Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_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=3.521391749382019
cohesive_energy=4.450350014731871
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: 0.018145592212179512
Energy: 0.018564641949759247
Energy: 1.2188013443522374
Energy: 0.018564641949759247
Energy: 0.018564641949759247
Energy: 0.8962164812498788
Energy: 0.018564641949759247
Energy: 0.8962164812498788
Energy: 1.2188013443528616
Energy: 0.018564641949759247
Energy: 0.018145592212179512
Energy: 0.018564641949759247
Energy: 0.018564641949759247
Energy: 0.8962164812498788
Energy: 0.018564641949759247
Energy: 0.8962164812498788

minimum gb energy = 0.018145592212179512 eV
minimum distance =  2.42384923124898 Angstroms
sigma value = 1


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

Energy: 1.3856226602741246
Energy: 1.4182856636758225
Energy: 1.3512465083940939
Energy: 1.4182856636758225
Energy: 1.321122653433635
Energy: 1.376771704215972
Energy: 1.3272282304019143
Energy: 1.376771704215972
Energy: 1.2834428692773456
Energy: 1.4022641239435123
Energy: 1.3322450171053868
Energy: 1.4022641239443139
Energy: 1.3102112400219055
Energy: 1.3002037836945122
Energy: 1.2744655847471442
Energy: 1.3002037836937106
Energy: 1.3137273923194703
Energy: 1.4202277165660886
Energy: 1.3254803628712972
Energy: 1.4202277165660886
Energy: 1.270020949801844
Energy: 1.4658007697594566
Energy: 1.2303423291012359
Energy: 1.4658007697594566
Energy: 1.3225640254015578
Energy: 1.3682700060681565
Energy: 1.2709555452260899
Energy: 1.368270006067355
Energy: 1.2330219291279978
Energy: 1.4254978535838323
Energy: 1.224537903761716
Energy: 1.4254978535838323
Energy: 1.276671501291595
Energy: 1.5535963144123819
Energy: 1.4250142690799195
Energy: 1.5535963144123819
Energy: 1.2312972888334026
Energy: 1.4010895159684567
Energy: 1.2290918084219158
Energy: 1.4010895159676549
Energy: 1.4473755423684533
Energy: 1.3790589869484584
Energy: 1.2768156799893453
Energy: 1.3790589869492602
Energy: 1.3445283051242871
Energy: 1.419272758597568
Energy: 1.2486437098310352
Energy: 1.419272758597568
Energy: 1.3254098051805292
Energy: 1.3674364992102266
Energy: 1.3594481349253855
Energy: 1.3674364992109556
Energy: 1.3310110214040076
Energy: 1.3853480342196485
Energy: 1.2623062078334475
Energy: 1.385348034218847
Energy: 1.3064026437000136
Energy: 1.4193657864619198
Energy: 1.32019249491593
Energy: 1.4193657864603164
Energy: 1.3049492684001047
Energy: 1.389929716900177
Energy: 1.3205786292982196
Energy: 1.3899297168993754
Energy: 1.3323167151223232
Energy: 1.4023779121069928
Energy: 1.2538580259397154
Energy: 1.4023779121061912
Energy: 1.3271891820141433
Energy: 1.3681299445944135
Energy: 1.455625428223916
Energy: 1.368129944593612
Energy: 1.2411387200343065
Energy: 1.422866820719724
Energy: 1.2472556105773942
Energy: 1.422866820719724
Energy: 1.4453863316545326
Energy: 1.724676130487734
Energy: 1.2797497355774772
Energy: 1.724676130487734
Energy: 1.2350218480931683
Energy: 1.4025790929620354
Energy: 1.2297740735845972
Energy: 1.4025790929612338
Energy: 1.2769779167757842
Energy: 1.4774705320172261
Energy: 1.4235219916915085
Energy: 1.4774705320172261
Energy: 1.3771002446942797
Energy: 1.4198050844621013
Energy: 1.2578326016089407
Energy: 1.4198050844621013
Energy: 1.3576365543289293
Energy: 1.4008264024871937
Energy: 1.2697642132628821
Energy: 1.4008264024863921
Energy: 1.27087820785368
Energy: 1.4661304845642642
Energy: 1.4067388185498493
Energy: 1.4661304845642642
Energy: 1.3200642821692237
Energy: 1.424440034768136
Energy: 1.2866936952397356
Energy: 1.4244400347673345
Energy: 1.315543572100736
Energy: 1.5369415785828744
Energy: 1.2764274375992188
Energy: 1.5369415785828744
Energy: 1.4247612077580394
Energy: 1.3987973817448713
Energy: 1.358062626237764
Energy: 1.3987973817448713
Energy: 1.3200237098192926
Energy: 1.3688467786241127
Energy: 1.3194243285283722
Energy: 1.3688467786233112
Energy: 1.38397922392887
Energy: 1.4199663935289102
Energy: 1.344877567791077
Energy: 1.4199663935281086
Energy: 1.3252711427471109
Energy: 1.367370226228427
Energy: 1.3253473083411258
Energy: 1.3673702262292287
Energy: 1.285088464888412
Energy: 1.399948882367032
Energy: 1.3308733111499524
Energy: 1.399948882367032
Energy: 1.313487642947246
Energy: 1.3004152456755549
Energy: 1.2747664455172536
Energy: 1.3004152456739517

minimum gb energy = 1.224537903761716 eV
minimum distance =  2.26240103367746 Angstroms
sigma value = 1


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

Energy: 1.449603391909952
Energy: 1.4565934739344728
Energy: 1.414617394312769
Energy: 1.4565934739335593
Energy: 1.3520807498063288
Energy: 1.4360588150694824
Energy: 1.3673320692145494
Energy: 1.4360588150694824
Energy: 1.3356852020962715
Energy: 1.4467361488428945
Energy: 1.3698725235176903
Energy: 1.4467361488419805
Energy: 1.3033567799984742
Energy: 1.3202758744317187
Energy: 1.3107772538562052
Energy: 1.3202758744289766
Energy: 1.3026541116852888
Energy: 1.423442337419272
Energy: 1.4387815667354529
Energy: 1.4234423374174439
Energy: 1.4222527986624747
Energy: 1.4230065232558293
Energy: 1.3682391274246413
Energy: 1.4230065232558293
Energy: 1.433263843001015
Energy: 1.5140598615217864
Energy: 1.3167869598002124
Energy: 1.5140598615208725
Energy: 1.2733857588120274
Energy: 1.4466507351869449
Energy: 1.2811011494841333
Energy: 1.446650735188773
Energy: 1.3077969547316974
Energy: 1.832866579009965
Energy: 1.5144197892842495
Energy: 1.8328665790090508
Energy: 1.288655241730437
Energy: 1.4467348667466295
Energy: 1.403856571114337
Energy: 1.4467348667457154
Energy: 1.350793778595228
Energy: 1.3819935992476184
Energy: 1.3702483425247647
Energy: 1.3819935992503605
Energy: 1.2912108256354229
Energy: 1.4553924734510668
Energy: 1.3335952243767117
Energy: 1.4553924734501527
Energy: 1.3928197633583697
Energy: 1.4171396928340945
Energy: 1.3521606159024067
Energy: 1.4171396928322666
Energy: 1.3925645459759826
Energy: 1.4163438821464547
Energy: 1.3404721811590186
Energy: 1.4163438821455405
Energy: 1.2913004347955752
Energy: 1.4557248040832316
Energy: 1.3968898077042824
Energy: 1.4557248040841455
Energy: 1.350846103985372
Energy: 1.382652366315272
Energy: 1.3672851539975397
Energy: 1.3826523663143582
Energy: 1.288421746408956
Energy: 1.4467319449689602
Energy: 1.2851006835092522
Energy: 1.446731944965304
Energy: 1.307807375236759
Energy: 1.8328668302685212
Energy: 1.514494278886542
Energy: 1.8328668302703492
Energy: 1.2733855904310705
Energy: 1.4467901903209168
Energy: 1.2827719410656784
Energy: 1.4467901903227447
Energy: 1.4330406598890248
Energy: 1.514026085098739
Energy: 1.3105128239225583
Energy: 1.514026085097825
Energy: 1.4222576566484408
Energy: 1.537979566457407
Energy: 1.2800873733212756
Energy: 1.5379795664555789
Energy: 1.3042705929502998
Energy: 1.4227030673173442
Energy: 1.3554799303392038
Energy: 1.4227030673164303
Energy: 1.3040642605898902
Energy: 1.3206543761796516
Energy: 1.3075652854052657
Energy: 1.3206543761778238
Energy: 1.3356561894499033
Energy: 1.4467183325256971
Energy: 1.399906663416461
Energy: 1.4467183325247832
Energy: 1.3520455725140437
Energy: 1.4361437090650626
Energy: 1.367106139829341
Energy: 1.4361437090668907
Energy: 1.449603391909952
Energy: 1.4565934739335593
Energy: 1.4146173943118547
Energy: 1.4565934739335593
Energy: 1.3520807498072427
Energy: 1.4360588150703966
Energy: 1.3673320692145494
Energy: 1.4360588150694824
Energy: 1.3356852020962715
Energy: 1.4467361488438086
Energy: 1.333805056850863
Energy: 1.4467361488438086
Energy: 1.30335677999756
Energy: 1.3202758744317187
Energy: 1.3107772538562052
Energy: 1.3202758744308045

minimum gb energy = 1.2733855904310705 eV
minimum distance =  2.2412041491809 Angstroms
sigma value = 25


