Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.518474650382997
cohesive_energy=4.34606645024629
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.9172417612983e-19, 4.404928306921559e-19, 4.73504078059092e-19, 5.0180973265197e-19, 5.24025513859014e-19, 5.40324456756696e-19, 5.5284706932804e-19, 5.636409333112979e-19, 5.7416402944341e-19, 5.849675064864719e-19, 5.96096225386236e-19, 6.07582229675382e-19, 6.19555295661264e-19, 6.317991294982919e-19, 6.43487008043322e-19, 6.533243725760819e-19, 6.606238893205859e-19, 6.661578074144219e-19, 6.719496759463319e-19, 6.79894869874338e-19, 6.883046950262039e-19, 6.93696019399614e-19, 6.9579326861352e-19, 6.962611041906479e-19, 6.958156990863959e-19, 6.943529118195539e-19, 6.916676637809699e-19, 6.87535650241884e-19, 6.81714942530562e-19, 6.7393317061922395e-19, 6.638907274773119e-19, 6.512383385986139e-19, 6.35537007585414e-19, 6.16208348672838e-19, 5.92443262660716e-19, 5.631955282070459e-19, 5.27279534602668e-19, 4.82865596131554e-19, 4.2673173558273e-19, 3.5353629605843995e-19, 2.5374472440975e-19, 1.077627208381668e-19, -1.0862405099660518e-19, -4.3334231637461397e-19, -9.29129467059378e-19]
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: 0.017693150620589695
Energy: 0.017986401400231812
Energy: 0.8799487737872882
Energy: 0.14601658059607317
Energy: 0.017986401400231812
Energy: 1.1957005454171872
Energy: 0.14601658059544784
Energy: 1.1957005456009573
Energy: 0.8799487737737152
Energy: 0.14601658059544784
Energy: 0.017693150620589695
Energy: 0.017986401399569706
Energy: 0.14601658059607317
Energy: 1.195700545233417
Energy: 0.017986401398944387
Energy: 1.1957005455640635

minimum gb energy = 0.017693150620589695 eV
minimum distance =  2.37722563074638 Angstroms
sigma value = 1


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

Energy: 1.7153914025753814
Energy: 1.1473461700793604
Energy: 1.2231540836918786
Energy: 1.221978809897088
Energy: 1.147131756416512
Energy: 1.261470668660459
Energy: 1.1468722976818828
Energy: 1.2614706686588533
Energy: 1.222931144210224
Energy: 1.2235406032115104
Energy: 1.8775247550234628
Energy: 1.2235406032195402
Energy: 1.1508279864656852
Energy: 1.146100390884833
Energy: 1.147900420128963
Energy: 1.146100390888848
Energy: 1.5835782498542725
Energy: 1.147172871475714
Energy: 1.1478865347916827
Energy: 1.1471728714797285
Energy: 1.1996859475092014
Energy: 1.3018681610223912
Energy: 1.1469924112178231
Energy: 1.301868161023997
Energy: 1.20023804382347
Energy: 1.2292008667907268
Energy: 1.2652369449141874
Energy: 1.229200866787515
Energy: 1.2001981993979731
Energy: 1.2856357166691401
Energy: 1.256505234668873
Energy: 1.2856357166675338
Energy: 1.3541433698912666
Energy: 1.2944790580061118
Energy: 1.2565156142998375
Energy: 1.2944790580061118
Energy: 1.2676259605601004
Energy: 1.2827715623396363
Energy: 1.2449293146058682
Energy: 1.2827715623420453
Energy: 1.263202033523453
Energy: 1.2933675589642244
Energy: 1.3543089225729272
Energy: 1.293367558965027
Energy: 1.1996231926527152
Energy: 1.2969893354719662
Energy: 1.2559515060324573
Energy: 1.296989335471236
Energy: 1.2041811415802128
Energy: 1.2287086029913747
Energy: 1.2629092494245593
Energy: 1.2287086029921774
Energy: 1.1999216611862373
Energy: 1.2283352153619462
Energy: 1.2096875620608567
Energy: 1.2283352153603402
Energy: 1.2630460289345145
Energy: 1.1473454275233448
Energy: 1.1462837570560507
Energy: 1.1473454275225416
Energy: 1.1910893591533636
Energy: 1.1462742506800483
Energy: 1.1465035117574987
Energy: 1.1462742506832602
Energy: 1.2213761727432244
Energy: 1.2210719803450436
Energy: 1.2371348566852756
Energy: 1.2210719803426346
Energy: 1.1491961117659393
Energy: 1.1464311229405595
Energy: 1.1479954779582702
Energy: 1.1464311229574222
Energy: 1.2541801574672913
Energy: 1.223732147434481
Energy: 1.2231486058744785
Energy: 1.223732147431269
Energy: 1.1986184627917653
Energy: 1.1474288193825743
Energy: 1.150427293048523
Energy: 1.1474288193825743
Energy: 1.1473750746811682
Energy: 1.1460670623929332
Energy: 1.26773509173038
Energy: 1.14606706239213
Energy: 1.147461538765227
Energy: 1.1457056565561239
Energy: 1.1997712965376743
Energy: 1.145705656555321
Energy: 1.2654438404698265
Energy: 1.2289094484442658
Energy: 1.1983511848087651
Energy: 1.2289094484442658
Energy: 1.2547140353748159
Energy: 1.230482163436691
Energy: 1.201531922687651
Energy: 1.230482163439903
Energy: 1.2542388300435043
Energy: 1.2926722153983388
Energy: 1.3544509213640907
Energy: 1.2926722153967325
Energy: 1.253957680088216
Energy: 1.2914130353543498
Energy: 1.2684528984395704
Energy: 1.291413035353547
Energy: 1.3574002066870912
Energy: 1.294591046306565
Energy: 1.2634312731770585
Energy: 1.294591046308171
Energy: 1.2550750735610023
Energy: 1.2931623464345579
Energy: 1.2533341472027726
Energy: 1.293162346439303
Energy: 1.2625604787401985
Energy: 1.228163381876241
Energy: 1.2036192067309166
Energy: 1.228163381875438
Energy: 1.209297645153798
Energy: 1.228328856673323
Energy: 1.2001608433685782
Energy: 1.228328856673323
Energy: 1.1454115359101724
Energy: 1.1457616061370919
Energy: 1.262799663653572
Energy: 1.1457616061370919
Energy: 1.1460941232611668
Energy: 1.1472454737973214
Energy: 1.2370766116313616
Energy: 1.1472454737989273
Energy: 1.2378229242897143
Energy: 1.1513129254988297
Energy: 1.221297139229817
Energy: 1.1513129254980266

minimum gb energy = 1.1454115359101724 eV
minimum distance =  2.15901064546384 Angstroms
sigma value = 1


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

Energy: 1.9785388085025089
Energy: 1.1929069324704509
Energy: 1.2800463956587709
Energy: 1.278091924178952
Energy: 1.200114378978847
Energy: 1.3153983582979685
Energy: 1.1935952671769328
Energy: 1.3153983583016307
Energy: 1.2776862568223184
Energy: 1.2789842874524502
Energy: 1.3188036349960406
Energy: 1.2789842874396324
Energy: 1.2003412245646887
Energy: 1.1940052243146237
Energy: 1.1937593590128732
Energy: 1.1940052243164545
Energy: 1.3211861247120693
Energy: 1.1943698335349537
Energy: 1.1947827053865925
Energy: 1.1943698335431938
Energy: 1.2618550647807867
Energy: 1.3211462422866225
Energy: 1.1941596957559992
Energy: 1.3211462422902847
Energy: 1.2623982127285627
Energy: 1.2922885166853448
Energy: 1.3203865716434608
Energy: 1.292288516677105
Energy: 1.2637398960618367
Energy: 1.2986236607306134
Energy: 1.3238490502028697
Energy: 1.2986236607324448
Energy: 1.3210227062666784
Energy: 1.3584994035421125
Energy: 1.3470392770294526
Energy: 1.3584994035421125
Energy: 1.3220127874770162
Energy: 1.3594914232373512
Energy: 1.2760236637401259
Energy: 1.3594914232300266
Energy: 1.3261457675064263
Energy: 1.2921304219784573
Energy: 1.2766863763413914
Energy: 1.2921304219683862
Energy: 1.2695615725403981
Energy: 1.2926400373480065
Energy: 1.2638099482583989
Energy: 1.2926400373461753
Energy: 1.195398383621553
Energy: 1.1936928599665824
Energy: 1.326026592100736
Energy: 1.1936928599693286
Energy: 1.195201714507252
Energy: 1.1936404498932431
Energy: 1.2471583886294568
Energy: 1.1936404498868343
Energy: 1.3051431311204291
Energy: 1.2774696874681133
Energy: 1.2779285682737378
Energy: 1.2774696874681133
Energy: 1.2032991942751963
Energy: 1.2007893659042908
Energy: 1.1935095108414533
Energy: 1.2007893659088686
Energy: 1.2796684499703501
Energy: 1.2786033642677843
Energy: 1.3212702663285778
Energy: 1.2786033642659533
Energy: 1.2002353775743595
Energy: 1.1936784077645755
Energy: 1.2602160886886953
Energy: 1.1936784077645755
Energy: 1.3209953936161138
Energy: 1.193563496989636
Energy: 1.1949513186420078
Energy: 1.1935634969914675
Energy: 1.2622862679327957
Energy: 1.1939432970726096
Energy: 1.1953938358159086
Energy: 1.1939432970707782
Energy: 1.260646586293089
Energy: 1.292675604765225
Energy: 1.3212721090244466
Energy: 1.2926756047707184
Energy: 1.2653803781496529
Energy: 1.2962116397283585
Energy: 1.3224725536474624
Energy: 1.2962116397210346
Energy: 1.4843751349621839
Energy: 1.3595283254729325
Energy: 1.3062697623578992
Energy: 1.3595283254646926
Energy: 1.3209839690924439
Energy: 1.3615634136579742
Energy: 1.322586147475752
Energy: 1.3615634136497345
Energy: 1.3261280842330176
Energy: 1.2924322663640762
Energy: 1.276149797287453
Energy: 1.2924322663686538
Energy: 1.3264979190335517
Energy: 1.2921406157685613
Energy: 1.264007744821323
Energy: 1.29214061575849
Energy: 1.193906958004001
Energy: 1.1934980965879243
Energy: 1.3262031453499539
Energy: 1.19349809658884
Energy: 1.1947507728882922
Energy: 1.1942457540272056
Energy: 1.306188495240841
Energy: 1.194245754029037
Energy: 1.3052330436055342
Energy: 1.2001346625344347
Energy: 1.2784056221739561
Energy: 1.20013466253535

minimum gb energy = 1.1929069324704509 eV
minimum distance =  2.15432414707255 Angstroms
sigma value = 25


