 1.1237473859883425
Energy: 1.043107450999168
Energy: 1.101947695887247
Energy: 1.043107451000692
Energy: 1.135802882540629
Energy: 0.9665825820793468
Energy: 1.1004769652638828
Energy: 0.9665825820793468
Energy: 1.123850654674783
Energy: 1.0481184493809512
Energy: 1.1367666353028063
Energy: 1.0481184493794276
Energy: 1.056281693624563
Energy: 0.9661100165010827
Energy: 1.1259444907460754
Energy: 0.9661100164995589
Energy: 1.1210041946719418
Energy: 0.9815475323835038
Energy: 1.1367100880810685
Energy: 0.9815475323835038
Energy: 1.0746887100211184
Energy: 0.9661436550574977
Energy: 1.0862410121687207
Energy: 0.9661436550574977
Energy: 1.142911947247304
Energy: 1.0251313971384122
Energy: 1.0999777225595875
Energy: 1.0251313971384122
Energy: 1.0696176738642618
Energy: 0.9660050172894322
Energy: 1.0931087518483515
Energy: 0.9660050172879084
Energy: 1.117469970872289
Energy: 0.9817977098296271
Energy: 1.1356847351868893
Energy: 0.9817977098296271
Energy: 1.059263967990169
Energy: 0.9659894802673783
Energy: 1.1046346022772267
Energy: 0.9659894802658544
Energy: 1.111155194413097
Energy: 0.9815522206499284
Energy: 1.0954095412239275
Energy: 0.9815522206484046
Energy: 1.1134659867839882
Energy: 0.96603020231781
Energy: 1.1031305478261646
Energy: 0.96603020231781
Energy: 1.0873733569477826
Energy: 0.965673168066499
Energy: 1.0743845592103414
Energy: 0.965673168066499
Energy: 1.1008730466532746
Energy: 0.9781747036135351
Energy: 1.0916740738638884
Energy: 0.978174703615059
Energy: 1.0560571679636737
Energy: 1.0229210878869723
Energy: 1.090470091514803
Energy: 1.022921087888496
Energy: 1.1194032277268833
Energy: 0.9947457922891776
Energy: 1.1034851515974196
Energy: 0.9947457922891776
Energy: 1.1145555483084777
Energy: 0.9961498799420029
Energy: 1.1007873456817006
Energy: 0.9961498799420029
Energy: 1.1006040768417626
Energy: 0.97820766409714
Energy: 1.0903014449938733
Energy: 0.9782076640956162
Energy: 1.1127613538096224
Energy: 0.9840153677704397
Energy: 1.0904623411692453
Energy: 0.9840153677689157
Energy: 1.1134765032333456
Energy: 0.9660544517537604
Energy: 1.1034769708847516
Energy: 0.9660544517552843
Energy: 1.0870737625995783
Energy: 0.9659728252839977
Energy: 1.1356647644813127
Energy: 0.9659728252809499
Energy: 1.060323826532724
Energy: 0.9660460700589346
Energy: 1.1043424594417373
Energy: 0.9660460700589346
Energy: 1.1329038815732642
Energy: 0.9818753451638267
Energy: 1.0952462170939814
Energy: 0.9818753451623029

minimum gb energy = 0.965673168066499 eV
minimum distance =  2.30352762690845 Angstroms
sigma value = 41