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

Energy: 1.3954420409778658
Energy: 1.5393391975411173
Energy: 1.564066865018913
Energy: 1.5393391975411173
Energy: 1.4219226538762908
Energy: 1.4708567741159464
Energy: 1.3615981351042683
Energy: 1.4708567741159464
Energy: 1.3920741159968546
Energy: 1.589491584897561
Energy: 1.3532521442567544
Energy: 1.589491584897561
Energy: 1.3603979259629486
Energy: 1.3720985465136075
Energy: 1.3480112937849573
Energy: 1.3720985465136075
Energy: 1.3487736420271061
Energy: 1.4659207796210192
Energy: 1.5217409374395603
Energy: 1.465920779622082
Energy: 1.4924571735930927
Energy: 1.4980851448359513
Energy: 1.5250176463392031
Energy: 1.4980851448359513
Energy: 1.5246891648054828
Energy: 1.6092017318792617
Energy: 1.383088929916536
Energy: 1.609201731878199
Energy: 1.613662615354686
Energy: 1.5437329343765078
Energy: 1.333148415735035
Energy: 1.5437329343765078
Energy: 1.3833550509155454
Energy: 1.5153958747610075
Energy: 1.4261407767963312
Energy: 1.515395874759945
Energy: 1.355702499713824
Energy: 1.498605701161239
Energy: 1.3405880742267924
Energy: 1.498605701161239
Energy: 1.411798640859815
Energy: 1.4531028208015426
Energy: 1.4195260540858987
Energy: 1.4531028208015426
Energy: 1.4090872493294295
Energy: 1.5426427131265539
Energy: 1.360697021426004
Energy: 1.5426427131265539
Energy: 1.3534425954468519
Energy: 1.4608127848319226
Energy: 1.3407328581852358
Energy: 1.4608127848319226
Energy: 1.3839926645213962
Energy: 1.3494698787658868
Energy: 1.4263986357729896
Energy: 1.3494698787658868
Energy: 1.4671421691066882
Energy: 1.5474002733633476
Energy: 1.3297712843881864
Energy: 1.5474002733622851
Energy: 1.4253029039563037
Energy: 1.37267602298338
Energy: 1.3490255630699488
Energy: 1.37267602298338
Energy: 1.3179959447977054
Energy: 1.5761975586491517
Energy: 1.317952410219174
Energy: 1.576197558650214
Energy: 1.3495201998800093
Energy: 1.4834274290579728
Energy: 1.5209230651504901
Energy: 1.4834274290590352
Energy: 1.338779685964462
Energy: 1.3731948484455434
Energy: 1.3484627940844127
Energy: 1.3731948484476684
Energy: 1.425802528136739
Energy: 1.4973738584166079
Energy: 1.3649493978248126
Energy: 1.4973738584166079
Energy: 1.3738400797975676
Energy: 1.4716521402869636
Energy: 1.3644209361627073
Energy: 1.4716521402869636
Energy: 1.3958420162161367
Energy: 1.540029838212587
Energy: 1.4941711347434465
Energy: 1.540029838212587
Energy: 1.4202970048256063
Energy: 1.4652794357270333
Energy: 1.3502098345661817
Energy: 1.4652794357270333
Energy: 1.393340678431422
Energy: 1.5873699975835538
Energy: 1.3555999965748575
Energy: 1.5873699975835538
Energy: 1.589730686911699
Energy: 1.3742814484051564
Energy: 1.3489608196942222
Energy: 1.3742814484051564

minimum gb energy = 1.317952410219174 eV
minimum distance =  2.2466616369249 Angstroms
sigma value = 9


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

Energy: 1.4276482685294234
Energy: 1.4288935574375872
Energy: 1.7254620472477467
Energy: 1.4288935574375872
Energy: 1.409401214015719
Energy: 1.5292591297449025
Energy: 1.4218034490034128
Energy: 1.5292591297449025
Energy: 1.4466419957145824
Energy: 1.4439355240744625
Energy: 1.4324567151991345
Energy: 1.44393552407573
Energy: 1.625123499471658
Energy: 1.5746449459649199
Energy: 1.378355228014661
Energy: 1.5746449459649199
Energy: 1.5641123502719398
Energy: 1.5187531134839392
Energy: 1.6257140635242968
Energy: 1.5187531134839392
Energy: 1.3545905311214577
Energy: 1.4745294903877753
Energy: 1.7257018371079813
Energy: 1.4745294903865078
Energy: 1.4001473896242944
Energy: 1.378719475739288
Energy: 1.378885657055191
Energy: 1.378719475739288
Energy: 1.5344582704424663
Energy: 1.4132349711967376
Energy: 1.374807328509934
Energy: 1.4132349711967376
Energy: 1.4300268199427169
Energy: 1.530211631118551
Energy: 1.48947761057817
Energy: 1.5302116311172838
Energy: 1.4298493773613281
Energy: 1.4370947356515753
Energy: 1.4774286380366863
Energy: 1.4370947356503077
Energy: 1.3744001453765298
Energy: 1.535908259284437
Energy: 1.418943755623273
Energy: 1.5359082592857047
Energy: 1.526132070705266
Energy: 1.5919312638489826
Energy: 1.3783184370307784
Energy: 1.5919312638489826
Energy: 1.3527351723697176
Energy: 1.4761548919442176
Energy: 1.532477199561943
Energy: 1.4761548919429504
Energy: 1.4483877735356252
Energy: 1.4150935734027936
Energy: 1.5456330327417926
Energy: 1.415093573401526
Energy: 1.3527436659885579
Energy: 1.4739454322454215
Energy: 1.5342032886629473
Energy: 1.4739454322454215
Energy: 1.5259727668816485
Energy: 1.5919559129264356
Energy: 1.3783421149816313
Energy: 1.5919559129277032
Energy: 1.374413988183644
Energy: 1.535786069286107
Energy: 1.4246050173397564
Energy: 1.535786069286107
Energy: 1.4298496737142308
Energy: 1.4745597014295164
Energy: 1.4774371040039205
Energy: 1.4745597014307839
Energy: 1.4290331605410698
Energy: 1.5302756842132523
Energy: 1.4222285015121372
Energy: 1.5302756842132523
Energy: 1.5343621174543067
Energy: 1.4131061421420466
Energy: 1.3747884479468986
Energy: 1.4131061421407791
Energy: 1.3990072254239387
Energy: 1.3787059397945847
Energy: 1.3788894101008715
Energy: 1.3787059397958525

minimum gb energy = 1.3527351723697176 eV
minimum distance =  2.31339572166673 Angstroms
sigma value = 25


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

Energy: 1.4038468139318185
Energy: 1.5590698860834504
Energy: 1.5920723829379324
Energy: 1.5590698860834504
Energy: 1.3763383554047028
Energy: 1.575541607674778
Energy: 1.3704929365801715
Energy: 1.5755416076763455
Energy: 1.5071770377402187
Energy: 1.5775746495684015
Energy: 1.3691375711025104
Energy: 1.5775746495699692
Energy: 1.5539641025283748
Energy: 1.5878090042776396
Energy: 1.591883302139286
Energy: 1.5878090042776396
Energy: 1.589014560552805
Energy: 1.376877898634164
Energy: 1.4759767935140709
Energy: 1.376877898634164
Energy: 1.3696009554330475
Energy: 1.578743755472745
Energy: 1.8355473602745624
Energy: 1.578743755472745
Energy: 1.3697744561907623
Energy: 1.5246702336348688
Energy: 1.506884956567208
Energy: 1.5246702336348688
Energy: 1.578621137023883
Energy: 1.6018124366697999
Energy: 1.4027709494077252
Energy: 1.6018124366697999
Energy: 1.3675552755166251
Energy: 1.479811148395542
Energy: 1.3802639331799713
Energy: 1.479811148395542
Energy: 1.6206781004619781
Energy: 1.5517372930741398
Energy: 1.506734613086745
Energy: 1.5517372930741398
Energy: 1.5005894492145055
Energy: 1.5601400027588699
Energy: 1.7965091845214085
Energy: 1.5601400027588699
Energy: 1.3698551791027964
Energy: 1.4710150758050549
Energy: 1.6211587436074222
Energy: 1.4710150758034874
Energy: 1.5909647709842925
Energy: 1.5776832302718633
Energy: 1.36828697672692
Energy: 1.5776832302718633
Energy: 1.3701548157318582
Energy: 1.5608261391567848
Energy: 1.5533051877436752
Energy: 1.5608261391567848
Energy: 1.4772639028997157
Energy: 1.5622549026182988
Energy: 1.7161360787401563
Energy: 1.5622549026198667
Energy: 1.3799615098532971
Energy: 1.513941251964694
Energy: 1.3696212874336409
Energy: 1.513941251964694
Energy: 1.509038403742999
Energy: 1.497553625625595
Energy: 1.6191961878690446
Energy: 1.497553625625595

minimum gb energy = 1.3675552755166251 eV
minimum distance =  2.30413927879873 Angstroms
sigma value = 17


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

Energy: 1.4665243242658135
Energy: 1.4683232388102694
Energy: 1.8223507686852767
Energy: 1.4683232388049428
Energy: 1.5620036106469712
Energy: 1.5281452661287542
Energy: 1.3809993439941677
Energy: 1.5281452661278665
Energy: 1.7141365099178516
Energy: 1.479500680038611
Energy: 1.3820859098598122
Energy: 1.479500680038611
Energy: 1.4790543214256826
Energy: 1.6368092527865237
Energy: 1.5097834064760172
Energy: 1.6368092527874116
Energy: 1.6379194525663712
Energy: 1.459398646502997
Energy: 1.4297113253335747
Energy: 1.4593986465012214
Energy: 1.3961989258416985
Energy: 1.4883451575998758
Energy: 1.8923181850606612
Energy: 1.4883451576007638
Energy: 1.4666754172404528
Energy: 1.5197443640317547
Energy: 1.3809785317368446
Energy: 1.5197443640317547
Energy: 1.7139445612462152
Energy: 1.4897629277560906
Energy: 1.3936566709815421
Energy: 1.489762927755203
Energy: 1.397644815359962
Energy: 1.5995598943909075
Energy: 1.6357302362897232
Energy: 1.5995598943909075
Energy: 1.7664209362019456
Energy: 1.460866662431975
Energy: 1.381564603193292
Energy: 1.460866662431975
Energy: 1.3853485417282394
Energy: 1.5353871698323873
Energy: 1.8825443789778264
Energy: 1.5353871698314996
Energy: 1.3931239189728624
Energy: 1.5200628540244479
Energy: 1.3949976541531752
Energy: 1.5200628540226722
Energy: 1.8372731462360095
Energy: 1.468077108027899
Energy: 1.4715705844742593
Energy: 1.468077108027899
Energy: 1.3809374898720468
Energy: 1.6202445789400712
Energy: 1.5636423730935982
Energy: 1.6202445789409587
Energy: 1.5185734089455631
Energy: 1.5205995246583044
Energy: 1.4846967552869257
Energy: 1.5205995246583044
Energy: 1.6071427864285173
Energy: 1.4892663611059607
Energy: 1.610225266073196
Energy: 1.4892663611068488
Energy: 1.3815466359235427
Energy: 1.5719117515137089
Energy: 1.7208454431680262
Energy: 1.5719117515137089
Energy: 1.6632479501079205
Energy: 1.457555658033394
Energy: 1.39606407339478
Energy: 1.4575556580351698
Energy: 1.4469395519851842
Energy: 1.552413169363148
Energy: 1.4555437028509277
Energy: 1.552413169364036
Energy: 1.3807566531209836
Energy: 1.6399448968778128
Energy: 1.4714652650986502
Energy: 1.639944896876925
Energy: 1.4937865961229588
Energy: 1.4796953476580088
Energy: 1.6045520912304392
Energy: 1.4796953476580088
Energy: 1.3826426948433526
Energy: 1.6882818863547726
Energy: 1.7613245823844148
Energy: 1.6882818863539253
Energy: 1.6387314953075884
Energy: 1.5322426771239583
Energy: 1.3800080394536323
Energy: 1.5322426771239583
Energy: 1.393801655438268
Energy: 1.5631171484159656
Energy: 1.6792475813293046
Energy: 1.5631171484150777
Energy: 1.4582378683936237
Energy: 1.4802241568068915
Energy: 1.6827494595224906
Energy: 1.4802241569799288
Energy: 1.6343301098311962
Energy: 1.496146390592471
Energy: 1.3817570279868536
Energy: 1.496146390592471
Energy: 1.4151055481286456
Energy: 1.6805871784223554
Energy: 1.795926755338221
Energy: 1.6805871784223554
Energy: 1.554164949085132
Energy: 1.487873191307791
Energy: 1.605990249777531
Energy: 1.4878731913069032
Energy: 1.663336098874328
Energy: 1.6405239373889406
Energy: 1.4703108285485584
Energy: 1.6405239373889406
Energy: 1.393673276363585
Energy: 1.552660564389199
Energy: 1.6626576381334386
Energy: 1.552660564389199