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

Energy: 1.8772697105346572
Energy: 1.2361089669190346
Energy: 1.3360079367408033
Energy: 1.3362203947766953
Energy: 1.2628083298346218
Energy: 1.3684367564478157
Energy: 1.244808656521465
Energy: 1.3684367564467512
Energy: 1.3355587362072836
Energy: 1.3352727625082697
Energy: 1.2786938488612283
Energy: 1.3352727625146552
Energy: 1.2536215376918622
Energy: 1.245310923883444
Energy: 1.2447674074738062
Energy: 1.245310923883444
Energy: 1.3254407728851354
Energy: 1.2454394663736303
Energy: 1.2470406686334012
Energy: 1.2454394663725659
Energy: 1.3427503076370262
Energy: 1.3869063968023827
Energy: 1.2449222968763136
Energy: 1.3869063968013184
Energy: 1.3396365690305252
Energy: 1.3705932631852573
Energy: 1.3736587039014279
Energy: 1.3705932631863218
Energy: 1.342915510935985
Energy: 1.3742070123863719
Energy: 1.3912106653777907
Energy: 1.3742070123853074
Energy: 1.3391999447789285
Energy: 1.3698156643012025
Energy: 1.3839437333210969
Energy: 1.369815664299074
Energy: 1.3425688561266866
Energy: 1.3696720385674062
Energy: 1.2456186233070223
Energy: 1.3696720385695347
Energy: 1.385368634505498
Energy: 1.2453337933108035
Energy: 1.2453021997562206
Energy: 1.245333793307611
Energy: 1.3087635668736446
Energy: 1.2451643090736064
Energy: 1.2449461335449825
Energy: 1.2451643090736064
Energy: 1.3360381229610343
Energy: 1.335580112077013
Energy: 1.2600690007495312
Energy: 1.3355801120791415
Energy: 1.2456757783186085
Energy: 1.2545461856670856
Energy: 1.26399856600707
Energy: 1.2545461856670856
Energy: 1.2775480824270589
Energy: 1.336045964459601
Energy: 1.3388571153753983
Energy: 1.3360459644585365
Energy: 1.3359811894901756
Energy: 1.2548780044484078
Energy: 1.2532901165142698
Energy: 1.2548780044484078
Energy: 1.2449470068513309
Energy: 1.2449641827497588
Energy: 1.389928269400415
Energy: 1.2449641827486948
Energy: 1.2444815858075238
Energy: 1.2451485561042483
Energy: 1.3416174290173295
Energy: 1.245148556103184
Energy: 1.3730049723922044
Energy: 1.3705109951055503
Energy: 1.337797118781393
Energy: 1.3705109951055503
Energy: 1.3925779299512762
Energy: 1.3709494643218467
Energy: 1.3396303862936738
Energy: 1.370949464322911
Energy: 1.3838753734184166
Energy: 1.369715216146693
Energy: 1.377934797342865
Energy: 1.369715216146693
Energy: 1.3838242151726663
Energy: 1.370343874767479
Energy: 1.344235775893557
Energy: 1.370343874767479
Energy: 1.246516024225341
Energy: 1.2451263689547116
Energy: 1.3861396063788423
Energy: 1.2451263689536474
Energy: 1.2446779641446444
Energy: 1.2450827674451466
Energy: 1.3863916478049272
Energy: 1.2450827674451466
Energy: 1.2607795603090552
Energy: 1.2539090365048848
Energy: 1.3373153673636224
Energy: 1.2539090365133994

minimum gb energy = 1.2361089669190346 eV
minimum distance =  2.15926019984478 Angstroms
sigma value = 9


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

Energy: 1.7178510773790563
Energy: 1.2752758060558236
Energy: 1.3918300609222332
Energy: 1.3902797061860825
Energy: 1.3586270346172624
Energy: 1.414871629317723
Energy: 1.3106724914192607
Energy: 1.414871629318993
Energy: 1.3908570216506444
Energy: 1.3900332796810735
Energy: 1.3168580469856972
Energy: 1.3900332796836126
Energy: 1.319882800331772
Energy: 1.3082715035174004
Energy: 1.3086882572938436
Energy: 1.308271503522479
Energy: 1.349256374112194
Energy: 1.3090034586942727
Energy: 1.3128170463276545
Energy: 1.3090034586968116
Energy: 1.4295989706956425
Energy: 1.4778871593408758
Energy: 1.3097789194045544
Energy: 1.4778871593408758
Energy: 1.3548336701010535
Energy: 1.4573368413947851
Energy: 1.3507936378641234
Energy: 1.4573368413935153
Energy: 1.3512899585664244
Energy: 1.462622280048045
Energy: 1.4295093819636517
Energy: 1.4626222800455349
Energy: 1.308244711705983
Energy: 1.308984876303876
Energy: 1.2595758113535263
Energy: 1.3089848763089258
Energy: 1.3081641771988182
Energy: 1.3085653434303086
Energy: 1.2596437572399977
Energy: 1.3085653434303086
Energy: 1.2598240300965138
Energy: 1.3898685683072076
Energy: 1.3891489215364512
Energy: 1.3898685683059382
Energy: 1.3525578054105711
Energy: 1.3193955502468921
Energy: 1.3096933250456504
Energy: 1.3193955502481614
Energy: 1.3898506763990792
Energy: 1.3909543408576674
Energy: 1.316273834383841
Energy: 1.3909543408563976
Energy: 1.319506040117354
Energy: 1.3192810735226077
Energy: 1.3157915625735808
Energy: 1.3192810735200688
Energy: 1.3492143741394294
Energy: 1.3089475534945894
Energy: 1.3079372526781268
Energy: 1.3089475534958588
Energy: 1.4297294310062885
Energy: 1.3086054268311076
Energy: 1.309536427193538
Energy: 1.3086054268285683
Energy: 1.3637535931580476
Energy: 1.4585084849590175
Energy: 1.35174805104485
Energy: 1.4585084849628263
Energy: 1.3541088437062223
Energy: 1.4578613279452215
Energy: 1.3512543944478863
Energy: 1.4578613279490304
Energy: 1.3069752184911312
Energy: 1.309159428980113
Energy: 1.2595488463622033
Energy: 1.3091594289750632
Energy: 1.3094271579583097
Energy: 1.3083274936204141
Energy: 1.2598959501200928
Energy: 1.3083274936229532
Energy: 1.2596915741698187
Energy: 1.3192545069762847
Energy: 1.3913320360510022
Energy: 1.3192545069673973

minimum gb energy = 1.2595488463622033 eV
minimum distance =  2.156918435928 Angstroms
sigma value = 25


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

Energy: 1.4972536680415875
Energy: 1.3117150587723587
Energy: 1.4460058218157006
Energy: 1.444657080213194
Energy: 1.2967567002871134
Energy: 1.4115887947424939
Energy: 1.3359892858240183
Energy: 1.4115887947424939
Energy: 1.4448133907278091
Energy: 1.4442111466320853
Energy: 1.2988250696064885
Energy: 1.4442111466352257
Energy: 1.3008528726396151
Energy: 1.4114070601750994
Energy: 1.3365278392737294
Energy: 1.4114070601750994
Energy: 1.3951118669291822
Energy: 1.404035371901958
Energy: 1.393787503689046
Energy: 1.4040353719003877
Energy: 1.3008770597100958
Energy: 1.3953793592579322
Energy: 1.3358963495460632
Energy: 1.395379359256362
Energy: 1.301825063242384
Energy: 1.4013374983852838
Energy: 1.3947860802290153
Energy: 1.4013374983884241
Energy: 1.2943289456623528
Energy: 1.3969227972277742
Energy: 1.3398643931249594
Energy: 1.3969227972308789
Energy: 1.4426606414927572
Energy: 1.4441061260190171
Energy: 1.300942915028446
Energy: 1.4441061260190171
Energy: 1.4757319068660195
Energy: 1.302513137800714
Energy: 1.2948136613890746
Energy: 1.302513137800714
Energy: 1.2984332638019154
Energy: 1.4455222592076233
Energy: 1.443964993324869
Energy: 1.4455222592076233
Energy: 1.302227834324774
Energy: 1.306499441747881
Energy: 1.443108082843126
Energy: 1.3064994417494513
Energy: 1.3380061165751793
Energy: 1.3004743870491386
Energy: 1.3953045824175736
Energy: 1.3004743870475688
Energy: 1.393882787760245
Energy: 1.403697503384876
Energy: 1.3024151173714016
Energy: 1.403697503386446
Energy: 1.3982040407176037
Energy: 1.397112273278079
Energy: 1.473657714634635
Energy: 1.397112273278079
Energy: 1.336574018992955
Energy: 1.39771910298877
Energy: 1.4765054548512846
Energy: 1.3977191029934801
Energy: 1.295385098009699
Energy: 1.3018271791683051
Energy: 1.447821926056331
Energy: 1.3018271791683051

minimum gb energy = 1.2943289456623528 eV
minimum distance =  2.22566770413653 Angstroms
sigma value = 17


