Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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=3.5224674642086033
cohesive_energy=4.44900897936396
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018132522442561434
Energy: 0.018958866134799777
Energy: 1.4082771164010126
Energy: 0.018958866135460377
Energy: 0.018958866134799777
Energy: 0.9432414477138721
Energy: 0.018958866134799777
Energy: 0.9432414477138721
Energy: 1.408277116400352
Energy: 0.018958866134799777
Energy: 0.018132522442561434
Energy: 0.018958866134799777
Energy: 0.018958866134799777
Energy: 0.9432414477138721
Energy: 0.018958866135460377
Energy: 0.9432414477138721

minimum gb energy = 0.018132522442561434 eV
minimum distance =  2.44668271249525 Angstroms
sigma value = 1


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

Energy: 1.268958921632104
Energy: 1.3532570967334892
Energy: 1.3316347955765884
Energy: 1.3532570967334892
Energy: 1.2686789663879463
Energy: 1.295803942494178
Energy: 1.2683403781870644
Energy: 1.2958039424949792
Energy: 1.1964980397164682
Energy: 1.3394198291931985
Energy: 1.2535404452221706
Energy: 1.3394198291948007
Energy: 1.2536729633457997
Energy: 1.2401285619125189
Energy: 1.1944441838182112
Energy: 1.2401285619141214
Energy: 1.2323673853394137
Energy: 1.3547230588469266
Energy: 1.2616671208956352
Energy: 1.3547230588493302
Energy: 1.1861608201497564
Energy: 1.3138145637656982
Energy: 1.1572614144284799
Energy: 1.3138145637673009
Energy: 1.2975668349028273
Energy: 1.305618944905286
Energy: 1.1875579958688713
Energy: 1.305618944906087
Energy: 1.1395575451006736
Energy: 1.356512815457383
Energy: 1.163063824809497
Energy: 1.3565128154589852
Energy: 1.1970668974911847
Energy: 1.2266389011499748
Energy: 1.3057198331442808
Energy: 1.226638901150776
Energy: 1.1505001231273733
Energy: 1.3384879722279297
Energy: 1.138904824500374
Energy: 1.3384879722263274
Energy: 1.3044016210991851
Energy: 1.3047232403850848
Energy: 1.1972179084113415
Energy: 1.3047232403850848
Energy: 1.256076487872771
Energy: 1.3565283262301373
Energy: 1.1587499704927497
Energy: 1.356528326229336
Energy: 1.262454786524699
Energy: 1.3059445250677013
Energy: 1.2968933470713355
Energy: 1.3059445250669002
Energy: 1.2533905570470498
Energy: 1.3163461551179245
Energy: 1.186135721096894
Energy: 1.3163461551187257
Energy: 1.2798314050016018
Energy: 1.3526183798754345
Energy: 1.2299962974089291
Energy: 1.3526183798762357
Energy: 1.2717364079634708
Energy: 1.3568164390805062
Energy: 1.2693751898320402
Energy: 1.3568164390821085
Energy: 1.2535653071943915
Energy: 1.33925727911857
Energy: 1.1793245099060838
Energy: 1.3392572791209734
Energy: 1.2683514141071097
Energy: 1.301398033192198
Energy: 1.3007614906804383
Energy: 1.3013980331954027
Energy: 1.1558119988355464
Energy: 1.3561187496449243
Energy: 1.1574672507806736
Energy: 1.3561187496449243
Energy: 1.3127468777763949
Energy: 1.2271112523390602
Energy: 1.2016702309302485
Energy: 1.227111252338259
Energy: 1.1549731648915968
Energy: 1.339181497039161
Energy: 1.1415377151965258
Energy: 1.3391814970415645
Energy: 1.1948816133073124
Energy: 1.2311080063396524
Energy: 1.291777561286973
Energy: 1.2311080063388513
Energy: 1.3372144188344781
Energy: 1.355246115174718
Energy: 1.180486884995129
Energy: 1.355246115173917
Energy: 1.318475802102611
Energy: 1.3386479821744168
Energy: 1.1863200650131445
Energy: 1.3386479821744168
Energy: 1.1872125910187883
Energy: 1.236917289326638
Energy: 1.3833668367646552
Energy: 1.2369172893274392
Energy: 1.2345767760413533
Energy: 1.3559061552113023
Energy: 1.2174329677393338
Energy: 1.3559061552113023
Energy: 1.266177475570474
Energy: 1.3014050253691167
Energy: 1.1963593969952622
Energy: 1.3014050253699179
Energy: 1.197300804098786
Energy: 1.3372707640361028
Energy: 1.2521060568733082
Energy: 1.3372707640361028
Energy: 1.2683274765067607
Energy: 1.2926090588950951
Energy: 1.2662872643847252
Energy: 1.2926090588950951
Energy: 1.2694447656640897
Energy: 1.3540464501792087
Energy: 1.261053591034637
Energy: 1.3540464501800098
Energy: 1.2735336756196982
Energy: 1.2921430114390358
Energy: 1.262680054943664
Energy: 1.2921430114390358
Energy: 1.2298363914835262
Energy: 1.339896936424804
Energy: 1.2540138853363025
Energy: 1.3398969364256048
Energy: 1.2320720525756506
Energy: 1.246084558180691
Energy: 1.1955356974589386
Energy: 1.2460845581790885

minimum gb energy = 1.138904824500374 eV
minimum distance =  2.2897105975492 Angstroms
sigma value = 1


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

Energy: 1.3459641738547685
Energy: 1.3610706334212828
Energy: 1.3335174547097546
Energy: 1.3610706334249367
Energy: 1.294818315928132
Energy: 1.3525921823911566
Energy: 1.3184967284885025
Energy: 1.352592182390243
Energy: 1.273352436277882
Energy: 1.3134631067783735
Energy: 1.2672071754183787
Energy: 1.3134631067820273
Energy: 1.2044304566672763
Energy: 1.2406582251980973
Energy: 1.2163877316294949
Energy: 1.2406582252044915
Energy: 1.2042443320835214
Energy: 1.349303464165229
Energy: 1.3042814107676166
Energy: 1.3493034641716233
Energy: 1.3146056976606018
Energy: 1.3508431298825574
Energy: 1.3214616451421075
Energy: 1.3508431298789034
Energy: 1.2974252666740758
Energy: 1.242637203702713
Energy: 1.2251282218602735
Energy: 1.242637203700886
Energy: 1.1780166367797036
Energy: 1.353622946892404
Energy: 1.2145489095910065
Energy: 1.3536229468878367
Energy: 1.2165752388959095
Energy: 1.2786519691665872
Energy: 1.3703457100630776
Energy: 1.2786519691675007
Energy: 1.2043266697544093
Energy: 1.3645718842601908
Energy: 1.202411282299507
Energy: 1.3645718842620178
Energy: 1.2967178985118322
Energy: 1.3189675159513272
Energy: 1.3097427903136891
Energy: 1.3189675159440608
Energy: 1.1972807375551353
Energy: 1.3924249132688489
Energy: 1.2889096508556963
Energy: 1.3924249132688489
Energy: 1.278524463785391
Energy: 1.3517617010836718
Energy: 1.3002802133228706
Energy: 1.3517617010827583
Energy: 1.2784747236352068
Energy: 1.3519101675962164
Energy: 1.2770170119478466
Energy: 1.35191016759713
Energy: 1.1972600267710964
Energy: 1.392533567252565
Energy: 1.26674344640751
Energy: 1.3925335672516517
Energy: 1.2969378811755647
Energy: 1.3189893310808998
Energy: 1.318318367690368
Energy: 1.3189893310772456
Energy: 1.2043271591826399
Energy: 1.3525672122916608
Energy: 1.2067548977442983
Energy: 1.3525672122870935
Energy: 1.21676645803275
Energy: 1.2790218104120294
Energy: 1.3699450395932367
Energy: 1.2790218104138567
Energy: 1.1780184900651423
Energy: 1.35330892482114
Energy: 1.204339273461955
Energy: 1.353308924822967
Energy: 1.297595258875982
Energy: 1.2428698948801917
Energy: 1.231366915682332
Energy: 1.242869894882932
Energy: 1.3145170487820927
Energy: 1.3443450694909946
Energy: 1.1929973175407402
Energy: 1.3443450694937353
Energy: 1.2043429070019591
Energy: 1.3472644465047872
Energy: 1.3045444733731757
Energy: 1.3472644465120949
Energy: 1.2043356321669896
Energy: 1.2404469616713607
Energy: 1.2251870083484337
Energy: 1.2404469616749731
Energy: 1.273555305696449
Energy: 1.3525056453238755
Energy: 1.2662979740007707
Energy: 1.3525056453220485
Energy: 1.2948527760986481
Energy: 1.352794511976571
Energy: 1.3183464612164817
Energy: 1.3527945119811382
Energy: 1.345964173855682
Energy: 1.3610706334212828
Energy: 1.3335174547097546
Energy: 1.3610706334240232
Energy: 1.294818315926305
Energy: 1.3525921823920697
Energy: 1.3184967284885025
Energy: 1.3525921823911566
Energy: 1.2733524362760549
Energy: 1.3134631067847677
Energy: 1.257899565050722
Energy: 1.3134631067783735
Energy: 1.2044304566681896
Energy: 1.2406582251999243
Energy: 1.2163877316294949
Energy: 1.2406582251990108

minimum gb energy = 1.1780166367797036 eV
minimum distance =  2.3018117214941 Angstroms
sigma value = 25


