Model name: model_name=EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_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=3.518121123313904
cohesive_energy=4.385853675361089
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=[2.5086881735172e-19, 3.3309732873850196e-19, 3.959667398566619e-19, 4.4820090247833e-19, 4.8908043929484e-19, 5.20600060215522e-19, 5.45991355511154e-19, 5.67596707420644e-19, 5.8677315955299e-19, 6.040045692516599e-19, 6.19380658408158e-19, 6.330199880933999e-19, 6.451340456230739e-19, 6.5584940295126595e-19, 6.65294234208696e-19, 6.737425115997779e-19, 6.81434561619612e-19, 6.88258231903818e-19, 6.9372485857902595e-19, 6.973217451223559e-19, 6.994686618119159e-19, 7.010580210328439e-19, 7.022163947392259e-19, 7.02636165017334e-19, 7.02184351206546e-19, 7.00753607472384e-19, 6.982285770971999e-19, 6.944923011867119e-19, 6.89439036083076e-19, 6.82958231598546e-19, 6.748816591865519e-19, 6.64938550995948e-19, 6.527315672215019e-19, 6.3768232209834e-19, 6.189624903066839e-19, 5.95452150379368e-19, 5.656821063430139e-19, 5.2724428671672e-19, 4.75924966953066e-19, 4.04539987025196e-19, 3.00110114021076e-19, 1.389683151385848e-19, -1.217865729155688e-19, -5.61101483346408e-19, -1.3278359289601798e-18, -2.68361381841732e-18, -4.94042380330338e-18, -8.80423297385778e-18, -1.579680471882006e-17, -2.9492867478672e-17, -5.933837403448739e-17, -1.346488469333208e-16, -3.67960692294342e-16, -1.3472254705848479e-15]
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: 0.01785871592234981
Energy: 0.15007568906294658
Energy: 0.9483903437907747
Energy: 0.01826822827333169
Energy: 0.15007568906165888
Energy: 1.2901810078611655
Energy: 0.01826822827333169
Energy: 1.290181007739498
Energy: 0.9483903437933501
Energy: 0.01826822827333169
Energy: 0.01785871592234981
Energy: 0.15007568906294658
Energy: 0.01826822827333169
Energy: 1.2901810077906004
Energy: 0.15007568906228433
Energy: 1.2901810077731248

minimum gb energy = 0.01785871592234981 eV
minimum distance =  2.41282727784629 Angstroms
sigma value = 1


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

Energy: 1.773617694241491
Energy: 1.1654431515560064
Energy: 1.1664943426363026
Energy: 1.1175370399496398
Energy: 1.1753599708386149
Energy: 1.2345324343891915
Energy: 1.172810272332373
Energy: 1.2345324343907977
Energy: 1.166919650703142
Energy: 1.1660487920582296
Energy: 1.9158298196123038
Energy: 1.1660487920582296
Energy: 1.167061032348739
Energy: 1.1508049860399832
Energy: 1.149173798957977
Energy: 1.1508049860399832
Energy: 1.6504120893546845
Energy: 1.1524644942234021
Energy: 1.1536420066493007
Energy: 1.1524644942250086
Energy: 1.1629585402091602
Energy: 1.1786116312980441
Energy: 1.1502732500454829
Energy: 1.1786116312940282
Energy: 1.2259531923564846
Energy: 1.2830526211895277
Energy: 1.2280772115869487
Energy: 1.2830526211927402
Energy: 1.2291062310799195
Energy: 1.1759566751133732
Energy: 1.179073831428196
Energy: 1.1759566751109636
Energy: 1.4292006429735646
Energy: 1.3739724386757282
Energy: 1.2406960829723561
Energy: 1.3739724386789407
Energy: 1.2389429854895955
Energy: 1.2651748148524737
Energy: 1.2387046789751395
Energy: 1.2651748148548834
Energy: 1.238153075319382
Energy: 1.373277869904084
Energy: 1.2472578608609837
Energy: 1.3732778699032808
Energy: 1.240201127367953
Energy: 1.3718711809554711
Energy: 1.1812787787403927
Energy: 1.371871180953865
Energy: 1.2582443364185616
Energy: 1.283113603981455
Energy: 1.2248609655791798
Energy: 1.283113603981455
Energy: 1.1624778434469816
Energy: 1.2836221389850158
Energy: 1.21534149112173
Energy: 1.2836221389874254
Energy: 1.1876513359574408
Energy: 1.1515499697133047
Energy: 1.1509408379456552
Energy: 1.1515499697181237
Energy: 1.1126032724747754
Energy: 1.1514708121110013
Energy: 1.1502657624763808
Energy: 1.1514708121118045
Energy: 1.1648091843255837
Energy: 1.1662594153962293
Energy: 1.1111674166756695
Energy: 1.1662594153930166
Energy: 1.1751239476469095
Energy: 1.1515700582025377
Energy: 1.2152198381098092
Energy: 1.1515700582009316
Energy: 1.1492394332707647
Energy: 1.1665236450169563
Energy: 1.1657650964493413
Energy: 1.1665236450209722
Energy: 1.172109641358242
Energy: 1.1511353579360117
Energy: 1.1699320010239656
Energy: 1.1511353579336023
Energy: 1.1519030364504657
Energy: 1.15198227696348
Energy: 1.2247098077756307
Energy: 1.1519822769658894
Energy: 1.150894107221905
Energy: 1.1517525495744907
Energy: 1.161596627203288
Energy: 1.151752549576097
Energy: 1.2253789378243887
Energy: 1.2837561017395518
Energy: 1.2209884125901136
Energy: 1.283756101740355
Energy: 1.1790815989027685
Energy: 1.2844280372571064
Energy: 1.2335861287013634
Energy: 1.284428037260319
Energy: 1.2405624282804402
Energy: 1.3719691741832079
Energy: 1.43131965678712
Energy: 1.3719691741832079
Energy: 1.2418322323965725
Energy: 1.372732658436689
Energy: 1.2411072056211097
Energy: 1.3727326584374921
Energy: 1.4391792726217816
Energy: 1.37036041935136
Energy: 1.2363178495449274
Energy: 1.370360419350557
Energy: 1.181791829323952
Energy: 1.3725502313330535
Energy: 1.239724985809183
Energy: 1.3725502313322504
Energy: 1.2357242224089502
Energy: 1.2832056692394886
Energy: 1.2572609800742636
Energy: 1.2832056692427014
Energy: 1.2156103522151216
Energy: 1.2836417036331216
Energy: 1.1635170640132455
Energy: 1.2836417036331216
Energy: 1.1498912119999123
Energy: 1.151339656773262
Energy: 1.1872673478329303
Energy: 1.1513396567748686
Energy: 1.1498764230388587
Energy: 1.1517815850460789
Energy: 1.112956717028305
Energy: 1.1517815850476851
Energy: 1.111238568154141
Energy: 1.1663915639837015
Energy: 1.1657462222432768
Energy: 1.1663915639845046

minimum gb energy = 1.1111674166756695 eV
minimum distance =  2.19769466010646 Angstroms
sigma value = 1


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

Energy: 1.9955271519136681
Energy: 1.229073626107512
Energy: 1.2305588259897942
Energy: 1.17353464997155
Energy: 1.2389875461727902
Energy: 1.3000757362806277
Energy: 1.2396103371126401
Energy: 1.3000757362815434
Energy: 1.2280970798040587
Energy: 1.2299295871716833
Energy: 1.2136204930953791
Energy: 1.2299295871790092
Energy: 1.2305740178451803
Energy: 1.2155566740386432
Energy: 1.2400345313475953
Energy: 1.2155566740377275
Energy: 1.8337021055630593
Energy: 1.2161290868239858
Energy: 1.2154456397816422
Energy: 1.2161290868212389
Energy: 1.227302424251807
Energy: 1.2167957658729072
Energy: 1.214466398073081
Energy: 1.216795765871076
Energy: 1.2214495709658422
Energy: 1.3695863022986785
Energy: 1.303285207758365
Energy: 1.3695863022922683
Energy: 1.2297756259413322
Energy: 1.3780865125336754
Energy: 1.2467610078242204
Energy: 1.3780865125345911
Energy: 1.239743643778699
Energy: 1.4535111588770167
Energy: 1.3133989595109954
Energy: 1.4535111588797636
Energy: 1.2497860453011915
Energy: 1.455573470676777
Energy: 1.3168631220080071
Energy: 1.4555734706740298
Energy: 1.2610925759011629
Energy: 1.3695155098991072
Energy: 1.3494166760255653
Energy: 1.3695155098908653
Energy: 1.2968681453770943
Energy: 1.3699781198088803
Energy: 1.2276595077691879
Energy: 1.3699781198070489
Energy: 1.216291094380781
Energy: 1.2168124713012205
Energy: 1.2613867731704973
Energy: 1.2168124712938948
Energy: 1.2145350469675087
Energy: 1.2154076889366106
Energy: 1.1675676960372747
Energy: 1.215407688926538
Energy: 1.1660125285596687
Energy: 1.2286248185266488
Energy: 1.2288232656228124
Energy: 1.2286248185312276
Energy: 1.284783902922758
Energy: 1.222293639767609
Energy: 1.2390771117335058
Energy: 1.222293639767609
Energy: 1.2302936735830612
Energy: 1.2296067560833648
Energy: 1.2131908462246757
Energy: 1.22960675607146
Energy: 1.2308784178242251
Energy: 1.2259242253997402
Energy: 1.22761099576634
Energy: 1.2259242253960771
Energy: 1.213671718220385
Energy: 1.2173664639749613
Energy: 1.2176262309673365
Energy: 1.2173664639859503
Energy: 1.2297940268888212
Energy: 1.215743183311198
Energy: 1.215213459203783
Energy: 1.2157431833066192
Energy: 1.221458841619306
Energy: 1.3695523762566715
Energy: 1.3044286700697165
Energy: 1.3695523762585027
Energy: 1.229351720016907
Energy: 1.3722054985975691
Energy: 1.24648209967669
Energy: 1.3722054985994008
Energy: 1.240424258251938
Energy: 1.4541376267218311
Energy: 1.31512213856909
Energy: 1.4541376267282415
Energy: 1.2472695131535536
Energy: 1.4549510724117434
Energy: 1.3158583326258224
Energy: 1.4549510724144905
Energy: 1.3104024392970643
Energy: 1.3694682007061558
Energy: 1.3511926227905564
Energy: 1.3694682007189762
Energy: 1.297857599710686
Energy: 1.37004045131541
Energy: 1.228859770679189
Energy: 1.3700404513172415
Energy: 1.215274400669447
Energy: 1.2163479717650414
Energy: 1.2609581750411452
Energy: 1.2163479717613783
Energy: 1.214676603072201
Energy: 1.2164960090886943
Energy: 1.1679850216223826
Energy: 1.2164960090850314
Energy: 1.1658144537119577
Energy: 1.2293924365117614
Energy: 1.229824435698637
Energy: 1.2293924365126772

minimum gb energy = 1.1658144537119577 eV
minimum distance =  2.19513502899733 Angstroms
sigma value = 25