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

Energy: 1.11710154671184
Energy: 0.9177832924517809
Energy: 1.1269751288897425
Energy: 0.9177832924517809
Energy: 0.9919713407087015
Energy: 0.930062349988597
Energy: 1.0438268031367204
Energy: 0.9300623499898464
Energy: 1.0074274233285876
Energy: 0.896087679798785
Energy: 1.1358300631297427
Energy: 0.8960876797975358
Energy: 1.035990247184356
Energy: 0.9658561214014634
Energy: 1.0432754225947611
Energy: 0.965856121400214
Energy: 1.1140646001735166
Energy: 0.8868032176609434
Energy: 1.0004720079513494
Energy: 0.8868032176609434
Energy: 1.0360276589649688
Energy: 0.9638362350921019
Energy: 1.0308556031184224
Energy: 0.9638362350933513
Energy: 1.0207408108639209
Energy: 0.8809359809100533
Energy: 1.0648714087842026
Energy: 0.8809359809100533
Energy: 1.037829861068602
Energy: 0.9690667686632427
Energy: 1.0307958658780805
Energy: 0.9690667686669907
Energy: 1.0615567774004235
Energy: 0.8809059919769973
Energy: 0.9935266844826075
Energy: 0.8809059919794958
Energy: 1.037824222954161
Energy: 0.92729696355384
Energy: 1.0385161651463883
Energy: 0.92729696355384
Energy: 1.0246656312696178
Energy: 0.8809161670294395
Energy: 1.0179575579212223
Energy: 0.8809161670281902
Energy: 1.0255981073899114
Energy: 0.9149532296323167
Energy: 1.0383812514282886
Energy: 0.9149532296323167
Energy: 1.0300325580021539
Energy: 0.8808576890184118
Energy: 1.0145381353604181
Energy: 0.8808576890171624
Energy: 1.0369746862834859
Energy: 0.8900543709310835
Energy: 1.0386000785202518
Energy: 0.8900543709298344
Energy: 1.0405511098598235
Energy: 0.8806405731089231
Energy: 0.9976818614603087
Energy: 0.8806405731089231
Energy: 1.0257173274880702
Energy: 0.8906856988912252
Energy: 1.0401078320873893
Energy: 0.8906856988912252
Energy: 1.0246717418884772
Energy: 0.8809698117158762
Energy: 1.044533764313047
Energy: 0.880969811714627
Energy: 1.0324171968963711
Energy: 0.8810154553758818
Energy: 1.0080354026916423
Energy: 0.8810154553746327
Energy: 1.0085340659372222
Energy: 0.8869442922924659
Energy: 1.0027642403499202
Energy: 0.8869442922912167
Energy: 1.0080674762404362
Energy: 0.9571871706668118
Energy: 0.986981279711519
Energy: 0.9571871706668118
Energy: 1.004670457416551
Energy: 0.8965427829794651
Energy: 1.0261014004328923
Energy: 0.8965427829807145
Energy: 0.9973268626139689
Energy: 0.9678849740121088
Energy: 1.0378708291688106
Energy: 0.9678849740108595
Energy: 1.0248650562204422
Energy: 0.9183626080638096
Energy: 1.0038192618114932
Energy: 0.9183626080638096
Energy: 1.0602011850552282
Energy: 0.9189178716381219
Energy: 0.987711893486881
Energy: 0.9189178716381219
Energy: 1.011433972222085
Energy: 0.8965173149853657
Energy: 1.0252731539713054
Energy: 0.8965173149841164
Energy: 1.0327013466842287
Energy: 0.8964012975913364
Energy: 1.0378376069154465
Energy: 0.8964012975913364
Energy: 1.0079282907731917
Energy: 0.887083074026118
Energy: 1.0040368484167919
Energy: 0.8870830740273673
Energy: 1.042122084685457
Energy: 0.8908353822608499
Energy: 1.0401368634749792
Energy: 0.890835382264598
Energy: 1.0193683045657556
Energy: 0.8807662050189794
Energy: 1.0446331494132823
Energy: 0.8807662050202287
Energy: 1.0368841766964962
Energy: 0.8801651140765179
Energy: 1.0342514430631347
Energy: 0.8801651140777672
Energy: 1.0406449837856542
Energy: 0.8808350920623285
Energy: 0.9925379847899042
Energy: 0.8808350920635778
Energy: 1.0264217038842212
Energy: 0.8898180495498824
Energy: 1.0491559733701612
Energy: 0.8898180495498824

minimum gb energy = 0.8801651140765179 eV
minimum distance =  2.30471447336829 Angstroms
sigma value = 15


