Model name: model_name=MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_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=3.5213917568326
cohesive_energy=4.450349978305744
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: 0.018141504553573082
Energy: 0.01849105162364203
Energy: 1.3831688898415548
Energy: 0.01849105162364203
Energy: 0.01849105162364203
Energy: 1.2239516155927799
Energy: 0.01849105162364203
Energy: 1.2239516155934411
Energy: 1.3831688898415548
Energy: 0.01849105162364203
Energy: 0.018141504553573082
Energy: 0.018491051624303034
Energy: 0.01849105162364203
Energy: 1.2239516155934411
Energy: 0.01849105162364203
Energy: 1.2239516155934411

minimum gb energy = 0.018141504553573082 eV
minimum distance =  2.41252083636426 Angstroms
sigma value = 1


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

Energy: 1.3374317551373607
Energy: 1.3529482802116928
Energy: 1.3258884479641162
Energy: 1.3529482802116928
Energy: 1.303658872787494
Energy: 1.3488878945963263
Energy: 1.3051711845680773
Energy: 1.348887894597128
Energy: 1.2302242436646886
Energy: 1.3355102469335114
Energy: 1.2775723874489684
Energy: 1.3355102469327096
Energy: 1.2818640819124207
Energy: 1.3460668576334653
Energy: 1.2617663358488191
Energy: 1.3460668576334653
Energy: 1.2658452186327247
Energy: 1.3590296087736515
Energy: 1.30154441092739
Energy: 1.35902960877285
Energy: 1.245773669306855
Energy: 1.519567367832314
Energy: 1.2238175702214609
Energy: 1.5195673678315123
Energy: 1.3082022106786413
Energy: 1.3349172282990243
Energy: 1.2473148822682147
Energy: 1.3349172282982225
Energy: 1.1849634568595562
Energy: 1.3622952402773134
Energy: 1.2186015967959953
Energy: 1.3622952402765118
Energy: 1.2621512800756391
Energy: 1.547812190290802
Energy: 1.302826542123731
Energy: 1.547812190290802
Energy: 1.2310643406241806
Energy: 1.33393245353946
Energy: 1.1729517573562436
Energy: 1.33393245353946
Energy: 1.3179657496485708
Energy: 1.3422903639541006
Energy: 1.2621768444246946
Energy: 1.342290363953299
Energy: 1.2961098701881257
Energy: 1.3621111452540637
Energy: 1.250868356164975
Energy: 1.3621111452540637
Energy: 1.3020822815340243
Energy: 1.3290514964096096
Energy: 1.331338128520975
Energy: 1.329051496411213
Energy: 1.2841125125974961
Energy: 1.3444646018876798
Energy: 1.2529852490343008
Energy: 1.3444646018868782
Energy: 1.2833755097436532
Energy: 1.3530525047822457
Energy: 1.2776786348505949
Energy: 1.3530525047822457
Energy: 1.2834653119163593
Energy: 1.3534037962458774
Energy: 1.3037690080670918
Energy: 1.3534037962450758
Energy: 1.2775271976504774
Energy: 1.335520381480494
Energy: 1.2257418805138702
Energy: 1.3355203814812957
Energy: 1.305533096266834
Energy: 1.3281593933578821
Energy: 1.3277356137299798
Energy: 1.3281593933586837
Energy: 1.189503975618324
Energy: 1.3585488432890898
Energy: 1.248454345539098
Energy: 1.3585488432890898
Energy: 1.3278845393178684
Energy: 1.7377664558192611
Energy: 1.2651462527046369
Energy: 1.7377664558192611
Energy: 1.2222760267072408
Energy: 1.3350704643031936
Energy: 1.1712953600033431
Energy: 1.3350704643031936
Energy: 1.2615701599797042
Energy: 1.5053826953750846
Energy: 1.386569852283339
Energy: 1.5053826953758862
Energy: 1.3619909636004686
Energy: 1.3592465125933286
Energy: 1.2249825225968158
Energy: 1.3592465125933286
Energy: 1.3155307951344162
Energy: 1.3347861626642186
Energy: 1.2451648081088535
Energy: 1.3347861626642186
Energy: 1.2472609663823153
Energy: 1.5175010404760794
Energy: 1.3835713276144121
Energy: 1.5175010404752778
Energy: 1.2688773020213175
Energy: 1.359507447505442
Energy: 1.2424600471101743
Energy: 1.3595074475046403
Energy: 1.281069436258257
Energy: 1.502771167427926
Energy: 1.2620172506942702
Energy: 1.5027711674263227
Energy: 1.2337317147127704
Energy: 1.3311919313905802
Energy: 1.2797489955867116
Energy: 1.3311919313905802
Energy: 1.3025025872352753
Energy: 1.3392538144074553
Energy: 1.2980193492350838
Energy: 1.3392538144082569
Energy: 1.3117995304757237
Energy: 1.3546315876281543
Energy: 1.2971366619745197
Energy: 1.3546315876273525
Energy: 1.308009246066135
Energy: 1.34442243525868
Energy: 1.3020707807191332
Energy: 1.3444224352594816
Energy: 1.2736643437601352
Energy: 1.331062391088398
Energy: 1.284981038292274
Energy: 1.3310623910891997
Energy: 1.2664437623586429
Energy: 1.375892396352705
Energy: 1.2644132751732173
Energy: 1.3758923963535066