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

Energy: 1.2961074255741123
Energy: 1.4896880228123444
Energy: 1.4967339884107997
Energy: 1.4896880228134062
Energy: 1.36898147134579
Energy: 1.3758094352883712
Energy: 1.2699101865585132
Energy: 1.3758094352883712
Energy: 1.335587325929685
Energy: 1.5203128541332214
Energy: 1.2795717624413252
Energy: 1.5203128541332214
Energy: 1.2750972328772716
Energy: 1.2879646964091533
Energy: 1.2588242529174378
Energy: 1.2879646964102156
Energy: 1.2554688616521337
Energy: 1.2760682528603802
Energy: 1.3592426441394156
Energy: 1.2760682528444518
Energy: 1.3918027868805036
Energy: 1.3039802082151528
Energy: 1.4817418650337313
Energy: 1.303980210446231
Energy: 1.3768004893575443
Energy: 1.277977177851065
Energy: 1.285701059014906
Energy: 1.2779771778500029
Energy: 1.5069692036579758
Energy: 1.4945236983487504
Energy: 1.2225696354281241
Energy: 1.4945236983487504
Energy: 1.2811661547997086
Energy: 1.4368834060817919
Energy: 1.3785592086531335
Energy: 1.4368834060817919
Energy: 1.2729805996187826
Energy: 1.301414146196488
Energy: 1.2466065247808102
Energy: 1.3014141460882238
Energy: 1.3664017934952315
Energy: 1.393626453810443
Energy: 1.3679207357870495
Energy: 1.393626453810443
Energy: 1.340934338200235
Energy: 1.488886593301216
Energy: 1.2701279238220502
Energy: 1.48888659330334
Energy: 1.27992109022575
Energy: 1.3820302295493407
Energy: 1.2491973480745042
Energy: 1.3820302295493407
Energy: 1.2862809401529092
Energy: 1.3635751547750687
Energy: 1.3778946608977303
Energy: 1.363575154776131
Energy: 1.2507662717179993
Energy: 1.4966756223789586
Energy: 1.2194171235446951
Energy: 1.4966756223789586
Energy: 1.3688933498179539
Energy: 1.2808559724711783
Energy: 1.2544953005752242
Energy: 1.2808559724711783
Energy: 1.2156626339271963
Energy: 1.5191415116716431
Energy: 1.2160521110815656
Energy: 1.5191415116727047
Energy: 1.2581829255615993
Energy: 1.2765045933389376
Energy: 1.3673431848189155
Energy: 1.2765045933378756
Energy: 1.2441417920104212
Energy: 1.2851679059687395
Energy: 1.2559005520359177
Energy: 1.2851679059708634
Energy: 1.3762272989435527
Energy: 1.303490839217702
Energy: 1.2741057913391969
Energy: 1.3034908411526578
Energy: 1.2855336731508782
Energy: 1.4270849598047
Energy: 1.270322422781987
Energy: 1.4270849598036381
Energy: 1.2983432321925503
Energy: 1.4927798262504772
Energy: 1.403941360203981
Energy: 1.4927798262504772
Energy: 1.3731425563904511
Energy: 1.353263738587919
Energy: 1.2701430668811846
Energy: 1.3532637385826096
Energy: 1.341392976343636
Energy: 1.5209767358753434
Energy: 1.2730037698345111
Energy: 1.5209767358764055
Energy: 1.3711299311813654
Energy: 1.2868366989193183
Energy: 1.2552691605560187
Energy: 1.2868366989193183

minimum gb energy = 1.2156626339271963 eV
minimum distance =  2.30190165127169 Angstroms
sigma value = 9


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

Energy: 1.3643729237039925
Energy: 1.3643930877229409
Energy: 1.506335685524963
Energy: 1.3643930877229409
Energy: 1.3256461857217257
Energy: 1.4472320909370773
Energy: 1.355285388527741
Energy: 1.4472320909396108
Energy: 1.397044231761746
Energy: 1.3547951941519916
Energy: 1.3641963217183346
Energy: 1.3547951941519916
Energy: 1.341298732392033
Energy: 1.3171255072044896
Energy: 1.2648167869147464
Energy: 1.3171255071829546
Energy: 1.470169413151124
Energy: 1.4495103695677831
Energy: 1.3490143101821908
Energy: 1.4495103695703169
Energy: 1.245567815378566
Energy: 1.3661070704394234
Energy: 1.412555367755902
Energy: 1.3661070704394234
Energy: 1.3417022916403682
Energy: 1.2649278927117824
Energy: 1.2642733413808038
Energy: 1.2649278927143157
Energy: 1.4264354500904823
Energy: 1.3648837049894451
Energy: 1.2559160118319155
Energy: 1.3648837049907119
Energy: 1.348545348764298
Energy: 1.4479067279145834
Energy: 1.3534517601405949
Energy: 1.4479067279145834
Energy: 1.356890366772024
Energy: 1.3664824435221177
Energy: 1.2698194195552852
Energy: 1.3664824435195844
Energy: 1.292206559335763
Energy: 1.4460270615519892
Energy: 1.339791967867824
Energy: 1.4460270615494557
Energy: 1.344479617115458
Energy: 1.4249416192263957
Energy: 1.2647994356711385
Energy: 1.4249416192289293
Energy: 1.2458319430674807
Energy: 1.367817665988799
Energy: 1.327876021635749
Energy: 1.367817665988799
Energy: 1.3195999198447967
Energy: 1.356143777729272
Energy: 1.3527499006124881
Energy: 1.356143777729272
Energy: 1.2458410394212391
Energy: 1.355516777546791
Energy: 1.3619287888862406
Energy: 1.3555167775455241
Energy: 1.3445447439164446
Energy: 1.4249988007108618
Energy: 1.264523953626386
Energy: 1.4249988007121286
Energy: 1.2922802983898833
Energy: 1.4460015256847982
Energy: 1.3055540239483252
Energy: 1.4460015256835315
Energy: 1.3573683123585583
Energy: 1.3663511400291235
Energy: 1.2698542551410947
Energy: 1.3663511400265902
Energy: 1.3476189860377692
Energy: 1.447964635101094
Energy: 1.308967574427818
Energy: 1.4479646350985607
Energy: 1.4266695768154647
Energy: 1.3645654354821992
Energy: 1.2559131918633208
Energy: 1.364565435483466
Energy: 1.3412443805613006
Energy: 1.2649181954888935
Energy: 1.2641177177325973
Energy: 1.264918195487627

minimum gb energy = 1.245567815378566 eV
minimum distance =  2.36451106778555 Angstroms
sigma value = 25


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

Energy: 1.2854258500682914
Energy: 1.5678153924924516
Energy: 1.645729144121612
Energy: 1.567815392490885
Energy: 1.2690563287014203
Energy: 1.444513571527287
Energy: 1.2669494448958807
Energy: 1.444513571528854
Energy: 1.2688394918218138
Energy: 1.462733101750468
Energy: 1.2673567100780097
Energy: 1.462733101288537
Energy: 1.2890719262052208
Energy: 1.4532200105095403
Energy: 1.4796228986032331
Energy: 1.4532200105095403
Energy: 1.476489011829879
Energy: 1.2703693753478411
Energy: 1.3069988069099443
Energy: 1.2703693753478411
Energy: 1.272026416929322
Energy: 1.5699457840214108
Energy: 1.2672849258505174
Energy: 1.5699457840229774
Energy: 1.2670797882158873
Energy: 1.4648616497255353
Energy: 1.2683307829169896
Energy: 1.4648616497271023
Energy: 1.4629008549868716
Energy: 1.5729430653924774
Energy: 1.2914424833227405
Energy: 1.5729430653924774
Energy: 1.2672282560943167
Energy: 1.3771045231992491
Energy: 1.2716954021307285
Energy: 1.3771045231945496
Energy: 1.4956004448419364
Energy: 1.4646975541744063
Energy: 1.269464082752768
Energy: 1.4646975541759728
Energy: 1.3156821265093657
Energy: 1.4529386283403147
Energy: 1.670616776128214
Energy: 1.4529386283403147
Energy: 1.2664302731996402
Energy: 1.3050768457196387
Energy: 1.4975145671642192
Energy: 1.3050768457196387
Energy: 1.4803419372959408
Energy: 1.4005111225773608
Energy: 1.2677381349660637
Energy: 1.4005111226587879
Energy: 1.268064922430305
Energy: 1.2665160593733136
Energy: 1.2885352658514608
Energy: 1.266516059371747
Energy: 1.3082839009909117
Energy: 1.4894714339448072
Energy: 1.4636456879648234
Energy: 1.4894714339448072
Energy: 1.270157596600202
Energy: 1.3937517004466142
Energy: 1.2723043603427426
Energy: 1.3937517004450477
Energy: 1.2685687011716007
Energy: 1.3755219389011601
Energy: 1.4937651735066597
Energy: 1.3755219388995934

minimum gb energy = 1.2664302731996402 eV
minimum distance =  2.36374776998213 Angstroms
sigma value = 17


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

Energy: 1.4198718525318401
Energy: 1.4207373399591152
Energy: 1.7552611832918563
Energy: 1.420737339958228
Energy: 1.4900793483524788
Energy: 1.3800468267423
Energy: 1.294514826563166
Energy: 1.3800468267405255
Energy: 1.4999427463570763
Energy: 1.4473051290949286
Energy: 1.2946192019438094
Energy: 1.4473051290958159
Energy: 1.2966655872871415
Energy: 1.452515380059065
Energy: 1.4113720876236868
Energy: 1.452515380059065
Energy: 1.5172562574809287
Energy: 1.3925040548009273
Energy: 1.3599651517551712
Energy: 1.3925040548018146
Energy: 1.3022256276637252
Energy: 1.4341870307960953
Energy: 1.509255454945121
Energy: 1.4341870307960953
Energy: 1.2983326772976689
Energy: 1.437811578742684
Energy: 1.2965625028589296
Energy: 1.437811578742684
Energy: 1.5101738131869844
Energy: 1.3352539796919252
Energy: 1.3007571691902737
Energy: 1.3352539796910379
Energy: 1.308137228586139
Energy: 1.5271433502144716
Energy: 1.5266195628330357
Energy: 1.5271433502153589
Energy: 1.6337728801540536
Energy: 1.3839707552469311
Energy: 1.2955938861945184
Energy: 1.3839707552451568
Energy: 1.30016767409988
Energy: 1.4514337265024921
Energy: 1.503661713396505
Energy: 1.4514337265024921
Energy: 1.3036380791436502
Energy: 1.434732559837399
Energy: 1.3030648002808893
Energy: 1.434732559836512
Energy: 1.485907591626156
Energy: 1.4222922986153514
Energy: 1.4248401874511767
Energy: 1.4222922986153514
Energy: 1.2944448369641268
Energy: 1.4694001539236512
Energy: 1.492880000206503
Energy: 1.4694001539254256
Energy: 1.4145044465709822
Energy: 1.4397779373929334
Energy: 1.3051883295952698
Energy: 1.439777937392046
Energy: 1.4968580908729758
Energy: 1.4320321057316858
Energy: 1.512093925025589
Energy: 1.4320321057343475
Energy: 1.298315965373594
Energy: 1.493142479831128
Energy: 1.620092173292399
Energy: 1.4931424798302406
Energy: 1.61689952425404
Energy: 1.4174216401062554
Energy: 1.3023252307507291
Energy: 1.4174216401044808
Energy: 1.3500832511693475
Energy: 1.4880581719423092
Energy: 1.3861741813163841
Energy: 1.4880581719431965
Energy: 1.2959387489794991
Energy: 1.4502958267082247
Energy: 1.297710077039551
Energy: 1.4502958267038286
Energy: 1.3985152262288312
Energy: 1.444942219959406
Energy: 1.499225440373369
Energy: 1.444942219959406
Energy: 1.2964322096543512
Energy: 1.5466674586992144
Energy: 1.6341923627257784
Energy: 1.5466674587001017
Energy: 1.5360811818626705
Energy: 1.450934216148635
Energy: 1.2943192221341506
Energy: 1.4509342161512966
Energy: 1.3022844564181961
Energy: 1.4392471595042342
Energy: 1.483445726434011
Energy: 1.4392471595051213
Energy: 1.3025736420100056
Energy: 1.4466223395770066
Energy: 1.4832830828775554
Energy: 1.446622339575232
Energy: 1.5333819816799665
Energy: 1.4515540868425458
Energy: 1.2968745680641471
Energy: 1.451554086843433
Energy: 1.3647720756848156
Energy: 1.544312622431343
Energy: 1.6582604219072643
Energy: 1.544312622430456
Energy: 1.5072874320998781
Energy: 1.3379498382681598
Energy: 1.5010072788757238
Energy: 1.3379498382442043
Energy: 1.6117532205485605
Energy: 1.54123527424559
Energy: 1.2994475291724492
Energy: 1.5412352742464772
Energy: 1.300752883325024
Energy: 1.4877264796119039
Energy: 1.6154726885486015
Energy: 1.4877264796145655