minimum gb energy = 1.3800080394536323 eV
minimum distance =  2.19616974760223 Angstroms
sigma value = 53


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

Energy: 1.2709275082898202
Energy: 1.2703452898539043
Energy: 1.7507071775844034
Energy: 1.2703452898539043
Energy: 1.5918110843841313
Energy: 1.4260227082076238
Energy: 1.517211523297345
Energy: 1.4260227082076238
Energy: 1.2712049556161371
Energy: 1.270324039532211
Energy: 1.5771503232092279
Energy: 1.2703240395342548
Energy: 1.271585407103532
Energy: 1.2703466031795112
Energy: 1.4582972134755754
Energy: 1.2703466031795112
Energy: 1.5918918636599904
Energy: 1.4262094010959803
Energy: 1.5136777208705776
Energy: 1.4262094010980244
Energy: 1.2709275082898202
Energy: 1.2703452898539043
Energy: 1.75024206942934
Energy: 1.2703452898539043
Energy: 1.5918110843841313
Energy: 1.4260227082076238
Energy: 1.517211523297345
Energy: 1.4260227082076238
Energy: 1.2712049556161371
Energy: 1.270324039532211
Energy: 1.5771503232092279
Energy: 1.2703240395342548
Energy: 1.271585407103532
Energy: 1.2703466031795112
Energy: 1.4330980712015882
Energy: 1.2703466031795112
Energy: 1.5918918636599904
Energy: 1.4262094010959803
Energy: 1.5109719015579268
Energy: 1.4262094010959803
Energy: 1.2709275082898202
Energy: 1.2703452898539043
Energy: 1.8479572643676943
Energy: 1.2703452898539043
Energy: 1.5918110843841313
Energy: 1.4260227082076238
Energy: 1.517211523297345
Energy: 1.4260227082076238
Energy: 1.2712049556161371
Energy: 1.2703240395342548
Energy: 1.5771503232092279
Energy: 1.2703240395342548

minimum gb energy = 1.270324039532211 eV
minimum distance =  2.2825808271343 Angstroms
sigma value = 9


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

Energy: 1.4509961676281478
Energy: 1.641384305499404
Energy: 1.9579356152064622
Energy: 1.6413843055001605
Energy: 1.764191836431248
Energy: 1.52762826567624
Energy: 1.4343429094431277
Energy: 1.5276282656769964
Energy: 1.4543261269301402
Energy: 1.4850858717710154
Energy: 1.3985612328127748
Energy: 1.4850858717710154
Energy: 1.6452939828069664
Energy: 1.6851248277738649
Energy: 1.4678721642813939
Energy: 1.6851248277746214
Energy: 1.7227722521579474
Energy: 1.494294588745147
Energy: 1.3774272297673316
Energy: 1.4942945887459036
Energy: 1.4276940153612976
Energy: 1.4268651778670094
Energy: 1.9342119644780145
Energy: 1.426865177870035
Energy: 1.9267050159816157
Energy: 1.460235640629924
Energy: 1.4467254938804066
Energy: 1.460235640628411
Energy: 1.4433052978342868
Energy: 1.6791237286891638
Energy: 1.6045486599942367
Energy: 1.6791237286914333
Energy: 1.4516840864619447
Energy: 1.5216095986553366
Energy: 1.424536436819004
Energy: 1.5216095986545801
Energy: 1.482765995175384
Energy: 1.5186809777716628
Energy: 1.4245359333680037
Energy: 1.5186809777709063
Energy: 1.4436141542188339
Energy: 1.7333537733352724
Energy: 1.8638801991614993
Energy: 1.7333537733330031
Energy: 1.6784477070922939
Energy: 1.5979495644608885
Energy: 1.4612093706174412
Energy: 1.597949564460132
Energy: 1.4375193591690993
Energy: 1.584727451040033
Energy: 1.72291971056601
Energy: 1.584727451040033
Energy: 1.6411813802757296
Energy: 1.6622821488588513
Energy: 1.4030389565721877
Energy: 1.6622821488596078
Energy: 1.43474965241396
Energy: 1.553356850070949
Energy: 1.60175347124569
Energy: 1.5533568500717054
Energy: 1.4386890042460276
Energy: 1.6557190510391653
Energy: 1.6243230477807993
Energy: 1.6557190510391653
Energy: 1.561262251529164
Energy: 1.4726635648931246
Energy: 1.4486990573543321
Energy: 1.4726635655260039
Energy: 1.4423869311148112
Energy: 1.460597825021273
Energy: 1.7210994920757876
Energy: 1.460597825021273
Energy: 1.8291616034790608
Energy: 1.6251516763688512
Energy: 1.4313371491998432
Energy: 1.625151676371121
Energy: 1.429860136412284
Energy: 1.5132265209828188
Energy: 1.6531303117291993
Energy: 1.5132265209805495
Energy: 1.5973537007696041
Energy: 1.651633131623517
Energy: 1.6086912556058468
Energy: 1.6516331316250301
Energy: 1.571267115732458
Energy: 1.3994218175947661
Energy: 1.4424781417218007
Energy: 1.3994218175955226
Energy: 1.4253959560840554
Energy: 1.524332860100777
Energy: 1.5234867599728272
Energy: 1.5243328600992643
Energy: 1.8834911163072694
Energy: 1.53892550457777
Energy: 1.4558428113741426
Energy: 1.5389255045785266
Energy: 1.4470568072205434
Energy: 1.6913692043865634
Energy: 1.8671815679620192
Energy: 1.691369204384294
Energy: 1.5217333907101984
Energy: 1.4878250809188243
Energy: 1.4483344989420874
Energy: 1.487825080920337
Energy: 1.523455180974589
Energy: 1.5490460680887337
Energy: 1.6504123408262183
Energy: 1.5490460680910034
Energy: 1.4477817963611814
Energy: 1.6095581430144388
Energy: 1.6595325988777916
Energy: 1.6095581430136825
Energy: 1.5355689692882761
Energy: 1.433751277483214
Energy: 1.4387837933830938
Energy: 1.4337512774824577
Energy: 1.4497465930747102
Energy: 1.5599632438216025
Energy: 1.8514763797107
Energy: 1.5599632438193332
Energy: 1.75589622705521
Energy: 1.724219550276602
Energy: 1.4485610334925827
Energy: 1.724219550280384
Energy: 1.4253483472671893
Energy: 1.512820655813586
Energy: 1.497637245137551
Energy: 1.5128206558128294
Energy: 1.4711966942126986
Energy: 1.558914488710065
Energy: 1.4557606097318398
Energy: 1.558914488708552
Energy: 1.6096042367359396
Energy: 1.6541118195422646
Energy: 1.5985737935893574
Energy: 1.6541118195407516
Energy: 1.4402823543536571
Energy: 1.7203845576414856
Energy: 1.9015222917596606
Energy: 1.7203845576437553

minimum gb energy = 1.3774272297673316 eV
minimum distance =  2.15218490736737 Angstroms
sigma value = 73