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

Energy: 1.0406954470757448
Energy: 0.84744764722562
Energy: 1.032823159499125
Energy: 0.8474476472245616
Energy: 0.972681450226601
Energy: 0.9021748953714354
Energy: 0.9593358672616874
Energy: 0.9021748953714354
Energy: 0.930301023745927
Energy: 0.8384839419228874
Energy: 1.0240363584560144
Energy: 0.8384839419228874
Energy: 0.9636819127395048
Energy: 0.8915230668410415
Energy: 0.9671175847328686
Energy: 0.8915230668389249
Energy: 1.0530522135304534
Energy: 0.8250361025493576
Energy: 0.9236302068695496
Energy: 0.8250361025482992
Energy: 0.9639241172246348
Energy: 0.8906872835117425
Energy: 0.9594692627819384
Energy: 0.8906872835075091
Energy: 0.9377371141602023
Energy: 0.8154724909099703
Energy: 1.0028295353559986
Energy: 0.8154724909110285
Energy: 0.9562271241253529
Energy: 0.8896731465668833
Energy: 0.9598924357469008
Energy: 0.8896731465690002
Energy: 1.0050060517851342
Energy: 0.8124051563501221
Energy: 0.9202131306008208
Energy: 0.812405156345889
Energy: 0.9562445786445949
Energy: 0.8968163174450966
Energy: 0.960583114793369
Energy: 0.8968163174408632
Energy: 0.942826275500288
Energy: 0.8123487119032234
Energy: 0.9653772190765129
Energy: 0.8123487119063985
Energy: 0.9614209938254991
Energy: 0.8441736137754181
Energy: 0.9601205140001939
Energy: 0.8441736137711848
Energy: 0.9673654745858545
Energy: 0.8123812919413292
Energy: 0.9406112334189402
Energy: 0.8123812919413292
Energy: 0.9619003481303584
Energy: 0.8373888791900885
Energy: 0.961529070808562
Energy: 0.8373888791890303
Energy: 0.9638861440907426
Energy: 0.8122848645892077
Energy: 0.9395797049865224
Energy: 0.8122848645892077
Energy: 0.9614487228591431
Energy: 0.8359703728312897
Energy: 0.9596849183756216
Energy: 0.8359703728323482
Energy: 0.9468721510254967
Energy: 0.8122798731286737
Energy: 0.9593136163433263
Energy: 0.8122798731276153
Energy: 0.9597974348026498
Energy: 0.8204103976270533
Energy: 0.9636779410031451
Energy: 0.8204103976228199
Energy: 0.9862949299853476
Energy: 0.8122367503596247
Energy: 0.9243477855630811
Energy: 0.8122367503627999
Energy: 0.9606166011889439
Energy: 0.8263903812594993
Energy: 0.9550365627432423
Energy: 0.826390381264791
Energy: 0.9418290096801819
Energy: 0.8155672401335071
Energy: 0.9771879655695074
Energy: 0.8155672401345654
Energy: 0.9618949861333301
Energy: 0.8854523610454246
Energy: 0.9659573160254133
Energy: 0.8854523610475413
Energy: 0.9509050163099432
Energy: 0.8250703405307865
Energy: 0.9249758680526394
Energy: 0.8250703405318449
Energy: 0.966805660589044
Energy: 0.8896961430448412
Energy: 0.9657816319852542
Energy: 0.8896961430448412
Energy: 0.9287515844178265
Energy: 0.838107350879403
Energy: 0.9714130575512964
Energy: 0.8381073508772863
Energy: 0.9239408776273905
Energy: 0.8958464281257219
Energy: 0.9806039295807575
Energy: 0.8958464281236055
Energy: 0.9646505484382321
Energy: 0.848960670166678
Energy: 0.9261929466982187
Energy: 0.8489606701709115
Energy: 0.972792235769879
Energy: 0.8575020302667598
Energy: 0.9656622742730365
Energy: 0.8575020302678181
Energy: 0.9354137963068422
Energy: 0.8382505301999336
Energy: 0.9715813600870552
Energy: 0.8382505301988752
Energy: 0.9621132845706714
Energy: 0.8357637068714464
Energy: 0.9806286132028498
Energy: 0.8357637068714464
Energy: 0.9500553116135159
Energy: 0.82494760148125
Energy: 0.9262692765199817
Energy: 0.8249476014759584
Energy: 0.9666441757415939
Energy: 0.8323562615708936
Energy: 0.9553302462479735
Energy: 0.8323562615698352
Energy: 0.936943928784887
Energy: 0.8155169579691313
Energy: 0.9769711522590655
Energy: 0.8155169579723063
Energy: 0.9600565684573005
Energy: 0.8191777276031132
Energy: 0.965873456698438
Energy: 0.8191777276020549
Energy: 0.9861014552748966
Energy: 0.8123643681109125
Energy: 0.9379311452798776
Energy: 0.8123643681109125
Energy: 0.9603018021025366
Energy: 0.8249925821568524
Energy: 0.9599359106010866
Energy: 0.824992582158969
Energy: 0.9406558221074885
Energy: 0.8124591637031355
Energy: 0.9592173990108652
Energy: 0.812459163701067