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

Energy: 2.1508385171467257
Energy: 1.4772506280111637
Energy: 1.5620797327885663
Energy: 1.5624598396847407
Energy: 1.3341180205736372
Energy: 1.3998801167518324
Energy: 1.5003348030436408
Energy: 1.3998801167464967
Energy: 1.4052773483148202
Energy: 1.4044286084564868
Energy: 1.4626486772460658
Energy: 1.4044286084600437
Energy: 1.4051988261406765
Energy: 1.4785213725063313
Energy: 1.3972392085996024
Energy: 1.4785213725081099
Energy: 1.4763406689285232
Energy: 1.5237231878947681
Energy: 1.4457690306911741
Energy: 1.5237231878947681
Energy: 1.4022608003669268
Energy: 1.5239062809006962
Energy: 1.4056904528604766
Energy: 1.5239062808998067
Energy: 1.4569341403764189
Energy: 1.4029225596463928
Energy: 1.4051685785558536
Energy: 1.402922559647282
Energy: 1.4586425191737777
Energy: 1.3979818315495887
Energy: 1.4044354350128525
Energy: 1.3979818315522563
Energy: 1.5678525677314084
Energy: 1.5641601752219874
Energy: 1.460824335323033
Energy: 1.564160175224655
Energy: 1.5694576561782945
Energy: 1.4630734938997219
Energy: 1.3965401155248642
Energy: 1.4630734938979433
Energy: 1.4707509947535724
Energy: 1.3935945791916249
Energy: 1.3623166408321334
Energy: 1.3935945791925142
Energy: 1.4665642432952006
Energy: 1.3936164147651495
Energy: 1.3914455601291502
Energy: 1.3936164146185033
Energy: 1.4661750468903694
Energy: 1.3930944754989154
Energy: 1.3917362323900384
Energy: 1.393094475490912
Energy: 1.4594897520308427
Energy: 1.391541078065664
Energy: 1.3629485213184238
Energy: 1.391541078069221
Energy: 1.5663445766165698
Energy: 1.4634608998732936
Energy: 1.4616637149461214
Energy: 1.4634608998741832
Energy: 1.5642066651632114
Energy: 1.5634316329728521
Energy: 1.4559608477116917
Energy: 1.5634316329764093
Energy: 1.4613779605209853
Energy: 1.4044412018959618
Energy: 1.403047755051409
Energy: 1.4044412018959618
Energy: 1.4720983251275366
Energy: 1.4049037776369877
Energy: 1.4012215471426737
Energy: 1.4049037776352091
Energy: 1.3982087122938034
Energy: 1.5225682149419288
Energy: 1.4728779510453154
Energy: 1.522568214942818
Energy: 1.444278009814114
Energy: 1.5244022527593442
Energy: 1.4716336367228873
Energy: 1.5244022527575656
Energy: 1.4033433191939064
Energy: 1.399140866464804
Energy: 1.4574295891071363
Energy: 1.399140866461247
Energy: 1.4039220550752924
Energy: 1.4056987011193085
Energy: 1.7190093926178884
Energy: 1.4056987011201978
Energy: 1.39503270160261
Energy: 1.4631606609386523
Energy: 1.5886616385289405
Energy: 1.46316066094132
Energy: 1.4609509593263006
Energy: 1.5627674891760812
Energy: 1.5602145669637137
Energy: 1.5627674891778596
Energy: 1.3628890856247
Energy: 1.3930872624625261
Energy: 1.469363385125622
Energy: 1.3930872624660833
Energy: 1.3916068760718066
Energy: 1.3929215221762998
Energy: 1.4709051037041203
Energy: 1.392921522173632
Energy: 1.3619071839269956
Energy: 1.4556723483413505
Energy: 1.4622279161977287
Energy: 1.4556723483413505
Energy: 1.3938920379727417
Energy: 1.3934300708002039
Energy: 1.4588150514351788
Energy: 1.3934300708002039
Energy: 1.3919701477084077
Energy: 1.3915446826950362
Energy: 1.4707221006664029
Energy: 1.3915446826941467
Energy: 1.4556247909788125
Energy: 1.5617115370197463
Energy: 1.5628732864050812
Energy: 1.5617115370223735

minimum gb energy = 1.3341180205736372 eV
minimum distance =  2.19101163054599 Angstroms
sigma value = 53


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

Energy: 1.9193044942311066
Energy: 1.2794350128606278
Energy: 1.451664096307425
Energy: 1.4493414993863372
Energy: 1.6148699087223004
Energy: 1.3579687503460869
Energy: 1.446456611648461
Energy: 1.3579687503460869
Energy: 1.4491068833819352
Energy: 1.4485405696062807
Energy: 1.446573677328112
Energy: 1.4485405696062807
Energy: 1.4474794741381254
Energy: 1.358814362843492
Energy: 1.450647594187903
Energy: 1.3588143628414449
Energy: 1.4486134534256478
Energy: 1.357465470985313
Energy: 1.2585740011772077
Energy: 1.3574654709771241
Energy: 1.4909707848667817
Energy: 1.360128615856317
Energy: 1.2590104547581005
Energy: 1.3601286158583643
Energy: 1.61534679043929
Energy: 1.4471834849786815
Energy: 1.445744773213572
Energy: 1.447183484974587
Energy: 1.6145497830723796
Energy: 1.4522929853191602
Energy: 1.454980929486088
Energy: 1.4522929853191602
Energy: 1.4487619473901088
Energy: 1.4479183835833134
Energy: 1.448853444165051
Energy: 1.4479183835833134
Energy: 1.4485978987582062
Energy: 1.359829524481506
Energy: 1.446924662814963
Energy: 1.3598295244774115
Energy: 1.4473956506049506
Energy: 1.3614484341232076
Energy: 1.2798816617305588
Energy: 1.3614484341293491
Energy: 1.4486261888850993
Energy: 1.3575146428693305
Energy: 1.2612564041997598
Energy: 1.3575146428713778
Energy: 1.6155817687478624
Energy: 1.4513010771765116
Energy: 1.4537444991369792
Energy: 1.451301077172417

minimum gb energy = 1.2585740011772077 eV
minimum distance =  2.20508141388135 Angstroms
sigma value = 9


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

Energy: 1.8855363467806205
Energy: 1.5078099076600784
Energy: 1.5985034188809264
Energy: 1.5970836945476834
Energy: 1.3972882425396336
Energy: 1.3811997431234428
Energy: 1.6276939386549254
Energy: 1.3811997431219276
Energy: 1.3737930016223108
Energy: 1.3856216111237556
Energy: 1.595697451836321
Energy: 1.3856216111260289
Energy: 1.390527413024373
Energy: 1.383827816743404
Energy: 1.6940950139862594
Energy: 1.383827816743404
Energy: 1.3836295142442583
Energy: 1.381655919289647
Energy: 1.6905945654009176
Energy: 1.3816559192934352
Energy: 1.3851570063798821
Energy: 1.381878951021407
Energy: 1.6920942314084386
Energy: 1.3818789510229221
Energy: 1.699265827403863
Energy: 1.593993063286982
Energy: 1.6070359180146874
Energy: 1.593993063286982
Energy: 1.6930761653895472
Energy: 1.5981229235784349
Energy: 1.596747470832352
Energy: 1.5981229235822239
Energy: 1.430034417873129
Energy: 1.554783430816788
Energy: 1.4601400939097946
Energy: 1.554783430816788
Energy: 1.3956110103824955
Energy: 1.501440397257082
Energy: 1.6016698199022597
Energy: 1.5014403972548094
Energy: 1.4258976356731226
Energy: 1.4269902304225894
Energy: 1.492879025466945
Energy: 1.4269902304195585
Energy: 1.4285989560500967
Energy: 1.4462060134424752
Energy: 1.690710194767189
Energy: 1.4462060134439905
Energy: 1.6956261759651354
Energy: 1.4269299845720207
Energy: 1.4607090850303122
Energy: 1.426929984573536
Energy: 1.7003634566540973
Energy: 1.4288772002424632
Energy: 1.4314514457895902
Energy: 1.4288772002432206
Energy: 1.5834507833307216
Energy: 1.4619372789180833
Energy: 1.430038631941573
Energy: 1.4619372789211142
Energy: 1.5019018035298983
Energy: 1.5758441908187757
Energy: 1.4588934743373116
Energy: 1.5758441908165024
Energy: 1.5938100747868742
Energy: 1.5211661634913025
Energy: 1.4300494830024404
Energy: 1.5211661634882718
Energy: 1.5973806624607352
Energy: 1.5953218934407338
Energy: 1.6908281232660458
Energy: 1.5953218934369455
Energy: 1.6261146133846756
Energy: 1.381665853496439
Energy: 1.397949680913422
Energy: 1.3816658534949238
Energy: 1.7490291386964956
Energy: 1.3892518631105915
Energy: 1.3741305967417523
Energy: 1.3892518631083186
Energy: 1.6969309206933565
Energy: 1.3826796214148953
Energy: 1.3862926947301106
Energy: 1.3826796214080759
Energy: 1.6916571630111354
Energy: 1.3805574414957165
Energy: 1.3815016906853543
Energy: 1.3805574414987472
Energy: 1.6916746682969908
Energy: 1.3826866626979355
Energy: 1.3861133069745109
Energy: 1.3826866626949046
Energy: 1.605512405416438
Energy: 1.5934859739644103
Energy: 1.6956996699729898
Energy: 1.5934859739651681
Energy: 1.5954481267783551
Energy: 1.5953604492890943
Energy: 1.6966777348357496
Energy: 1.595360449289852
Energy: 1.458265272553279
Energy: 1.5095605788212079
Energy: 1.4283614395996953
Energy: 1.5095605788287847
Energy: 1.5941208820992987
Energy: 1.5086069356596543
Energy: 1.3948476814106936
Energy: 1.5086069357603613
Energy: 1.491248300927407
Energy: 1.427396125489952
Energy: 1.4266899273969191
Energy: 1.4273961254876788
Energy: 1.6900963145461887
Energy: 1.4324171386081626
Energy: 1.4285735848337977
Energy: 1.4324171386104358
Energy: 1.461477132710421
Energy: 1.4273540079040725
Energy: 1.693817954014673
Energy: 1.42735400790483
Energy: 1.4305796691469732
Energy: 1.429226529731926
Energy: 1.5961135179564228
Energy: 1.4292265297326836
Energy: 1.435235517332294
Energy: 1.4337786098006848
Energy: 1.5845247643712934
Energy: 1.4337786097991694
Energy: 1.4580136737295313
Energy: 1.5855694436338397
Energy: 1.4897849571107529
Energy: 1.585569443632324
Energy: 1.4279886871996823
Energy: 1.5224869082930663
Energy: 1.4966693505021642
Energy: 1.5224869082877626
Energy: 1.6915809561254234
Energy: 1.5933004958283703
Energy: 1.5969117460492508
Energy: 1.5933004958314012

minimum gb energy = 1.3737930016223108 eV
minimum distance =  2.19199265157869 Angstroms
sigma value = 73