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

Energy: 1.4571515704359121
Energy: 1.4577819794795994
Energy: 1.8526767856392097
Energy: 1.4577819794807994
Energy: 1.6227903211040193
Energy: 1.6186940457594021
Energy: 1.435592231079759
Energy: 1.6186940457594021
Energy: 1.4428393918332991
Energy: 1.4614360765898209
Energy: 1.3924106541928105
Energy: 1.461436076591021
Energy: 1.4533410223263794
Energy: 1.584597429000181
Energy: 1.4910031817893643
Energy: 1.5845974289989808
Energy: 1.477010868158413
Energy: 1.5248093645857677
Energy: 1.3922606732493894
Energy: 1.5248093645857677
Energy: 1.4443156283175933
Energy: 1.4028812019050736
Energy: 1.8595575119827876
Energy: 1.4028812019050736
Energy: 1.9329738473162512
Energy: 1.6189839145260412
Energy: 1.4733358099453495
Energy: 1.6189839145260412
Energy: 1.4320246932805072
Energy: 1.3639779348642809
Energy: 1.726112377875123
Energy: 1.3639779348630805
Energy: 1.9510864529944283
Energy: 1.3652264405634547
Energy: 1.3633574029917324
Energy: 1.3652264405622545
Energy: 1.4349362597411395
Energy: 1.5549886738968453
Energy: 1.36432669245458
Energy: 1.5549886738980454
Energy: 1.4294171895759458
Energy: 1.458837951402551
Energy: 1.8043079989251742
Energy: 1.458837951402551
Energy: 1.6151227910755082
Energy: 1.4119112541986352
Energy: 1.4532832612233935
Energy: 1.411911254197435
Energy: 1.4469048431236164
Energy: 1.4845860262194115
Energy: 1.8223957834548175
Energy: 1.4845860262194115
Energy: 1.8335632353757518
Energy: 1.5802425972522545
Energy: 1.4901849162217973
Energy: 1.5802425972534546
Energy: 1.4306104038505445
Energy: 1.652494053537205
Energy: 1.762833409519163
Energy: 1.6524940535360046
Energy: 1.7338085598374369
Energy: 1.5431080510541952
Energy: 1.4340535670432049
Energy: 1.5431080510541952
Energy: 1.46191391482145
Energy: 1.4624994882410058
Energy: 1.4440850100423126
Energy: 1.4624994882410058
Energy: 1.4568007609074862
Energy: 1.4576257541841995
Energy: 1.472880698656124
Energy: 1.4576257541841995
Energy: 1.571182597163514
Energy: 1.4587441570044777
Energy: 1.4396295947558297
Energy: 1.4587441570032773
Energy: 1.4653975962323782
Energy: 1.5222646909140038
Energy: 1.8980271783198255
Energy: 1.5222646909140038
Energy: 1.8437518468875467
Energy: 1.4563864119177372
Energy: 1.4447697498773073
Energy: 1.4563864119177372
Energy: 1.4910873763316175
Energy: 1.517404071666019
Energy: 1.5981977690166966
Energy: 1.5174040716672192

minimum gb energy = 1.3633574029917324 eV
minimum distance =  2.22911054696318 Angstroms
sigma value = 7


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

Energy: 1.3835580413040027
Energy: 1.382411728811711
Energy: 1.9182148186940162
Energy: 1.3824117288108626
Energy: 1.7704833246497862
Energy: 1.45039241721563
Energy: 1.4698578387061418
Energy: 1.45039241721563
Energy: 1.39748357563238
Energy: 1.3856470510171797
Energy: 1.3949843441747687
Energy: 1.3856470510163308
Energy: 1.4649228282176596
Energy: 1.4873074035543699
Energy: 1.4278179634988406
Energy: 1.4873074035560672
Energy: 1.389183400082693
Energy: 1.488092106014392
Energy: 1.3716705251812757
Energy: 1.488092106014392
Energy: 1.4234313522246627
Energy: 1.509836517027897
Energy: 1.8863229072293894
Energy: 1.5098365170270482
Energy: 1.5883087046751998
Energy: 1.6092863675902607
Energy: 1.4860759881584957
Energy: 1.6092863675894122
Energy: 1.423288827296309
Energy: 1.5103195680973875
Energy: 1.9861959217370262
Energy: 1.5103195680982362
Energy: 1.5553184283958503
Energy: 1.4702559268452176
Energy: 1.425746838765017
Energy: 1.470255926844369
Energy: 1.4657888002956725
Energy: 1.4900592206262275
Energy: 1.507886619704695
Energy: 1.4900592206245304
Energy: 1.4713066244202322
Energy: 1.5548209381767566
Energy: 1.4666053294144967
Energy: 1.5548209381776052
Energy: 1.3825079446573982
Energy: 1.4878970193909988
Energy: 1.4541466066077517
Energy: 1.4878970193850583
Energy: 1.3844456946922132
Energy: 1.3819226560093067
Energy: 1.454101541690512
Energy: 1.3819226560101554
Energy: 1.3926172904065584
Energy: 1.5025472486130889
Energy: 1.4327241727606659
Energy: 1.5025472486130889
Energy: 1.4235664392873073
Energy: 1.6610979591656847
Energy: 1.7648427702774434
Energy: 1.6610979591639876
Energy: 1.9569368412791281
Energy: 1.3724391316417852
Energy: 1.4003965954279467
Energy: 1.3724391316443314
Energy: 1.422846013876791
Energy: 1.4736010694239652
Energy: 1.602389824195693
Energy: 1.4736010694265111
Energy: 1.3872380507094302
Energy: 1.4853895253789882
Energy: 1.4329851165612268
Energy: 1.4853895253781395
Energy: 1.4230769861226271
Energy: 1.5123062489809247
Energy: 1.434454140457833
Energy: 1.5123062489783787
Energy: 1.3850647049285856
Energy: 1.4920639899720456
Energy: 1.3729829475985278
Energy: 1.4920639899720456
Energy: 1.4471919948934195
Energy: 1.4142927777625514
Energy: 1.4256991015073635
Energy: 1.4142927777625514
Energy: 1.4221616990852965
Energy: 1.3807138974743187
Energy: 1.5096643291328564
Energy: 1.3807138974743187
Energy: 1.7823641008658295
Energy: 1.4706648671609532
Energy: 1.4334040861375028
Energy: 1.4706648671609532
Energy: 1.387808721885932
Energy: 1.3816545781744376
Energy: 1.9658141031860437
Energy: 1.381654578176135
Energy: 1.4339040562811307
Energy: 1.4916623613125795
Energy: 1.4307696176118896
Energy: 1.4916623613091848
Energy: 1.384350299243681
Energy: 1.5919735479536474
Energy: 1.4589929271747675
Energy: 1.5919735479536474
Energy: 1.3987696976726178
Energy: 1.4892225187997483
Energy: 1.3870551089203433
Energy: 1.4892225187997483
Energy: 1.5011281943443238
Energy: 1.4726590324091202
Energy: 1.4273868525939
Energy: 1.4726590324108175
Energy: 1.3976041641838517
Energy: 1.5100333488849011
Energy: 1.6393309771421447
Energy: 1.5100333488857498
Energy: 1.5784663740856923
Energy: 1.6429495989773564
Energy: 1.4684340005886813
Energy: 1.6429495989790537
Energy: 1.397695071118002
Energy: 1.5099382187394215
Energy: 1.7819968705648217
Energy: 1.5099382187411188

minimum gb energy = 1.3716705251812757 eV
minimum distance =  2.21471275244122 Angstroms
sigma value = 29


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

Energy: 1.260196851824959
Energy: 1.2465761554332866
Energy: 1.7186796980816998
Energy: 1.246576155432991
Energy: 1.479008114914804
Energy: 1.262920908787769
Energy: 1.2575520740536155
Energy: 1.262920908788327
Energy: 1.3972121464683884
Energy: 1.2614396284661362
Energy: 1.4788669722607404
Energy: 1.261439628466432
Energy: 1.25786598750944
Energy: 1.201492730444232
Energy: 1.4901162865630824
Energy: 1.201492730445677
Energy: 1.260900197080173
Energy: 1.2992815825509376
Energy: 1.4787200733477686
Energy: 1.2992815825512334
Energy: 1.304619624544726
Energy: 1.3309632381422458
Energy: 1.3048310108655545
Energy: 1.3309632381422458
Energy: 1.2463299851150056
Energy: 1.2994295804831058
Energy: 1.2609091950056086
Energy: 1.2994295804842886
Energy: 1.4900061284542938
Energy: 1.2013854172537284
Energy: 1.2577339699856276
Energy: 1.2013854172537284
Energy: 1.4788357551127813
Energy: 1.2614963246786786
Energy: 1.478825934711082
Energy: 1.2614963246789743

minimum gb energy = 1.2013854172537284 eV
minimum distance =  2.27120789406467 Angstroms
sigma value = 5


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

Energy: 1.3079048399840714
Energy: 1.3097190987315532
Energy: 1.6526088469638005
Energy: 1.3097190987323548
Energy: 1.4215576692789351
Energy: 1.329448434274912
Energy: 1.3284862023528217
Energy: 1.329448434274912
Energy: 1.278500222095705
Energy: 1.4196466555763723
Energy: 1.5602570751078033
Energy: 1.419646655577174
Energy: 1.2812715046951448
Energy: 1.388215039105196
Energy: 1.2850431936600675
Energy: 1.388215039105196
Energy: 1.3048671864312698
Energy: 1.3952989177208683
Energy: 1.4573168619848
Energy: 1.3952989177208683
Energy: 1.340561427010961
Energy: 1.4261325606060538
Energy: 1.2774345964601006
Energy: 1.426132560605252
Energy: 1.2722254396304242
Energy: 1.3919811109780558
Energy: 1.2723603719620886
Energy: 1.3919811109780558
Energy: 1.2726766061315427
Energy: 1.4278222674620733
Energy: 1.2949831668641694
Energy: 1.4278222674620733
Energy: 1.2800115423083491
Energy: 1.3928430873589912
Energy: 1.3367178715234853
Energy: 1.3928430873581894
Energy: 1.280325322271667
Energy: 1.3919787075679935
Energy: 1.282213800045645
Energy: 1.3919787075671917
Energy: 1.3420223114856609
Energy: 1.5321052433924824
Energy: 1.2812364513805112
Energy: 1.5321052433924824
Energy: 1.3335942463873258
Energy: 1.2949019545622877
Energy: 1.3088662899487626
Energy: 1.2949019545622877
Energy: 1.4058144885184214
Energy: 1.3104281117961727
Energy: 1.3101066739145417
Energy: 1.3104281117961727
Energy: 1.3024088522282737
Energy: 1.3090520314125333
Energy: 1.5583521634534616
Energy: 1.3090520314125333
Energy: 1.2990272482939857
Energy: 1.5345104881300209
Energy: 1.2810973919823083
Energy: 1.5345104881300209
Energy: 1.2821475321761604
Energy: 1.301562273876805
Energy: 1.6104524054006029
Energy: 1.301562273876805
Energy: 1.4573377847646527
Energy: 1.2959114026823926
Energy: 1.3051953529369102
Energy: 1.2959114026831944
Energy: 1.2876664324930358
Energy: 1.425955417110373
Energy: 1.7624578837183973
Energy: 1.425955417110373
Energy: 1.27729701804152
Energy: 1.3954569488083082
Energy: 1.2725492071716047
Energy: 1.3954569488099111
Energy: 1.2989872567517649
Energy: 1.5295345034350003
Energy: 1.2883590541340149
Energy: 1.5295345034350003
Energy: 1.3047962361732455
Energy: 1.3839529210038526
Energy: 1.280410754790709
Energy: 1.3839529210038526
Energy: 1.3387055451876793
Energy: 1.3917698364086255
Energy: 1.2799649249101517
Energy: 1.3917698364086255
Energy: 1.2829223042480267
Energy: 1.4280088558606356
Energy: 1.2934747885618283
Energy: 1.4280088558606356
Energy: 1.3081722992107476
Energy: 1.324512104062416
Energy: 1.3317193289625984
Energy: 1.3245121040616141
Energy: 1.3083276486490198
Energy: 1.3058983418972918
Energy: 1.3288845264145466
Energy: 1.3058983418964902
Energy: 1.2971336827992026
Energy: 1.3093392408508162
Energy: 1.307222337828141
Energy: 1.3093392408516178
Energy: 1.2836387330278125
Energy: 1.2703324487173886
Energy: 1.2882058472741806
Energy: 1.2703324487173886
Energy: 1.6350166474910806
Energy: 1.3551881010316913
Energy: 1.2822636272024586
Energy: 1.3551881010316913
Energy: 1.2932198027041606
Energy: 1.521317264100823
Energy: 1.4682538365953255
Energy: 1.5213172640992199
Energy: 1.736718710794383
Energy: 1.4273734918241316
Energy: 1.2880486175688088
Energy: 1.42737349182333
Energy: 1.2746943214506004
Energy: 1.2879933478192491
Energy: 1.7393021706466305
Energy: 1.2879933478184475
Energy: 1.4571256462889066
Energy: 1.3961216047232834
Energy: 1.2937034954276683
Energy: 1.39612160472168
Energy: 1.282016415689339
Energy: 1.3561206766480505
Energy: 1.2907395407127265
Energy: 1.3561206766488523