minimum gb energy = 1.1712953600033431 eV
minimum distance =  2.22977224791007 Angstroms
sigma value = 1


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

Energy: 1.5579031645991783
Energy: 1.4443341746285867
Energy: 1.4386572595534934
Energy: 1.4443341746295009
Energy: 1.3343035051230534
Energy: 1.413551404077681
Energy: 1.3495594202644463
Energy: 1.413551404077681
Energy: 1.28596434429302
Energy: 1.4477295442052132
Energy: 1.324270252611652
Energy: 1.447729544204299
Energy: 1.2917445841152295
Energy: 1.3312462863947365
Energy: 1.2890914634411048
Energy: 1.3312462863938224
Energy: 1.291681493313413
Energy: 1.4114264775012455
Energy: 1.395948597354902
Energy: 1.4114264775012455
Energy: 1.377930576198435
Energy: 1.4112461946185293
Energy: 1.3214295850661586
Energy: 1.4112461946176156
Energy: 1.3932467083064017
Energy: 1.523162654964674
Energy: 1.3184397629835998
Energy: 1.5231626549637598
Energy: 1.212995769935418
Energy: 1.4477292756225475
Energy: 1.2490538170892524
Energy: 1.4477292756225475
Energy: 1.291124173164688
Energy: 1.8588313472964302
Energy: 1.374884957852505
Energy: 1.8588313472991724
Energy: 1.2975431709078846
Energy: 1.4478768273251357
Energy: 1.3251136993847727
Energy: 1.4478768273242215
Energy: 1.335061719409903
Energy: 1.3872362827481086
Energy: 1.358405507817493
Energy: 1.3872362827471945
Energy: 1.2527275796084114
Energy: 1.425834689673654
Energy: 1.332225650811119
Energy: 1.4258346896745677
Energy: 1.3486251286578
Energy: 1.406252529065251
Energy: 1.3221169796285588
Energy: 1.406252529064337
Energy: 1.3485806289484035
Energy: 1.4062589883010368
Energy: 1.34138800153361
Energy: 1.4062589883010368
Energy: 1.2525781427728282
Energy: 1.4259588523312048
Energy: 1.3304006707262428
Energy: 1.4259588523312048
Energy: 1.3348434046937359
Energy: 1.3872556129570626
Energy: 1.318420697285307
Energy: 1.3872556129570626
Energy: 1.2975501616674416
Energy: 1.4478466266557681
Energy: 1.3239429553869073
Energy: 1.447846626656682
Energy: 1.2911492238017113
Energy: 1.858836856556674
Energy: 1.3747277782230933
Energy: 1.858836856553932
Energy: 1.213024593086862
Energy: 1.4476481082869779
Energy: 1.2631741197885136
Energy: 1.4476481082878918
Energy: 1.3926308412825301
Energy: 1.523038964801586
Energy: 1.2825194618983091
Energy: 1.5230389648025
Energy: 1.378065743070075
Energy: 1.411269668914735
Energy: 1.3001532317345328
Energy: 1.411269668912907
Energy: 1.2916887797089722
Energy: 1.4112697698702281
Energy: 1.353012941954487
Energy: 1.4112697698702281
Energy: 1.291419157514582
Energy: 1.3313667714880988
Energy: 1.3187834183369527
Energy: 1.331366771489013
Energy: 1.2860060209984627
Energy: 1.4477457230719601
Energy: 1.3221187068047775
Energy: 1.447745723071046
Energy: 1.3343897077205749
Energy: 1.4132812361261602
Energy: 1.3493855209538994
Energy: 1.413281236124332
Energy: 1.5579031645991783
Energy: 1.4443341746285867
Energy: 1.438623566936385
Energy: 1.4443341746295009
Energy: 1.3343035051221392
Energy: 1.413551404078595
Energy: 1.34955942026536
Energy: 1.413551404077681
Energy: 1.2859643442921058
Energy: 1.447729544204299
Energy: 1.3249053139832154
Energy: 1.447729544204299
Energy: 1.2917445841161437
Energy: 1.3312462863938224
Energy: 1.2808435759403818
Energy: 1.3312462863947365