minimum gb energy = 1.2943192221341506 eV
minimum distance =  2.2696446085618 Angstroms
sigma value = 53


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

Energy: 1.2087668267126146
Energy: 1.2091770272778883
Energy: 1.6932424045019405
Energy: 1.2091770272799311
Energy: 1.4807976739201616
Energy: 1.3405933607017733
Energy: 1.3042589285491724
Energy: 1.340593360703816
Energy: 1.211544213152321
Energy: 1.209441825446205
Energy: 1.374940702338414
Energy: 1.2094418254441626
Energy: 1.211273755763927
Energy: 1.2093954130169697
Energy: 1.4811041964128944
Energy: 1.2093954130169697
Energy: 1.4806041819837747
Energy: 1.3404928439669506
Energy: 1.3041380885517213
Energy: 1.3404928439649078
Energy: 1.2087668267105718
Energy: 1.2091770272799311
Energy: 1.701599478282647
Energy: 1.2091770272778883
Energy: 1.4807976739222044
Energy: 1.3405933607017733
Energy: 1.37556906870499
Energy: 1.340593360703816
Energy: 1.2115442131543632
Energy: 1.2094418254441626
Energy: 1.4855573016094559
Energy: 1.2094418254400772
Energy: 1.2112737557598419
Energy: 1.209395413019012
Energy: 1.4811041964128944
Energy: 1.2093954130169697
Energy: 1.4806041819858171
Energy: 1.3404928439669506
Energy: 1.4247123308492238
Energy: 1.3404928439669506
Energy: 1.2087668267126146
Energy: 1.2091770272778883
Energy: 1.793512741931147
Energy: 1.2091770272799311
Energy: 1.4807976739181195
Energy: 1.3405933607017733
Energy: 1.4807222568373588
Energy: 1.3405933607017733
Energy: 1.2115442131543632
Energy: 1.2094418254482475
Energy: 1.4855573016135408
Energy: 1.20944182544212

minimum gb energy = 1.2087668267105718 eV
minimum distance =  2.33729079864191 Angstroms
sigma value = 9


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

Energy: 1.3306903327712785
Energy: 1.6107853795758045
Energy: 1.8307797710371594
Energy: 1.6107853795758045
Energy: 1.647047562617103
Energy: 1.423991091677786
Energy: 1.367263796419208
Energy: 1.423991091677786
Energy: 1.3793014696786707
Energy: 1.3245687448896633
Energy: 1.351119806580835
Energy: 1.3245687448896633
Energy: 1.5697952421556505
Energy: 1.593173378027546
Energy: 1.3669707192733969
Energy: 1.5931733780290582
Energy: 1.5614248224220548
Energy: 1.3939765729255413
Energy: 1.3872328962685294
Energy: 1.3939765729255413
Energy: 1.3248724110852437
Energy: 1.3240060970003378
Energy: 1.5850354398226927
Energy: 1.324006097001094
Energy: 1.7995189131918397
Energy: 1.39328790892726
Energy: 1.3737310385872932
Energy: 1.39328790892726
Energy: 1.3776661014261056
Energy: 1.460740663947711
Energy: 1.5710872905764453
Energy: 1.460740663947711
Energy: 1.3807427943282595
Energy: 1.46203387165389
Energy: 1.3369194099737065
Energy: 1.46203387165011
Energy: 1.3819661945318296
Energy: 1.4115379768540957
Energy: 1.3662275729922486
Energy: 1.4115379768518277
Energy: 1.3781875386485434
Energy: 1.4564571354257165
Energy: 1.831950742147065
Energy: 1.4564571354272282
Energy: 1.5637312012011901
Energy: 1.5397930089264107
Energy: 1.3835664702843022
Energy: 1.5397930089294343
Energy: 1.380977971058014
Energy: 1.432252674752462
Energy: 1.6792100738279432
Energy: 1.432252674751706
Energy: 1.5759268773343518
Energy: 1.5976523966776806
Energy: 1.3400932172535405
Energy: 1.5976523966784366
Energy: 1.3757265981470825
Energy: 1.5127358555265338
Energy: 1.5514773537807158
Energy: 1.5127358555265338
Energy: 1.3827208697953037
Energy: 1.5884486966912372
Energy: 1.5822120127717232
Energy: 1.5884486966927494
Energy: 1.4596458011041242
Energy: 1.5164029838632505
Energy: 1.3758038618280932
Energy: 1.5164029838609825
Energy: 1.3795906583807958
Energy: 1.3932948861828736
Energy: 1.5574649585321643
Energy: 1.3932948861821177
Energy: 1.6249482526340102
Energy: 1.4354159586739308
Energy: 1.3266453635808206
Energy: 1.4354159586709072
Energy: 1.3711131684402345
Energy: 1.4212636625972768
Energy: 1.4660864124829358
Energy: 1.4212636625995447
Energy: 1.5681118971598036
Energy: 1.5885286490363804
Energy: 1.5651917443233647
Energy: 1.5885286490356245
Energy: 1.464837489057741
Energy: 1.3541541805225605
Energy: 1.3816092034773697
Energy: 1.3541541732735334
Energy: 1.3370614223664044
Energy: 1.4962717746557108
Energy: 1.3833128211330767
Energy: 1.4962717746557108
Energy: 1.8319059160990332
Energy: 1.4535040606667038
Energy: 1.3778753005194206
Energy: 1.45350406066368
Energy: 1.372788355029792
Energy: 1.5685197020395207
Energy: 1.6800378662333848
Energy: 1.568519702040277
Energy: 1.4744714172430877
Energy: 1.324377983975176
Energy: 1.3791952761840667
Energy: 1.3243779839721523
Energy: 1.5424628476105493
Energy: 1.500535933266664
Energy: 1.5656938707855743
Energy: 1.5005359332689316
Energy: 1.3448639721861302
Energy: 1.6031736727422454
Energy: 1.5658717815747762
Energy: 1.6031736727407333
Energy: 1.450962932186788
Energy: 1.3251666465242304
Energy: 1.3781483868855602
Energy: 1.3251666465310346
Energy: 1.3679997898559675
Energy: 1.5690408823839583
Energy: 1.6769148269276604
Energy: 1.5690408823869826
Energy: 1.7313766289269181
Energy: 1.4534882134380418
Energy: 1.3782578056731922
Energy: 1.4534882134380418
Energy: 1.3258215924289862
Energy: 1.396536820684939
Energy: 1.3811493126686136
Energy: 1.3965368206819149
Energy: 1.3606936809901797
Energy: 1.4855508602565182
Energy: 1.3801725751226757
Energy: 1.4855508602557623
Energy: 1.5701266139442362
Energy: 1.5893897871453413
Energy: 1.5667988298274895
Energy: 1.5893897871445852
Energy: 1.3941613904896573
Energy: 1.5561569631667986
Energy: 1.802288320235795
Energy: 1.5561569631660426

minimum gb energy = 1.3240060970003378 eV
minimum distance =  2.30014425180158 Angstroms
sigma value = 73