minimum gb energy = 1.2703324487173886 eV
minimum distance =  2.21263185390168 Angstroms
sigma value = 1


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

Energy: 1.390865178706981
Energy: 1.2807088468137708
Energy: 1.3098334899532018
Energy: 1.2807088468137708
Energy: 1.306369710730022
Energy: 1.2333728622486975
Energy: 1.265076762722557
Energy: 1.2333728622486975
Energy: 1.2462308188547542
Energy: 1.4403530245807354
Energy: 1.4713838200078677
Energy: 1.440353024579627
Energy: 1.273090781180086
Energy: 1.3727662610520857
Energy: 1.2642122969115603
Energy: 1.3727662610520857
Energy: 1.2586135764574642
Energy: 1.2742977588071571
Energy: 1.571615063798953
Energy: 1.2742977588082658
Energy: 1.2592603573603558
Energy: 1.385597363625636
Energy: 1.2640287946876274
Energy: 1.3855973636245276
Energy: 1.2460793828996708
Energy: 1.424368284045895
Energy: 1.264158018944466
Energy: 1.424368284045895
Energy: 1.2461252689646622
Energy: 1.3617088135066062
Energy: 1.2586202815605732
Energy: 1.3617088135066062
Energy: 1.2698157442763183
Energy: 1.2824651138239294
Energy: 1.3547465323119185
Energy: 1.2824651138250378
Energy: 1.2698489858694912
Energy: 1.2860448967175822
Energy: 1.3026326778984367
Energy: 1.2860448967186908
Energy: 1.246004249847692
Energy: 1.4401821387891143
Energy: 1.289769928521164
Energy: 1.4401821387891143
Energy: 1.2470457810558215
Energy: 1.4068012911425662
Energy: 1.3831234109148198
Energy: 1.4068012911425662
Energy: 1.2591894068730387
Energy: 1.338071839307479
Energy: 1.2664026728841626
Energy: 1.338071839307479
Energy: 1.2604103785305207
Energy: 1.2789307224405433
Energy: 1.547153949861808
Energy: 1.2789307224405433
Energy: 1.3682607136454117
Energy: 1.3744146413836453
Energy: 1.266066845126503
Energy: 1.3744146413836453
Energy: 1.2462958649766447
Energy: 1.3591918355616928
Energy: 1.6300188059783982
Energy: 1.3591918355616928
Energy: 1.395025934320402
Energy: 1.280769358685865
Energy: 1.2611410581424132
Energy: 1.280769358685865
Energy: 1.3908651787080892
Energy: 1.2807088468137708
Energy: 1.3098334899554187
Energy: 1.2807088468148795
Energy: 1.306369710730022
Energy: 1.2333728622486975
Energy: 1.265076762722557
Energy: 1.2333728622486975
Energy: 1.2462308188547542
Energy: 1.4403530245807354
Energy: 1.4713838200078677
Energy: 1.440353024579627
Energy: 1.273090781180086
Energy: 1.3727662610520857
Energy: 1.2642122969115603
Energy: 1.3727662610520857
Energy: 1.2586135764563557
Energy: 1.2742977588071571
Energy: 1.5716150637978443
Energy: 1.2742977588082658
Energy: 1.259260357358139
Energy: 1.3855973636267445
Energy: 1.2640287946887359
Energy: 1.3855973636245276
Energy: 1.2460793829007792
Energy: 1.424368284045895
Energy: 1.2641580189422492
Energy: 1.424368284045895

minimum gb energy = 1.2333728622486975 eV
minimum distance =  2.23064371542548 Angstroms
sigma value = 17


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

Energy: 1.2757121086404324
Energy: 1.2757376016110353
Energy: 1.656398876063886
Energy: 1.27573760161035
Energy: 1.3599123479683064
Energy: 1.2667319991259343
Energy: 1.2510295587428397
Energy: 1.2667319991225088
Energy: 1.2468040686883077
Energy: 1.3689160112438488
Energy: 1.5295091678838086
Energy: 1.3689160112431638
Energy: 1.4595670155070022
Energy: 1.2373712185383776
Energy: 1.2446386106972158
Energy: 1.2373712185349524
Energy: 1.2479609705650214
Energy: 1.2761226347912447
Energy: 1.5776327977069156
Energy: 1.2761226347919299
Energy: 1.2794357044995424
Energy: 1.5416128313674913
Energy: 1.260823968387274
Energy: 1.5416128313681765
Energy: 1.2792970287191459
Energy: 1.3461568852750196
Energy: 1.2598271731120558
Energy: 1.3461568852757047
Energy: 1.2424633881860012
Energy: 1.5407523003684918
Energy: 1.2437648911098496
Energy: 1.5407523003671213
Energy: 1.2604400039787123
Energy: 1.5257953353888802
Energy: 1.324567343448257
Energy: 1.5257953353888802
Energy: 1.2600445698190494
Energy: 1.3401941386677156
Energy: 1.2587667141196404
Energy: 1.3401941386677156
Energy: 1.2389594821334293
Energy: 1.3193314271832433
Energy: 1.2528911137259893
Energy: 1.3193314271811878
Energy: 1.2385242933165905
Energy: 1.3423817260943725
Energy: 1.2344921716252353
Energy: 1.3423817260943725
Energy: 1.2501064402793978
Energy: 1.2550384258966436
Energy: 1.2496999195796061
Energy: 1.2550384258966436
Energy: 1.2737857125424075
Energy: 1.366483769865118
Energy: 1.275091357671543
Energy: 1.366483769865118
Energy: 1.2720386778291566
Energy: 1.4993233445667322
Energy: 1.2881052196088316
Energy: 1.4993233445667322
Energy: 1.254037022131728
Energy: 1.3709296519831775
Energy: 1.576276956913695
Energy: 1.3709296519838627
Energy: 1.2463283802536815
Energy: 1.2470624195180458
Energy: 1.2492341895233043
Energy: 1.2470624195221562
Energy: 1.2389288924498134
Energy: 1.3834721138496866
Energy: 1.7373910553305056
Energy: 1.3834721138483166
Energy: 1.4018255309417147
Energy: 1.253098949367429
Energy: 1.2511489939092693
Energy: 1.2530989493660587
Energy: 1.2554456166237145
Energy: 1.260500960296614
Energy: 1.7662650131946491
Energy: 1.2605009602986692
Energy: 1.346195376705941
Energy: 1.2556375757270761
Energy: 1.2754712658940373
Energy: 1.2556375757284464
Energy: 1.275168812620297
Energy: 1.384910287134162
Energy: 1.3474350953517036
Energy: 1.3849102871327919
Energy: 1.4624583226973056
Energy: 1.5047384827355146
Energy: 1.2578511285366671
Energy: 1.5047384827361998
Energy: 1.2509912568094306
Energy: 1.2550949528888933
Energy: 1.4083702954059507
Energy: 1.2550949528888933
Energy: 1.5877792711975458
Energy: 1.384347945626122
Energy: 1.2417065317415636
Energy: 1.384347945624752
Energy: 1.2510632949119715
Energy: 1.3688877256523055
Energy: 1.246783669962322
Energy: 1.3688877256523055
Energy: 1.3871598557224827
Energy: 1.3336551816293547
Energy: 1.2565686294223772
Energy: 1.3336551816300397
Energy: 1.2871828780246786
Energy: 1.5035106369895694
Energy: 1.2719556812034942
Energy: 1.503510636988884
Energy: 1.274907877821065
Energy: 1.3657348191756638
Energy: 1.2734745448842513
Energy: 1.365734819176349
Energy: 1.2484038698302284
Energy: 1.5229023668824684
Energy: 1.2799821367265958
Energy: 1.5229023668845234
Energy: 1.234829882032705
Energy: 1.3643265695894584
Energy: 1.2388287905512123
Energy: 1.3643265695887734
Energy: 1.2526747912892116
Energy: 1.5089536584113339
Energy: 1.2483922274570496
Energy: 1.5089536584113339
Energy: 1.256692245631043
Energy: 1.2663688004747018
Energy: 1.4044473188573594
Energy: 1.266368800474017
Energy: 1.3274007170565576
Energy: 1.5242919507842052
Energy: 1.2636396495838196
Energy: 1.5242919507842052
Energy: 1.2421263951792234
Energy: 1.38458749229841
Energy: 1.28957805832437
Energy: 1.38458749229841
Energy: 1.2602775870860352
Energy: 1.3484448001528186
Energy: 1.2767239893547435
Energy: 1.3484448001521339
Energy: 1.2575103147970368
Energy: 1.411027755261796
Energy: 1.2794672303504058
Energy: 1.411027755263851
Energy: 1.3426079442988126
Energy: 1.2763078320431553
Energy: 1.2543210997176402
Energy: 1.2763078320438404

minimum gb energy = 1.2344921716252353 eV
minimum distance =  2.22043545912887 Angstroms
sigma value = 89