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

Energy: 1.9029695205498947
Energy: 1.3014143110339298
Energy: 1.300962413633559
Energy: 1.237125143595558
Energy: 1.3142301483569883
Energy: 1.3726759518498224
Energy: 1.3144781683403954
Energy: 1.3726759518498224
Energy: 1.3005018489982183
Energy: 1.300524270094381
Energy: 1.7455252688606153
Energy: 1.3005242700933168
Energy: 1.3023629877615148
Energy: 1.373641233064211
Energy: 1.3166369927126207
Energy: 1.3736412330631464
Energy: 1.289267680142796
Energy: 1.2928847922484106
Energy: 1.2935615038240997
Energy: 1.2928847922473463
Energy: 1.3032405846620785
Energy: 1.2934199746193118
Energy: 1.2923998123730571
Energy: 1.293419974620376
Energy: 1.2996412111222966
Energy: 1.4751471425452292
Energy: 1.4644662320359965
Energy: 1.4751471425452292
Energy: 1.3045505086350577
Energy: 1.484974050611479
Energy: 1.252181220325407
Energy: 1.484974050613608
Energy: 1.4750616372579715
Energy: 1.4750188356881022
Energy: 1.3729808951194538
Energy: 1.4750188356891663
Energy: 1.305190985036059
Energy: 1.475620232673039
Energy: 1.2934802564891905
Energy: 1.4756202326741037
Energy: 1.2280327435764298
Energy: 1.293379475947556
Energy: 1.293630811549395
Energy: 1.293379475947556
Energy: 1.228702515354637
Energy: 1.292837114441053
Energy: 1.2924300268147078
Energy: 1.2928371144399886
Energy: 1.300614826591259
Energy: 1.3007538995726142
Energy: 1.2269765507618258
Energy: 1.3007538995726142
Energy: 1.3146296470850394
Energy: 1.3035667768897272
Energy: 1.3655628044038728
Energy: 1.3035667768886627
Energy: 1.2891745680287814
Energy: 1.3002840478531017
Energy: 1.3035950652106087
Energy: 1.3002840478499083
Energy: 1.300345364364224
Energy: 1.3026707839414475
Energy: 1.302472120735814
Energy: 1.3026707839382539
Energy: 1.307175247494922
Energy: 1.2927541931388988
Energy: 1.288987406797925
Energy: 1.2927541931399635
Energy: 1.3091327676990745
Energy: 1.2919985272298133
Energy: 1.3008886098626
Energy: 1.291998527228749
Energy: 1.465521237940763
Energy: 1.4759127567109465
Energy: 1.3017893265359999
Energy: 1.4759127567109465
Energy: 1.2529665979895772
Energy: 1.479534595150275
Energy: 1.3045636437365795
Energy: 1.4795345951513392
Energy: 1.3741423579939926
Energy: 1.4747936758129347
Energy: 1.4718240343724323
Energy: 1.4747936758118703
Energy: 1.3067647301888285
Energy: 1.4760616338510233
Energy: 1.3060893894339367
Energy: 1.4760616338499588
Energy: 1.293172758542195
Energy: 1.2930366144020675
Energy: 1.2279738295807228
Energy: 1.2930366144020675
Energy: 1.2915766946337381
Energy: 1.2932209261856826
Energy: 1.229012286815168
Energy: 1.2932209261867469
Energy: 1.2264672546449389
Energy: 1.3026181381803716
Energy: 1.3022281760438263
Energy: 1.3026181381803716

minimum gb energy = 1.2264672546449389 eV
minimum distance =  2.21153737713146 Angstroms
sigma value = 9


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

Energy: 1.9013365537811693
Energy: 1.4073890897573786
Energy: 1.4087581678000054
Energy: 1.3545507260919245
Energy: 1.404867706674794
Energy: 1.4747110917621253
Energy: 1.4053719642628546
Energy: 1.474711091767205
Energy: 1.4055606575084119
Energy: 1.405051586681864
Energy: 1.4448460949598743
Energy: 1.405051586683134
Energy: 1.4061768104315508
Energy: 1.4755733605306443
Energy: 1.404166052490174
Energy: 1.4755733605306443
Energy: 1.6977144779333415
Energy: 1.4041782661422784
Energy: 1.406423873626737
Energy: 1.4041782661422784
Energy: 1.4031670576360906
Energy: 1.4030758239957848
Energy: 1.4036504171301607
Energy: 1.4030758239970547
Energy: 1.4493777221407844
Energy: 1.5918081721646247
Energy: 1.3483279250182034
Energy: 1.5918081721658943
Energy: 1.471578261441139
Energy: 1.594336025061063
Energy: 1.4923422044448413
Energy: 1.594336025061063
Energy: 1.4680114700403029
Energy: 1.467692079018544
Energy: 1.3430469141327288
Energy: 1.4676920790160042
Energy: 1.4715397493109266
Energy: 1.4807943126742003
Energy: 1.343183678246029
Energy: 1.4807943126716607
Energy: 1.293643163758383
Energy: 1.3172841539765434
Energy: 1.316391027365422
Energy: 1.3172841539790832
Energy: 1.4566143624517616
Energy: 1.2951429794409175
Energy: 1.317322729573032
Energy: 1.2951429794396476
Energy: 1.462832245596962
Energy: 1.4627374538679976
Energy: 1.444165588780432
Energy: 1.4627374538679976
Energy: 1.4620901386304113
Energy: 1.480490418059984
Energy: 1.4285510980799134
Energy: 1.480490418056203
Energy: 1.346920868675061
Energy: 1.454191770698881
Energy: 1.3946690813853964
Energy: 1.4541917707014207
Energy: 1.4095324571250836
Energy: 1.4475156315615163
Energy: 1.3939194986275922
Energy: 1.447515631562786
Energy: 1.4494105504464536
Energy: 1.607078162076075
Energy: 1.642978974939286
Energy: 1.6070781620709955
Energy: 1.4497226458196397
Energy: 1.6042281655109556
Energy: 1.3940261992664171
Energy: 1.6042281655084158
Energy: 1.408358930635516
Energy: 1.4096017847862214
Energy: 1.342968594554659
Energy: 1.4096017847900022
Energy: 1.4197757788389962
Energy: 1.4091732662155811
Energy: 1.3429804336135274
Energy: 1.409173266216851
Energy: 1.3432385132526103
Energy: 1.405705453639068
Energy: 1.4057038644573123
Energy: 1.405705453640338

minimum gb energy = 1.293643163758383 eV
minimum distance =  2.19185703474964 Angstroms
sigma value = 25


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

Energy: 1.6063078909687962
Energy: 1.480072683064745
Energy: 1.480453784635309
Energy: 1.3887622250161138
Energy: 1.4777921758024533
Energy: 1.4940303697561241
Energy: 1.479496083099884
Energy: 1.4940303697545538
Energy: 1.4790762997240898
Energy: 1.4772966328938868
Energy: 1.4809904257084916
Energy: 1.4772966328938868
Energy: 1.4794651590924268
Energy: 1.493920752837275
Energy: 1.4161595557727422
Energy: 1.493920752837275
Energy: 1.4893300245009933
Energy: 1.4987343609599244
Energy: 1.4146138955556584
Energy: 1.4987343609520722
Energy: 1.3814923783732382
Energy: 1.4156314527761764
Energy: 1.4139474639764442
Energy: 1.4156314527761764
Energy: 1.3726031381569437
Energy: 1.4988873026616427
Energy: 1.4940774081327457
Energy: 1.4988873026616427
Energy: 1.3735929679734704
Energy: 1.4933160951862396
Energy: 1.4165049563079615
Energy: 1.4933160951878102
Energy: 1.4744935015796847
Energy: 1.4754417419769392
Energy: 1.568608549393813
Energy: 1.4754417419785097
Energy: 1.4803993820392076
Energy: 1.381154810041225
Energy: 1.5675723207128474
Energy: 1.3811548100427953
Energy: 1.4716093343626673
Energy: 1.4751991887218894
Energy: 1.4857548255156525
Energy: 1.4751991887218894
Energy: 1.4763061224914973
Energy: 1.4747534298463696
Energy: 1.474453111296211
Energy: 1.4747534298463696
Energy: 1.4151398916733622
Energy: 1.6116783592493822
Energy: 1.4890092264920913
Energy: 1.6116783592493822
Energy: 1.4148932393351943
Energy: 1.4991488868601484
Energy: 1.4781670314966096
Energy: 1.499148886858578
Energy: 1.4949204436305294
Energy: 1.4977192439756362
Energy: 1.3734847433251849
Energy: 1.4977192439803477
Energy: 1.415867856384676
Energy: 1.602122673753319
Energy: 1.3728476972480956
Energy: 1.602122673753319
Energy: 1.566285569390087
Energy: 1.4760577608187186
Energy: 1.4737209420181734
Energy: 1.4760577608187186

minimum gb energy = 1.3726031381569437 eV
minimum distance =  2.2164050873743 Angstroms
sigma value = 17