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

Energy: 1.4153026922607976
Energy: 1.4169007673303353
Energy: 1.7534933051979487
Energy: 1.4169007673315346
Energy: 1.4443923477497849
Energy: 1.43162305121889
Energy: 1.3738860192943299
Energy: 1.43162305121889
Energy: 1.3897185275980792
Energy: 1.4033255649680187
Energy: 1.3474170005881645
Energy: 1.403325564970418
Energy: 1.4098305745942827
Energy: 1.3509136876476644
Energy: 1.402546294124348
Energy: 1.3509136876452654
Energy: 1.4260676901732547
Energy: 1.4457172171844817
Energy: 1.347214512316815
Energy: 1.4457172171844817
Energy: 1.3819076521734512
Energy: 1.3507204190965407
Energy: 1.7165597469649818
Energy: 1.350720419092942
Energy: 1.7541509188179352
Energy: 1.5445242785358135
Energy: 1.3858876834285248
Energy: 1.5445242785346143
Energy: 1.3864596154729714
Energy: 1.3212624406457114
Energy: 1.624821335389981
Energy: 1.3212624406433127
Energy: 1.759650051464809
Energy: 1.3219741693717213
Energy: 1.3226308801313493
Energy: 1.3219741693693223
Energy: 1.3737284903373586
Energy: 1.459981039454725
Energy: 1.3220164326431474
Energy: 1.4599810394559245
Energy: 1.378400517370687
Energy: 1.4021429660780165
Energy: 1.6945566601213147
Energy: 1.4021429660780165
Energy: 1.5535604044386426
Energy: 1.35257122969703
Energy: 1.4094299195724456
Energy: 1.35257122969703
Energy: 1.372045335560759
Energy: 1.43264130050097
Energy: 1.588319131908167
Energy: 1.43264130050097
Energy: 1.7634826630791072
Energy: 1.5144620930174535
Energy: 1.3981279845387222
Energy: 1.5144620930174535
Energy: 1.3929609688008153
Energy: 1.397900259200452
Energy: 1.604491325071995
Energy: 1.3979002591992524
Energy: 1.6740273147503677
Energy: 1.320990630815794
Energy: 1.395823431307404
Energy: 1.3209906308133952
Energy: 1.4157385178698414
Energy: 1.4169014045451633
Energy: 1.386259406832437
Energy: 1.4169014045451633
Energy: 1.4165437800031493
Energy: 1.417949303607645
Energy: 1.4002380895485456
Energy: 1.417949303607645
Energy: 1.5734526027245366
Energy: 1.3211251845435397
Energy: 1.3952206867265453
Energy: 1.3211251845435397
Energy: 1.3850314885639934
Energy: 1.4524867553559144
Energy: 1.6737008808690979
Energy: 1.4524867553559144
Energy: 1.7666304381111246
Energy: 1.406443752019878
Energy: 1.3844212307622874
Energy: 1.4064437520186786
Energy: 1.4043688999591128
Energy: 1.442876228844911
Energy: 1.5593451433779002
Energy: 1.4428762288461106

minimum gb energy = 1.3209906308133952 eV
minimum distance =  2.3038849960088 Angstroms
sigma value = 7


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

Energy: 1.352105976743467
Energy: 1.352730418493704
Energy: 1.8300393172358975
Energy: 1.3527304184920075
Energy: 1.7254022184261417
Energy: 1.437249994201862
Energy: 1.3972066370626566
Energy: 1.4372499941951156
Energy: 1.3715990813868768
Energy: 1.3524210225449294
Energy: 1.3979339740993544
Energy: 1.3524210225406887
Energy: 1.438304021176214
Energy: 1.4295105361790132
Energy: 1.3804182563911989
Energy: 1.4295105361815574
Energy: 1.3665448746123856
Energy: 1.424829678573243
Energy: 1.3702733331667876
Energy: 1.424829678568154
Energy: 1.3770802118387488
Energy: 1.4645117527008846
Energy: 1.7195611654386724
Energy: 1.4645117527008846
Energy: 1.5434375674452046
Energy: 1.6203073606338343
Energy: 1.4149056305046894
Energy: 1.6203073606329863
Energy: 1.3768958489627954
Energy: 1.3539705425532047
Energy: 1.7676446095278382
Energy: 1.353970542554053
Energy: 1.58809851044748
Energy: 1.4310062498175762
Energy: 1.3754124063168158
Energy: 1.4310062498192726
Energy: 1.4002175475305876
Energy: 1.4309194647242247
Energy: 1.49254830036507
Energy: 1.430919464725073
Energy: 1.4512334688305546
Energy: 1.5512527371337164
Energy: 1.41258256529697
Energy: 1.551252737125235
Energy: 1.3531337299251887
Energy: 1.4252956743753
Energy: 1.4207727024976966
Energy: 1.4252956743668186
Energy: 1.3631569127668155
Energy: 1.3548086077741157
Energy: 1.4345006713897142
Energy: 1.3548086077775083
Energy: 1.4171169741049499
Energy: 1.357825939106064
Energy: 1.4040983988377749
Energy: 1.3578259391077603
Energy: 1.396831157540869
Energy: 1.5844840643984863
Energy: 1.5433902187555715
Energy: 1.5844840644052716
Energy: 1.8964490837641348
Energy: 1.3567136244512548
Energy: 1.3718576875556152
Energy: 1.356713624452103
Energy: 1.382720227937609
Energy: 1.4243035714945254
Energy: 1.57363542766936
Energy: 1.4243035714987662
Energy: 1.3596735111971918
Energy: 1.4447876524592576
Energy: 1.405412390549448
Energy: 1.4447876524584096
Energy: 1.3827911215126039
Energy: 1.464564465552918
Energy: 1.4083479054606813
Energy: 1.4645644655495256
Energy: 1.388010240735173
Energy: 1.4283408610150123
Energy: 1.3563996979865072
Energy: 1.4283408610167088
Energy: 1.439619547668108
Energy: 1.3788284560914421
Energy: 1.3752440616421802
Energy: 1.37882845609229
Energy: 1.3791197427645001
Energy: 1.3527582520602763
Energy: 1.5416304819767899
Energy: 1.3527582520594283
Energy: 1.6751674026048844
Energy: 1.430084388275203
Energy: 1.4062991525298678
Energy: 1.4300843882701144
Energy: 1.355810862547263
Energy: 1.3535523701546313
Energy: 1.7095262613103477
Energy: 1.3535523701512386
Energy: 1.37759369728308
Energy: 1.4281797146290296
Energy: 1.4224562607933167
Energy: 1.4281797146315738
Energy: 1.4357424363449895
Energy: 1.4653387220740202
Energy: 1.4313669415707695
Energy: 1.4653387220740202
Energy: 1.3792269634231717
Energy: 1.4352992275327539
Energy: 1.4886104447904367
Energy: 1.4352992275361467
Energy: 1.3804543758176966
Energy: 1.426498989794155
Energy: 1.3802233307259224
Energy: 1.4264989897933067
Energy: 1.3731484051877119
Energy: 1.355511662998295
Energy: 1.6628954235687825
Energy: 1.3555116629940545
Energy: 1.5174516170598753
Energy: 1.3969622605232501
Energy: 1.4016801025667587
Energy: 1.3969622605300354
Energy: 1.373123066621031
Energy: 1.3527817815689465
Energy: 1.7006962046224545
Energy: 1.3527817815706429

minimum gb energy = 1.352105976743467 eV
minimum distance =  2.29154837978552 Angstroms
sigma value = 29


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

Energy: 1.2637808214535722
Energy: 1.3198731493882263
Energy: 1.4947321552730748
Energy: 1.3198731493882263
Energy: 1.334425521640312
Energy: 1.2671956114209593
Energy: 1.2635460631589621
Energy: 1.2671956103676518
Energy: 1.3921615913232912
Energy: 1.3151906587306883
Energy: 1.24233866687106
Energy: 1.3151906587309838
Energy: 1.2630864613635326
Energy: 1.24261530245421
Energy: 1.2630266804978323
Energy: 1.24261530245421
Energy: 1.2638020147023101
Energy: 1.314458535214852
Energy: 1.3743525419451048
Energy: 1.3144585352142613
Energy: 1.3720761042183405
Energy: 1.312950859539199
Energy: 1.371479340253797
Energy: 1.312950859539199
Energy: 1.3194864896802883
Energy: 1.314500879670496
Energy: 1.2638303198865777
Energy: 1.314500879671087
Energy: 1.2632157511971631
Energy: 1.2421669137309996
Energy: 1.263255542558636
Energy: 1.2421669137315903
Energy: 1.2411656044047528
Energy: 1.3147307601428362
Energy: 1.3356589772158522
Energy: 1.3147307601457248

minimum gb energy = 1.2411656044047528 eV
minimum distance =  2.34017221615863 Angstroms
sigma value = 5


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

Energy: 1.2586882687000214
Energy: 1.2958749469340582
Energy: 1.5990810570321836
Energy: 1.2958749469356607
Energy: 1.3730251654234569
Energy: 1.3101116018772052
Energy: 1.2897208117521095
Energy: 1.3101116018756027
Energy: 1.2528474899721576
Energy: 1.3024465311924802
Energy: 1.5421660694048356
Energy: 1.3024465311940825
Energy: 1.2614866043170256
Energy: 1.3440173017191241
Energy: 1.2504171474836554
Energy: 1.3440173017191241
Energy: 1.2657294818794855
Energy: 1.3453836258037517
Energy: 1.4747104574200318
Energy: 1.3453836258029506
Energy: 1.3956599375181944
Energy: 1.2972796321337539
Energy: 1.2522434910017946
Energy: 1.2972796321377598
Energy: 1.2484821642500616
Energy: 1.3421586896652582
Energy: 1.2433386379137292
Energy: 1.342158689664457
Energy: 1.248781083845759
Energy: 1.414116242500916
Energy: 1.2561634654728722
Energy: 1.414116242501717
Energy: 1.247073786759762
Energy: 1.342937657444756
Energy: 1.3128150151557174
Energy: 1.3429376574471594
Energy: 1.2467922348462848
Energy: 1.3426353980859986
Energy: 1.2603225446027404
Energy: 1.3426353980859986
Energy: 1.3134378233381674
Energy: 1.3892788862856742
Energy: 1.2540477827571093
Energy: 1.389278886302499
Energy: 1.2927848942556726
Energy: 1.36661264875467
Energy: 1.2967541372048692
Energy: 1.366612648755471
Energy: 1.3877703878772132
Energy: 1.2965819339853262
Energy: 1.2953012259138634
Energy: 1.2965819339861273
Energy: 1.2637403519652197
Energy: 1.298165016764196
Energy: 1.3304550633744028
Energy: 1.298165016763395
Energy: 1.278454913485596
Energy: 1.502430507158729
Energy: 1.2549290189876505
Energy: 1.502430507158729
Energy: 1.246636053646766
Energy: 1.300788325592423
Energy: 1.3687316427749914
Energy: 1.300788325592423
Energy: 1.4747188371167428
Energy: 1.370533871852096
Energy: 1.2690148447774159
Energy: 1.3705338718504936
Energy: 1.2526779406420017
Energy: 1.4142973288285088
Energy: 1.4661067043127975
Energy: 1.4142973288293097
Energy: 1.2462690469993627
Energy: 1.3449131986740148
Energy: 1.2557855183280096
Energy: 1.3449131986724125
Energy: 1.2706139742971452
Energy: 1.4927753535202597
Energy: 1.2722989628017407
Energy: 1.492775353518657
Energy: 1.2749686558160835
Energy: 1.2997167547034627
Energy: 1.2537897694717897
Energy: 1.2997167547065946
Energy: 1.294116059690629
Energy: 1.34314743996985
Energy: 1.2468762529030906
Energy: 1.343147439969049
Energy: 1.2582401760304995
Energy: 1.2984605187539087
Energy: 1.2765769574122845
Energy: 1.2984605187523064
Energy: 1.29578261918047
Energy: 1.2856545300773756
Energy: 1.295657786483858
Energy: 1.2856545300773756
Energy: 1.3076933689907753
Energy: 1.275530694214496
Energy: 1.2912871183021077
Energy: 1.2755306942128937
Energy: 1.2728807376464664
Energy: 1.2979144643994363
Energy: 1.2684658224483036
Energy: 1.2979144643986351
Energy: 1.2578608107882543
Energy: 1.3416106500001892
Energy: 1.2691663955025434
Energy: 1.3416106500001892
Energy: 1.388448452124806
Energy: 1.3385337246105347
Energy: 1.2463654129269417
Energy: 1.3385337246097335
Energy: 1.2650076128080547
Energy: 1.416783627697824
Energy: 1.479834830201537
Energy: 1.416783627700228
Energy: 1.4793305792806488
Energy: 1.4153887843350408
Energy: 1.251414190900346
Energy: 1.415388784335842
Energy: 1.2507184657821413
Energy: 1.2704470451464374
Energy: 1.4839400529852922
Energy: 1.2704470451472385
Energy: 1.4680432666504695
Energy: 1.3737500422006066
Energy: 1.265513357873978
Energy: 1.37375004220301
Energy: 1.2495948839140352
Energy: 1.3388117397564008
Energy: 1.2742227179603525
Energy: 1.338811739757202