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

Energy: 1.1393346374137283
Energy: 1.1396020697694083
Energy: 1.7980871824145375
Energy: 1.1396020697694083
Energy: 1.139833449144668
Energy: 1.1795113264099337
Energy: 1.1623399944894135
Energy: 1.1795113264099337
Energy: 1.158569311103757
Energy: 1.6665105851531
Energy: 1.8759043085260017
Energy: 1.6665105851548927
Energy: 1.260034426709634
Energy: 1.179324318534904
Energy: 1.1621173513856118
Energy: 1.179324318534904
Energy: 1.1581046569637472
Energy: 1.1420932356506874
Energy: 1.1400835681736692
Energy: 1.1420932356506874
Energy: 1.1582981583692598
Energy: 1.1401138921391467
Energy: 1.1388224387626982
Energy: 1.1401138921391467
Energy: 1.1588302608049887
Energy: 1.3742585595991423
Energy: 1.1392118166078584
Energy: 1.3742585595973495
Energy: 1.191567494636655
Energy: 1.4927441095889127
Energy: 1.1623474412637365
Energy: 1.4927441095889127
Energy: 1.1582107939113333
Energy: 1.274081270795381
Energy: 1.1446701997518585
Energy: 1.274081270795381
Energy: 1.178851005382547
Energy: 1.1395184417193747
Energy: 1.1586129978990234
Energy: 1.1395184417193747
Energy: 1.13907303803836
Energy: 1.1804547005759212
Energy: 1.1581151427195235
Energy: 1.1804547005759212
Energy: 1.1391116877390286
Energy: 1.3758954200074824
Energy: 1.161981566356648
Energy: 1.3758954200074824
Energy: 1.158075401678358
Energy: 1.1396696731352134
Energy: 1.1912107928368008
Energy: 1.1396696731352134
Energy: 1.1584405177785189
Energy: 1.2700573257098742
Energy: 1.158282534561882
Energy: 1.2700573257098742
Energy: 1.1426497836743374
Energy: 1.1397051860599088
Energy: 1.158074779072414
Energy: 1.1397051860599088

minimum gb energy = 1.1388224387626982 eV
minimum distance =  2.2435390621867 Angstroms
sigma value = 13


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

Energy: 1.1701804746366646
Energy: 1.4093583169892137
Energy: 1.5478042012437159
Energy: 1.4093583169922188
Energy: 1.2438265871674328
Energy: 1.4307682721866426
Energy: 1.128695070598245
Energy: 1.4307682721858916
Energy: 1.137914959600766
Energy: 1.4301343264557642
Energy: 1.7034098570280716
Energy: 1.4301343264535105
Energy: 1.1286284122368424
Energy: 1.4328766786117177
Energy: 1.1261988812560477
Energy: 1.432876678612469
Energy: 1.1449472295804615
Energy: 1.4281176982474777
Energy: 1.216876638049064
Energy: 1.428117698248229
Energy: 1.1251256895023067
Energy: 1.2960817804202118
Energy: 1.1432893366243404
Energy: 1.2960817804157043
Energy: 1.145010835718912
Energy: 1.6656220684601368
Energy: 1.4487909967361199
Energy: 1.6656220684571315
Energy: 1.1307230180961048
Energy: 1.447476569063822
Energy: 1.1431952584357963
Energy: 1.4474765690645734
Energy: 1.1453784663125886
Energy: 1.3647978769308236
Energy: 1.310818577625617
Energy: 1.364797876927067
Energy: 1.3069023990693835
Energy: 1.4471321342162378
Energy: 1.1265428084824023
Energy: 1.4471321342162378
Energy: 1.1447545298585677
Energy: 1.2561418588472486
Energy: 1.1259356458060497
Energy: 1.2561418588495024
Energy: 1.4529390538445635
Energy: 1.5160755018561445
Energy: 1.135494577860993
Energy: 1.516075501856896
Energy: 1.1788590782716972
Energy: 1.151481124302614
Energy: 1.1685742594058837
Energy: 1.1514811242973548
Energy: 1.4072677070284256
Energy: 1.2551127224411769
Energy: 1.1355876849362643
Energy: 1.2551127224411769
Energy: 1.1452604838469476
Energy: 1.2917726699346226
Energy: 1.1361339370226187
Energy: 1.2917726699293628
Energy: 1.1242875392872465
Energy: 1.384355382864302
Energy: 1.1231822553897401
Energy: 1.3843553828688102
Energy: 1.139877388430897
Energy: 1.2901657722645483
Energy: 1.1232854680559823
Energy: 1.2901657722637971
Energy: 1.1652739443309132
Energy: 1.2305918118458135
Energy: 1.1385095862295356
Energy: 1.230591811842057
Energy: 1.1394287946159296
Energy: 1.2864960756028447
Energy: 1.1388369102693812
Energy: 1.286496075607353
Energy: 1.139596400833153
Energy: 1.285844149155873
Energy: 1.138723753215347
Energy: 1.2858441491581267
Energy: 1.1653495588791758
Energy: 1.2305382084796999
Energy: 1.1385926412762197
Energy: 1.2305382084796999
Energy: 1.1398290490309655
Energy: 1.2900373260420512
Energy: 1.1231987805463874
Energy: 1.2900373260675961
Energy: 1.1241664282077117
Energy: 1.384556401704007
Energy: 1.1232284988999344
Energy: 1.3845564017002503
Energy: 1.1449745262710764
Energy: 1.2924936471138322
Energy: 1.1389520365440182
Energy: 1.292493647117589
Energy: 1.4073107690742594
Energy: 1.3869667696240515
Energy: 1.1344677585659735
Energy: 1.3869667696278083
Energy: 1.1787622076271742
Energy: 1.1514284914362112
Energy: 1.1669853205659213
Energy: 1.1514284914362112
Energy: 1.4529459755169265
Energy: 1.515721767459232
Energy: 1.1348488988517988
Energy: 1.515721767459983
Energy: 1.1450739592607537
Energy: 1.2566201722961625
Energy: 1.125125163327303
Energy: 1.256620172296914
Energy: 1.307200166404262
Energy: 1.4470698267666224
Energy: 1.1265385409815563
Energy: 1.447069826768125
Energy: 1.145303594882378
Energy: 1.3649556886001424
Energy: 1.4527907786840941
Energy: 1.3649556886016452
Energy: 1.1305361269945848
Energy: 1.447824895963772
Energy: 1.1431962728709197
Energy: 1.4478248959652744
Energy: 1.1447189223322356
Energy: 1.6659764713555183
Energy: 1.58226282511081
Energy: 1.665976471357021
Energy: 1.1251544413709667
Energy: 1.299497691796231
Energy: 1.1431205378586051
Energy: 1.299497691813512
Energy: 1.1453864240435023
Energy: 1.4280354004578153
Energy: 1.2036383764894416
Energy: 1.4280354004570641
Energy: 1.1286359884595414
Energy: 1.430167306547614
Energy: 1.1261591879845596
Energy: 1.4301673065498677

minimum gb energy = 1.1231822553897401 eV
minimum distance =  2.21317467321646 Angstroms
sigma value = 37


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

Energy: 1.2186993110024822
Energy: 1.2178914274651655
Energy: 1.0856714709137603
Energy: 1.2178914274651655
Energy: 1.307565475276621
Energy: 1.4379498736285437
Energy: 1.0604510223423478
Energy: 1.4379498736298362
Energy: 1.0820989182486391
Energy: 1.6983697679125522
Energy: 1.402066474710127
Energy: 1.6983697679112595
Energy: 1.1572393641725676
Energy: 1.2032716969244865
Energy: 1.0604600755791536
Energy: 1.2032716969244865
Energy: 1.059498465135305
Energy: 1.0869670486781893
Energy: 1.2013591495330553
Energy: 1.0869670486781893
Energy: 1.0674152890416417
Energy: 1.5551028163079172
Energy: 1.159572027108911
Energy: 1.5551028163092098
Energy: 1.075364705194051
Energy: 1.6951674767770353
Energy: 1.4078235101053025
Energy: 1.6951674767757425
Energy: 1.0419754110315205
Energy: 1.08814846431036
Energy: 1.087172549438634
Energy: 1.08814846431036
Energy: 1.0607675162458094
Energy: 1.4373639601231853
Energy: 1.295400654059377
Energy: 1.4373639601231853
Energy: 1.402027150241514
Energy: 1.5628155971550308
Energy: 1.1594669799683006
Energy: 1.5628155971550308
Energy: 1.0586737724475639
Energy: 1.502586532282365
Energy: 1.1577668690361775
Energy: 1.5025865322849503
Energy: 1.3475561684637756
Energy: 1.0873411921201943
Energy: 1.0602837032517896
Energy: 1.0873411921189016
Energy: 1.1569758020036958
Energy: 1.4375296717463635
Energy: 1.171662434380851
Energy: 1.4375296717463635
Energy: 1.4072009784669284
Energy: 1.5799891850932115
Energy: 1.041915160245769
Energy: 1.5799891850815782
Energy: 1.2175167388449897
Energy: 1.2536299729120313
Energy: 1.0418835199153484
Energy: 1.2536299729107387
Energy: 1.218521761266212
Energy: 1.4380413510284222
Energy: 1.0599169381835207
Energy: 1.4380413510284222
Energy: 1.1569256154660026
Energy: 1.331569873847007
Energy: 1.0631830460583487
Energy: 1.331569873847007
Energy: 1.1572968492125417
Energy: 1.5010987096497537
Energy: 1.0587942304197362
Energy: 1.5010987096497537
Energy: 1.0587569997457345
Energy: 1.088370802777036
Energy: 1.0590863114265563
Energy: 1.088370802777036
Energy: 1.0593474831219596
Energy: 1.4378899926355093
Energy: 1.1574674902287123
Energy: 1.4378899926342166

minimum gb energy = 1.0418835199153484 eV
minimum distance =  2.21495025447964 Angstroms
sigma value = 25