minimum gb energy = 0.8122367503596247 eV
minimum distance =  2.31503916941715 Angstroms
sigma value = 85


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

Energy: 1.0497703894165002
Energy: 0.7952272796756488
Energy: 0.9178963354388869
Energy: 0.795227279673813
Energy: 0.8802404540497637
Energy: 0.9374504653163714
Energy: 0.891308193453248
Energy: 0.9374504653154535
Energy: 0.8348829411053873
Energy: 0.7918749026510149
Energy: 1.0044811493512669
Energy: 0.7918749026537686
Energy: 0.8725487761382043
Energy: 0.7984808647267794
Energy: 0.8913687795644919
Energy: 0.7984808647258614
Energy: 1.0318105267739852
Energy: 0.7587485018410791
Energy: 0.8357389230499096
Energy: 0.7587485018410791
Energy: 0.8726900047084628
Energy: 0.7982785027669232
Energy: 0.8848421868716879
Energy: 0.7982785027650876
Energy: 0.8554948429337744
Energy: 0.7595948241941515
Energy: 1.0001655016355473
Energy: 0.7595948241932335
Energy: 0.87892737430431
Energy: 0.8099874970250518
Energy: 0.8850806695461169
Energy: 0.8099874970278056
Energy: 0.9609490852037034
Energy: 0.7403460202623592
Energy: 0.882111373880954
Energy: 0.7403460202632771
Energy: 0.8789964939284912
Energy: 0.8195291044198841
Energy: 0.8861333853278238
Energy: 0.8195291044198841
Energy: 0.860326974485891
Energy: 0.7402997375251799
Energy: 0.9439339946807414
Energy: 0.7402997375260978
Energy: 0.8915505525625652
Energy: 0.7468469579932301
Energy: 0.8860463173357594
Energy: 0.746846957992312
Energy: 0.9050220177299082
Energy: 0.7403476624460772
Energy: 0.8774569661149961
Energy: 0.7403476624469951
Energy: 0.8913658916883033
Energy: 0.7726850996519729
Energy: 0.8922630077784053
Energy: 0.7726850996519729
Energy: 0.8630731257206422
Energy: 0.7404830745840428
Energy: 0.9035389087126114
Energy: 0.7404830745840428
Energy: 0.8888422794571573
Energy: 0.771762257011397
Energy: 0.8923570453749475
Energy: 0.771762257011397
Energy: 0.8662033329472375
Energy: 0.7405664600980121
Energy: 0.8946716687622654
Energy: 0.7405664600980121
Energy: 0.8906861174960896
Energy: 0.7713175348094059
Energy: 0.8921367465143675
Energy: 0.7713175348094059
Energy: 0.8851905418201473
Energy: 0.7406211876363706
Energy: 0.8816778328379896
Energy: 0.7406211876354528
Energy: 0.8866633443578651
Energy: 0.7467817201767802
Energy: 0.916719376840729
Energy: 0.7467817201767802
Energy: 0.8482117007279583
Energy: 0.7404039214722957
Energy: 0.9229561430288237
Energy: 0.7404039214713777
Energy: 0.8800193424526553
Energy: 0.7469471674342761
Energy: 0.8893550103872737
Energy: 0.7469471674342761
Energy: 0.9153496575911354
Energy: 0.7405148359592979
Energy: 0.8790231320925107
Energy: 0.7405148359592979
Energy: 0.8922499340812738
Energy: 0.8112320179840518
Energy: 0.8679404730883331
Energy: 0.8112320179840518
Energy: 0.85859606035766
Energy: 0.7597060874552954
Energy: 0.8851219257908154
Energy: 0.7597060874562134
Energy: 0.8727749521252726