minimum gb energy = 1.2433386379137292 eV
minimum distance =  2.28571307147056 Angstroms
sigma value = 1


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

Energy: 1.2475028176436425
Energy: 1.2485508893101722
Energy: 1.3983487389170222
Energy: 1.2485508893068489
Energy: 1.2266440044466427
Energy: 1.2583442512785952
Energy: 1.2103154784098826
Energy: 1.2583442512797027
Energy: 1.2022176741556274
Energy: 1.4245183316624848
Energy: 1.4972787649490122
Energy: 1.4245183316591614
Energy: 1.3005556968183876
Energy: 1.3227202180497892
Energy: 1.1947453966088883
Energy: 1.3227202180520046
Energy: 1.2273827657068508
Energy: 1.3503383260496866
Energy: 1.2906876562279088
Energy: 1.3503383260519017
Energy: 1.2021677281624488
Energy: 1.3077965421923383
Energy: 1.1951608852018125
Energy: 1.3077965421790454
Energy: 1.2023380828147123
Energy: 1.3490949836738029
Energy: 1.2199671654364614
Energy: 1.3490949836749109
Energy: 1.2023536841519136
Energy: 1.4226913056714576
Energy: 1.2953414675388422
Energy: 1.4226913056681343
Energy: 1.2479217630275588
Energy: 1.2277721498803034
Energy: 1.3252099477667163
Energy: 1.2277721498791954
Energy: 1.2482040545283666
Energy: 1.228135906409308
Energy: 1.3372622135831527
Energy: 1.2281359064115236
Energy: 1.2021647936119075
Energy: 1.42290487456072
Energy: 1.2618426518592911
Energy: 1.422904874557397
Energy: 1.2024170660900997
Energy: 1.3493007722856771
Energy: 1.2653020944690074
Energy: 1.3493007722878925
Energy: 1.2019809350302162
Energy: 1.3074541676773448
Energy: 1.1944487064862936
Energy: 1.3074541676828835
Energy: 1.2272574795172906
Energy: 1.350247348401827
Energy: 1.3014243624901272
Energy: 1.3502473484051503
Energy: 1.3005843581763032
Energy: 1.322267606909239
Energy: 1.1948839914379057
Energy: 1.3222676069070236
Energy: 1.202339678904764
Energy: 1.249340602983167
Energy: 1.5995391974453768
Energy: 1.2493406029820595
Energy: 1.226762582650621
Energy: 1.2584215537234213
Energy: 1.2104537410323604
Energy: 1.2584215537223136
Energy: 1.2475028176447498
Energy: 1.2485508893090647
Energy: 1.3979804429148006
Energy: 1.2485508893068489
Energy: 1.2266440044466427
Energy: 1.2583442512752716
Energy: 1.2103154784098826
Energy: 1.2583442512774872
Energy: 1.2022176741556274
Energy: 1.4245183316624848
Energy: 1.719830533170759
Energy: 1.4245183316591614
Energy: 1.3005556968183876
Energy: 1.3227202180497892
Energy: 1.1947453966088883
Energy: 1.3227202180520046
Energy: 1.2273827657068508
Energy: 1.3503383260496866
Energy: 1.2906876562245853
Energy: 1.3503383260496866
Energy: 1.2021677281646646
Energy: 1.3077965421768298
Energy: 1.1951608852018125
Energy: 1.3077965421779376
Energy: 1.2023380828124968
Energy: 1.3490949836749109
Energy: 1.219967165434246
Energy: 1.3490949836749109

minimum gb energy = 1.1944487064862936 eV
minimum distance =  2.29958039270686 Angstroms
sigma value = 17


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

Energy: 1.238568252509134
Energy: 1.2396475477809283
Energy: 1.6304769430977952
Energy: 1.2396475477829825
Energy: 1.4107537688378862
Energy: 1.2281101557549263
Energy: 1.2100927598125806
Energy: 1.2281101557576026
Energy: 1.2036950123492864
Energy: 1.3487057958291764
Energy: 1.5154989892095971
Energy: 1.3487057958278073
Energy: 1.3510322969021042
Energy: 1.4175990628103021
Energy: 1.2022206940000268
Energy: 1.417599062813041
Energy: 1.2139277119070209
Energy: 1.3094727974311866
Energy: 1.2980332371058514
Energy: 1.309472797432556
Energy: 1.2197786060225755
Energy: 1.2722006780728188
Energy: 1.209760384503962
Energy: 1.2722006780728188
Energy: 1.2305437949954923
Energy: 1.297657238911974
Energy: 1.2343575691099355
Energy: 1.2976572389112893
Energy: 1.23643235095822
Energy: 1.289841589272941
Energy: 1.2102355401777218
Energy: 1.2898415892736255
Energy: 1.2514041120249748
Energy: 1.4308347311865952
Energy: 1.2911201613669634
Energy: 1.43083473118728
Energy: 1.25410844217562
Energy: 1.2713677071183243
Energy: 1.2162957716737446
Energy: 1.2713677071196938
Energy: 1.2110104645991888
Energy: 1.2595125337507582
Energy: 1.2207227495496116
Energy: 1.2595125337500739
Energy: 1.2131179567660095
Energy: 1.2829065424603985
Energy: 1.2000997323132394
Energy: 1.2829065424603985
Energy: 1.2437255682476531
Energy: 1.4486186598248265
Energy: 1.2094694488536508
Energy: 1.4486186598261956
Energy: 1.2370058469448675
Energy: 1.306562138789978
Energy: 1.2403928487417561
Energy: 1.306562138792032
Energy: 1.2299491036739263
Energy: 1.419299281928542
Energy: 1.2505168276401075
Energy: 1.4192992819251184
Energy: 1.21149534542821
Energy: 1.2354238915245805
Energy: 1.2971041699406594
Energy: 1.2354238915245805
Energy: 1.2161207033378882
Energy: 1.4194310828719472
Energy: 1.208736829800774
Energy: 1.4194310828712624
Energy: 1.1985529489888387
Energy: 1.3525650427302829
Energy: 1.4527232750597718
Energy: 1.3525650427309677
Energy: 1.3946492556527013
Energy: 1.43500858961576
Energy: 1.2095969196443705
Energy: 1.4350085896191835
Energy: 1.2037711022964925
Energy: 1.233863937008291
Energy: 1.3487083840951501
Energy: 1.233863937010345
Energy: 1.2987022302788087
Energy: 1.2207747975246126
Energy: 1.2254332764620264
Energy: 1.2207747975225587
Energy: 1.2264368356654543
Energy: 1.2412548339225495
Energy: 1.4805235610081575
Energy: 1.2412548339246037
Energy: 1.3086736211754433
Energy: 1.4226980305458623
Energy: 1.2058985831142581
Energy: 1.4226980305424388
Energy: 1.2105761056633306
Energy: 1.4431363042459584
Energy: 1.4089948295800878
Energy: 1.4431363042452738
Energy: 1.275752391370971
Energy: 1.3518758802589417
Energy: 1.1992296480811175
Energy: 1.351875880258257
Energy: 1.210181669327537
Energy: 1.3104275428782364
Energy: 1.215748602869571
Energy: 1.3104275428802903
Energy: 1.4094182195865608
Energy: 1.2678477067429859
Energy: 1.2143848155689994
Energy: 1.267847706742301
Energy: 1.2567578926061194
Energy: 1.4190361667912474
Energy: 1.230106639117946
Energy: 1.4190361667939861
Energy: 1.2403246856693768
Energy: 1.306760329226575
Energy: 1.2388978064255336
Energy: 1.3067603292272598
Energy: 1.2109071384489172
Energy: 1.2636746413107522
Energy: 1.2609459337860438
Energy: 1.263674641309383
Energy: 1.200397588411154
Energy: 1.3061366984872331
Energy: 1.1975696353469432
Energy: 1.3061366984879175
Energy: 1.2184224580939804
Energy: 1.2599101054609105
Energy: 1.2079880899958413
Energy: 1.2599101054602257
Energy: 1.2136586965575211
Energy: 1.2720132846759846
Energy: 1.4245790370997669
Energy: 1.272013284682147
Energy: 1.2908934389689548
Energy: 1.430063904210901
Energy: 1.2159580450273344
Energy: 1.4300639042102161
Energy: 1.2085544995214028
Energy: 1.2422363961014167
Energy: 1.2823848874698522
Energy: 1.2422363961007323
Energy: 1.2349432132524376
Energy: 1.299932065929148
Energy: 1.2299981864073743
Energy: 1.2999320659277784
Energy: 1.2059423288177165
Energy: 1.2707840540263846
Energy: 1.2193263375089816
Energy: 1.2707840540250153
Energy: 1.286786780384648
Energy: 1.4520536088092262
Energy: 1.2124322192556576
Energy: 1.4520536088105955

minimum gb energy = 1.1975696353469432 eV
minimum distance =  2.27395251929934 Angstroms
sigma value = 89