minimum gb energy = 1.212995769935418 eV
minimum distance =  2.19533904708254 Angstroms
sigma value = 25


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

Energy: 1.4272448636801824
Energy: 1.4937248487418298
Energy: 1.4108677782568475
Energy: 1.4937248487418298
Energy: 1.414809281110939
Energy: 1.4455177490474593
Energy: 1.3594309214914477
Energy: 1.4455177490474593
Energy: 1.3447823546676274
Energy: 1.5568241005457413
Energy: 1.3591802199708847
Energy: 1.5568241005457413
Energy: 1.3444795608606643
Energy: 1.401043246319504
Energy: 1.3273470355565522
Energy: 1.4010432463205666
Energy: 1.3286887988590306
Energy: 1.5000998655687088
Energy: 1.4596515184407928
Energy: 1.5000998655687088
Energy: 1.4532490691024096
Energy: 1.556466388993098
Energy: 1.5041531927212648
Energy: 1.556466388993098
Energy: 1.4144356490977579
Energy: 1.6196572879774813
Energy: 1.3796652099417603
Energy: 1.6196572879774813
Energy: 1.5217914488478614
Energy: 1.4998974648033567
Energy: 1.2845825477479638
Energy: 1.4998974648033567
Energy: 1.3796787187696902
Energy: 1.4376117421642158
Energy: 1.4157498223647624
Energy: 1.4376117421642158
Energy: 1.3684451399783322
Energy: 1.5556482865257457
Energy: 1.3084557342885603
Energy: 1.5556482865257457
Energy: 1.392784579030277
Energy: 1.493657739683048
Energy: 1.3600377666601962
Energy: 1.4936577396819852
Energy: 1.3740714334260642
Energy: 1.4935154551248464
Energy: 1.360290340842133
Energy: 1.4935154551248464
Energy: 1.3590384204638137
Energy: 1.4744396707934293
Energy: 1.309319202789478
Energy: 1.4744396707934293
Energy: 1.3785234984658468
Energy: 1.4415304961660678
Energy: 1.4146094069680766
Energy: 1.4415304961660678
Energy: 1.2777864320598007
Energy: 1.5017919555623365
Energy: 1.2817524726113876
Energy: 1.5017919555633987
Energy: 1.4152875506926683
Energy: 1.9620766247919457
Energy: 1.3299132532725007
Energy: 1.9620766247919457
Energy: 1.2511919534430667
Energy: 1.5571286051094078
Energy: 1.251134526810256
Energy: 1.5571286051094078
Energy: 1.3271307281778841
Energy: 1.4590061974045194
Energy: 1.3894565365426592
Energy: 1.4590061974045194
Energy: 1.3045544673484037
Energy: 1.4882882343863109
Energy: 1.328796895063469
Energy: 1.4882882343863109
Energy: 1.433037224517767
Energy: 1.5556609199230034
Energy: 1.3612396440171217
Energy: 1.5556609199230034
Energy: 1.378903372350952
Energy: 1.440551013559846
Energy: 1.3590382100142293
Energy: 1.4405510135609085
Energy: 1.4212353688184505
Energy: 1.4944921233853112
Energy: 1.4365663250322616
Energy: 1.4944921233853112
Energy: 1.4140959520419687
Energy: 1.4700186245775835
Energy: 1.3592722331963065
Energy: 1.4700186245775835
Energy: 1.3440254280397974
Energy: 1.5555684619263626
Energy: 1.3683372213100482
Energy: 1.5555684619263626
Energy: 1.3627087896673404
Energy: 1.4011524442502694
Energy: 1.327195165732337
Energy: 1.4011524442502694