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

Energy: 1.9951379325008607
Energy: 1.4576245467381888
Energy: 1.5460407538744376
Energy: 1.5459355924891862
Energy: 1.3797254459165957
Energy: 1.4064341112498526
Energy: 1.5634823533255444
Energy: 1.4064341112486507
Energy: 1.4001088485280222
Energy: 1.4036450622545784
Energy: 1.5859343680685538
Energy: 1.4036450622533765
Energy: 1.4113212927056373
Energy: 1.4106850642537965
Energy: 1.5516190771840257
Energy: 1.4106850642501898
Energy: 1.4153635512227203
Energy: 1.414748435660044
Energy: 1.663183007005629
Energy: 1.4147484356624482
Energy: 1.4385938579124649
Energy: 1.4140156094497525
Energy: 1.5856607758188435
Energy: 1.414015609452157
Energy: 1.53825762805137
Energy: 1.5829601619820979
Energy: 1.599559148340907
Energy: 1.5829601619845024
Energy: 1.4314579033308417
Energy: 1.5835999249832031
Energy: 1.5808414183172876
Energy: 1.5835999249856074
Energy: 1.406566857989414
Energy: 1.5444348454859185
Energy: 1.583357391102131
Energy: 1.5444348454691155
Energy: 1.4322941057680898
Energy: 1.612185421835053
Energy: 1.5893744773170901
Energy: 1.6121854218338512
Energy: 1.407489523460314
Energy: 1.3504725459190399
Energy: 1.4087195358095532
Energy: 1.3504725459190399
Energy: 1.4072222506769514
Energy: 1.354492647928457
Energy: 1.6594040380409072
Energy: 1.3544926479308614
Energy: 1.586503703325219
Energy: 1.3501970734163973
Energy: 1.4391328082591166
Energy: 1.350197073415195
Energy: 1.5876980911540823
Energy: 1.4415999018567274
Energy: 1.4397772154892896
Energy: 1.4415999018543229
Energy: 1.5812014559456455
Energy: 1.440825631505692
Energy: 1.4396396628271324
Energy: 1.440825631506894
Energy: 1.6631890585179903
Energy: 1.4418979810785362
Energy: 1.4406785317750421
Energy: 1.4418979810797383
Energy: 1.6170513505135085
Energy: 1.4539824557204022
Energy: 1.4397910914963887
Energy: 1.4539824557216041
Energy: 1.5562594769342555
Energy: 1.555858845567614
Energy: 1.5372175345976469
Energy: 1.5558588455712206
Energy: 1.5460632442847158
Energy: 1.5488954728520092
Energy: 1.433003989802578
Energy: 1.5488954728579931
Energy: 1.6228680264559814
Energy: 1.517863662011498
Energy: 1.5327866636178074
Energy: 1.5178636620175092
Energy: 1.5447021845131488
Energy: 1.4548059279920462
Energy: 1.432811958633013
Energy: 1.454805928040106
Energy: 1.665157819628306
Energy: 1.5328222461626
Energy: 1.5325268334536564
Energy: 1.5328222461601957

minimum gb energy = 1.350197073415195 eV
minimum distance =  2.2095181910288 Angstroms
sigma value = 7


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

Energy: 2.287021689447788
Energy: 1.4187395616647354
Energy: 1.5435846296573752
Energy: 1.5427855602729044
Energy: 1.3752717996217738
Energy: 1.590327525579954
Energy: 1.5442237453419487
Energy: 1.5903275255850542
Energy: 1.3889596657791143
Energy: 1.3908798049112518
Energy: 1.5172857818262442
Energy: 1.3908798049087017
Energy: 1.3938995337818412
Energy: 1.395368910101574
Energy: 1.4970649921860486
Energy: 1.395368910087973
Energy: 1.388629288600343
Energy: 1.3878560482860482
Energy: 1.6387634215546478
Energy: 1.3878560482843478
Energy: 1.4034215376111312
Energy: 1.387830955860532
Energy: 1.6456960629048782
Energy: 1.387830955862232
Energy: 1.5405704457785343
Energy: 1.3895913246567801
Energy: 1.3980866114995851
Energy: 1.3895913246627305
Energy: 1.542383046490196
Energy: 1.3878459706320465
Energy: 1.3866515389571301
Energy: 1.387845970644759
Energy: 1.6245506569209396
Energy: 1.4156695282293414
Energy: 1.413598670916523
Energy: 1.415669528223391
Energy: 1.6409251154959752
Energy: 1.3879362809509477
Energy: 1.3868528729674725
Energy: 1.3879362809441473
Energy: 1.541670059707936
Energy: 1.519201571038161
Energy: 1.4085942650006946
Energy: 1.5192015710330602
Energy: 1.5281069183804745
Energy: 1.5214094359423336
Energy: 1.5412174658586903
Energy: 1.521409435947434
Energy: 1.5220101590681923
Energy: 1.5076134912949715
Energy: 1.3897142454450109
Energy: 1.5076134912924215
Energy: 1.5225263638429667
Energy: 1.4912663040834149
Energy: 1.3985730265838676
Energy: 1.491266304081715
Energy: 1.3890830483564067
Energy: 1.508163993762268
Energy: 1.4011430756798597
Energy: 1.5081639937546174
Energy: 1.39470014770613
Energy: 1.5220694862984239
Energy: 1.5199782080554705
Energy: 1.5220694862780222
Energy: 1.3959772309915062
Energy: 1.5186843548803983
Energy: 1.5425440274090674
Energy: 1.5186843548795483
Energy: 1.3867561350577455
Energy: 1.3900602235180322
Energy: 1.5563725958059134
Energy: 1.3900602235180322
Energy: 1.4131640565088281
Energy: 1.4158950365420888
Energy: 1.5434735184279116
Energy: 1.415895036533588
Energy: 1.3867580936094681
Energy: 1.3887950498768062
Energy: 1.3968582374085725
Energy: 1.3887950498870067
Energy: 1.3987826687247016
Energy: 1.3895746772883841
Energy: 1.6386392259909743
Energy: 1.3895746772934843
Energy: 1.540639270863422
Energy: 1.3877536197871043
Energy: 1.402111495636414
Energy: 1.3877536197939049
Energy: 1.5402899946925772
Energy: 1.388360909288038
Energy: 1.388288547437855
Energy: 1.388360909309251
Energy: 1.6224149064935922
Energy: 1.3956962542768807
Energy: 1.3933387512109114
Energy: 1.3956962542879316
Energy: 1.6405459051185665
Energy: 1.39103042500586
Energy: 1.3893309656503756
Energy: 1.3910304250101104
Energy: 1.6393307495886293
Energy: 1.5908375210576728
Energy: 1.3892208300550242
Energy: 1.590837521056823
Energy: 1.5439248590114871
Energy: 1.5432223286592326
Energy: 2.003295617737736
Energy: 1.5432223286711333
Energy: 1.5174969169820032
Energy: 1.520466550295852
Energy: 1.3890210662831137
Energy: 1.520466550292452
Energy: 1.521506232377535
Energy: 1.5058611534987696
Energy: 1.5237061287768934
Energy: 1.50586115350302
Energy: 1.5172813448700795
Energy: 1.5257351570821864
Energy: 1.398081839063773
Energy: 1.5257351570881368
Energy: 1.3945446704936684
Energy: 1.519037284303354
Energy: 1.5208299378791943
Energy: 1.5190372843016537

minimum gb energy = 1.3752717996217738 eV
minimum distance =  2.21178225999247 Angstroms
sigma value = 29


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

Energy: 1.3176869276995453
Energy: 1.312804068975245
Energy: 1.3780414107205459
Energy: 1.5006046969552491
Energy: 1.2874033778109708
Energy: 1.3971441791179693
Energy: 1.3047115002027145
Energy: 1.397144179117114
Energy: 1.2962156661556103
Energy: 1.399302015251453
Energy: 1.290113629486454
Energy: 1.3993020152531637
Energy: 1.2846535377437378
Energy: 1.2971119655528098
Energy: 1.2944520477111496
Energy: 1.297111965550178
Energy: 1.2936356935109283
Energy: 1.2972481409115668
Energy: 1.2862651115690897
Energy: 1.2972481409098557
Energy: 1.2929536062215312
Energy: 1.3965619185571618
Energy: 1.2860079390422843
Energy: 1.3965619185560103
Energy: 1.2888823480117795
Energy: 1.3996933590549456
Energy: 1.2952723181879084
Energy: 1.3996933590546494
Energy: 1.2990724195516856
Energy: 1.3048273030802373
Energy: 1.2851703189600774
Energy: 1.3048273030808295
Energy: 1.287885603850593
Energy: 1.3119405152569388
Energy: 1.3018108455348596
Energy: 1.3119405152569388

minimum gb energy = 1.2846535377437378 eV
minimum distance =  2.18775354260109 Angstroms
sigma value = 5