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

Energy: 1.106149525401132
Energy: 1.1062984873121477
Energy: 1.3846709040513037
Energy: 1.1062984873121477
Energy: 1.1067873224036493
Energy: 1.1260524726821068
Energy: 1.1264435328595201
Energy: 1.1260524726821068
Energy: 1.123179043295039
Energy: 1.3061081499401686
Energy: 1.8961391076322787
Energy: 1.306108149938377
Energy: 1.1261479541277306
Energy: 1.1259726058332367
Energy: 1.126586161892738
Energy: 1.1259726058332367
Energy: 1.123078033825353
Energy: 1.1064822803695278
Energy: 1.2699269441166299
Energy: 1.1064822803677363
Energy: 1.123139508446085
Energy: 1.1071976410874933
Energy: 1.1106446833549743
Energy: 1.1071976410874933
Energy: 1.1232725196364213
Energy: 1.2733675057456468
Energy: 1.1063646458915222
Energy: 1.2733675057456468
Energy: 1.1899424203675015
Energy: 1.1656591199379573
Energy: 1.1266868894464601
Energy: 1.1656591199200426
Energy: 1.122937121452271
Energy: 1.2147146794864525
Energy: 1.1262159465809727
Energy: 1.2147146794864525
Energy: 1.1260611104230687
Energy: 1.106923637676329
Energy: 1.1234119569518959
Energy: 1.106923637672746
Energy: 1.1060324561177488
Energy: 1.127007955477626
Energy: 1.1229953094103433
Energy: 1.127007955477626
Energy: 1.1060794696120946
Energy: 1.268245784466901
Energy: 1.1265835663500452
Energy: 1.268245784466901
Energy: 1.1232501560971224
Energy: 1.1072359148192232
Energy: 1.1898723986799924
Energy: 1.1072359148174318
Energy: 1.1233062317213043
Energy: 1.211497065540104
Energy: 1.1232638598612859
Energy: 1.211497065540104
Energy: 1.1258172875197083
Energy: 1.1075873801516571
Energy: 1.1229942405555862
Energy: 1.1075873801534486

minimum gb energy = 1.1060324561177488 eV
minimum distance =  2.3083850459451 Angstroms
sigma value = 13


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

Energy: 1.101495902843372
Energy: 1.434773748548188
Energy: 1.2680787456054068
Energy: 1.434773748551942
Energy: 1.2690038611871355
Energy: 1.444840200168962
Energy: 1.0779288834767187
Energy: 1.444840200169713
Energy: 1.0740486869399894
Energy: 1.4436848445366153
Energy: 1.3259654309953206
Energy: 1.4436848445373662
Energy: 1.0764309826150327
Energy: 1.2660027326327505
Energy: 1.0732864788430523
Energy: 1.2660027326319996
Energy: 1.0833029905398774
Energy: 1.3295432205687538
Energy: 1.1556132163067538
Energy: 1.3295432205770137
Energy: 1.0834467708276871
Energy: 1.2671825925436526
Energy: 1.0883577321773668
Energy: 1.2671825925466562
Energy: 1.084190105256329
Energy: 1.4938801280190015
Energy: 1.2478594484846406
Energy: 1.493880128028012
Energy: 1.0875491465590559
Energy: 1.4506570022884977
Energy: 1.0880129622811674
Energy: 1.450657002293754
Energy: 1.0841228482603746
Energy: 1.322321844422482
Energy: 1.35755225227541
Energy: 1.3223218444239837
Energy: 1.2836003031118566
Energy: 1.3380749933079097
Energy: 1.0728396725728662
Energy: 1.338074993317671
Energy: 1.083887352040183
Energy: 1.166882500200472
Energy: 1.0869292014797338
Energy: 1.166882500198219
Energy: 1.424407968742379
Energy: 1.484407928685508
Energy: 1.0819410264500873
Energy: 1.4844079286877607
Energy: 1.116427330350989
Energy: 1.0871022499334264
Energy: 1.123900433288115
Energy: 1.0871022499341774
Energy: 1.4599727282959387
Energy: 1.337039884249761
Energy: 1.0828029242606256
Energy: 1.3370398842392488
Energy: 1.08451062444976
Energy: 1.4503284808569945
Energy: 1.1035750207540966
Energy: 1.4503284808577455
Energy: 1.08043477920278
Energy: 1.1672912372093818
Energy: 1.084842468052022
Energy: 1.167291237211634
Energy: 1.0968915279171678
Energy: 1.1459907437122823
Energy: 1.071298610415711
Energy: 1.1459907437122823
Energy: 1.114186592482539
Energy: 1.1453821379579463
Energy: 1.1016262886991992
Energy: 1.1453821379571953
Energy: 1.0983442195510806
Energy: 1.0885421912668505
Energy: 1.1019268280468042
Energy: 1.0885421912600923
Energy: 1.097430287078376
Energy: 1.0884534482143606
Energy: 1.1014965113820918
Energy: 1.0884534481985921
Energy: 1.1141426548275666
Energy: 1.1453413544924007
Energy: 1.1023358363781592
Energy: 1.1453413544818887
Energy: 1.0960382747700839
Energy: 1.1458727559564585
Energy: 1.0712079392117668
Energy: 1.1458727559504513
Energy: 1.0803508366229033
Energy: 1.1672437932203343
Energy: 1.0848093782691588
Energy: 1.1672437932180821
Energy: 1.0844796848637035
Energy: 1.4496920139362208
Energy: 1.0855251691052392
Energy: 1.4496920139272107
Energy: 1.4601113660045852
Energy: 1.337049930331176
Energy: 1.082766799614568
Energy: 1.3370499303304255
Energy: 1.1164083983275919
Energy: 1.0871088657467587
Energy: 1.0852850487703276
Energy: 1.087108865752015
Energy: 1.1565744870102759
Energy: 1.4840939476917399
Energy: 1.0824613993648693
Energy: 1.4840939476827293
Energy: 1.0844996741085016
Energy: 1.16690810320459
Energy: 1.0787746291556064
Energy: 1.1669081032023376
Energy: 1.2839823808889885
Energy: 1.3384182249627503
Energy: 1.0728511083773171
Energy: 1.3384182249567433
Energy: 1.0847096342363096
Energy: 1.3224602280423616
Energy: 1.2656056437566452
Energy: 1.3224602280318494
Energy: 1.0873220066914562
Energy: 1.4506708657313074
Energy: 1.088086226699314
Energy: 1.4506708657305567
Energy: 1.0839970920549484
Energy: 1.493787323554858
Energy: 1.4362683502755793
Energy: 1.4937873235638683
Energy: 1.0835760080493781
Energy: 1.0893077954733257
Energy: 1.0881294123082719
Energy: 1.089307795476329
Energy: 1.0867107901872084
Energy: 1.3292700629908034
Energy: 1.4354031359713315
Energy: 1.3292700629840457
Energy: 1.0767961782684172
Energy: 1.2643826510375025
Energy: 1.0732920307987328
Energy: 1.2643826510352496

minimum gb energy = 1.0712079392117668 eV
minimum distance =  2.26771945738042 Angstroms
sigma value = 37


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

Energy: 1.0060538617369714
Energy: 1.0065064281102785
Energy: 1.1606250979590262
Energy: 1.0065064281102785
Energy: 1.106086874977571
Energy: 1.122671531292189
Energy: 0.9945698255179181
Energy: 1.122671531293481
Energy: 0.99781901600594
Energy: 1.1440785959196806
Energy: 1.7756260421291996
Energy: 1.1440785959196806
Energy: 0.9838504575441301
Energy: 1.2993336991114128
Energy: 0.9945667551665094
Energy: 1.2993336991114128
Energy: 0.9925687385860116
Energy: 1.2969042614953445
Energy: 0.985525164787234
Energy: 1.2969042614953445
Energy: 1.002293828475658
Energy: 1.1229847076674728
Energy: 0.9865240576521019
Energy: 1.1229847076661812
Energy: 1.0104458108922032
Energy: 1.412024027747904
Energy: 1.2919255843804398
Energy: 1.4120240277453202
Energy: 0.992906337363502
Energy: 1.007185298824469
Energy: 1.010472724114733
Energy: 1.007185298823177
Energy: 0.9926474296748994
Energy: 1.1232051996744583
Energy: 1.475085265781629
Energy: 1.1232051996744583
Energy: 1.3981623290465661
Energy: 1.0061841036354258
Energy: 0.9866195781288107
Energy: 1.0061841036212154
Energy: 1.014324492243958
Energy: 1.1560770734354573
Energy: 0.9836138735850373
Energy: 1.1560770734341652
Energy: 1.3199500361115688
Energy: 1.0066397319771876
Energy: 0.9945497511304656
Energy: 1.0066397319771876
Energy: 0.9831295093212592
Energy: 1.1236216478854846
Energy: 1.0017251103621485
Energy: 1.1236216478854846
Energy: 1.2928336926772006
Energy: 1.409783295957627
Energy: 0.9927120677643801
Energy: 1.4097832959563352
Energy: 1.0064470374831074
Energy: 1.044128831374043
Energy: 0.9929371051258817
Energy: 1.044128831374043
Energy: 1.0069231901853373
Energy: 1.1231559475902824
Energy: 0.9944703363953336
Energy: 1.1231559475902824
Energy: 0.9830978361301436
Energy: 1.0062726234552923
Energy: 1.0465820955186094
Energy: 1.006272623451417
Energy: 0.9834753202646167
Energy: 1.1655572466034807
Energy: 0.9926275192581651
Energy: 1.1655572466047723
Energy: 0.9945251560246436
Energy: 1.0071081654755931
Energy: 0.9929315928923547
Energy: 1.0071081654755931
Energy: 0.9926544002089557
Energy: 1.0076634183800406
Energy: 0.9833395217748405
Energy: 1.0076634183800406

minimum gb energy = 0.9830978361301436 eV
minimum distance =  2.31873044885215 Angstroms
sigma value = 25