minimum gb energy = 1.251134526810256 eV
minimum distance =  2.20398139609407 Angstroms
sigma value = 9


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

Energy: 1.4845763824040932
Energy: 1.4744297819232084
Energy: 1.5720432979883865
Energy: 1.4744297819232084
Energy: 1.4193285350080913
Energy: 1.5155229932441627
Energy: 1.4213356245172772
Energy: 1.5155229932441627
Energy: 1.404783935118658
Energy: 1.4510861129768824
Energy: 1.4186868008987885
Energy: 1.4510861129768824
Energy: 1.631203424377438
Energy: 1.6014427422023696
Energy: 1.3479997334163607
Energy: 1.6014427422023696
Energy: 1.5417326123015351
Energy: 1.5291681196944467
Energy: 1.5956181241762548
Energy: 1.5291681196957143
Energy: 1.2814980659538833
Energy: 1.4508832522510455
Energy: 1.4558961521012874
Energy: 1.4508832522497777
Energy: 1.4453241546449018
Energy: 1.4907720424101176
Energy: 1.3486033807437372
Energy: 1.4907720424101176
Energy: 1.4316860980551382
Energy: 1.4510805479072517
Energy: 1.3338983982042434
Energy: 1.4510805479034492
Energy: 1.431026379029983
Energy: 1.515559829107728
Energy: 1.4964588605274511
Energy: 1.515559829107728
Energy: 1.4462592212379346
Energy: 1.4893676746928668
Energy: 1.455785169800202
Energy: 1.4893676746915994
Energy: 1.3571934858977663
Energy: 1.5130962682693738
Energy: 1.4038905941129518
Energy: 1.5130962682693738
Energy: 1.5335958063015243
Energy: 1.5185399151903733
Energy: 1.3482192759591853
Energy: 1.5185399151916406
Energy: 1.281192872475376
Energy: 1.451575682011399
Energy: 1.4136317516760462
Energy: 1.4515756820126664
Energy: 1.4537664831472088
Energy: 2.1156596449542757
Energy: 1.4376896750644077
Energy: 2.115659644955543
Energy: 1.2811961746612752
Energy: 1.4514358610759934
Energy: 1.431096811785898
Energy: 1.4514358610759934
Energy: 1.5335301595680262
Energy: 1.5186421390951756
Energy: 1.348489520028704
Energy: 1.5186421390939082
Energy: 1.3557614868700238
Energy: 1.5129213335484801
Energy: 1.4188492356058289
Energy: 1.5129213335472125
Energy: 1.446067306935755
Energy: 1.4891714497216442
Energy: 1.4556179412566423
Energy: 1.4891714497216442
Energy: 1.4311923447527142
Energy: 1.5150764882527965
Energy: 1.4964847183121102
Energy: 1.515076488254064
Energy: 1.4316631099258699
Energy: 1.4902307615514354
Energy: 1.333929403185587
Energy: 1.4902307615514354
Energy: 1.4454106141170369
Energy: 1.4909130270260191
Energy: 1.3486121828504454
Energy: 1.4909130270272868

minimum gb energy = 1.281192872475376 eV
minimum distance =  2.26497009653051 Angstroms
sigma value = 25