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

Energy: 1.7986668212444874
Energy: 1.2728479327891347
Energy: 1.4714932916965062
Energy: 1.4700605865774918
Energy: 1.3694927825819543
Energy: 1.3215626315070659
Energy: 1.4710464938077523
Energy: 1.3215626315102778
Energy: 1.46637668124116
Energy: 1.4458446560847218
Energy: 1.4694378840336941
Energy: 1.4458446560871308
Energy: 1.3691625404207795
Energy: 1.3205596390900218
Energy: 1.4623941818398019
Energy: 1.320559639084401
Energy: 1.462583171143923
Energy: 1.3205835781188162
Energy: 1.4654251887215086
Energy: 1.320583578122028
Energy: 1.3211085453035636
Energy: 1.3205750925085735
Energy: 1.4667022418540072
Energy: 1.3205750925101793
Energy: 1.3224291797770253
Energy: 1.3232419546089287
Energy: 1.4617380607368955
Energy: 1.3232419546097318
Energy: 1.325622535058984
Energy: 1.3226589239594781
Energy: 1.5517751272078246
Energy: 1.3226589239626902
Energy: 1.4523864747662112
Energy: 1.3495926915712624
Energy: 1.5559156555439624
Energy: 1.3495926915657144
Energy: 1.4771626820089263
Energy: 1.275052067020506
Energy: 1.2754718787860704
Energy: 1.275052067019703
Energy: 1.4498035224682724
Energy: 1.2731099725446622
Energy: 1.274258005729317
Energy: 1.2731099725446622
Energy: 1.5488509421052004
Energy: 1.2707992949795923
Energy: 1.2705185043067044
Energy: 1.2707992949828042
Energy: 1.5496158929255197
Energy: 1.2715352271188036
Energy: 1.2732065708913896
Energy: 1.2715352271180005
Energy: 1.3756706873366866
Energy: 1.3438208919307146
Energy: 1.4698608103254553
Energy: 1.3438208919307146
Energy: 1.3207672998408797
Energy: 1.3214916028593895
Energy: 1.4676865377199413
Energy: 1.3214916028626011
Energy: 1.3224797284702736
Energy: 1.3208149431048564
Energy: 1.4629871352901245
Energy: 1.3208149431024472
Energy: 1.3265563133525349
Energy: 1.3249482895245355
Energy: 1.3688604424028687
Energy: 1.3249482895253386
Energy: 1.4687373257021625
Energy: 1.323215390685547
Energy: 1.3721737009607522
Energy: 1.323215390683941
Energy: 1.4696435386339635
Energy: 1.4483027553058514
Energy: 1.4657962844581462
Energy: 1.4483027553074572
Energy: 1.4611856535275793
Energy: 1.3219922259967603
Energy: 1.370296276268181
Energy: 1.3219922260007755
Energy: 1.4658807529020628
Energy: 1.321154942435969
Energy: 1.4624033960148106
Energy: 1.321154942435969
Energy: 1.466543521806005
Energy: 1.321180620617864
Energy: 1.322900089565898
Energy: 1.3211806206186671
Energy: 1.4626977432169657
Energy: 1.3218230728898703
Energy: 1.3212104653030996
Energy: 1.3218230728914762
Energy: 1.5525318782267516
Energy: 1.3221018037322543
Energy: 1.322671310818932
Energy: 1.3221018037346632
Energy: 1.5615839730955205
Energy: 1.347254709989922
Energy: 1.4492996580945612
Energy: 1.3472547099891188
Energy: 1.2718246687800736
Energy: 1.2741142644216303
Energy: 1.4764490483702706
Energy: 1.2741142644232364
Energy: 1.2750960631224764
Energy: 1.276976881611443
Energy: 1.4515336052934644
Energy: 1.2769768816058222
Energy: 1.2723062696503333
Energy: 1.27234638576707
Energy: 1.3791737415916077
Energy: 1.272346385769479
Energy: 1.2705422011784944
Energy: 1.2743157036559103
Energy: 1.5493848984618768
Energy: 1.2743157036535016
Energy: 1.4679019770757524
Energy: 1.3435404052677697
Energy: 1.3761367625259675
Energy: 1.3435404052645579
Energy: 1.473833285799336
Energy: 1.321019106868306
Energy: 1.3209699507875596
Energy: 1.3210191068675032
Energy: 1.462772475156259
Energy: 1.3210422198825338
Energy: 1.3207478442600327
Energy: 1.321042219883337
Energy: 1.3683368227499708
Energy: 1.3240555205490325
Energy: 1.3255838178914863
Energy: 1.3240555205474265

minimum gb energy = 1.2705185043067044 eV
minimum distance =  2.1760611145758 Angstroms
sigma value = 1


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

Energy: 1.896026836331105
Energy: 1.2051505074187197
Energy: 1.4330460238636997
Energy: 1.2599992162745326
Energy: 1.3144995967617912
Energy: 1.2616487951508741
Energy: 1.4689193961287155
Energy: 1.2616487951475435
Energy: 1.4668214546873526
Energy: 1.4177650847965457
Energy: 1.4676483432678127
Energy: 1.417765084794325
Energy: 1.3107788645018337
Energy: 1.2607183955569743
Energy: 1.4599226861007324
Energy: 1.2607183955547536
Energy: 1.2657179115690915
Energy: 1.2594689443389764
Energy: 1.4633628272064694
Energy: 1.2594689443389764
Energy: 1.2593679811378369
Energy: 1.2611777418634869
Energy: 1.4631558971584173
Energy: 1.261177741867928
Energy: 1.2566310254246678
Energy: 1.2581806627253047
Energy: 1.4598782049946417
Energy: 1.258180662726415
Energy: 1.2663775841881277
Energy: 1.2633028319069737
Energy: 1.6117173358778223
Energy: 1.2633028319103043
Energy: 1.4607716181523906
Energy: 1.3078694136569915
Energy: 1.5972266618896995
Energy: 1.3078694136614326
Energy: 1.4628974449272265
Energy: 1.2658057966118552
Energy: 1.262134856150471
Energy: 1.2658057966151859
Energy: 1.4604798209258616
Energy: 1.2573767857062617
Energy: 1.2560744571127365
Energy: 1.2573767857040414
Energy: 1.5944890429951581
Energy: 1.2619856286104911
Energy: 1.259359023898544
Energy: 1.2619856286138218
Energy: 1.596159596851751
Energy: 1.2582692854500046
Energy: 1.2631100309895054
Energy: 1.2582692854488944
Energy: 1.4604126321411655
Energy: 1.2600216062092477
Energy: 1.4689565438754788
Energy: 1.2600216062092477
Energy: 1.3137045145682815
Energy: 1.416756304651127
Energy: 1.467866720364192
Energy: 1.4167563046522371
Energy: 1.3184530811016104
Energy: 1.2610086537755218
Energy: 1.4635091989435651
Energy: 1.2610086537721912
Energy: 1.263393568138772
Energy: 1.2594053770324634
Energy: 1.4665456551362397
Energy: 1.2594053770369042
Energy: 1.2652923295479732
Energy: 1.2634245619531173
Energy: 1.4560724691193712
Energy: 1.263424561956448
Energy: 1.256597251637441
Energy: 1.258599199958372
Energy: 1.5972025758368187
Energy: 1.2585991999617028
Energy: 1.2611585939743308
Energy: 1.2621776023309195
Energy: 1.5992984495069025
Energy: 1.2621776023331401
Energy: 1.4647357929453724
Energy: 1.307152575355658
Energy: 1.4604331454026107
Energy: 1.3071525753534377
Energy: 1.4661814457370017
Energy: 1.2609572499638275
Energy: 1.2627732189062864
Energy: 1.2609572499649377
Energy: 1.5872399952721532
Energy: 1.2593717461403715
Energy: 1.2585883281582364
Energy: 1.2593717461414815
Energy: 1.5954214263196875
Energy: 1.2586285682747955
Energy: 1.2583308289576578
Energy: 1.2586285682747955

minimum gb energy = 1.2051505074187197 eV
minimum distance =  2.17914907735931 Angstroms
sigma value = 17


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

Energy: 2.022463866608382
Energy: 1.2177423907932
Energy: 1.4538348156245697
Energy: 1.2561879899008512
Energy: 1.2922879017374882
Energy: 1.2592835342070217
Energy: 1.3981970470641667
Energy: 1.2592835342056492
Energy: 1.4839857977776116
Energy: 1.252236679589222
Energy: 1.4128481577202407
Energy: 1.2522366795851045
Energy: 1.4780542295382542
Energy: 1.3245531538660946
Energy: 1.384105782846487
Energy: 1.3245531538763882
Energy: 1.3491518276880674
Energy: 1.219538990722696
Energy: 1.5857168429171375
Energy: 1.2195389907192646
Energy: 1.2197338356406406
Energy: 1.218833204523186
Energy: 1.5770074252490707
Energy: 1.2188332045266173
Energy: 1.218568695937795
Energy: 1.2178833363992094
Energy: 1.2892608226986269
Energy: 1.217883336401268
Energy: 1.2207650811401605
Energy: 1.2199140698338156
Energy: 1.6611746635458378
Energy: 1.219914069834502
Energy: 1.5729417481755712
Energy: 1.2183525192881532
Energy: 1.4796092471119482
Energy: 1.2183525192950155
Energy: 1.3968113437593113
Energy: 1.3278874728044536
Energy: 1.3881872556911508
Energy: 1.3278874728024572
Energy: 1.569589822569524
Energy: 1.2509156072176129
Energy: 1.2822667699250356
Energy: 1.2509156072402587
Energy: 1.5781470509172735
Energy: 1.2576288078732991
Energy: 1.3854237290218645
Energy: 1.2576288078746714
Energy: 1.567583700426359
Energy: 1.2515638490631336
Energy: 1.2505122232020067
Energy: 1.2515638490679373
Energy: 1.4398141129834154
Energy: 1.2528296171274718
Energy: 1.2559663052664427
Energy: 1.252829617130217
Energy: 1.4927887656261332
Energy: 1.2587360142765491
Energy: 1.2624668447147067
Energy: 1.2587360142772357
Energy: 1.5863758186839654
Energy: 1.2547855594274941
Energy: 1.2521820936032004
Energy: 1.2547855594233768
Energy: 1.2552759335463992
Energy: 1.2609241426788464
Energy: 1.5686799511691716
Energy: 1.2609241426884539
Energy: 1.2519467058294564
Energy: 1.251344312017985
Energy: 1.5729872006503074
Energy: 1.251344312017299
Energy: 1.2621536325785983
Energy: 1.2603895466663935
Energy: 1.477307046205367
Energy: 1.2603895466657076
Energy: 1.2547769522562346
Energy: 1.3844460277200477
Energy: 1.6598595260928517
Energy: 1.3844460277118753
Energy: 1.3966025068911232
Energy: 1.2575861033495874
Energy: 1.25595897517613
Energy: 1.2575861033530187
Energy: 1.3974500921650295
Energy: 1.2538314019882166
Energy: 1.4873843295542035
Energy: 1.2538314019889027
Energy: 1.3854577238804189
Energy: 1.32345516815678
Energy: 1.4937338713524826
Energy: 1.32345516815678
Energy: 1.5717459328252146
Energy: 1.2193435521862668
Energy: 1.3504752658757495
Energy: 1.219343552180777
Energy: 1.578398569978157
Energy: 1.21851501160942
Energy: 1.2196610667443135
Energy: 1.2185150116080476
Energy: 1.3868802281755728
Energy: 1.2184363163298109
Energy: 1.2182024152979178
Energy: 1.2184363163298109
Energy: 1.657993914446771
Energy: 1.2203335032599743
Energy: 1.2209183966208321
Energy: 1.2203335032640916
Energy: 1.4773723278652386
Energy: 1.2192559179226994
Energy: 1.577413975748468
Energy: 1.2192559179192681
Energy: 1.3976612397944155
Energy: 1.325804567966466
Energy: 1.3949392985028277
Energy: 1.3258045679719557
Energy: 1.2846669965861157
Energy: 1.2510054645216602
Energy: 1.5696375112449659
Energy: 1.251005464523033
Energy: 1.3848760671560574
Energy: 1.2524754643697058
Energy: 1.5836897948972997
Energy: 1.252475464366961
Energy: 1.2519033908519563
Energy: 1.2522278545437475
Energy: 1.5679281996226817
Energy: 1.2522278545444336
Energy: 1.2527760503586343
Energy: 1.2507456730274311
Energy: 1.439791992986565
Energy: 1.2507456730239999
Energy: 1.2661966802140954
Energy: 1.260304924157754
Energy: 1.4761279014823225
Energy: 1.260304924157754
Energy: 1.6493232430708489
Energy: 1.2816240594346888
Energy: 1.668433737929158
Energy: 1.2816240594305714
Energy: 1.6496601505635298
Energy: 1.2610604699723997
Energy: 1.2577114193619987
Energy: 1.261060469976517
Energy: 1.5697981491555535
Energy: 1.2499425739391978
Energy: 1.2500891990758634
Energy: 1.2499425739398842
Energy: 1.48036264339923
Energy: 1.2615434040490738
Energy: 1.2579664444997964
Energy: 1.26154340404976

minimum gb energy = 1.2177423907932 eV
minimum distance =  2.19177077579936 Angstroms
sigma value = 89