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

Energy: 2.088854819875129
Energy: 1.5979676802898972
Energy: 1.597919943545122
Energy: 1.5294352071314927
Energy: 1.4689211572924765
Energy: 1.4715114854593472
Energy: 1.5985394059107556
Energy: 1.471511485460237
Energy: 1.4710877655511387
Energy: 1.4707962627284554
Energy: 1.6015830485653064
Energy: 1.4707962627284554
Energy: 1.4705357337136176
Energy: 1.469214992074209
Energy: 1.4692817211053517
Energy: 1.4692149920715407
Energy: 1.6734592172405993
Energy: 1.630573686833824
Energy: 1.41978522895169
Energy: 1.630573686833824
Energy: 1.4692127177152314
Energy: 1.5812489764482007
Energy: 1.4703008948895406
Energy: 1.58124897644909
Energy: 1.5127368421262577
Energy: 1.4686382065919008
Energy: 1.4710322975358436
Energy: 1.4686382065919008
Energy: 1.6661855091115156
Energy: 1.4687969134308432
Energy: 1.4700048075365741
Energy: 1.4687969134317322
Energy: 1.6018066745714612
Energy: 1.5896826210318735
Energy: 1.5992468674292377
Energy: 1.589682621029205
Energy: 1.5866229304814903
Energy: 1.588040755559671
Energy: 1.5980015889150765
Energy: 1.5880407555587814
Energy: 1.6580228646800914
Energy: 1.4240138322085465
Energy: 1.4461567911114936
Energy: 1.4240138322529778
Energy: 1.591937234464703
Energy: 1.4898045719179616
Energy: 1.4491474273954563
Energy: 1.4898045719268558
Energy: 1.51375354565697
Energy: 1.4860067200038445
Energy: 1.4867862312345206
Energy: 1.4860067199486995
Energy: 1.5131734064203601
Energy: 1.4880538532498089
Energy: 1.4474948886124122
Energy: 1.4880538533093608
Energy: 1.5884217098351427
Energy: 1.5879835464331133
Energy: 1.667190951387324
Energy: 1.5879835464322238
Energy: 1.6040480261411154
Energy: 1.5869914630144368
Energy: 1.6649376456724636
Energy: 1.5869914630153261
Energy: 1.5967368869790475
Energy: 1.4689681937235957
Energy: 1.4685021218214103
Energy: 1.4689681937235957
Energy: 1.5960342124096032
Energy: 1.4692005812775482
Energy: 1.4666854394041726
Energy: 1.4692005812757691
Energy: 1.4698463027988977
Energy: 1.6314061351711562
Energy: 1.4684633572297567
Energy: 1.6314061351711562
Energy: 1.5508170444955238
Energy: 1.5838175234656597
Energy: 1.468269720765619
Energy: 1.5838175234701068
Energy: 1.4693317107849793
Energy: 1.4693662131833003
Energy: 1.6605383011143444
Energy: 1.4693662131859686
Energy: 1.4708288264145517
Energy: 1.4717637459837292
Energy: 1.77122952140182
Energy: 1.4717637459846187
Energy: 1.5981539507171507
Energy: 1.5874835397034923
Energy: 1.598792728996553
Energy: 1.5874835397070501
Energy: 1.5997142621080276
Energy: 1.5900506059822275
Energy: 1.5899969538652403
Energy: 1.5900506059786699
Energy: 1.447660178023119
Energy: 1.486740017426785
Energy: 1.5962710661655088
Energy: 1.4867400175014978
Energy: 1.449091583010019
Energy: 1.487075410915658
Energy: 1.4658813555486465
Energy: 1.48707541100634
Energy: 1.4454583221159538
Energy: 1.449563626658562
Energy: 1.51656190606192
Energy: 1.4495636266576728
Energy: 1.448368697344696
Energy: 1.4897633142392321
Energy: 1.5134714281363313
Energy: 1.4897633142427902
Energy: 1.4474287882781525
Energy: 1.5635130765998992
Energy: 1.5142835320029482
Energy: 1.5635130766879133
Energy: 1.6622053947983129
Energy: 1.5915772600966915
Energy: 1.5965412422258334
Energy: 1.591577260094023

minimum gb energy = 1.41978522895169 eV
minimum distance =  2.17908852290492 Angstroms
sigma value = 53


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

Energy: 1.9060735779606144
Energy: 1.5450724028749754
Energy: 1.5466579616918519
Energy: 1.3953555448439914
Energy: 1.5250595422410456
Energy: 1.526659608817662
Energy: 1.5277294223337263
Energy: 1.5266596088156148
Energy: 1.5257853643373267
Energy: 1.5289293971487603
Energy: 1.6375508978457047
Energy: 1.5289293971467124
Energy: 1.5300597919471435
Energy: 1.4843062119088932
Energy: 1.5257977023033569
Energy: 1.4843062119047976
Energy: 1.5450467013489733
Energy: 1.4831211336988324
Energy: 1.3843519441436583
Energy: 1.4831211337008798
Energy: 1.5233391219701107
Energy: 1.4851455327409193
Energy: 1.3796360211521677
Energy: 1.4851455327368244
Energy: 1.6593875808086673
Energy: 1.5261625373815575
Energy: 1.5273460306928601
Energy: 1.52616253737951
Energy: 1.6581564924038013
Energy: 1.5242120425030674
Energy: 1.5230838237511735
Energy: 1.5242120425030674
Energy: 1.5307484460678558
Energy: 1.5267690453280003
Energy: 1.5409584698306074
Energy: 1.5267690453218574
Energy: 1.5231833556031853
Energy: 1.5244136674105573
Energy: 1.527256061120835
Energy: 1.5244136674085096
Energy: 1.5292238287509619
Energy: 1.4862222181297684
Energy: 1.3967547043859698
Energy: 1.4862222181277205
Energy: 1.5290736582172193
Energy: 1.4829172514427513
Energy: 1.3782866129379752
Energy: 1.4829172514427513
Energy: 1.6581329854102465
Energy: 1.5256609308935662
Energy: 1.5220886808281093
Energy: 1.5256609308874236

minimum gb energy = 1.3782866129379752 eV
minimum distance =  2.21087735716274 Angstroms
sigma value = 9


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

Energy: 1.8655196000435628
Energy: 1.6901754687715356
Energy: 1.69385607187982
Energy: 1.591633069409154
Energy: 1.4717814207182014
Energy: 1.4739621149843298
Energy: 1.670809564792999
Energy: 1.4739621170842325
Energy: 1.480436376872431
Energy: 1.475463445471223
Energy: 1.762593147499148
Energy: 1.4754634454674338
Energy: 1.4761793108351862
Energy: 1.4734469969443007
Energy: 1.7292848785880857
Energy: 1.4734469969465742
Energy: 1.4716516113728757
Energy: 1.4714750021982195
Energy: 1.7239874539260176
Energy: 1.4714750021967038
Energy: 1.472192690013113
Energy: 1.472346580102289
Energy: 1.724719316851433
Energy: 1.4723465801053208
Energy: 1.6690482799658444
Energy: 1.6510945185174497
Energy: 1.6728104850959429
Energy: 1.6510945185197234
Energy: 1.6686251780425316
Energy: 1.6508957262495978
Energy: 1.6515862387154674
Energy: 1.6508957262488397
Energy: 1.5229338122522689
Energy: 1.647474453192784
Energy: 1.5609755630799633
Energy: 1.6474744531942997
Energy: 1.4701795646054883
Energy: 1.5641237834075554
Energy: 1.6528823991315473
Energy: 1.5641237842696598
Energy: 1.52055485973179
Energy: 1.520854753093907
Energy: 1.5708889285161747
Energy: 1.5208547530946646
Energy: 1.5349200129679479
Energy: 1.5214714931009639
Energy: 1.7229432443298272
Energy: 1.521471493101722
Energy: 1.668988436575279
Energy: 1.5213098880785105
Energy: 1.5424728440931186
Energy: 1.521309888080026
Energy: 1.670750011975545
Energy: 1.5211357666849317
Energy: 1.5240762195567847
Energy: 1.5211357666849317
Energy: 1.6511681190864829
Energy: 1.5351557731792527
Energy: 1.5322720075781586
Energy: 1.535155773307263
Energy: 1.5710955106155364
Energy: 1.6372681793731614
Energy: 1.5326561323948016
Energy: 1.6372681793655826
Energy: 1.657017657620249
Energy: 1.5997990845053216
Energy: 1.5230844257190896
Energy: 1.5997990845007746
Energy: 1.6519133814908458
Energy: 1.6547948816904932
Energy: 1.8658894436944304
Energy: 1.6547948817003453
Energy: 1.6710848422651703
Energy: 1.652992592005946
Energy: 1.5236286813659283
Energy: 1.652992202858868
Energy: 1.7693007937095215
Energy: 1.4773742884774035
Energy: 1.4749122250080944
Energy: 1.477374288479677
Energy: 1.7687682210280717
Energy: 1.4711430476100442
Energy: 1.4736844589763902
Energy: 1.4711430476130753
Energy: 1.724608516760572
Energy: 1.46945401983998
Energy: 1.4708554618065617
Energy: 1.4694540198377064
Energy: 1.7239190986482407
Energy: 1.4715797962617185
Energy: 1.471719574681083
Energy: 1.4715797962670236
Energy: 1.6758400591733509
Energy: 1.650716070858339
Energy: 1.6694112443269364
Energy: 1.650716070857581
Energy: 1.6517111608595632
Energy: 1.6502030369312255
Energy: 1.669018847712612
Energy: 1.6502030369312255
Energy: 1.535876776465978
Energy: 1.6378497430812902
Energy: 1.5218553833152175
Energy: 1.637849743083564
Energy: 1.652599562476756
Energy: 1.5749131768237667
Energy: 1.4697322218143802
Energy: 1.5749131806841181
Energy: 1.570943597109839
Energy: 1.5218817743658744
Energy: 1.5206596393818217
Energy: 1.521881774368906
Energy: 1.8702555781319963
Energy: 1.530801583049656
Energy: 1.5333344212807183
Energy: 1.5308015830504134
Energy: 1.540760577606468
Energy: 1.5219239580115824
Energy: 1.6696196587610124
Energy: 1.5219239580138562
Energy: 1.5261589214246454
Energy: 1.5217573081782716
Energy: 1.6476127470177966
Energy: 1.5217573081767557
Energy: 1.5273695761979875
Energy: 1.5245579894908743
Energy: 1.6518449961702455
Energy: 1.5245579894908743
Energy: 1.534217613959728
Energy: 1.6385394803505309
Energy: 1.5738053006577497
Energy: 1.6385394803490154
Energy: 1.5218597948929755
Energy: 1.6023652933802974
Energy: 1.5790906123439545
Energy: 1.6023652933810553
Energy: 1.8658741176257294
Energy: 1.6511979286269827
Energy: 1.6512232047255009
Energy: 1.6511979286269827

minimum gb energy = 1.4694540198377064 eV
minimum distance =  2.17950122129017 Angstroms
sigma value = 73