Energy: 0.7984706595240552
Energy: 0.8848684386555414
Energy: 0.7984706595249731
Energy: 0.9087747630273073
Energy: 0.7592810691349173
Energy: 0.8369485467589411
Energy: 0.7592810691349173
Energy: 0.9023763746080671
Energy: 0.8058842364445546
Energy: 0.8609183515567941
Energy: 0.8058842364436368
Energy: 0.8334394206068849
Energy: 0.7927352778384528
Energy: 0.8946755719687879
Energy: 0.7927352778384528
Energy: 0.8632328490508392
Energy: 0.7569322183941153
Energy: 0.8913301881936994
Energy: 0.7569322183941153
Energy: 0.9329375180122653
Energy: 0.796284489489657
Energy: 0.8378319256304962
Energy: 0.7962844894887391
Energy: 0.9226613825638937
Energy: 0.8143598569435726
Energy: 0.861208931173027
Energy: 0.8143598569426547
Energy: 0.8334295284366239
Energy: 0.7926695407023935
Energy: 0.8951664677213627
Energy: 0.7926695407033115
Energy: 0.8726972727651754
Energy: 0.7424017026196297
Energy: 0.8911531262160023
Energy: 0.7424017026205476
Energy: 0.909114818640816
Energy: 0.7591571306650178
Energy: 0.8376117476426744
Energy: 0.7591571306677715
Energy: 0.90238187544655
Energy: 0.7399561274765578
Energy: 0.867803057771437
Energy: 0.7399561274765578
Energy: 0.8550641102378423
Energy: 0.7597281565083327
Energy: 0.8850508818492312
Energy: 0.7597281565083327
Energy: 0.8801055543412386
Energy: 0.7354255091586887
Energy: 0.8848223635109862
Energy: 0.7354255091586887
Energy: 0.9154223193835477
Energy: 0.7404911762289206
Energy: 0.8791075624948688
Energy: 0.7404911762280026
Energy: 0.8925289031051176
Energy: 0.7359266945737876
Energy: 0.8865618025442233
Energy: 0.7359266945765203
Energy: 0.8567212568764015
Energy: 0.7405543738748267
Energy: 0.9225938783735131
Energy: 0.7405543738748267
Energy: 0.8911565069030934
Energy: 0.7465978872774327
Energy: 0.8892689969925135
Energy: 0.7465978872755971
Energy: 0.8852131501901238
Energy: 0.735647228422225
Energy: 0.8801688464335672
Energy: 0.735647228421307

minimum gb energy = 0.7354255091586887 eV
minimum distance =  2.31283711441231 Angstroms
sigma value = 113


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

Energy: 0.014930193415238465
Energy: 0.015065583896759166
Energy: 1.4525035490492728
Energy: 0.015065583896759166
Energy: 0.015865091969302417
Energy: 0.7115008948283283
Energy: 0.015865091969302417
Energy: 0.7115008948283283
Energy: 1.4525035490492728
Energy: 0.015065583896759166
Energy: 0.014930193414532828
Energy: 0.015065583896759166
Energy: 0.015865091969302417
Energy: 0.7115008948283283
Energy: 0.015865091969302417
Energy: 0.7115008948283283
Energy: 0.014930193414532828
Energy: 0.015065583897464803
Energy: 1.4525035490492728
Energy: 0.015065583896759166
Energy: 0.015865091969302417
Energy: 0.7115008948283283
Energy: 0.015865091969302417
Energy: 0.7115008948283283

minimum gb energy = 0.014930193414532828 eV
minimum distance =  2.44503963035244 Angstroms
sigma value = 1