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

Energy: 2.111569915379742
Energy: 1.1389747195025521
Energy: 1.3788645086288671
Energy: 1.145411543066429
Energy: 1.1458772595427889
Energy: 1.270443740037438
Energy: 1.1538878335329876
Energy: 1.270443740037438
Energy: 1.1517195191914027
Energy: 1.2681700328757284
Energy: 1.1465274582294767
Energy: 1.2681700328757284
Energy: 1.140887153658584
Energy: 1.266198314849821
Energy: 1.146470622039668
Energy: 1.2661983148480251
Energy: 1.1452377617996974
Energy: 1.1511439033335196
Energy: 1.1687896972629694
Energy: 1.151143903335315
Energy: 1.1524124757876393
Energy: 1.1470678512194448
Energy: 1.1685094137070269
Energy: 1.1470678512176489
Energy: 1.1504389989088717
Energy: 1.1444198153052076
Energy: 1.1477065414570584
Energy: 1.1444198153321408
Energy: 1.149604606633954
Energy: 1.1540347422962625
Energy: 1.1449854137316768
Energy: 1.1540347422926713
Energy: 1.148242428027883
Energy: 1.1449695693285629
Energy: 1.1488702825143484
Energy: 1.1449695693267672
Energy: 1.1496282351181693
Energy: 1.254029513878003
Energy: 1.1504058824728445
Energy: 1.254029513878003
Energy: 1.1481334435709256
Energy: 1.2511123043297545
Energy: 1.1351936500510549
Energy: 1.25111230433155
Energy: 1.1421821969159005
Energy: 1.144746953919856
Energy: 1.1484009088272737
Energy: 1.144746953919856
Energy: 1.1692241576436624
Energy: 1.1535423971148318
Energy: 1.1512306139484596
Energy: 1.1535423971148318
Energy: 1.1471835634449161
Energy: 1.1430571970963368
Energy: 1.147001265525484
Energy: 1.1430571970963368
Energy: 1.1514942419761771
Energy: 1.1512998434908646
Energy: 1.1523392988005223
Energy: 1.1512998434908646

minimum gb energy = 1.1351936500510549 eV
minimum distance =  2.19924364881805 Angstroms
sigma value = 13


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

Energy: 1.8567190029373408
Energy: 1.0915622180319613
Energy: 1.3820957792775195
Energy: 1.1053519108307917
Energy: 1.6139498709810813
Energy: 1.1023956364191352
Energy: 1.2460764976714989
Energy: 1.1023956364259084
Energy: 1.6181760638522324
Energy: 1.0995608035871134
Energy: 1.2576695534927707
Energy: 1.0995608035810926
Energy: 1.404863963926275
Energy: 1.0990572375530379
Energy: 1.241968172417098
Energy: 1.0990572375537906
Energy: 1.4450751253445586
Energy: 1.1019514970304471
Energy: 1.4964862569005275
Energy: 1.1019514970274369
Energy: 1.248523871729571
Energy: 1.1017618997998744
Energy: 1.4956512545421123
Energy: 1.1017618998021321
Energy: 1.25720982599475
Energy: 1.0999014976072437
Energy: 1.438691595703865
Energy: 1.09990149762079
Energy: 1.2432808495243084
Energy: 1.099584065104983
Energy: 1.4940971274945165
Energy: 1.0995840650944468
Energy: 1.0984896408251283
Energy: 1.0999050895749924
Energy: 1.4986782643526002
Energy: 1.0999050895960645
Energy: 1.0994684599599838
Energy: 1.0976882122242626
Energy: 1.5020625453422831
Energy: 1.0976882122016856
Energy: 1.1008402233622336
Energy: 1.1005164033332835
Energy: 1.8572903858226522
Energy: 1.100516403332531
Energy: 1.4940810838277325
Energy: 1.1650333653115241
Energy: 1.5070592834503937
Energy: 1.1650333653070089
Energy: 1.4998279873317177
Energy: 1.1619069588717865
Energy: 1.4907790537470127
Energy: 1.1619069588589928
Energy: 1.4979131252197355
Energy: 1.1621562618770545
Energy: 1.4017026940586128
Energy: 1.1621562618800645
Energy: 1.4969586956348477
Energy: 1.1031622883445462
Energy: 1.2440529502910793
Energy: 1.1031622883415362
Energy: 1.4949312758604807
Energy: 1.1018079631933937
Energy: 1.1139811142986733
Energy: 1.1018079631843627
Energy: 1.4922448927720444
Energy: 1.1002317089826774
Energy: 1.1102599210585478
Energy: 1.1002317089932137
Energy: 1.6144431066509535
Energy: 1.0999278828217607
Energy: 1.103676393141151
Energy: 1.099927882829218
Energy: 1.359607889387128
Energy: 1.0994543717853946
Energy: 1.2336703256895634
Energy: 1.0994543717831369
Energy: 1.5015766094867193
Energy: 1.0988459795825336
Energy: 1.2604119300826997
Energy: 1.0988459795802759
Energy: 1.4432234059986002
Energy: 1.0993310929867248
Energy: 1.2359928636286426
Energy: 1.099331092984467
Energy: 1.4977480771881477
Energy: 1.0996490724985284
Energy: 1.4932180854754895
Energy: 1.0996490724925079
Energy: 1.2363159628398914
Energy: 1.1040404762071296
Energy: 1.5013981041947453
Energy: 1.1040404761988512
Energy: 1.1078728957959696
Energy: 1.0984034617403067
Energy: 1.2379022788694363
Energy: 1.098403461732781
Energy: 1.2386864661594488
Energy: 1.0983335831078476
Energy: 1.4941610744654723
Energy: 1.0983335831116103
Energy: 1.0989820135031962
Energy: 1.0995974042151524
Energy: 1.4951099390040512
Energy: 1.0995974042053691
Energy: 1.0984415065418405
Energy: 1.0979126415500764
Energy: 1.4466052770685929
Energy: 1.0979126415538392
Energy: 1.0982130336768714
Energy: 1.1005397066929914
Energy: 1.6429865646517987
Energy: 1.1005397066982596
Energy: 1.4896787979077684
Energy: 1.099397034871845
Energy: 1.3595186147676779
Energy: 1.0993970348643192
Energy: 1.2600175650285397
Energy: 1.1610701608857041
Energy: 1.4888045789643287
Energy: 1.1610701608902196
Energy: 1.4910779865825299
Energy: 1.1634815516071109
Energy: 1.4453674872262317
Energy: 1.1634815516010903
Energy: 1.49594204277034
Energy: 1.1012735819588146
Energy: 1.491386218444883
Energy: 1.1012735819678454
Energy: 1.4942031378720024
Energy: 1.1105562725777385
Energy: 1.0989409152778151
Energy: 1.1105562725754807
Energy: 1.4406215651466339
Energy: 1.0982051683832017
Energy: 1.1000899303081169
Energy: 1.0982051683786864
Energy: 1.3592444658508316
Energy: 1.0989908089879563
Energy: 1.101644044646167
Energy: 1.098990808983441

minimum gb energy = 1.0915622180319613 eV
minimum distance =  2.19462375459288 Angstroms
sigma value = 37


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

Energy: 1.5944620981693052
Energy: 1.0122056674916724
Energy: 1.3168940596737655
Energy: 1.0103208289725203
Energy: 1.474054431263238
Energy: 1.0099717002340574
Energy: 1.2423202183727617
Energy: 1.0099717002340574
Energy: 1.472797361847148
Energy: 1.0089226930642248
Energy: 1.2527834919616956
Energy: 1.008922693061635
Energy: 1.4743446203335369
Energy: 1.1249493452543777
Energy: 1.2415827231670409
Energy: 1.124949345256938
Energy: 1.4980727709276538
Energy: 1.1420085423666593
Energy: 1.2458701119641924
Energy: 1.1420085423653645
Energy: 1.2550516404618184
Energy: 1.0084120300145776
Energy: 1.2599659265460408
Energy: 1.0084120300106931
Energy: 1.0029629908698636
Energy: 1.0070455217367955
Energy: 1.4982583721241822
Energy: 1.0070455217380903
Energy: 1.0263957461586386
Energy: 1.0090969720771705
Energy: 1.494089252908184
Energy: 1.0090969720784655
Energy: 1.0081195225359187
Energy: 1.0088372986787424
Energy: 1.4935240889099137
Energy: 1.0088372986787424
Energy: 1.0066370987379685
Energy: 1.0115568330619247
Energy: 1.4971759486742477
Energy: 1.01155683306063
Energy: 1.3168940596595524
Energy: 1.0103208302563516
Energy: 1.5944620981706
Energy: 1.0122056674916724
Energy: 1.2423202183740565
Energy: 1.0099717002314677
Energy: 1.4740544312645332
Energy: 1.0099717002327626
Energy: 1.2527834919616956
Energy: 1.0089226930590456
Energy: 1.4727973618484427
Energy: 1.0089226930590456
Energy: 1.2415827231696304
Energy: 1.124949345256938
Energy: 1.4743446203374213
Energy: 1.1249493452556432
Energy: 1.2458701119628977
Energy: 1.1420085423640693
Energy: 1.4980727709367174
Energy: 1.1420085423653645
Energy: 1.2599659265525145
Energy: 1.0084120299990404
Energy: 1.255051640457934
Energy: 1.0084120300132828
Energy: 1.498258372121593
Energy: 1.007045521739385
Energy: 1.0029629908698636
Energy: 1.0070455217380903
Energy: 1.494089252930195
Energy: 1.0090969720784655
Energy: 1.0263957461625228
Energy: 1.0090969720784655
Energy: 1.4935240889125037
Energy: 1.008837298681332
Energy: 1.0081195225359187
Energy: 1.008837298681332
Energy: 1.4971759486742477
Energy: 1.0115568330619247
Energy: 1.0066370987353788
Energy: 1.0115568330645144

minimum gb energy = 1.0029629908698636 eV
minimum distance =  2.20199706712254 Angstroms
sigma value = 25