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

Energy: 1.3603921565678962
Energy: 1.631734973700641
Energy: 1.5670598599183003
Energy: 1.631734973700641
Energy: 1.3224235293740152
Energy: 1.4620190276525828
Energy: 1.2931410688828946
Energy: 1.4620190276525828
Energy: 1.4855295349322957
Energy: 1.695749411877688
Energy: 1.2931991038430952
Energy: 1.695749411877688
Energy: 1.5472778847174191
Energy: 1.6219791176201885
Energy: 1.505630108228882
Energy: 1.6219791176201885
Energy: 1.5039526135955508
Energy: 1.3218462768711696
Energy: 1.7398963990750163
Energy: 1.3218462768696018
Energy: 1.2938947154223701
Energy: 1.70452145703759
Energy: 1.4844580045857736
Energy: 1.704521457036022
Energy: 1.6178594394023291
Energy: 1.518338415235394
Energy: 1.4859652514927228
Energy: 1.518338415235394
Energy: 1.67321921651778
Energy: 1.6371166777953121
Energy: 1.3593751693595255
Energy: 1.637116677793745
Energy: 1.2930169156667513
Energy: 1.4615687787529459
Energy: 1.3237690116375338
Energy: 1.4615687787529459
Energy: 1.5750319701286364
Energy: 1.5046798857782537
Energy: 1.484547472728985
Energy: 1.5046798857657135
Energy: 1.4222437899592222
Energy: 1.6446221493572366
Energy: 1.6924484804388646
Energy: 1.6446221493572366
Energy: 1.4381577668174812
Energy: 1.4719111852387738
Energy: 1.5762200210568125
Energy: 1.4719111852372062
Energy: 1.4776458798557168
Energy: 1.666347577916931
Energy: 1.293003200494488
Energy: 1.666347577916931
Energy: 1.4383255028837494
Energy: 1.5160758416277922
Energy: 1.5477354308401021
Energy: 1.5160758416262243
Energy: 1.4425331329054778
Energy: 1.633367921714374
Energy: 1.6775139811520268
Energy: 1.633367921714374
Energy: 1.3225085829223722
Energy: 1.6583739842008054
Energy: 1.2935170344723557
Energy: 1.6583739842008054
Energy: 1.2932169533817532
Energy: 1.4286969098191307
Energy: 1.5745012023105682
Energy: 1.4286969098175633

minimum gb energy = 1.293003200494488 eV
minimum distance =  2.27403465403195 Angstroms
sigma value = 17


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

Energy: 1.5116058762552593
Energy: 1.524530125367445
Energy: 1.6911179215468777
Energy: 1.5245301253656696
Energy: 1.5467917875274313
Energy: 1.4199770474768287
Energy: 1.3240026434156698
Energy: 1.4199770474768287
Energy: 1.6812413749788586
Energy: 1.5006357741767233
Energy: 1.3232083779739918
Energy: 1.5006357741749479
Energy: 1.449246934485662
Energy: 1.5222691047222128
Energy: 1.5070580064916888
Energy: 1.5222691047231003
Energy: 1.5925153136552719
Energy: 1.5927878365519255
Energy: 1.5903794978299046
Energy: 1.5927878365519255
Energy: 1.3529535789330047
Energy: 1.5078465614920669
Energy: 1.67149208180037
Energy: 1.5078465615151089
Energy: 1.4185985008789284
Energy: 1.4943908953102796
Energy: 1.419052505302682
Energy: 1.4943908953102796
Energy: 1.6734472397479914
Energy: 1.508050585444504
Energy: 1.350352122462824
Energy: 1.508050585428524
Energy: 1.353989543553564
Energy: 1.659557983462278
Energy: 1.5586873652823054
Energy: 1.659557983463166
Energy: 1.6927786282838622
Energy: 1.4837674570017687
Energy: 1.3260838702427244
Energy: 1.4837674570017687
Energy: 1.3296037627614612
Energy: 1.5195627837170236
Energy: 1.690463972756016
Energy: 1.5195627837170236
Energy: 1.4410797416628003
Energy: 1.4923720827285287
Energy: 1.443605007955989
Energy: 1.492372082727641
Energy: 1.544573210452747
Energy: 1.5225137579693222
Energy: 1.492029148765707
Energy: 1.5225137579702102
Energy: 1.3233982904618427
Energy: 1.6891354972604422
Energy: 1.5329945268834633
Energy: 1.6891354972604422
Energy: 1.475860003216514
Energy: 1.49532383869096
Energy: 1.4473311737726373
Energy: 1.49532383869096
Energy: 1.5478830886631345
Energy: 1.5502678671542987
Energy: 1.528349567783671
Energy: 1.550267867153411
Energy: 1.418627884347008
Energy: 1.5523140992543278
Energy: 1.7047757973040596
Energy: 1.5523140992543278
Energy: 1.493387182200075
Energy: 1.5022923311928402
Energy: 1.3527117049080775
Energy: 1.5022923311919525
Energy: 1.410102692623553
Energy: 1.554220601302776
Energy: 1.42994810461695
Energy: 1.554220601302776
Energy: 1.4858060380466767
Energy: 1.6583773731503217
Energy: 1.4218057412482437
Energy: 1.6583773731512095
Energy: 1.4181846349707237
Energy: 1.5006668348994978
Energy: 1.5272322702475225
Energy: 1.5006668349012735
Energy: 1.4205030368397096
Energy: 1.6320508628650077
Energy: 1.6867250433191843
Energy: 1.6320508628650077
Energy: 1.52680604613092
Energy: 1.5230801257029052
Energy: 1.3228468141140122
Energy: 1.5230801257020175
Energy: 1.4428922594292055
Energy: 1.5617314646934028
Energy: 1.660323213415472
Energy: 1.561731464692515
Energy: 1.5035628910029086
Energy: 1.6385168295034003
Energy: 1.6813826603075823
Energy: 1.6385168295034003
Energy: 1.6014594255778212
Energy: 1.660299354789599
Energy: 1.324627471161087
Energy: 1.660299354789599
Energy: 1.4223396565026905
Energy: 1.5937860913812818
Energy: 1.7383653800979095
Energy: 1.5937860913812818
Energy: 1.5332326158838174
Energy: 1.50708872344006
Energy: 1.5417354460806132
Energy: 1.5070887234373969
Energy: 1.6871680706279242
Energy: 1.6793946718948805
Energy: 1.4210007230894501
Energy: 1.6793946718948805
Energy: 1.3505350344011484
Energy: 1.5558966275188202
Energy: 1.4951973987140232
Energy: 1.5558966275188202