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

Energy: 0.9363876386570649
Energy: 1.3497395285948153
Energy: 1.1004896065919336
Energy: 1.349739528595824
Energy: 1.203314807359917
Energy: 1.3542824813601588
Energy: 0.9071840319362027
Energy: 1.3542824813571324
Energy: 0.897939284122839
Energy: 0.8983323222083874
Energy: 1.2076346118729757
Energy: 0.89833232220637
Energy: 0.9844108026713266
Energy: 1.354289279340423
Energy: 0.9052309288067446
Energy: 1.354289279340423
Energy: 0.9057799065606315
Energy: 1.3545281752733012
Energy: 1.0021451329639062
Energy: 1.3545281752743097
Energy: 0.8921853709426318
Energy: 1.3542487673122665
Energy: 0.9045500535803888
Energy: 1.3542487673112578
Energy: 0.9086306580973695
Energy: 1.124359597038478
Energy: 0.9845304088828976
Energy: 1.124359597038478
Energy: 0.9044846966749158
Energy: 1.150427916244377
Energy: 0.9001807728982939
Energy: 1.1504279162433684
Energy: 0.9057061159386668
Energy: 1.3536630973871369
Energy: 1.205538051535985
Energy: 1.3536630973881458
Energy: 0.8982557519501315
Energy: 1.3521057510817667
Energy: 0.9384834197098559
Energy: 1.352105751080758
Energy: 0.9078725486460741
Energy: 0.8986842627000424
Energy: 1.3529771020264152
Energy: 0.8986842627000424
Energy: 1.2035347349296683
Energy: 1.383864363225664
Energy: 0.9001377523252821
Energy: 1.383864363225664
Energy: 0.9059287342721823
Energy: 1.3538950625530168
Energy: 1.2564149438679495
Energy: 1.3538950625499904
Energy: 1.172615556865304
Energy: 1.37206131811783
Energy: 0.9073433571296634
Energy: 1.37206131811783
Energy: 0.9074689067681425
Energy: 0.8987362050973748
Energy: 0.8918999746535473
Energy: 0.8987362050943486
Energy: 1.172517775193071
Energy: 1.2356617070116866
Energy: 0.9054719172534439
Energy: 1.2356617070116866
Energy: 0.9061957302994743
Energy: 1.1503958901901974
Energy: 0.9047446747403435
Energy: 1.1503958901891886
Energy: 1.132126887483664
Energy: 1.3549123484849994
Energy: 0.9043050087900126
Energy: 1.3549123484860082
Energy: 0.9439110520259416
Energy: 1.122643769928407
Energy: 0.8984898767219727
Energy: 1.1226437699294158
Energy: 1.3519088155199706
Energy: 1.2351801869072994
Energy: 0.9055861000413976
Energy: 1.235180186905282
Energy: 0.9052541187280491
Energy: 1.38468640514893
Energy: 0.9299731581127149
Energy: 1.3846864051499388
Energy: 0.8987704172045686
Energy: 1.1350156528268582
Energy: 0.9071063430699956
Energy: 1.135015652827867
Energy: 0.9074625610747894
Energy: 1.3736036082285643
Energy: 1.1718609187939955
Energy: 1.3736036082275553
Energy: 0.8919189609539108
Energy: 1.233705953679504
Energy: 0.9058958065420756
Energy: 1.2337059536815216
Energy: 0.9061717145909618
Energy: 1.2339186895405152
Energy: 1.1721012365511698
Energy: 1.2339186895304275
Energy: 0.8980863149706106
Energy: 0.9372754936409923
Energy: 0.8984936022113637
Energy: 0.9372754936399835

minimum gb energy = 0.8918999746535473 eV
minimum distance =  2.31890709590484 Angstroms
sigma value = 41


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

Energy: 1.1888765967830703
Energy: 1.1907937442972745
Energy: 0.8762217621323679
Energy: 1.1907937442972745
Energy: 1.2504344126751534
Energy: 1.1867339622096755
Energy: 0.8244283919940572
Energy: 1.1867339622113295
Energy: 0.8382165121438055
Energy: 1.185015561996628
Energy: 1.0729252175076898
Energy: 1.185015561997455
Energy: 1.1861344525392366
Energy: 1.1872603758205627
Energy: 0.8246336850957615
Energy: 1.1872603758213898
Energy: 0.8182666780270238
Energy: 1.2019716298405188
Energy: 0.9042835017385679
Energy: 1.2019716298396916
Energy: 1.0039758257762315
Energy: 1.1875452392839787
Energy: 0.8243731651103366
Energy: 1.1875452392864596
Energy: 0.8230734564460597
Energy: 1.1875709173270526
Energy: 0.8907030497404739
Energy: 1.1875709173278794
Energy: 0.8186542120419728
Energy: 1.0149579728495284
Energy: 0.8195445106107865
Energy: 1.0149579728503553
Energy: 0.8276045972413705
Energy: 1.0144037063401272
Energy: 1.1664203312320698
Energy: 1.0144037063393003
Energy: 0.8272980294188282
Energy: 1.1863163868238364
Energy: 0.8396133604470324
Energy: 1.1863163868246636
Energy: 0.823345315754393
Energy: 1.1864382005237146
Energy: 1.3707402893253677
Energy: 1.1864382005253686
Energy: 0.8226862572796594
Energy: 1.1909112055193694
Energy: 1.1900566242685793
Energy: 1.1909112055201962
Energy: 0.827829705835428
Energy: 1.09306303560831
Energy: 1.4708087479847276
Energy: 1.0930630356099638
Energy: 1.065462966478174
Energy: 0.8634079693816302
Energy: 0.8394499225952482
Energy: 0.8634079693700518
Energy: 0.823327447352651
Energy: 1.188236670426359
Energy: 1.1858671753158119
Energy: 1.188236670427186
Energy: 1.0524795447917221
Energy: 1.2100772353332974
Energy: 0.8196544407492282
Energy: 1.2100772353349514
Energy: 0.827489944644321
Energy: 1.0935012879513162
Energy: 1.1059487188107502
Energy: 1.0935012879513162
Energy: 1.0501113985491684
Energy: 0.8440385196465592
Energy: 0.8244182798162161
Energy: 0.8440385196506943
Energy: 0.8231839226579502
Energy: 1.0156393616799966
Energy: 0.8185472701781404
Energy: 1.0156393616791695
Energy: 1.0436648666808273
Energy: 1.0139289066403878
Energy: 0.8309996200629376
Energy: 1.0139289066412147
Energy: 0.8431864495965862
Energy: 1.090604716937608
Energy: 0.8360203925986511
Energy: 1.0906047169384352
Energy: 1.3720159462262962
Energy: 0.8570732664358853
Energy: 0.8247302604781234
Energy: 0.8570732664350583
Energy: 1.1933898966537304
Energy: 1.1936290517052235
Energy: 0.8236317601890955
Energy: 1.1936290517052235
Energy: 1.1907885468339996
Energy: 1.093633803455396
Energy: 0.8299496934863867
Energy: 1.093633803455396
Energy: 0.8434452441580191
Energy: 0.9230653330223771
Energy: 0.8324692463227902
Energy: 0.9230653330232043
Energy: 1.1852524486075582
Energy: 0.8584986382245203
Energy: 0.8242954976959914
Energy: 0.8584986382245203
Energy: 0.8231558196933747
Energy: 1.210870721956646
Energy: 1.052076818270134
Energy: 1.210870721954992
Energy: 0.8196514547322293
Energy: 1.0948706329518982
Energy: 0.8309693219726215
Energy: 1.0948706329535522
Energy: 0.8280070911390949
Energy: 0.9233027438873828
Energy: 1.04998397152844
Energy: 0.9233027438890368
Energy: 0.8179941421000488
Energy: 1.1244323802846719
Energy: 0.82912041374222
Energy: 1.124432380283845
Energy: 0.8312788172557883
Energy: 1.0144712406110337
Energy: 1.0431097092429469
Energy: 1.0144712406143417
Energy: 0.8226847683622329
Energy: 1.0903083164799323
Energy: 0.8485514215589572
Energy: 1.0903083164724894

minimum gb energy = 0.8179941421000488 eV
minimum distance =  2.27055549570867 Angstroms
sigma value = 15