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

Energy: 1.971169605077439
Energy: 0.9209152433913081
Energy: 1.2623581984195982
Energy: 0.9076677260464393
Energy: 1.6250613813605472
Energy: 0.9079387599800519
Energy: 1.0996050003637325
Energy: 0.907938759981063
Energy: 1.6297877193506318
Energy: 0.9068076419181279
Energy: 1.1120098796968272
Energy: 0.9068076419221721
Energy: 1.3021470222025557
Energy: 0.9079155085314012
Energy: 1.3254355882756574
Energy: 0.907915508527357
Energy: 1.633641641194644
Energy: 1.0069770681412458
Energy: 1.4735041379546083
Energy: 1.0069770681452899
Energy: 1.2931607390756792
Energy: 1.0055480723493766
Energy: 1.4640392948140901
Energy: 1.0055480723493766
Energy: 1.2940509555545727
Energy: 1.0075274731679535
Energy: 1.464447969597086
Energy: 1.0075274731689647
Energy: 1.324897730039288
Energy: 0.9083082894012355
Energy: 1.4653343044741107
Energy: 0.9083082893982023
Energy: 1.1130137600190584
Energy: 0.9068970329904729
Energy: 1.6312109665526344
Energy: 0.9068970329914839
Energy: 1.1015058230472783
Energy: 0.9079336707153721
Energy: 1.6327629617713653
Energy: 0.9079336707123391
Energy: 0.9090934452737544
Energy: 0.9081003630107968
Energy: 1.653757306573437
Energy: 0.9081003630097858
Energy: 0.9066060878669567
Energy: 0.9078418670964646
Energy: 1.634058259822502
Energy: 0.9078418670944426
Energy: 0.9101207439133513
Energy: 0.9069989473910108
Energy: 1.6251324010642434
Energy: 0.9069989473910108
Energy: 1.0998821545669792
Energy: 0.9104864929905566
Energy: 1.6242658573357285
Energy: 0.9104864929895455
Energy: 1.1128742330563461
Energy: 0.9061851645882665
Energy: 1.6337540294328141
Energy: 0.9061851645842224
Energy: 1.1004190742170727
Energy: 0.9084183521098399
Energy: 1.6247852924984458
Energy: 0.908418352108829
Energy: 1.468563182900025
Energy: 0.9064014443148324
Energy: 1.625123202205202
Energy: 0.9064014443148324
Energy: 1.104286753081984
Energy: 1.0067886370897465
Energy: 1.4649760098235067
Energy: 1.0067886371130008
Energy: 1.46226218776965
Energy: 1.0067672515889052
Energy: 1.2938879043460505
Energy: 1.0067672515899166
Energy: 1.6365786692429365
Energy: 1.0066776831830455
Energy: 1.2916892594197236
Energy: 1.0066776831830455
Energy: 1.475679707504053
Energy: 0.9102785968100687
Energy: 1.10270637086981
Energy: 0.9102785968100687
Energy: 1.6357139834638006
Energy: 0.9059461304264699
Energy: 0.9080830632649576
Energy: 0.9059461304264699
Energy: 1.6299608803723349
Energy: 0.9060775335973741
Energy: 1.10049560967401
Energy: 0.9060775335983852
Energy: 1.4820234100665988
Energy: 0.9107623047675822
Energy: 0.9065997615000286
Energy: 0.9107623047675822
Energy: 1.6339676790492779
Energy: 0.9059049365948917
Energy: 0.9073786463613464
Energy: 0.9059049365948917
Energy: 1.6241221438333422
Energy: 0.9093049266740554
Energy: 0.9072745693131514
Energy: 0.9093049266740554

minimum gb energy = 0.9059049365948917 eV
minimum distance =  2.20727979059686 Angstroms
sigma value = 41


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

Energy: 1.7689125260890095
Energy: 0.8463057805861449
Energy: 1.2110512909809126
Energy: 0.832545737636094
Energy: 1.7415970435720949
Energy: 0.8294193784275463
Energy: 0.9911303326267047
Energy: 0.8294193784242307
Energy: 1.728090245764039
Energy: 0.8275398789489311
Energy: 0.9994527971468904
Energy: 0.8275398789497599
Energy: 1.448725176471275
Energy: 0.8301889143656166
Energy: 1.3057882517474815
Energy: 0.8301889143672744
Energy: 1.7290722964489431
Energy: 0.8258665685305867
Energy: 1.3104231578875003
Energy: 0.8258665685181533
Energy: 1.4509799174648732
Energy: 0.8289085530590709
Energy: 1.3069021614440934
Energy: 0.8289085530623864
Energy: 1.457560486368705
Energy: 0.9113788018114893
Energy: 1.5891802267161963
Energy: 0.9113788018048583
Energy: 1.4619208658315574
Energy: 0.915066469961765
Energy: 1.3207265786265063
Energy: 0.9150664699518183
Energy: 1.1529479422954088
Energy: 0.8280967433595606
Energy: 1.5902819892819466
Energy: 0.8280967433537584
Energy: 1.1545717023753006
Energy: 0.8263965114556816
Energy: 1.7330369300756305
Energy: 0.8263965114598261
Energy: 1.0114780354658257
Energy: 0.8285649218669394
Energy: 1.5875110216271737
Energy: 0.8285649218578216
Energy: 0.9982337446692439
Energy: 0.8261433264464481
Energy: 1.7323859388585656
Energy: 0.8261433264456192
Energy: 0.992806908892909
Energy: 0.8268970797113232
Energy: 1.5900692335829874
Energy: 0.8268970797096652
Energy: 0.8285960999889724
Energy: 0.8318756770106814
Energy: 1.588216354076329
Energy: 0.8318756769999057
Energy: 0.8299830870616267
Energy: 0.8277351017057087
Energy: 1.7285394232342364
Energy: 0.8277351017065375
Energy: 0.8289799506206169
Energy: 0.8295724569650421
Energy: 1.731785461050286
Energy: 0.8295724569666998
Energy: 0.9963815125562852
Energy: 0.8282383056344075
Energy: 1.7203158034660921
Energy: 0.8282383056286052
Energy: 0.9954176135385897
Energy: 0.8263884605108842
Energy: 1.7271532962057097
Energy: 0.8263884605100553
Energy: 0.9966976366662177
Energy: 0.8281101839844407
Energy: 1.45728394145804
Energy: 0.8281101839919007
Energy: 1.3080917632538398
Energy: 0.8293002335186582
Energy: 1.4524182246625443
Energy: 0.8293002335211448
Energy: 1.3198134111387432
Energy: 0.8265351804189769
Energy: 1.5895826915294482
Energy: 0.8265351804189769
Energy: 1.313652566277133
Energy: 0.9088155662858427
Energy: 1.4490142835369972
Energy: 0.9088155662800406
Energy: 1.590596033757633
Energy: 0.9079801278170422
Energy: 1.4487068211755756
Energy: 0.9079801278278178
Energy: 1.3147961342382148
Energy: 0.9108454893058832
Energy: 1.3103799961413327
Energy: 0.9108454893191456
Energy: 1.5911693782895149
Energy: 0.8264250212398737
Energy: 1.1640986533270514
Energy: 0.8264250212398737
Energy: 1.59183536487005
Energy: 0.8284383794878901
Energy: 1.306875628235238
Energy: 0.8284383794845745
Energy: 1.587959247899852
Energy: 0.8284201776103407
Energy: 1.002418069084256
Energy: 0.8284201776136564
Energy: 1.7261089987040625
Energy: 0.8262129471669163
Energy: 1.0025687200484799
Energy: 0.826212947168574
Energy: 1.597785628811927
Energy: 0.8275287586616786
Energy: 0.9908599807122945
Energy: 0.8275287586600208
Energy: 1.5923940059763237
Energy: 0.8320623825342206
Energy: 0.8309486484657439
Energy: 0.8320623825358785
Energy: 1.7272734206741727
Energy: 0.8275007966194942
Energy: 0.827670642355906
Energy: 0.8275007966203232
Energy: 1.7203281371029255
Energy: 0.8284250480423418
Energy: 0.8297491161525679
Energy: 0.8284250480439995

minimum gb energy = 0.8258665685181533 eV
minimum distance =  2.20601473176036 Angstroms
sigma value = 15