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

Energy: 1.125486465666061
Energy: 1.230140488945661
Energy: 0.9712408357773665
Energy: 1.2301404889466703
Energy: 1.4352091087865726
Energy: 1.325321040379911
Energy: 0.9703186071158959
Energy: 1.325321040379911
Energy: 1.0595987175018458
Energy: 1.0609577600136912
Energy: 1.222212737675282
Energy: 1.0609577600136912
Energy: 1.139808954058575
Energy: 1.2609293220421982
Energy: 0.9789489836234372
Energy: 1.2609293220401796
Energy: 0.9869415717350344
Energy: 1.3238997983889684
Energy: 1.059473686479445
Energy: 1.3238997983899776
Energy: 1.0328398286561666
Energy: 1.3228036731155486
Energy: 0.9891305887186319
Energy: 1.3228036731175672
Energy: 0.9729990630177288
Energy: 0.9642745214284708
Energy: 1.2686643667893267
Energy: 0.9642745214294801
Energy: 0.9571809172341337
Energy: 1.2687010084984347
Energy: 1.0618385546282951
Energy: 1.2687010084984347
Energy: 0.9692801426372232
Energy: 1.3238459886475913
Energy: 1.3330016329272552
Energy: 1.3238459886465817
Energy: 0.9440963507893655
Energy: 1.3114401175313917
Energy: 1.029798637497921
Energy: 1.3114401175293728
Energy: 0.9728825180003023
Energy: 0.9676946208641609
Energy: 1.3088862654169973
Energy: 0.9676946208651702
Energy: 1.2216073569142223
Energy: 1.377262204929387
Energy: 1.061871306339135
Energy: 1.3772622049283776
Energy: 0.9811450027725199
Energy: 1.261460149178572
Energy: 1.2332307049309446
Energy: 1.261460149178572
Energy: 1.2040393273025656
Energy: 1.3427781075960983
Energy: 0.9890481413871973
Energy: 1.3427781075960983
Energy: 0.9878386253821784
Energy: 1.1374319453353992
Energy: 1.0316986251275124
Energy: 1.1374319453333805
Energy: 1.266566297125685
Energy: 1.4946996000222885
Energy: 0.9714147644008465
Energy: 1.4946996000212793
Energy: 1.064220981554391
Energy: 1.2701948939618473
Energy: 0.9465191963047618
Energy: 1.270194893960838
Energy: 1.249782586857304
Energy: 1.245996096206291
Energy: 0.9704548217662752
Energy: 1.2459960962073002
Energy: 1.1281250916199683
Energy: 0.9842718646310978
Energy: 0.9444402603307157
Energy: 0.984271864629079
Energy: 1.4371599762317533
Energy: 1.4623615681931543
Energy: 0.9715657106758796
Energy: 1.4623615681941635
Energy: 1.0647331502621824
Energy: 1.3774741240405348
Energy: 0.9590476873057378
Energy: 1.3774741240375066
Energy: 1.0595005556398311
Energy: 1.2617970818099757
Energy: 0.9824883490012635
Energy: 1.2617970818109854
Energy: 0.9880385814188338
Energy: 1.167790151343255
Energy: 1.2049810149540672
Energy: 1.167790151343255
Energy: 1.0313291777746831
Energy: 1.4632073568605342
Energy: 0.9880272648843956
Energy: 1.4632073568605342
Energy: 0.9716412328645245
Energy: 1.1871841484464876
Energy: 1.2668676840508777
Energy: 1.1871841484464876
Energy: 0.9523098333858444
Energy: 1.1864678484906206
Energy: 1.0594377624522706
Energy: 1.1864678484896114

minimum gb energy = 0.9440963507893655 eV
minimum distance =  2.22545578153744 Angstroms
sigma value = 41


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

Energy: 1.1748199088971836
Energy: 1.175506074588108
Energy: 0.8865747616750256
Energy: 1.1755060745889354
Energy: 1.3204894647951164
Energy: 1.166008203162004
Energy: 0.8807780105984082
Energy: 1.1660082031628314
Energy: 0.9098370992767585
Energy: 1.155641206944914
Energy: 1.538155042318654
Energy: 1.155641206944914
Energy: 1.156299971613846
Energy: 1.164577953317196
Energy: 0.8809749854658073
Energy: 1.164577953317196
Energy: 0.8745788693433415
Energy: 1.1964669728174944
Energy: 0.9529402932145427
Energy: 1.1964669728174944
Energy: 0.9473873641660123
Energy: 1.1655636758122914
Energy: 0.8809227509984082
Energy: 1.165563675809809
Energy: 0.8798208527831509
Energy: 1.1648267444027383
Energy: 0.9477217869095302
Energy: 1.1648267444027383
Energy: 0.8622277080907386
Energy: 1.0436811073267038
Energy: 0.8761233611230588
Energy: 1.0436811073275314
Energy: 0.8840290746721835
Energy: 1.1761683343002654
Energy: 1.1672463517868177
Energy: 1.1761683343002654
Energy: 0.8641475568396387
Energy: 1.158118229555987
Energy: 0.9112799906013143
Energy: 1.1581182295551598
Energy: 0.8798917427423301
Energy: 1.1645765144494127
Energy: 1.324476883789158
Energy: 1.164576514448585
Energy: 0.8666483913864238
Energy: 1.176828891274337
Energy: 1.1762125839666693
Energy: 1.1768288912751645
Energy: 0.8838019337349213
Energy: 1.360410709409584
Energy: 1.4154308313510724
Energy: 1.3604107094087563
Energy: 1.09292300119948
Energy: 1.0955710001024592
Energy: 0.911149572149651
Energy: 1.0955710001008043
Energy: 0.8798736629051664
Energy: 1.16458203045528
Energy: 1.1557043485234524
Energy: 1.1645820304561076
Energy: 1.0776805682418702
Energy: 1.2030985421555456
Energy: 0.8761007827181546
Energy: 1.2030985421555456
Energy: 0.8837772439426301
Energy: 1.360514106354448
Energy: 1.0873649251022732
Energy: 1.360514106354448
Energy: 1.0696806173858189
Energy: 0.9378882360877056
Energy: 0.8809457791366196
Energy: 0.9378882360918431
Energy: 0.8798207376735928
Energy: 1.0445883351872294
Energy: 0.8622063898348524
Energy: 1.0445883351806093
Energy: 1.0637140587846503
Energy: 1.1764863052939212
Energy: 0.8836544164991977
Energy: 1.1764863052947487
Energy: 0.914911664952364
Energy: 1.3692774653549777
Energy: 0.8649923985910255
Energy: 1.369277465355805
Energy: 1.325179294334967
Energy: 1.2879632154533633
Energy: 0.8809245261896754
Energy: 1.2879632154533633
Energy: 1.1800952863264815
Energy: 1.1774348392610954
Energy: 0.8664980026693331
Energy: 1.177434839263578
Energy: 1.1759417932665535
Energy: 1.3604519297119302
Energy: 0.8839113407065371
Energy: 1.3604519297111028
Energy: 0.9150120781640438
Energy: 1.2204070216827752
Energy: 0.8701001386270527
Energy: 1.2204070216844303
Energy: 1.1554944701587544
Energy: 1.5401138816836024
Energy: 0.8810168227135815
Energy: 1.54011388168443
Energy: 0.8798832915243171
Energy: 1.2049332956976662
Energy: 1.0776512722753644
Energy: 1.2049332956968384
Energy: 0.8756768269202877
Energy: 1.0450551664135623
Energy: 0.8842451561153396
Energy: 1.0450551664160448
Energy: 0.8842786581918675
Energy: 1.1358261214563872
Energy: 1.069454469808972
Energy: 1.1358261214489398
Energy: 0.862092433354251
Energy: 1.3133842836474654
Energy: 0.885523710521894
Energy: 1.31338428363588
Energy: 0.8800671988147005
Energy: 1.0436719207308953
Energy: 1.0632631010851545
Energy: 1.0436719207317229
Energy: 0.8673363453450734
Energy: 1.362570639344888
Energy: 0.9195665565885266
Energy: 1.3625706393440604

minimum gb energy = 0.862092433354251 eV
minimum distance =  2.21994644222073 Angstroms
sigma value = 15