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

Energy: 2.0002144238823187
Energy: 1.599324705302601
Energy: 1.655143273330143
Energy: 1.5378016844474232
Energy: 1.4907493897960615
Energy: 1.7759318783444737
Energy: 1.6023495714717002
Energy: 1.775931878574025
Energy: 1.4959830612773248
Energy: 1.494108235662195
Energy: 1.709743025964155
Energy: 1.494108235662195
Energy: 1.4951167178316602
Energy: 1.4920324190971572
Energy: 1.7186525012850131
Energy: 1.4920324190935772
Energy: 1.4906338781119481
Energy: 1.4912203034944447
Energy: 1.7442974675423326
Energy: 1.4912203034956468
Energy: 1.581257577190895
Energy: 1.491040032588251
Energy: 1.6731593004287622
Energy: 1.491040032588251
Energy: 1.5917783599947817
Energy: 1.6355442915640974
Energy: 1.6632986878297096
Energy: 1.6355442915604903
Energy: 1.6220507590191364
Energy: 1.635669277414974
Energy: 1.6356894520015512
Energy: 1.6356692774137718
Energy: 1.5606864054512
Energy: 1.6342765226392995
Energy: 1.709616456944589
Energy: 1.6342619016193434
Energy: 1.5492073762143708
Energy: 1.4681833494546845
Energy: 1.6368825845667514
Energy: 1.4681833494546845
Energy: 1.5660021300463336
Energy: 1.4656228513575833
Energy: 1.521058380380267
Energy: 1.4656228513563812
Energy: 1.5461019366932998
Energy: 1.4646426910069665
Energy: 1.7850774545002084
Energy: 1.4646426910069665
Energy: 1.6405243590293983
Energy: 1.5784940504529874
Energy: 1.5208242606412592
Energy: 1.5784940504565945
Energy: 1.639911368133776
Energy: 1.529107781652452
Energy: 1.5267061564511117
Energy: 1.5291077815899539
Energy: 1.677629144010138
Energy: 1.5234581832133849
Energy: 1.5233743224350518
Energy: 1.5234581832121823
Energy: 1.7059323639683082
Energy: 1.521750070532058
Energy: 1.5234875632193452
Energy: 1.5217500705296532
Energy: 1.7367833159825659
Energy: 1.7520520430821913
Energy: 1.5247816795114377
Energy: 1.7520520430857986
Energy: 1.6114709485773082
Energy: 1.6101334882592453
Energy: 1.5914372101810796
Energy: 1.6101334882568403
Energy: 1.60638797059368
Energy: 1.6076630706713428
Energy: 1.6218828316840008
Energy: 1.6076630706761523
Energy: 1.6577667669484348
Energy: 1.6052091618513948
Energy: 1.5994867807298694
Energy: 1.6052091618489899
Energy: 1.6065067400729043
Energy: 1.6067187259438855
Energy: 1.5247185082105288
Energy: 1.6067187259414808
Energy: 1.7415896984019927
Energy: 1.5985570983802313
Energy: 1.5988858875754217
Energy: 1.5985570983838384

minimum gb energy = 1.4646426910069665 eV
minimum distance =  2.16938784659719 Angstroms
sigma value = 7


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

Energy: 2.344581135090292
Energy: 1.6654546503629497
Energy: 1.6647278142571311
Energy: 1.5034331789955875
Energy: 1.4873252925208482
Energy: 1.5901960600925928
Energy: 1.600483781009421
Energy: 1.5901960600730762
Energy: 1.483078221726858
Energy: 1.4833451266751612
Energy: 1.6107258478513156
Energy: 1.4833451266794122
Energy: 1.4864585071572587
Energy: 1.485046691190444
Energy: 1.7407182186055663
Energy: 1.485046691179391
Energy: 1.4849275319456987
Energy: 1.4837173826860828
Energy: 1.6746750713277645
Energy: 1.4837173826886336
Energy: 1.4894598234314567
Energy: 1.4854036109546258
Energy: 1.6827193875096964
Energy: 1.4854036109503745
Energy: 1.669591089830199
Energy: 1.4838883627989756
Energy: 1.4868694197260506
Energy: 1.4838883627964636
Energy: 1.6685638968251622
Energy: 1.489963167120388
Energy: 1.4892135174271321
Energy: 1.489963167121238
Energy: 1.7447661674066086
Energy: 1.4866328610417554
Energy: 1.4896023207417304
Energy: 1.4866328610417554
Energy: 1.7385386479026006
Energy: 1.6769835849961205
Energy: 1.4852234301410543
Energy: 1.6769835679556482
Energy: 1.594098006228461
Energy: 1.5961805949360015
Energy: 1.630852299429712
Energy: 1.5961805949308998
Energy: 1.5964192003830697
Energy: 1.593093342313668
Energy: 1.669609542416355
Energy: 1.593093342309417
Energy: 1.589563748842115
Energy: 1.5936466272433898
Energy: 1.592965582650979
Energy: 1.5936466272433898
Energy: 1.5956251683315474
Energy: 1.5825306268038355
Energy: 1.5005708600656247
Energy: 1.5825306267826182
Energy: 1.5937995089119008
Energy: 1.5916728343211932
Energy: 1.4976953406563425
Energy: 1.5916728203214676
Energy: 1.6599652052646583
Energy: 1.5911867169281435
Energy: 1.5944275099947864
Energy: 1.5911867169238925
Energy: 1.7338874347423878
Energy: 1.5937534782844864
Energy: 1.7408911932906848
Energy: 1.5937534782929887
Energy: 1.4856738651051977
Energy: 1.6760891274793455
Energy: 1.6134080405675857
Energy: 1.676089127481896
Energy: 1.486352577662577
Energy: 1.487087955369452
Energy: 1.673164119819938
Energy: 1.4870879553600997
Energy: 1.4885481121097799
Energy: 1.4876295702538003
Energy: 1.7370719155306726
Energy: 1.4876295702580513
Energy: 1.4870185316015812
Energy: 1.4844075715843719
Energy: 1.6759793427941552
Energy: 1.4844075715894733
Energy: 1.6699168956003398
Energy: 1.4853097775393838
Energy: 1.4911569113788745
Energy: 1.4853097775274802
Energy: 1.672258247222095
Energy: 1.484050534041104
Energy: 1.4849090185340548
Energy: 1.4840505340317511
Energy: 1.737876059779945
Energy: 1.4878535213026958
Energy: 1.486638645293554
Energy: 1.4878535212916428
Energy: 1.727509893072493
Energy: 1.482943204923013
Energy: 1.4843068113987827
Energy: 1.4829432049204623
Energy: 1.6791248753095067
Energy: 1.5896270171118263
Energy: 1.4877194341886542
Energy: 1.5896270171118263
Energy: 1.6637389452593474
Energy: 1.5955568232902693
Energy: 2.028422802792988
Energy: 1.5955568232945205
Energy: 1.5909564130222782
Energy: 1.591771689459354
Energy: 1.5942595162700766
Energy: 1.5917716894508518
Energy: 1.6166604550996135
Energy: 1.5821485712058543
Energy: 1.593506668504618
Energy: 1.5821485711982022
Energy: 1.5927695817638214
Energy: 1.5991169578113285
Energy: 1.500961120992494
Energy: 1.5991169577884108
Energy: 1.6638980625201334
Energy: 1.5890135642638112
Energy: 1.5927884393130356
Energy: 1.5890135642604102

minimum gb energy = 1.4829432049204623 eV
minimum distance =  2.17566181777661 Angstroms
sigma value = 29


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

Energy: 1.4074473812756563
Energy: 1.6808860663793046
Energy: 1.5757511309002834
Energy: 1.4076747691545215
Energy: 1.4313442207795468
Energy: 1.5441427485524772
Energy: 1.4339321129489488
Energy: 1.544142748551029
Energy: 1.4304437483901606
Energy: 1.5344700011329782
Energy: 1.40704314110401
Energy: 1.534470001130938
Energy: 1.4145641908508237
Energy: 1.4306217670462786
Energy: 1.4298067083955812
Energy: 1.430621767045094
Energy: 1.4273441724267926
Energy: 1.4290851687799875
Energy: 1.4143368692712166
Energy: 1.4290851687773878
Energy: 1.4282696409000744
Energy: 1.5366101140179007
Energy: 1.4143023259133785
Energy: 1.5366101140179007
Energy: 1.4073127320502572
Energy: 1.5347849595672942
Energy: 1.4289172006225248
Energy: 1.5347849595661425
Energy: 1.432819617553936
Energy: 1.4355319441244943
Energy: 1.4168760265683271
Energy: 1.4355319441239347
Energy: 1.4155514807390601
Energy: 1.4317940731771197
Energy: 1.4338768545870835
Energy: 1.4317940731771197

minimum gb energy = 1.40704314110401 eV
minimum distance =  2.1751360194832 Angstroms
sigma value = 5