minimum gb energy = 1.3228468141140122 eV
minimum distance =  2.17470496203962 Angstroms
sigma value = 53


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

Energy: 1.2342336020584528
Energy: 1.2338109741806038
Energy: 1.6199483499797862
Energy: 1.2338109741806038
Energy: 1.5497735110174815
Energy: 1.407300489008676
Energy: 1.3555580934655347
Energy: 1.407300489008676
Energy: 1.2354650431189433
Energy: 1.23371476684478
Energy: 1.4722230646960808
Energy: 1.2337147668468238
Energy: 1.2350912950983168
Energy: 1.2336879978447568
Energy: 1.4129740062295224
Energy: 1.2336879978447568
Energy: 1.5498261766861334
Energy: 1.407279943065439
Energy: 1.355156634061474
Energy: 1.407279943065439
Energy: 1.2342336020584528
Energy: 1.2338109741806038
Energy: 1.6201478575698272
Energy: 1.2338109741806038
Energy: 1.5497735873391891
Energy: 1.4073004890066323
Energy: 1.402737542744572
Energy: 1.407300489008676
Energy: 1.2354650431209873
Energy: 1.23371476684478
Energy: 1.4722230443669067
Energy: 1.23371476684478
Energy: 1.2350912950983168
Energy: 1.233687997842713
Energy: 1.3830221377030014
Energy: 1.233687997842713
Energy: 1.549826178600369
Energy: 1.407279943065439
Energy: 1.5392630997471155
Energy: 1.407279943065439
Energy: 1.2342336020584528
Energy: 1.2338109741785597
Energy: 1.777406641662229
Energy: 1.2338109741806038
Energy: 1.5497735442007416
Energy: 1.407300489008676
Energy: 1.5278849783164141
Energy: 1.407300489008676
Energy: 1.2354650431189433
Energy: 1.23371476684478
Energy: 1.4722230425405092
Energy: 1.2337147668468238

minimum gb energy = 1.233687997842713 eV
minimum distance =  2.25451257020197 Angstroms
sigma value = 9