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

Energy: 1.0783942744778314
Energy: 0.7752387027227162
Energy: 0.8805089931018366
Energy: 0.775238702721315
Energy: 1.3876889090847286
Energy: 0.9231037735297203
Energy: 0.7713537938065159
Energy: 0.9231037735192112
Energy: 0.7889384947442797
Energy: 1.066788935633467
Energy: 0.9750677976460453
Energy: 1.0667889356327667
Energy: 1.2302608283885312
Energy: 0.9261342735523667
Energy: 0.7712991702372
Energy: 0.9261342735502649
Energy: 0.7677082310265083
Energy: 0.8416049808457744
Energy: 0.8309318593910126
Energy: 0.8416049808471756
Energy: 1.0657333270803497
Energy: 0.9226343688817339
Energy: 0.7712479677164268
Energy: 0.9226343688824346
Energy: 0.7702973044423999
Energy: 1.0735159932062917
Energy: 0.8181502898659351
Energy: 1.073515993209094
Energy: 0.914949382551264
Energy: 1.0734656976631987
Energy: 0.7711217459895797
Energy: 1.0734656976638992
Energy: 0.7732018761309633
Energy: 0.7818644512938742
Energy: 0.9698020190197371
Energy: 0.7818644512903711
Energy: 0.7586773191490873
Energy: 0.9184772471330402
Energy: 0.7681158615709424
Energy: 0.918477247131639
Energy: 0.7703394341338551
Energy: 0.9218023839699864
Energy: 1.2350555830681191
Energy: 0.9218023839678844
Energy: 0.7666612579697585
Energy: 1.067038094718477
Energy: 0.7899119565801717
Energy: 1.0670380947198783
Energy: 0.7736247548186621
Energy: 0.7821976951851567
Energy: 1.3587988188898017
Energy: 0.782197695187959
Energy: 0.7625890690169648
Energy: 0.7760599038330951
Energy: 1.078920214745009
Energy: 0.7760599038344963
Energy: 0.7704940834726628
Energy: 0.9185084395525386
Energy: 1.4026504340747352
Energy: 0.9185084395587804
Energy: 0.9631784693025762
Energy: 1.067315700017167
Energy: 0.789806186282185
Energy: 1.0673157000157656
Energy: 0.7733660842666108
Energy: 0.7809511538344102
Energy: 1.2310911991040852
Energy: 0.7809511538400149
Energy: 0.9572868753425585
Energy: 0.8456281824440751
Energy: 0.7681995798252153
Energy: 0.8456281824524824
Energy: 0.7704163330609555
Energy: 0.920630416347814
Energy: 1.065822098993509
Energy: 0.920630416347814
Energy: 0.9560102493560485
Energy: 1.0847243678357266
Energy: 0.7709173577506151
Energy: 1.0847243678364273
Energy: 0.7735756247337299
Energy: 0.9386241871946764
Energy: 0.9151146121276927
Energy: 0.9386241871967783
Energy: 0.9492591262047839
Energy: 0.7795589014519754
Energy: 0.7770741409675914
Energy: 0.7795589014519754
Energy: 0.7706151645191062
Energy: 0.9192091830075104
Energy: 0.7579661595322702
Energy: 0.9192091829767476
Energy: 1.2608286047739947
Energy: 0.9196470765544059
Energy: 0.7711684515916587
Energy: 0.919647076635612
Energy: 0.7919403545113023
Energy: 0.9364128435129176
Energy: 0.765240004448517
Energy: 0.9364128435108159
Energy: 1.2357276097008902
Energy: 0.779349258107338
Energy: 0.7768600715414496
Energy: 0.7793492581080386
Energy: 1.0814748489165855
Energy: 0.7692696594753964
Energy: 0.7619107856674214
Energy: 0.7692696594732946
Energy: 1.4014635895701646
Energy: 0.9175089528819662
Energy: 0.7712370987380955
Energy: 0.9175089528896728
Energy: 0.7921262295879604
Energy: 0.8567048102403367
Energy: 0.7643251598239383
Energy: 0.8567048102382349
Energy: 1.06721892951174
Energy: 0.7803337202119512
Energy: 0.7770545270118919
Energy: 0.7803337202091488
Energy: 0.7704345765542474
Energy: 0.8356111720167988
Energy: 0.9574767654571215
Energy: 0.8356111720174993
Energy: 1.0651420608470323
Energy: 0.9176087533002945
Energy: 0.771201651962221
Energy: 0.9176087532995937
Energy: 0.7732095454651114
Energy: 0.8563881292984136
Energy: 0.9550842637408686
Energy: 0.8563881292970122
Energy: 0.7580711862494068
Energy: 0.9366729768746715
Energy: 0.7770831881858681
Energy: 0.9366729768746715
Energy: 0.7623535847692186
Energy: 0.8348731100019704
Energy: 0.9491375098532255
Energy: 0.8348731100047728
Energy: 0.757984919588073
Energy: 0.7712346142915709
Energy: 0.7745071996469705
Energy: 0.771234614289469
Energy: 0.7733835978182882
Energy: 0.856491870487506
Energy: 1.260217859654791
Energy: 0.8564918704896077

minimum gb energy = 0.7579661595322702 eV
minimum distance =  2.31422067958467 Angstroms
sigma value = 85


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

Energy: 0.9987059923861997
Energy: 0.7373475079902246
Energy: 1.047373021170074
Energy: 0.737347507993263
Energy: 1.485411149552986
Energy: 0.8499875958577242
Energy: 0.7033059487580403
Energy: 0.8499875958577242
Energy: 0.9681969242772112
Energy: 0.9700220241250265
Energy: 0.8808342312986089
Energy: 0.9700220241244188
Energy: 1.23873064130918
Energy: 0.8498667179265196
Energy: 0.7034561349672158
Energy: 0.8498667179265196
Energy: 0.7276315461419637
Energy: 0.9527816387092972
Energy: 0.8072714877675903
Energy: 0.9527816387099048
Energy: 1.0972396077399846
Energy: 0.8528780914850131
Energy: 0.7033684457450825
Energy: 0.8528780914850131
Energy: 0.699068082995812
Energy: 0.9846341490362005
Energy: 0.7932256217631228
Energy: 0.984634149036808
Energy: 0.951909272050844
Energy: 0.8497614303456164
Energy: 0.7033388842314777
Energy: 0.849761430344401
Energy: 0.7025363359099978
Energy: 0.9604727749800557
Energy: 0.9209563587299993
Energy: 0.9604727749794479
Energy: 0.820213909519962
Energy: 0.9840311620477882
Energy: 0.7000639630564295
Energy: 0.9840311620471804
Energy: 0.7054613569325684
Energy: 0.8492545630042584
Energy: 1.0494850811575867
Energy: 0.8492545630042584
Energy: 0.6881126319260195
Energy: 0.8485384201491231
Energy: 0.7284621861204782
Energy: 0.8485384201509458
Energy: 0.7023669569493864
Energy: 0.9599496807395078
Energy: 1.2512108182846333
Energy: 0.9599496807395078
Energy: 0.6981540287137421
Energy: 0.9698983194106382
Energy: 0.9690589346654798
Energy: 0.9698983194106382
Energy: 0.705629840212385
Energy: 0.8499003407529404
Energy: 1.351398603278369
Energy: 0.8499003407535479
Energy: 0.6905980962569714
Energy: 0.7366756624421029
Energy: 0.9998092679546356
Energy: 0.73667566244028
Energy: 0.7024825026486087
Energy: 0.9600374217545198
Energy: 1.3515592829291552
Energy: 0.9600374217545198
Energy: 0.8762300372095537
Energy: 0.9694668724339537
Energy: 0.9690414728794798
Energy: 0.9694668724339537
Energy: 0.7055773442233507
Energy: 0.8496070660848619
Energy: 1.2380665093856353
Energy: 0.8496070660890878
Energy: 0.8615161516602433
Energy: 0.7365822623781113
Energy: 0.7286588649497476
Energy: 0.7365822623787189
Energy: 0.7024225933752385
Energy: 0.9599145260150331
Energy: 1.1751725505675223
Energy: 0.9599145260144254
Energy: 0.860149607721754
Energy: 0.9839677532889601
Energy: 0.700009468081882
Energy: 0.9839677532883524
Energy: 0.7053692684002671
Energy: 0.8500041105885441
Energy: 0.9517002143446067
Energy: 0.8500041105885441
Energy: 0.8528963235662416
Energy: 0.7522434242412375
Energy: 0.7032760068890253
Energy: 0.7522434242436681
Energy: 0.7026521874224068
Energy: 0.8487194818458066
Energy: 0.8200722460869757
Energy: 0.848719481845199
Energy: 1.1187988936689521
Energy: 0.8484604020334906
Energy: 0.704049315426633
Energy: 0.8484604020316677
Energy: 0.7312441684472283
Energy: 0.8483776153931658
Energy: 0.6880556363032457
Energy: 0.8483776153931658
Energy: 1.1188565599959113
Energy: 0.7518970771003679
Energy: 0.7033165389148526
Energy: 0.7518970771027984
Energy: 0.9716515904874811
Energy: 0.9696173863863791
Energy: 0.6975509401931496
Energy: 0.9696173863869868
Energy: 1.3509891351429644
Energy: 0.8500855066118802
Energy: 0.7043946928121959
Energy: 0.8500855066112726
Energy: 1.0025552453924553
Energy: 0.7279929836042348
Energy: 0.6906232936018097
Energy: 0.7279929836024119
Energy: 1.2478096673688943
Energy: 0.7520859530379134
Energy: 0.703164699958807
Energy: 0.75208595303366
Energy: 0.9716846028469738
Energy: 0.969779580264632
Energy: 0.6972506110754887
Energy: 0.9697795802652395
Energy: 1.2380712502304043
Energy: 0.8501784268605562
Energy: 0.7041352768568291
Energy: 0.8501784268605562
Energy: 0.7312965048899863
Energy: 0.7287168350895676
Energy: 0.8614669849012001
Energy: 0.7287168350841265
Energy: 0.9526109946577644
Energy: 0.8664802735686069
Energy: 0.7032915519367637
Energy: 0.8664802735704299
Energy: 0.7025138759487876
Energy: 0.9844114319015289
Energy: 0.8598764497659215
Energy: 0.9844114319015289
Energy: 0.9515315544036341
Energy: 0.8500751257935376
Energy: 0.7052541315502748
Energy: 0.8500751257947529
Energy: 0.7056692232343401
Energy: 0.7302390512880856
Energy: 0.852902196617049
Energy: 0.7302390512862628
Energy: 0.6851671698391218
Energy: 1.0011221219844966
Energy: 0.703737103889655
Energy: 1.001122121983889
Energy: 0.7028264775729623
Energy: 0.8477356687310227
Energy: 1.118128988545047
Energy: 0.8477356687267692
Energy: 0.6877784987455029
Energy: 0.8483688717422181
Energy: 0.7344731517581904
Energy: 0.8483688717416104
Energy: 0.7054993883301937
Energy: 0.7283357712559964
Energy: 1.1180659020587054
Energy: 0.7283357712608574

minimum gb energy = 0.6851671698391218 eV
minimum distance =  2.3200382535789 Angstroms
sigma value = 113


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

Energy: 0.02050419222494289
Energy: 0.022891350152770586
Energy: 2.2155204042335552
Energy: 0.022891350153237705
Energy: 1.2299704597261627
Energy: 0.358533459879085
Energy: 0.35953591674864704
Energy: 0.3585334598799674
Energy: 0.02050419222494289
Energy: 0.022891350153237705
Energy: 1.2299868631659396
Energy: 0.022891350153237705
Energy: 1.2299704597261627
Energy: 0.358533459879085
Energy: 0.35953591674771285
Energy: 0.3585334598799674
Energy: 0.02050419222494289
Energy: 0.022891350153704818
Energy: 1.229986863170922
Energy: 0.022891350153237705
Energy: 1.2299704597256957
Energy: 0.358533459879085
Energy: 0.35953591674771285
Energy: 0.3585334598799674

minimum gb energy = 0.02050419222494289 eV
minimum distance =  2.485599017267 Angstroms
sigma value = 1