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

Energy: 2.027725313534333
Energy: 1.5714682891053864
Energy: 1.5742019079927674
Energy: 1.3507041703421794
Energy: 1.4871733474778528
Energy: 1.372269256810882
Energy: 1.6263694398547963
Energy: 1.372269256816504
Energy: 1.6190665731836773
Energy: 1.4792375869084309
Energy: 1.6263057616083478
Energy: 1.479237586904415
Energy: 1.5101903773964949
Energy: 1.617085785956335
Energy: 1.5823666810568395
Energy: 1.6170857859587446
Energy: 1.5001512413471654
Energy: 1.3673614087478776
Energy: 1.5203560376389489
Energy: 1.367361408744665
Energy: 1.3692971463623622
Energy: 1.3692871912986748
Energy: 1.5282240520909145
Energy: 1.369287191299478
Energy: 1.3667700484702505
Energy: 1.3659502417249196
Energy: 1.5868720950989348
Energy: 1.36595024172251
Energy: 1.3862722090605413
Energy: 1.3763487809570238
Energy: 1.750219586031771
Energy: 1.3763487809554174
Energy: 1.4692816780437763
Energy: 1.4271092297373031
Energy: 1.6962505903628278
Energy: 1.4271092297228467
Energy: 1.7591157957285004
Energy: 1.351399710921022
Energy: 1.3581350053928545
Energy: 1.3513997109322657
Energy: 1.467882405591454
Energy: 1.348243515513288
Energy: 1.3489084340311879
Energy: 1.3482435155148944
Energy: 1.7269673836798871
Energy: 1.3486042581416926
Energy: 1.3476698249942796
Energy: 1.3486042581449047
Energy: 1.7344117868286888
Energy: 1.3481241693362938
Energy: 1.3605947913191327
Energy: 1.3481241693298687
Energy: 1.4422442553597374
Energy: 1.338119310614747
Energy: 1.7350631584269072
Energy: 1.338119310603576
Energy: 1.470847515916589
Energy: 1.3331303583056395
Energy: 1.7247032655128482
Energy: 1.3331303583064427
Energy: 1.4752795308551547
Energy: 1.3349801231038534
Energy: 1.3842112626682823
Energy: 1.3349801231118847
Energy: 1.4638661451003114
Energy: 1.332429744849494
Energy: 1.3824942728202971
Energy: 1.3324297448486908
Energy: 1.6639971938603737
Energy: 1.339112985870522
Energy: 1.3624502858303977
Energy: 1.3391129858793567
Energy: 1.7600802767748165
Energy: 1.4478575585562077
Energy: 1.383276303968306
Energy: 1.4478575585626328
Energy: 1.6574722071111845
Energy: 1.5684216192048839
Energy: 1.5096528077306277
Energy: 1.56842161920649
Energy: 1.5189037716036373
Energy: 1.375595155269946
Energy: 1.394068079375274
Energy: 1.3755951552723555
Energy: 1.516666829526849
Energy: 1.372382070441042
Energy: 1.3722935389002422
Energy: 1.3723820704466643
Energy: 1.6556809145317573
Energy: 1.3726645979281666
Energy: 1.3756479139446691
Energy: 1.3726645979289698
Energy: 1.7350029775168125
Energy: 1.380042009016546
Energy: 1.3884546552189267
Energy: 1.3800420090141365
Energy: 1.7200937819351216
Energy: 1.3436989214570219
Energy: 1.3985982590981367
Energy: 1.3436989214554156
Energy: 1.3529517979239076
Energy: 1.344986410201924
Energy: 1.759051741036
Energy: 1.344986410208349
Energy: 1.3482585057295122
Energy: 1.3455876549946642
Energy: 1.401803336892073
Energy: 1.34558765499868
Energy: 1.348166506367121
Energy: 1.346033312595357
Energy: 1.3997830549670753
Energy: 1.3460333126033885
Energy: 1.3428028024210725
Energy: 1.3443907450868449
Energy: 1.7394621127682717
Energy: 1.3443907450828292
Energy: 1.7298481742606306
Energy: 1.4213444607868126
Energy: 1.3944812121567256
Energy: 1.4213444607844032
Energy: 1.7256405891546776
Energy: 1.3718804210515139
Energy: 1.3759714044534905
Energy: 1.3718804210611515
Energy: 1.5792331282316205
Energy: 1.3711498850057562
Energy: 1.375548487063649
Energy: 1.3711498850137878
Energy: 1.3745764822786515
Energy: 1.3666083628965726
Energy: 1.3660527330751244
Energy: 1.3666083629311079

minimum gb energy = 1.3324297448486908 eV
minimum distance =  2.14578558759572 Angstroms
sigma value = 1


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

Energy: 2.0097096469743274
Energy: 1.2961338485586467
Energy: 1.516536788231037
Energy: 1.2652584068074233
Energy: 1.3025352192519926
Energy: 1.3020500793863459
Energy: 1.6116555622648694
Energy: 1.3020500793785725
Energy: 1.6137739479004678
Energy: 1.4396806430845308
Energy: 1.6152723106649864
Energy: 1.4396806430934148
Energy: 1.3195132485795995
Energy: 1.4416158202040101
Energy: 1.5907484508748326
Energy: 1.4416158201995684
Energy: 1.2956564891607205
Energy: 1.2947613859550113
Energy: 1.6027393497928168
Energy: 1.2947613859605638
Energy: 1.2952815304141967
Energy: 1.2951711742924552
Energy: 1.6033622223003057
Energy: 1.2951711742957865
Energy: 1.2919325673964246
Energy: 1.2932205220033064
Energy: 1.5914492966065825
Energy: 1.2932205220099693
Energy: 1.2959231127177555
Energy: 1.3053553979029713
Energy: 1.861932375450245
Energy: 1.3053553979140764
Energy: 1.5914499551255599
Energy: 1.3779239734449218
Energy: 1.8541282022657628
Energy: 1.3779239734493636
Energy: 1.6628215436860543
Energy: 1.310855835287332
Energy: 1.3277916449977176
Energy: 1.3108558352895532
Energy: 1.5934324962852806
Energy: 1.297399780623943
Energy: 1.2918248757631225
Energy: 1.297399780638379
Energy: 1.8488948649924017
Energy: 1.2970468846495955
Energy: 1.2969166544955584
Energy: 1.2970468846507055
Energy: 1.8495425292655656
Energy: 1.2952587279403498
Energy: 1.2948627832115354
Energy: 1.2952587279326269
Energy: 1.295351822638343
Energy: 1.438212292444253
Energy: 1.6123219980208507
Energy: 1.4382122924486953
Energy: 1.3155956088368548
Energy: 1.4391641684490364
Energy: 1.612248338031094
Energy: 1.4391641684490364
Energy: 1.3159078617679885
Energy: 1.2981770185646588
Energy: 1.2976200758474807
Energy: 1.2981770185591064
Energy: 1.2956483053181536
Energy: 1.2952670697504762
Energy: 1.6084715450740974
Energy: 1.2952670697560285
Energy: 1.31587323747501
Energy: 1.3068356361796813
Energy: 1.6143321962265278
Energy: 1.3068356361852338
Energy: 1.2918974316528091
Energy: 1.293708016990193
Energy: 1.857686052886091
Energy: 1.2937080169879724
Energy: 1.2993687764180906
Energy: 1.3068560282535508
Energy: 1.853607704454739
Energy: 1.306856028488873
Energy: 1.603722466410036
Energy: 1.374316278602487
Energy: 1.2973350601899687
Energy: 1.3743162786058185
Energy: 1.6061502539672936
Energy: 1.2983578524170007
Energy: 1.303015969371347
Energy: 1.2983578524214425
Energy: 1.296986478729961
Energy: 1.2951538448915607
Energy: 1.297425965641901
Energy: 1.2951538448992839
Energy: 1.8490315782276692
Energy: 1.29532156585715
Energy: 1.2938028767691814
Energy: 1.295321565854929

minimum gb energy = 1.2652584068074233 eV
minimum distance =  2.16071586835382 Angstroms
sigma value = 17


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

Energy: 2.1454808450044998
Energy: 1.5085422558175972
Energy: 1.5071785624749592
Energy: 1.252218044671865
Energy: 1.2739485595944047
Energy: 1.2773389842491782
Energy: 1.4741278277713026
Energy: 1.2773389842464327
Energy: 1.635370443571774
Energy: 1.2693030598243034
Energy: 1.4985791589952975
Energy: 1.2693030598311668
Energy: 1.6971622890674605
Energy: 1.3495650342083259
Energy: 1.4559006972506865
Energy: 1.3495650343036685
Energy: 1.4409216692711269
Energy: 1.2530226573925791
Energy: 1.7091119526091108
Energy: 1.2530226573953243
Energy: 1.2545993980992347
Energy: 1.2525189627247182
Energy: 1.658741856153013
Energy: 1.2525189627233455
Energy: 1.2538881112673947
Energy: 1.2526784656317065
Energy: 1.2892593073635443
Energy: 1.2526784656317065
Energy: 1.2642097395684475
Energy: 1.255878674776813
Energy: 1.6933840065770882
Energy: 1.2558786747781854
Energy: 1.6718968707396105
Energy: 1.2597637259270111
Energy: 1.6331994220542616
Energy: 1.2597637259276975
Energy: 1.495287182602236
Energy: 1.353952061841201
Energy: 1.4824012689324169
Energy: 1.3539520618446328
Energy: 1.6649270925644317
Energy: 1.2693503398096928
Energy: 1.2835038857829488
Energy: 1.2693503396656178
Energy: 1.6597535657010023
Energy: 1.2741369660283595
Energy: 1.4596476456895666
Energy: 1.274136966025614
Energy: 1.7144712268556341
Energy: 1.27005604002862
Energy: 1.2706926102548228
Energy: 1.27005604002862
Energy: 1.270381012753168
Energy: 1.270760417823227
Energy: 1.2736165452061248
Energy: 1.270760417823227
Energy: 1.69083442844024
Energy: 1.2745910266305776
Energy: 1.2782984209664838
Energy: 1.2745910266319502
Energy: 1.6930868692911127
Energy: 1.2721556150131652
Energy: 1.2754124332502748
Energy: 1.2721556150179698
Energy: 1.2692822380069255
Energy: 1.4666703662902125
Energy: 1.924434658638376
Energy: 1.4666703662510894
Energy: 1.2701805502008612
Energy: 1.2706670822273494
Energy: 1.677151310297697
Energy: 1.2706670822300952
Energy: 1.2943445130761704
Energy: 1.2772352229877117
Energy: 1.6289061498278694
Energy: 1.2772352229835937
Energy: 1.2729446648403087
Energy: 1.2703251065030332
Energy: 2.144539661861813
Energy: 1.2703251065023469
Energy: 1.506098020034011
Energy: 1.2742409858550325
Energy: 1.2709797817168451
Energy: 1.274240985841305
Energy: 1.4964108914004257
Energy: 1.2695348997425968
Energy: 1.692047706331797
Energy: 1.2695348997391647
Energy: 1.4566061389647447
Energy: 1.3455860342923556
Energy: 1.6944955998869524
Energy: 1.3455860342951007
Energy: 1.8659883541418882
Energy: 1.2548476257803085
Energy: 1.4775734754194416
Energy: 1.2548476257782495
Energy: 1.6590710011376482
Energy: 1.2516932856259821
Energy: 1.2532565864873644
Energy: 1.2516932856259821
Energy: 1.4581831618290404
Energy: 1.254007336292232
Energy: 1.2567630717125002
Energy: 1.2540073362908595
Energy: 2.144346530200415
Energy: 1.26128735506594
Energy: 1.2619494603257573
Energy: 1.2612873550618218
Energy: 1.461366804343322
Energy: 1.2555237284593512
Energy: 1.6752001031215447
Energy: 1.2555237284614105
Energy: 1.486970447875764
Energy: 1.3494211609481515
Energy: 1.5050289345219197
Energy: 1.3494211609440332
Energy: 1.2856431707257494
Energy: 1.268948012066823
Energy: 1.662569509152734
Energy: 1.2689480120654506
Energy: 1.458722913944854
Energy: 1.2709275510740123
Energy: 1.659224487680063
Energy: 1.2709275510719533
Energy: 1.2699534720844874
Energy: 1.2709474378566041
Energy: 1.6601700941884618
Energy: 1.2709474378525485
Energy: 1.2697661044470112
Energy: 1.2681635520466032
Energy: 1.4939867750301274
Energy: 1.268163552043858
Energy: 1.2835460431839123
Energy: 1.2764640394162865
Energy: 1.7107548199132214
Energy: 1.276464039410109
Energy: 1.2788973114835953
Energy: 1.3208048782504396
Energy: 1.6926361234661433
Energy: 1.3208048782497532
Energy: 1.9347622466237215
Energy: 1.2894775198864528
Energy: 1.272328162350243
Energy: 1.289477519947477
Energy: 1.6707340916552602
Energy: 1.2692015140169781
Energy: 1.2696797289308754
Energy: 1.2692015140183508
Energy: 1.63243803211156
Energy: 1.293972577545408
Energy: 1.2710764214032078
Energy: 1.2939725775440356

minimum gb energy = 1.2516932856259821 eV
minimum distance =  2.1701255365018 Angstroms
sigma value = 89