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

Energy: 1.0789275682592885
Energy: 0.8352073952288854
Energy: 1.5603405298913244
Energy: 0.8352073952288854
Energy: 1.5353092813583953
Energy: 0.9465243202788713
Energy: 0.8307960798159264
Energy: 0.9465243202725622
Energy: 0.8612851526277993
Energy: 1.0552246580368025
Energy: 1.4568149968722677
Energy: 1.0552246580361013
Energy: 1.1921790677872424
Energy: 0.9448646523078863
Energy: 0.8307943484206624
Energy: 0.9448646523085874
Energy: 0.8267371601054385
Energy: 0.9839847524640224
Energy: 0.8060446644532047
Energy: 0.9839847524640224
Energy: 1.0445396190515852
Energy: 0.9453971918468207
Energy: 0.8309354728840311
Energy: 0.9453971918454186
Energy: 0.8300282640324455
Energy: 1.0674042765921954
Energy: 0.8690008818455839
Energy: 1.0674042765935976
Energy: 0.9226413546577973
Energy: 1.0674863925652067
Energy: 0.8308759707757871
Energy: 1.0674863925659077
Energy: 0.8330420174700245
Energy: 0.9574823131790245
Energy: 0.9910356868183817
Energy: 0.9574823132701583
Energy: 0.7997264644508201
Energy: 0.9426488006460845
Energy: 0.8277242149840446
Energy: 0.9426488006446825
Energy: 0.8299783856311311
Energy: 1.0569799463148377
Energy: 1.2264646212248198
Energy: 1.056979946317642
Energy: 0.8004838341742706
Energy: 1.056631867816795
Energy: 0.8619885346811145
Energy: 1.0566318678160938
Energy: 0.8332576419599595
Energy: 0.8480222023022949
Energy: 1.3070079964481403
Energy: 0.8480222023050987
Energy: 0.8018603592838502
Energy: 0.836011829977771
Energy: 1.0798000251780024
Energy: 0.8360118299581423
Energy: 0.8302152534062119
Energy: 0.9458640905654405
Energy: 1.3286627067000876
Energy: 0.9458640905668426
Energy: 0.9927329048020459
Energy: 1.0565796992257461
Energy: 0.8619740806607131
Energy: 1.0565796992250451
Energy: 0.8331305046041705
Energy: 0.8453466639647528
Energy: 1.2745707445249104
Energy: 0.8453466639640518
Energy: 0.9829673052905171
Energy: 0.984617488307088
Energy: 0.8275835365576808
Energy: 0.984617488307088
Energy: 0.8300160255339624
Energy: 0.946289737773002
Energy: 1.0429661476586287
Energy: 0.9462897377723009
Energy: 0.977032281558223
Energy: 1.0792652210520621
Energy: 0.8309488731923039
Energy: 1.0792652210527631
Energy: 0.8331165561831984
Energy: 0.9733708011871517
Energy: 0.9860685208698722
Energy: 0.9733708011885538
Energy: 0.9787068093411095
Energy: 1.091926837800056
Energy: 0.8363202993435407
Energy: 1.091926837799355
Energy: 0.8300364032525367
Energy: 0.9428652227000317
Energy: 0.7985900195485959
Energy: 0.9428652226643431
Energy: 1.2062258801061307
Energy: 1.0565669406579568
Energy: 0.8308353579423524
Energy: 1.0565669406579568
Energy: 0.8643541546896127
Energy: 0.9756916623298372
Energy: 0.8016057302286573
Energy: 0.975691662326332
Energy: 1.2231707830423675
Energy: 0.9548265819733219
Energy: 0.836907922089662
Energy: 0.9548265819733219
Energy: 1.0822591238777488
Energy: 0.9423408717082697
Energy: 0.8019155599165912
Energy: 0.9423408717089709
Energy: 1.3657725630835877
Energy: 0.9422896510538787
Energy: 0.8308017711273632
Energy: 0.9422896510924353
Energy: 0.8641207651453524
Energy: 1.1409148607271606
Energy: 0.8082998521345791
Energy: 1.1409148607257584
Energy: 1.0548991060611692
Energy: 0.845426361351371
Energy: 0.8366705914112633
Energy: 0.8454263613478658
Energy: 0.8301531375392214
Energy: 1.0954857268432094
Energy: 0.9828752845849146
Energy: 1.0954857268425084
Energy: 1.0440618277823643
Energy: 0.941883855661494
Energy: 0.8308401382869826
Energy: 0.941883855661494
Energy: 0.8331062835401043
Energy: 1.1658671728867207
Energy: 0.9769151883365657
Energy: 1.1658671728846175
Energy: 0.8062473544715454
Energy: 0.9733027085173797
Energy: 0.8364311105542475
Energy: 0.9733027085180808
Energy: 0.8236214303487215
Energy: 1.0207446044041844
Energy: 0.978693458629623
Energy: 1.0207446043936692
Energy: 0.7982257461990365
Energy: 0.9419848012074492
Energy: 0.8340508950945833
Energy: 0.9419848012600264
Energy: 0.8333969436474604
Energy: 0.9735522206524192
Energy: 1.2065253625073082
Energy: 0.9735522200007172

minimum gb energy = 0.7982257461990365 eV
minimum distance =  2.22424075872108 Angstroms
sigma value = 85


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

Energy: 1.0304749993832365
Energy: 1.299171494218872
Energy: 0.9877770158552648
Energy: 1.299171494218872
Energy: 1.4052637841828093
Energy: 0.8942201434931336
Energy: 0.7656367345648033
Energy: 0.8942201434931336
Energy: 0.9817268335297467
Energy: 0.9831250620143538
Energy: 0.987925311891671
Energy: 0.9831250620155698
Energy: 1.2065669806796249
Energy: 0.8943961689723791
Energy: 0.7657154943546914
Energy: 0.8943961689717987
Energy: 0.8058394467218242
Energy: 0.9491228132476921
Energy: 0.7236454609804833
Energy: 0.9491228132476921
Energy: 1.069988368876302
Energy: 1.1526770465364358
Energy: 0.7648769960636764
Energy: 1.1526770465358278
Energy: 0.7614910029038888
Energy: 1.0052054707764426
Energy: 0.8445644249968237
Energy: 1.0052054707758344
Energy: 0.9354602581126388
Energy: 0.8941987850217211
Energy: 0.7654394301330774
Energy: 0.8941987850223291
Energy: 0.7647749571477755
Energy: 0.9637299437434773
Energy: 0.9499074613491647
Energy: 0.9637299437428694
Energy: 0.8296445236105433
Energy: 1.0052540082698405
Energy: 0.7626274208531497
Energy: 1.0052540082698405
Energy: 0.7661475643683101
Energy: 1.0006232737839698
Energy: 1.095057402648965
Energy: 1.0006232737845777
Energy: 0.7243288071285691
Energy: 0.8936723142610228
Energy: 0.8066388511268697
Energy: 0.8936723142604147
Energy: 0.7643969980997164
Energy: 0.9641432743808404
Energy: 1.2022976325293944
Energy: 0.9641432743808404
Energy: 0.7266385037078558
Energy: 0.9825667812489042
Energy: 0.9824482754479218
Energy: 0.9825667812482963
Energy: 0.7652146546383312
Energy: 0.8941932240646258
Energy: 1.308816855588368
Energy: 0.8941932240634097
Energy: 0.7258923244511147
Energy: 1.3012052955427227
Energy: 1.0309335554460886
Energy: 1.3012052955427227
Energy: 0.764797134619511
Energy: 0.9645238042474804
Energy: 1.5347810295134898
Energy: 0.9645238042474804
Energy: 0.8946099849932984
Energy: 0.9824812277102427
Energy: 0.9827091157799832
Energy: 0.9824812277102427
Energy: 0.7651902693984717
Energy: 0.8943406921475775
Energy: 1.2185774744683946
Energy: 0.8943406921475775
Energy: 0.8824186267992354
Energy: 0.928946021382053
Energy: 0.8067375242190115
Energy: 0.9289460213802291
Energy: 0.7646337707735608
Energy: 0.9643609060502168
Energy: 1.0691035771386854
Energy: 0.9643609060502168
Energy: 0.8798870714381434
Energy: 1.0018640899666138
Energy: 0.7624185926724101
Energy: 1.0018640899666138
Energy: 0.765331620678837
Energy: 0.894521717180112
Energy: 0.9349072230830787
Energy: 0.89452171718072
Energy: 0.8858485218407289
Energy: 1.3219564489709799
Energy: 0.7654968587072007
Energy: 1.321956448971588
Energy: 0.7645950120479207
Energy: 0.8937564880482196
Energy: 0.8286174318568665
Energy: 0.8937564880476118
Energy: 1.0848711637980677
Energy: 0.9819789865384245
Energy: 0.765306101230217
Energy: 0.9819789865396407
Energy: 0.8088209368471988
Energy: 0.8948744287203965
Energy: 0.7243559624841738
Energy: 0.8948744287210043
Energy: 1.0906174532961515
Energy: 0.9358584837180257
Energy: 0.7652325719561431
Energy: 0.9358584837180257
Energy: 0.98477045266685
Energy: 0.9824737713365068
Energy: 0.7267781181688076
Energy: 0.9824737713365068
Energy: 1.3094097702399203
Energy: 0.8939291110306604
Energy: 0.7651911996505482
Energy: 0.8939291110306604
Energy: 1.0329652679450378
Energy: 1.000884194527734
Energy: 0.7262166862710868
Energy: 1.000884194529558
Energy: 1.2409346780044281
Energy: 0.9358677999049182
Energy: 0.765119162496706
Energy: 0.9358677999049182
Energy: 0.9852726317987661
Energy: 0.9821288877098612
Energy: 0.7346529994843144
Energy: 0.9821288877098612
Energy: 1.2178369794016035
Energy: 0.8942706688759281
Energy: 0.7650665708936774
Energy: 0.89427066887532
Energy: 0.8088190659501889
Energy: 1.0320643029153316
Energy: 0.8826237339291367
Energy: 1.0320643029147238
Energy: 0.9498039979819433
Energy: 1.3155448592860468
Energy: 0.7648601893672576
Energy: 1.3155448592854389
Energy: 0.7645676368257487
Energy: 1.00171740938331
Energy: 0.8792258042639407
Energy: 1.0017174093839183
Energy: 0.9347207604524918
Energy: 0.8941357279645827
Energy: 0.764450395654423
Energy: 0.8941357279621782
Energy: 0.7654469891822318
Energy: 0.9121200664050718
Energy: 0.8857393443150524
Energy: 0.9121200664050718
Energy: 0.7339413605177442
Energy: 1.2003915676223895
Energy: 0.7613571473273643
Energy: 1.2003915676229975
Energy: 0.7644275412504845
Energy: 0.8931401656948562
Energy: 1.0855002442169135
Energy: 0.8931401656954644
Energy: 0.7237144733343185
Energy: 0.8932567231334295
Energy: 0.8056863764762295
Energy: 0.8932567231328217
Energy: 0.7651720555697471
Energy: 0.8059901931513314
Energy: 1.0899667419241734
Energy: 0.8059901931507234

minimum gb energy = 0.7236454609804833 eV
minimum distance =  2.26287914189227 Angstroms
sigma value = 113


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

Energy: 0.020524076798840895
Energy: 0.02126471643084411
Energy: 1.1300363657019166
Energy: 0.02126471643037671
Energy: 1.1286358594613979
Energy: 1.6648020059052562
Energy: 0.4612219103122557
Energy: 1.6648020059057236
Energy: 0.020524076798425432
Energy: 0.02126471643084411
Energy: 1.1300363653191148
Energy: 0.02126471643084411
Energy: 1.1286358594609305
Energy: 1.6648020059052562
Energy: 0.46122191031085347
Energy: 1.6648020059052562
Energy: 0.020524076798425432
Energy: 0.02126471643084411
Energy: 1.1300363652674925
Energy: 0.02126471643037671
Energy: 1.1286358594613979
Energy: 1.6648020059052562
Energy: 0.46122191031132087
Energy: 1.6648020059057236

minimum gb energy = 0.020524076798425432 eV
minimum distance =  2.46795924571457 Angstroms
sigma value = 1