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

Energy: 1.8871165184710463
Energy: 0.786635944664099
Energy: 1.1685589271335142
Energy: 0.7680561961622421
Energy: 1.554044332203527
Energy: 0.7663614779817703
Energy: 0.9048322930709198
Energy: 0.7663614779796637
Energy: 1.7976562773301612
Energy: 0.7651522596508854
Energy: 0.9132655967800817
Energy: 0.765152259652992
Energy: 1.5525786029859185
Energy: 0.7682265921076101
Energy: 1.1790875234713087
Energy: 0.7682265921223562
Energy: 1.5634761256148428
Energy: 0.762229290194306
Energy: 1.1807818039115676
Energy: 0.7622292901971146
Energy: 1.5571514830766813
Energy: 0.7636750955746845
Energy: 1.1793216830386593
Energy: 0.7636750955753868
Energy: 1.3112415437262321
Energy: 0.7652094028481056
Energy: 1.4370466094549288
Energy: 0.7652094028761933
Energy: 1.4404902972540088
Energy: 0.8358313075491447
Energy: 1.1856904355404636
Energy: 0.8358313074066636
Energy: 1.3079462815884866
Energy: 0.8332987298360739
Energy: 1.4298465659682398
Energy: 0.8332987298430958
Energy: 1.3062444459742715
Energy: 1.0285409506063385
Energy: 1.6726889650194527
Energy: 1.02854095060353
Energy: 1.1959012089677115
Energy: 0.7674257379370858
Energy: 1.430841572532645
Energy: 0.7674257379335748
Energy: 1.0433242659141015
Energy: 0.7621921318020052
Energy: 1.6723425442193032
Energy: 0.7621921318055161
Energy: 1.1789521072343283
Energy: 0.7635447583099075
Energy: 1.6758912966043764
Energy: 0.7635447583127163
Energy: 0.9357105538098036
Energy: 0.7684267776534967
Energy: 1.44216937030432
Energy: 0.7684267776499858
Energy: 0.911151569047713
Energy: 0.762925476687609
Energy: 1.7954221459970787
Energy: 0.7629254766812892
Energy: 0.9240240702529654
Energy: 0.768366393511749
Energy: 1.680685529124447
Energy: 0.768366393512451
Energy: 0.7743183907795204
Energy: 0.766568851886427
Energy: 1.6857670977777668
Energy: 0.7665688518843203
Energy: 0.7639413868668803
Energy: 0.7638537068727398
Energy: 1.7935136891914116
Energy: 0.7638537068727398
Energy: 0.7723463948328099
Energy: 0.765090532794777
Energy: 1.5622373757997567
Energy: 0.765090532794777
Energy: 0.9160702388833698
Energy: 0.7686041354271886
Energy: 1.8035984805541054
Energy: 0.7686041354236777
Energy: 0.905531887659355
Energy: 0.7633310108395832
Energy: 1.7939926356949742
Energy: 0.7633310108367742
Energy: 0.9183503171878046
Energy: 0.7685888253290271
Energy: 1.5667503346093274
Energy: 0.7685888253290271
Energy: 1.1869349607278432
Energy: 0.7641881971377577
Energy: 1.5544175093498565
Energy: 0.7641881971433752
Energy: 1.184518300041237
Energy: 0.76242473704083
Energy: 1.67386534498023
Energy: 0.7624247370394256
Energy: 1.1919040125178708
Energy: 0.7639438954036157
Energy: 1.3190895806059957
Energy: 0.763943895393785
Energy: 1.4328813971278191
Energy: 1.0277493331891407
Energy: 1.674544437230907
Energy: 1.0277493331877363
Energy: 1.1797324900050343
Energy: 0.8327522389381204
Energy: 1.4311503754956554
Energy: 0.8327522389430358
Energy: 1.4407491871212
Energy: 0.8357078538263951
Energy: 1.3171665762343137
Energy: 0.8357078538172665
Energy: 1.4379171182575319
Energy: 0.7644199496216422
Energy: 1.4352908407416858
Energy: 0.7644199496160247
Energy: 1.4323449602261784
Energy: 0.7632518868031076
Energy: 1.1788643820482623
Energy: 0.7632518866781174
Energy: 1.6830491642326406
Energy: 0.7626917684538221
Energy: 1.0419460903911952
Energy: 0.7626917684264366
Energy: 1.4401544561588235
Energy: 0.7674375327314257
Energy: 1.194258413442314
Energy: 0.7674375327314257
Energy: 1.6770826579299782
Energy: 0.7650181660579599
Energy: 0.9224299573899678
Energy: 0.7650181660565556
Energy: 1.6726998092967509
Energy: 0.7655255871241935
Energy: 0.9173989157794536
Energy: 0.7655255871206824
Energy: 1.6724858423422215
Energy: 0.7683424715673152
Energy: 0.7720300123878728
Energy: 0.7683424715645064
Energy: 1.6716844563307391
Energy: 0.7652242585258673
Energy: 0.7654821899103512
Energy: 0.7652242585258673
Energy: 1.7951764773927898
Energy: 0.764526957097977
Energy: 0.7679852274339556
Energy: 0.7645269571007858

minimum gb energy = 0.7621921318020052 eV
minimum distance =  2.20625044957181 Angstroms
sigma value = 85


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

Energy: 1.6617287332806283
Energy: 0.7007382080362676
Energy: 0.693731431035772
Energy: 0.7000126556223452
Energy: 1.609114622003397
Energy: 0.6931724344290207
Energy: 0.8166165616703275
Energy: 0.6931724344278027
Energy: 1.6115004769640082
Energy: 0.6922890339423649
Energy: 0.824218492601964
Energy: 0.6922890339441918
Energy: 1.3891221187649905
Energy: 0.6949985269182466
Energy: 1.0600190274536456
Energy: 0.6949985269170286
Energy: 1.6183758476981738
Energy: 0.6903747988587542
Energy: 1.0572954436488746
Energy: 0.690374798846574
Energy: 1.391648403191358
Energy: 0.6913211916361912
Energy: 1.0610518584435804
Energy: 0.6913211916368001
Energy: 1.3894606907039686
Energy: 0.6910689016009073
Energy: 1.2830410200910773
Energy: 0.6910689016636077
Energy: 1.5019281939453233
Energy: 0.690676335196684
Energy: 1.0579150043706513
Energy: 0.690676335196684
Energy: 1.3905739684790426
Energy: 0.6906520786748053
Energy: 1.2841980707077931
Energy: 0.6906520786711513
Energy: 1.3906708276507247
Energy: 1.1538656034793304
Energy: 1.5015059034109641
Energy: 1.1538656034787214
Energy: 1.2829005941779668
Energy: 0.8105594886965681
Energy: 1.281258782326033
Energy: 0.81055948873859
Energy: 1.170138062997102
Energy: 0.6918042398049228
Energy: 1.5021211229305431
Energy: 0.6918042397641191
Energy: 1.2817966371812517
Energy: 0.6904567888573911
Energy: 1.5011934168038663
Energy: 0.6904567888592181
Energy: 1.0622186047764952
Energy: 0.6905045676786086
Energy: 1.2797366218053432
Energy: 0.6905045676706913
Energy: 0.9350916911617887
Energy: 0.6903341169552002
Energy: 1.715231208323617
Energy: 0.6903341169539822
Energy: 1.066758962205096
Energy: 0.6930775520445784
Energy: 1.5033957485772347
Energy: 0.6930775520445784
Energy: 0.8333364548004077
Energy: 0.6930729657948591
Energy: 1.4997073045476845
Energy: 0.6930729657960772
Energy: 0.8142063242753108
Energy: 0.6907053027896247
Energy: 1.820797785413714
Energy: 0.6907053027902339
Energy: 0.838566640663959
Energy: 0.6934096898382469
Energy: 1.7135480435113806
Energy: 0.693409689840683
Energy: 0.690581293243949
Energy: 0.6926682757680037
Energy: 1.7137286288435944
Energy: 0.6926682757692217
Energy: 0.6917828507279417
Energy: 0.691059778278689
Energy: 1.821122304580818
Energy: 0.6910597782792982
Energy: 0.6913269996224987
Energy: 0.6944660953003343
Energy: 1.6085468417055244
Energy: 0.6944660952930262
Energy: 0.8274285404280342
Energy: 0.6940097401346699
Energy: 1.817220707066137
Energy: 0.694009740136497
Energy: 0.8156550108200309
Energy: 0.6906735575150569
Energy: 1.7164784902519759
Energy: 0.6906735575181021
Energy: 0.8179893679444994
Energy: 0.692980714038844
Energy: 1.3886166931731607
Energy: 0.6929807140364078
Energy: 1.0593512591892427
Energy: 0.6911885684861879
Energy: 1.8184143858395017
Energy: 0.691188568487406
Energy: 1.0578185616195468
Energy: 0.6906064943367185
Energy: 1.6103462054068376
Energy: 0.6906064943397636
Energy: 1.2049826325384378
Energy: 0.6911128804965602
Energy: 1.3900250062958264
Energy: 0.6911128804977782
Energy: 1.282748607896563
Energy: 0.6904913023220731
Energy: 1.6185223157550588
Energy: 0.6904913023427797
Energy: 1.2830171700280222
Energy: 0.6913130818498369
Energy: 1.391256153000295
Energy: 0.6913130818181958
Energy: 1.505628980594247
Energy: 0.8123384609418042
Energy: 1.1682615437952235
Energy: 0.812338460941195
Energy: 1.2810960023466385
Energy: 0.8133891287796312
Energy: 1.5019404835140469
Energy: 0.8133891287832854
Energy: 1.5025346494276333
Energy: 0.6905893651415969
Energy: 1.1703471530318232
Energy: 0.690589365259081
Energy: 1.7151730230276327
Energy: 0.6903895495712025
Energy: 1.1714778626828146
Energy: 0.6903895495712025
Energy: 1.27997814312662
Energy: 0.6908132704093056
Energy: 1.063454653672916
Energy: 0.690813270391063
Energy: 1.7159204382057347
Energy: 0.6904318881075568
Energy: 1.0573233379481657
Energy: 0.6904318881039027
Energy: 1.7158384654670888
Energy: 0.6912456744559228
Energy: 1.0596095453388716
Energy: 0.6912456744571408
Energy: 1.4995166966443958
Energy: 0.6913188647687811
Energy: 0.8297254533453362
Energy: 0.691318864766954
Energy: 1.717407488237752
Energy: 0.6904820009592768
Energy: 0.8157762015331158
Energy: 0.6904820009586677
Energy: 1.7138742704096905
Energy: 0.6930563884462232
Energy: 0.8275245997231263
Energy: 0.6930563884474412
Energy: 1.4990644473832253
Energy: 0.6925625557891789
Energy: 0.6914555101782288
Energy: 0.6925625557903969
Energy: 1.820707448683834
Energy: 0.6910194484294745
Energy: 0.6917680877615004
Energy: 0.6910194484270386
Energy: 1.6079235359457247
Energy: 0.6921218622434196
Energy: 0.6911831492363897
Energy: 0.6921218622434196

minimum gb energy = 0.6903341169539822 eV
minimum distance =  2.20914027424738 Angstroms
sigma value = 113


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

Energy: 0.020017514842742477
Energy: 0.021655659893577914
Energy: 1.4125513226428035
Energy: 0.6218669699988106
Energy: 0.020813435791809318
Energy: 0.16189553870364884
Energy: 0.9436020094831504
Energy: 0.16189553870271248
Energy: 0.020840453470354528
Energy: 0.1598661227290677
Energy: 0.941892298081543
Energy: 0.159866122727247
Energy: 0.022783768869091617
Energy: 0.15981413381132542
Energy: 0.9414655780014037
Energy: 0.15981413381085724
Energy: 0.9433844365660452
Energy: 0.15955822451048293
Energy: 0.9419016416587161
Energy: 0.15955822451141927
Energy: 0.020679589676657822
Energy: 0.1593073846203253
Energy: 0.9417147618577517
Energy: 0.1593073846185046

minimum gb energy = 0.020017514842742477 eV
minimum distance =  2.45719294361782 Angstroms
sigma value = 1