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

Energy: 2.271700802882555
Energy: 1.1573097768249052
Energy: 1.4189851555270852
Energy: 1.1498113801992644
Energy: 1.158777691723939
Energy: 1.2817632248872557
Energy: 1.1557683546513178
Energy: 1.2817632248890516
Energy: 1.1454008293771267
Energy: 1.2845589184564716
Energy: 1.1911423271602222
Energy: 1.2845589184564716
Energy: 1.1497999978050792
Energy: 1.2699132176879437
Energy: 1.1573371869416036
Energy: 1.2699132176861478
Energy: 1.1571072179736162
Energy: 1.1580346193559385
Energy: 1.1813648089907125
Energy: 1.1580346193559385
Energy: 1.1581697847352044
Energy: 1.1560488894732661
Energy: 1.1798266084859315
Energy: 1.156048889475062
Energy: 1.157251141028992
Energy: 1.154934339743048
Energy: 1.158703198933649
Energy: 1.154934339743048
Energy: 1.1558896354786405
Energy: 1.1606500035597438
Energy: 1.146925791904375
Energy: 1.1606500035597438
Energy: 1.1567543822742092
Energy: 1.1544897059903865
Energy: 1.1460225329059746
Energy: 1.1544897059903865
Energy: 1.1917689899907247
Energy: 1.2882445137963983
Energy: 1.1580739514677723
Energy: 1.2882445137946024
Energy: 1.1592037554668537
Energy: 1.266849331574464
Energy: 1.1456376808784583
Energy: 1.2668493315816474
Energy: 1.1790410972702385
Energy: 1.156081891175318
Energy: 1.1598081928819801
Energy: 1.156081891173522
Energy: 1.1785854168658623
Energy: 1.1596760732178195
Energy: 1.1569544652120507
Energy: 1.1596760732178195
Energy: 1.1576718078774795
Energy: 1.154608825726679
Energy: 1.1539073757709155
Energy: 1.154608825723087
Energy: 1.1466677261248235
Energy: 1.1588042346182126
Energy: 1.1617986914144312
Energy: 1.1588042346182126

minimum gb energy = 1.1454008293771267 eV
minimum distance =  2.19080999157403 Angstroms
sigma value = 13


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

Energy: 2.0100822432324437
Energy: 1.0902230480116293
Energy: 1.3762523543484804
Energy: 1.0829135034986308
Energy: 1.2953818900563216
Energy: 1.0885110429821516
Energy: 1.3147223583371916
Energy: 1.0885110429911842
Energy: 1.0927838071300975
Energy: 1.0872051199931865
Energy: 1.3426208266443849
Energy: 1.0872051199856594
Energy: 1.5470908668083116
Energy: 1.0895701102170914
Energy: 1.3001574211729459
Energy: 1.0895701102073059
Energy: 1.3060947554956457
Energy: 1.0895449141940423
Energy: 1.3417785147927077
Energy: 1.089544914186515
Energy: 1.3028972921647795
Energy: 1.0899118840236182
Energy: 1.2965009859755707
Energy: 1.0899118840198545
Energy: 1.3039147879422803
Energy: 1.0880385224021378
Energy: 1.2968718460442104
Energy: 1.0880385223900944
Energy: 1.0970070921268416
Energy: 1.0875558076374674
Energy: 1.3296549253951377
Energy: 1.0875558076480056
Energy: 1.0853679044733175
Energy: 1.0921846079236757
Energy: 1.3066872388313817
Energy: 1.0921846079251813
Energy: 1.0867331073293345
Energy: 1.0882313878601368
Energy: 1.3053657731973771
Energy: 1.088231387867664
Energy: 1.091304812172724
Energy: 1.0878506202646252
Energy: 2.009692348572384
Energy: 1.087850620281185
Energy: 1.2971404430163735
Energy: 1.1580864589927238
Energy: 1.3056720070416292
Energy: 1.1580864589987454
Energy: 1.3391277563738158
Energy: 1.1579680951159943
Energy: 1.3186288994388857
Energy: 1.1579680951242743
Energy: 1.3008740024748935
Energy: 1.1625152104098126
Energy: 1.548188829518461
Energy: 1.1625152104022853
Energy: 1.3283457402362866
Energy: 1.0903886033581969
Energy: 1.3040966149533646
Energy: 1.0903886033597023
Energy: 1.3257160263636205
Energy: 1.089155901064921
Energy: 1.0919792544574836
Energy: 1.0891559010634158
Energy: 1.29610712487919
Energy: 1.0870393742486948
Energy: 1.0884353938887126
Energy: 1.0870393742351458
Energy: 2.007603344029002
Energy: 1.0873627319484545
Energy: 1.0891116554937241
Energy: 1.0873627319567345
Energy: 1.4933199551737064
Energy: 1.105917741388942
Energy: 1.2963738180082185
Energy: 1.105917741384426
Energy: 1.3044435193204222
Energy: 1.0860046138515351
Energy: 1.323234044028697
Energy: 1.0860046138432553
Energy: 1.543105267569472
Energy: 1.0865760703990075
Energy: 1.295624958958566
Energy: 1.0865760703734149
Energy: 1.3038797341694246
Energy: 1.0866341773433763
Energy: 1.295523225805263
Energy: 1.0866341773501509
Energy: 1.3123581948267036
Energy: 1.0903807084510533
Energy: 1.3177726781422374
Energy: 1.0903807084518058
Energy: 1.0936892243950183
Energy: 1.0858874396058096
Energy: 1.3017716144553384
Energy: 1.0858874396073148
Energy: 1.300232428346302
Energy: 1.0886434837109336
Energy: 1.3270708429039402
Energy: 1.0886434837109336
Energy: 1.0894404922016134
Energy: 1.0866780249047097
Energy: 1.3234338743598582
Energy: 1.0866780249062153
Energy: 1.0865076103656213
Energy: 1.0862957723592748
Energy: 1.302534892360421
Energy: 1.0862957723675544
Energy: 1.0863077664502245
Energy: 1.093828987337742
Energy: 1.1234840583801275
Energy: 1.0938289873332256
Energy: 1.2943173691079146
Energy: 1.0867470675584494
Energy: 1.4944219483367591
Energy: 1.0867470675667297
Energy: 1.3179107287080052
Energy: 1.1627804059847995
Energy: 1.2944348131454422
Energy: 1.1627804059825413
Energy: 1.298028467208793
Energy: 1.156250145824322
Energy: 1.542028537050755
Energy: 1.1562501458371184
Energy: 1.309056873706412
Energy: 1.0885719388355988
Energy: 1.2941176166712016
Energy: 1.0885719388363513
Energy: 1.3294074858239249
Energy: 1.0912177483358367
Energy: 1.1101915864994167
Energy: 1.0912177483268042
Energy: 1.5335936818323135
Energy: 1.0863844680535724
Energy: 1.0874199378310487
Energy: 1.0863844680671215
Energy: 1.4942265076830104
Energy: 1.0882006132288429
Energy: 1.0929845918788987
Energy: 1.088200613243145

minimum gb energy = 1.0829135034986308 eV
minimum distance =  2.18012782393748 Angstroms
sigma value = 37


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

Energy: 1.761583735662502
Energy: 0.9919108391248938
Energy: 1.2993696207374057
Energy: 0.9929825857284494
Energy: 1.3492739397385254
Energy: 0.9921867007304568
Energy: 1.3467554805741837
Energy: 0.9921867007304568
Energy: 1.699151956876962
Energy: 0.9891410481180766
Energy: 1.3618497123294873
Energy: 0.9891410481180766
Energy: 1.6988775392153934
Energy: 1.114853004113254
Energy: 1.3458442522504006
Energy: 1.1148530041145492
Energy: 1.0078531727532842
Energy: 1.1231053926497367
Energy: 1.3529016486545067
Energy: 1.1231053926523267
Energy: 0.9840095232188801
Energy: 0.9896023379739193
Energy: 1.347265373484422
Energy: 0.9896023379726242
Energy: 0.9844286066403117
Energy: 0.9889904749236167
Energy: 1.3479282029424757
Energy: 0.9889904749262067
Energy: 1.0059258460391074
Energy: 0.9909258806988679
Energy: 1.7035441400745732
Energy: 0.9909258806975728
Energy: 0.9901094217862065
Energy: 0.9888213731016566
Energy: 1.7019643006463505
Energy: 0.9888213731016566
Energy: 0.9894367624368734
Energy: 0.9921720427099576
Energy: 1.6961283982166893
Energy: 0.9921720427086625
Energy: 1.2993696206869283
Energy: 0.9929825857297444
Energy: 1.7615837356612072
Energy: 0.9919108391235988
Energy: 1.3467554805728887
Energy: 0.9921867007291617
Energy: 1.3492739398084281
Energy: 0.9921867007291617
Energy: 1.3618497123320776
Energy: 0.9891410481206667
Energy: 1.6991519568795228
Energy: 0.9891410481193715
Energy: 1.3458442522529905
Energy: 1.114853004113254
Energy: 1.6988775390613429
Energy: 1.114853004113254
Energy: 1.3529016486506216
Energy: 1.1231053926510317
Energy: 1.007853172750694
Energy: 1.1231053926484416
Energy: 1.3472653736099818
Energy: 0.9896023379713291
Energy: 0.9840095232188801
Energy: 0.9896023379739193
Energy: 1.3479282028350172
Energy: 0.9889904749223217
Energy: 0.9844286066390165
Energy: 0.9889904749210265
Energy: 1.7035441400279812
Energy: 0.9909258806962778
Energy: 1.0059258460404024
Energy: 0.9909258806962778
Energy: 1.7019643006385803
Energy: 0.9888213730990665
Energy: 0.990109421784941
Energy: 0.9888213730990665
Energy: 1.6961283982192792
Energy: 0.9921720427112525
Energy: 0.9894367624368734
Energy: 0.9921720427125477

minimum gb energy = 0.9840095232188801 eV
minimum distance =  2.19205857882083 Angstroms
sigma value = 25


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

Energy: 2.08759579843528
Energy: 0.8825720136269211
Energy: 1.2151230521977567
Energy: 0.891748589944748
Energy: 1.7013308839883738
Energy: 0.8805651997175854
Energy: 1.1720455758499313
Energy: 0.8805651997175854
Energy: 1.9341615268508139
Energy: 0.87900638621004
Energy: 1.182842633726049
Energy: 0.8790063862090286
Energy: 1.4766778607690476
Energy: 0.8807548433187596
Energy: 1.173742136228252
Energy: 0.880754843316737
Energy: 1.4814956056191046
Energy: 0.9823655718719475
Energy: 1.7021675931139302
Energy: 0.9823655718719475
Energy: 1.46377644571675
Energy: 0.9822668659502879
Energy: 1.704618078193424
Energy: 0.9822668659512991
Energy: 1.4704676230806077
Energy: 0.9820920320174336
Energy: 1.7001584458752061
Energy: 0.9820920320224897
Energy: 1.173196782333976
Energy: 0.8805793104722067
Energy: 1.7009782949039738
Energy: 0.8805793104802967
Energy: 1.1960431701477632
Energy: 0.8788150763649373
Energy: 1.7000778031809514
Energy: 0.8788150763649373
Energy: 1.1789846191602285
Energy: 0.8806467149790218
Energy: 1.6999251507396296
Energy: 0.8806467149820556
Energy: 0.8797323777142076
Energy: 0.8802259623619415
Energy: 1.7792514578638117
Energy: 0.8802259623619415
Energy: 0.884976256652127
Energy: 0.8806917377566744
Energy: 1.6999436333969358
Energy: 0.880691737758697
Energy: 0.8813436153665238
Energy: 0.8800717608301192
Energy: 1.4660615810719961
Energy: 0.8800717608301192
Energy: 0.9015503217994546
Energy: 0.8822329621877443
Energy: 1.92405634393958
Energy: 0.8822329621877443
Energy: 1.1763443784721332
Energy: 0.8786396222247718
Energy: 1.9405097861244722
Energy: 0.8786396222267943
Energy: 1.188959883084995
Energy: 0.8811088954271294
Energy: 1.9279420647658065
Energy: 0.8811088954271294
Energy: 1.481488828468142
Energy: 0.8820213293260559
Energy: 1.9274201308581853
Energy: 0.8820213293240334
Energy: 1.177454691097189
Energy: 0.9845829530037744
Energy: 1.4822679418168134
Energy: 0.984582953001752
Energy: 1.7011368048360358
Energy: 0.9835825286980435
Energy: 1.4695547306557901
Energy: 0.983582528696021
Energy: 1.4821815892675048
Energy: 0.9815424282500341
Energy: 1.4695326080396593
Energy: 0.9815424282470004
Energy: 1.7835121698233902
Energy: 0.8824717839647165
Energy: 1.171824421059367
Energy: 0.8824717839091435
Energy: 1.7024683524252366
Energy: 0.8778958781543089
Energy: 0.8797223516859946
Energy: 0.8778958781532976
Energy: 1.9281445610954695
Energy: 0.8839421258299053
Energy: 1.1716094260739842
Energy: 0.8839421258299053
Energy: 1.7128224775230008
Energy: 0.8832729808063166
Energy: 0.8808622297552013
Energy: 0.8832729808053054
Energy: 1.7026505117630921
Energy: 0.8789839740535487
Energy: 0.8797271693685287
Energy: 0.8789839740565825
Energy: 1.923574723388678
Energy: 0.8819525637760133
Energy: 0.8870381585842558
Energy: 0.8819525637760133

minimum gb energy = 0.8778958781532976 eV
minimum distance =  2.19169088785451 Angstroms
sigma value = 41


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

Energy: 2.298466216910247
Energy: 0.8011478881864598
Energy: 1.153954380443078
Energy: 0.8141096479599096
Energy: 1.8898246916021915
Energy: 0.8003965078047879
Energy: 1.0415850754836142
Energy: 0.8003965078039589
Energy: 2.0893665773184886
Energy: 0.7976018291258344
Energy: 1.047832490055765
Energy: 0.7976018291258344
Energy: 1.68635226330107
Energy: 0.8013187048081157
Energy: 1.0459612485747594
Energy: 0.8013187048072867
Energy: 1.6985042614305323
Energy: 0.7957392050489303
Energy: 1.506238408647511
Energy: 0.7957392050472721
Energy: 1.6911719960673068
Energy: 0.7989007337423017
Energy: 1.4922758767916926
Energy: 0.7989007337497634
Energy: 1.705561358458692
Energy: 0.8852786352637521
Energy: 1.698117305897642
Energy: 0.8852786352670683
Energy: 1.4939360289193546
Energy: 0.8908091486103669
Energy: 1.497664102397343
Energy: 0.8908091486078796
Energy: 1.2868155148726326
Energy: 0.7963641383320018
Energy: 1.8916503377799174
Energy: 0.7963641383427796
Energy: 1.2872245873263102
Energy: 0.7960713833068452
Energy: 1.701014061241273
Energy: 0.7960713833109906
Energy: 1.067839198700031
Energy: 0.8042945101981219
Energy: 2.036222692990314
Energy: 0.8042945101948057
Energy: 1.0525204670022161
Energy: 0.796775357378896
Energy: 1.6998461758834504
Energy: 0.796775357378067
Energy: 1.0467590844519739
Energy: 0.8011969578813002
Energy: 2.084756005798815
Energy: 0.8011969578829584
Energy: 0.7982098563491625
Energy: 0.8024581811292072
Energy: 1.8842574082007524
Energy: 0.8024581811333525
Energy: 0.8000381687616646
Energy: 0.7973236569333902
Energy: 1.8900638818618567
Energy: 0.7973236569342192
Energy: 0.8057671729925334
Energy: 0.8003829464391526
Energy: 2.0813846656562855
Energy: 0.8003829464341783
Energy: 1.0543193602001892
Energy: 0.8038625414390607
Energy: 2.082090966568501
Energy: 0.8038625414398899
Energy: 1.0423642033174392
Energy: 0.7971269076573045
Energy: 1.895443355355245
Energy: 0.7971269076564753
Energy: 1.047769683820777
Energy: 0.7987766894967581
Energy: 1.6999650665037653
Energy: 0.7987766894975871
Energy: 1.4935129779531628
Energy: 0.799468415184499
Energy: 1.6920823428319032
Energy: 0.7994684151754545
Energy: 1.5354383027273353
Energy: 0.7970080662162692
Energy: 1.6992926351757487
Energy: 0.7970080662179273
Energy: 1.4943517407522275
Energy: 0.8878505069761832
Energy: 1.6864891885587334
Energy: 0.8878505069786704
Energy: 1.8953019761098797
Energy: 0.8818910579007381
Energy: 1.6896354174522572
Energy: 0.8818910579007381
Energy: 1.4959994845753795
Energy: 0.8898038214119874
Energy: 1.492518000403537
Energy: 0.8898038214111583
Energy: 1.8905879462926387
Energy: 0.7967847858956943
Energy: 1.2831346723603982
Energy: 0.7967847858923781
Energy: 1.8979546143835209
Energy: 0.798696095578855
Energy: 1.4925416236941549
Energy: 0.7986960955805131
Energy: 1.8865162737176842
Energy: 0.8022257140189487
Energy: 1.0500140249624739
Energy: 0.8022257140164615
Energy: 1.8939969108647934
Energy: 0.7968689918945544
Energy: 1.0472386188746816
Energy: 0.7968689895037621
Energy: 1.8848508664595618
Energy: 0.7987442455215272
Energy: 1.053077161686461
Energy: 0.7987442455248436
Energy: 1.8911907773909196
Energy: 0.8013222968387806
Energy: 0.8006639097905315
Energy: 0.8013222968362934
Energy: 2.09680299818803
Energy: 0.7989083079011153
Energy: 0.7994051146403564
Energy: 0.7989083079044317
Energy: 2.0804329751574495
Energy: 0.8022714848895661
Energy: 0.7982631159302075
Energy: 0.8022714848920534

minimum gb energy = 0.7957392050472721 eV
minimum distance =  2.19570079520989 Angstroms
sigma value = 15


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

Energy: 1.990726457476747
Energy: 0.7418074948303804
Energy: 1.1054847137538701
Energy: 0.7545379902714602
Energy: 2.028024231609628
Energy: 0.7373468195542525
Energy: 0.9628443635096032
Energy: 0.7373468195521455
Energy: 2.203958026675809
Energy: 0.7360696086413476
Energy: 0.9467095643640282
Energy: 0.7360696086441568
Energy: 1.852620867169803
Energy: 0.7393057824992694
Energy: 1.3457049716119558
Energy: 0.7393057824999717
Energy: 1.860808747398451
Energy: 0.7324584913015773
Energy: 1.3343233063004953
Energy: 0.7324584912959585
Energy: 1.860441180626795
Energy: 0.7343283837011242
Energy: 1.3357069312793048
Energy: 0.7343283837032312
Energy: 1.510307258945006
Energy: 1.0561420995315471
Energy: 1.6849861770759957
Energy: 1.0561420995315471
Energy: 1.688094596653315
Energy: 1.0553134118894791
Energy: 1.3389196840363815
Energy: 1.0553134118887768
Energy: 1.5074137365812106
Energy: 0.8105248382841282
Energy: 1.680019203591438
Energy: 0.8105248382953656
Energy: 1.5056792845042788
Energy: 1.0573598324685096
Energy: 1.8670818366682047
Energy: 1.0573598324678073
Energy: 1.3429022559853585
Energy: 0.7368530688830317
Energy: 1.7882642379739608
Energy: 0.7368530690346718
Energy: 1.1491470238898807
Energy: 0.732712860247084
Energy: 2.0255618934024815
Energy: 0.7327128602393586
Energy: 1.3350301142524656
Energy: 0.733751990368159
Energy: 2.028178737094299
Energy: 0.7337519903667543
Energy: 0.9581078027312221
Energy: 0.738916660415872
Energy: 1.6895294611245724
Energy: 0.7389166604186813
Energy: 0.9435251371133744
Energy: 0.7334090093357066
Energy: 2.0358955329528357
Energy: 0.7334090093392183
Energy: 0.9618970805875076
Energy: 0.7387025105639933
Energy: 2.0293111807251414
Energy: 0.7387025105590771
Energy: 0.7442175254745202
Energy: 0.7377759222286016
Energy: 2.0221642415759744
Energy: 0.7377759222307084
Energy: 0.733917209095147
Energy: 0.7340629564898704
Energy: 2.0271987425386078
Energy: 0.7340629564912752
Energy: 0.7430075602688898
Energy: 0.7391938168013469
Energy: 1.8614959492314338
Energy: 0.7391938167971329
Energy: 0.9591085806732932
Energy: 0.7373492784195965
Energy: 2.2037306727414063
Energy: 0.737349278424449
Energy: 0.9380884304820012
Energy: 0.7338107210459858
Energy: 2.025002747238279
Energy: 0.7338107210466881
Energy: 0.9589666761247906
Energy: 0.7384724726122195
Energy: 1.851531769714428
Energy: 0.7384724726143266
Energy: 1.332727776401044
Energy: 0.7347965857823597
Energy: 1.8549212077798203
Energy: 0.7347965857872761
Energy: 1.3353014372574685
Energy: 0.7333715473836254
Energy: 1.8640398128588516
Energy: 0.7333715473857324
Energy: 1.3474874795597034
Energy: 0.7364490484044822
Energy: 1.5592796395924866
Energy: 0.736449048410101
Energy: 1.6944154710101271
Energy: 1.0575480488500808
Energy: 1.8645834118570948
Energy: 1.05754804885289
Energy: 1.3348490531613217
Energy: 0.8077100745354007
Energy: 1.6874298467677222
Energy: 0.8077100745389123
Energy: 1.690714408169176
Energy: 1.0553846023595514
Energy: 1.5363264227982845
Energy: 1.0553846023616584
Energy: 1.6855091886359188
Energy: 1.0556980198476047
Energy: 1.6852687079825777
Energy: 1.0556980198462003
Energy: 1.6855135659463212
Energy: 0.733859537100495
Energy: 1.3504669456798106
Energy: 0.733859537100495
Energy: 1.8607752843441718
Energy: 0.7323725011075759
Energy: 1.1485610511024003
Energy: 0.7323725011040643
Energy: 1.695614476061091
Energy: 0.7383690508417509
Energy: 1.3492758828434064
Energy: 0.7383690508410485
Energy: 2.0285634475910133
Energy: 0.7358415723769379
Energy: 0.9578747175725468
Energy: 0.7358415723755334
Energy: 2.0266865441509974
Energy: 0.7361610334867674
Energy: 0.9744749399120456
Energy: 0.7361610334846604
Energy: 2.0221669722007443
Energy: 0.7418912666498282
Energy: 0.7589928616915392
Energy: 0.7418912666540421
Energy: 2.205539019306057
Energy: 0.7359706785721875
Energy: 0.7415248279646901
Energy: 0.735970678569378
Energy: 2.1980444281681226
Energy: 0.7369043111497593
Energy: 0.7388605483019944
Energy: 0.736904311149057

minimum gb energy = 0.7323725011040643 eV
minimum distance =  2.19621953379146 Angstroms
sigma value = 85


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

Energy: 2.122845720571545
Energy: 0.6925543726183506
Energy: 0.6627657744520187
Energy: 0.6958547737742911
Energy: 2.113026622345815
Energy: 0.6643440238568551
Energy: 0.8562833415703195
Energy: 0.6643440238568551
Energy: 1.95679330562066
Energy: 0.663684299376035
Energy: 0.8530452740353851
Energy: 0.663684299376035
Energy: 1.644864358406281
Energy: 0.6678958938269692
Energy: 1.1912393164762236
Energy: 0.6678958938245327
Energy: 1.9683114779447037
Energy: 0.6611687916716003
Energy: 1.1890008789099726
Energy: 0.6611687916789099
Energy: 1.6492538612897405
Energy: 0.6621752629869667
Energy: 1.1890387453872346
Energy: 0.6621752629705201
Energy: 1.6463317444294512
Energy: 0.6635649041947441
Energy: 1.4970529988832733
Energy: 0.663564904194135
Energy: 1.8066642127273185
Energy: 0.6622116043876327
Energy: 1.181816449866785
Energy: 0.6622116049209856
Energy: 1.6494415323553935
Energy: 0.9832255927873619
Energy: 1.499010998716408
Energy: 0.9832255927867528
Energy: 1.649752800341129
Energy: 1.227781338269715
Energy: 1.8058814208085427
Energy: 1.227781338269106
Energy: 1.4968506717940742
Energy: 0.7873469024532074
Energy: 1.5638967446678957
Energy: 0.7873469024659991
Energy: 1.3494474787511934
Energy: 0.6612537304291632
Energy: 1.8059513495936026
Energy: 0.661253730427945
Energy: 1.4961114469639398
Energy: 0.6613427210386104
Energy: 1.804579651013858
Energy: 0.6613427210434835
Energy: 1.1923966813481346
Energy: 0.6633410808163648
Energy: 1.4929152377120571
Energy: 0.6633410808188013
Energy: 1.0170137697394914
Energy: 0.6614937370006159
Energy: 2.1108805733468463
Energy: 0.6614937369993976
Energy: 1.193974201612396
Energy: 0.6643871286190086
Energy: 1.8000197555094182
Energy: 0.6643871286196178
Energy: 0.8580786869795348
Energy: 0.6643297788955711
Energy: 1.7999184099631096
Energy: 0.664329778894962
Energy: 0.8399606726536173
Energy: 0.6616247677224665
Energy: 2.1162294752602206
Energy: 0.6616247677242938
Energy: 0.8725248721740178
Energy: 0.663864410072269
Energy: 2.1026376244183766
Energy: 0.6638644100710508
Energy: 0.6624725628115217
Energy: 0.662645646636488
Energy: 2.1024264779699156
Energy: 0.6626456466358789
Energy: 0.6627117287416961
Energy: 0.6622325234563542
Energy: 2.2704180405945866
Energy: 0.6622325234557451
Energy: 0.661733998397027
Energy: 0.6656231804711645
Energy: 1.9513947413149446
Energy: 0.6656231804723828
Energy: 0.8567661405998694
Energy: 0.6649962440096214
Energy: 2.2525639284226004
Energy: 0.6649962440065759
Energy: 0.8454239387560987
Energy: 0.6616061202984272
Energy: 2.112212908243195
Energy: 0.6616061202990363
Energy: 0.8724438496602974
Energy: 0.6619088698482068
Energy: 1.6456058305831833
Energy: 0.6619088697757475
Energy: 1.1890650801030545
Energy: 0.6621816132456189
Energy: 2.1099679756338845
Energy: 0.6621816132425732
Energy: 1.187540028262999
Energy: 0.6614485325023204
Energy: 1.9585377372995312
Energy: 0.6614485325029296
Energy: 1.1907687803092468
Energy: 0.6624030326913083
Energy: 1.6463959918054956
Energy: 0.6624030326931356
Energy: 1.5050001362726262
Energy: 0.6626620282694359
Energy: 1.9679846413406843
Energy: 0.6626620282688268
Energy: 1.4973406983516295
Energy: 0.661441690585155
Energy: 1.6509963128542129
Energy: 0.6614416906088836
Energy: 1.665140775820003
Energy: 0.7870556137930946
Energy: 1.3460056626423278
Energy: 0.7870556137924855
Energy: 1.502117165481016
Energy: 0.7870083283129192
Energy: 1.6643040591338607
Energy: 0.7870083283092645
Energy: 1.8084915911531187
Energy: 0.6624748974377741
Energy: 1.33848102205277
Energy: 0.6624748974335102
Energy: 1.9674251227741786
Energy: 0.66115629473297
Energy: 1.3445997441052124
Energy: 0.6611562947475893
Energy: 1.55816287491109
Energy: 0.6638186807299101
Energy: 1.1895265822172958
Energy: 0.663818680812697
Energy: 2.1131578670895395
Energy: 0.661282277491173
Energy: 1.1882562028197048
Energy: 0.6612822774917821
Energy: 2.1070842970285315
Energy: 0.6622543982508733
Energy: 1.1857842359844262
Energy: 0.6622543982508733
Energy: 1.7997505727815268
Energy: 0.6617803980399257
Energy: 0.8500243233706019
Energy: 0.6617803980338622
Energy: 1.9681388788761731
Energy: 0.6613532834917409
Energy: 0.8472060046302707
Energy: 0.66135328349235
Energy: 2.1024057403439387
Energy: 0.6622460987594309
Energy: 0.8582031922883079
Energy: 0.6622460987576034
Energy: 1.7998112850259975
Energy: 0.661887922875798
Energy: 0.6616560373985506
Energy: 0.6618879228739706
Energy: 2.1136719807933138
Energy: 0.6619459720631534
Energy: 0.6622682817561957
Energy: 0.6619459720643718
Energy: 1.9509804752611952
Energy: 0.6618329302067605
Energy: 0.6617360544227948
Energy: 0.6618329302067605

minimum gb energy = 0.66115629473297 eV
minimum distance =  2.1921277684139 Angstroms
sigma value = 113


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

Energy: 0.02020483067475558
Energy: 0.5815362244284376
Energy: 1.7364222147835648
Energy: 0.0221620263270364
Energy: 1.3109748800462198
Energy: 0.16535767666881326
Energy: 1.3143304885663072
Energy: 0.16535767666928156
Energy: 0.020813055021055224
Energy: 0.16289055050524434
Energy: 1.3125290954009199
Energy: 0.1628905505038916
Energy: 0.02261218138163539
Energy: 0.1629106358827901
Energy: 1.3093405935749067
Energy: 0.1629106358827901
Energy: 1.3120125459959038
Energy: 0.1629531222893047
Energy: 1.3116993680167415
Energy: 0.16295312228883643
Energy: 0.020789079679557745
Energy: 0.16242345732601818
Energy: 1.3119421680883299
Energy: 0.1624234573264344

minimum gb energy = 0.02020483067475558 eV
minimum distance =  2.45530403492808 Angstroms
sigma value = 1