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

Energy: 1.4600327793542416
Energy: 1.6306611550814782
Energy: 1.7784909154277846
Energy: 1.630661155084504
Energy: 1.7495508776556767
Energy: 1.495522409671693
Energy: 1.4278264986047662
Energy: 1.4955224096724495
Energy: 1.374738506578193
Energy: 1.3611170292094874
Energy: 1.3648686053533299
Energy: 1.3611170292125134
Energy: 1.5888229539312249
Energy: 1.6773892429638866
Energy: 1.4222482901553821
Energy: 1.6773892429623738
Energy: 1.6614067389020741
Energy: 1.4604020447786366
Energy: 1.4459978070639457
Energy: 1.4604020447756105
Energy: 1.434273350903307
Energy: 1.4368503526772376
Energy: 1.8302782153601445
Energy: 1.436850352677994
Energy: 1.8781959976992564
Energy: 1.434655155155841
Energy: 1.4567334368473062
Energy: 1.434655155155841
Energy: 1.3928111632966873
Energy: 1.6953197334651486
Energy: 1.5742973826667743
Energy: 1.6953197334621226
Energy: 1.3771852143558148
Energy: 1.6959301040468917
Energy: 1.4406053730711443
Energy: 1.695930104045379
Energy: 1.43008980617459
Energy: 1.464590339178807
Energy: 1.4628284765467447
Energy: 1.4645903391795634
Energy: 1.393961961417194
Energy: 1.5812852071501937
Energy: 1.740609619733058
Energy: 1.5812852071509502
Energy: 1.6384571501733856
Energy: 1.5891424578771631
Energy: 1.3808826251736759
Energy: 1.5891424579112037
Energy: 1.3756707650707267
Energy: 1.5110453047062342
Energy: 1.6998086218242514
Energy: 1.511045304702452
Energy: 1.6221329705777774
Energy: 1.7240772993917919
Energy: 1.3930084105608116
Energy: 1.724077299394818
Energy: 1.397600128766327
Energy: 1.5297299602945678
Energy: 1.6279383245826298
Energy: 1.5297299602945678
Energy: 1.3797617360651548
Energy: 1.698560630631153
Energy: 1.561585113718482
Energy: 1.6985606306288836
Energy: 1.5437640211351136
Energy: 1.6597579366737227
Energy: 1.3979730335270395
Energy: 1.6597579361610515
Energy: 1.3970967184990715
Energy: 1.4935522101093452
Energy: 1.7073835838531897
Energy: 1.493552210106319
Energy: 1.6549953923330338
Energy: 1.5865390426171757
Energy: 1.4332399339455233
Energy: 1.5865390426164194
Energy: 1.3822115857316108
Energy: 1.4735561688007028
Energy: 1.6148372265353816
Energy: 1.4735561688014593
Energy: 1.5585958075146509
Energy: 1.6794600249483607
Energy: 1.5456725649225447
Energy: 1.6794600249476042
Energy: 1.5603990242873533
Energy: 1.3772155599340004
Energy: 1.3759361200479592
Energy: 1.3772155599324876
Energy: 1.4404881680138013
Energy: 1.5154643073854288
Energy: 1.4516867366520376
Energy: 1.5154643073861855
Energy: 1.7597892798604333
Energy: 1.5820003811915253
Energy: 1.391409287074363
Energy: 1.5820003811900125
Energy: 1.39366679419852
Energy: 1.5722889335001655
Energy: 1.8213164645914974
Energy: 1.572288933500922
Energy: 1.4519337098344156
Energy: 1.360594381815227
Energy: 1.3724734577878264
Energy: 1.3605943818159836
Energy: 1.5915727369020927
Energy: 1.6369545777096468
Energy: 1.575845994281379
Energy: 1.636954577708134
Energy: 1.4580638763526996
Energy: 1.6253316414784784
Energy: 1.5825069028556729
Energy: 1.6253316414799914
Energy: 1.4808417695813803
Energy: 1.3601695010925712
Energy: 1.371353207123227
Energy: 1.3601695010910582
Energy: 1.3934388952798837
Energy: 1.5947744635291512
Energy: 1.7929455256845612
Energy: 1.5947744635283945
Energy: 1.6506223068429848
Energy: 1.5172103505059864
Energy: 1.3905300424219136
Energy: 1.5172103500538314
Energy: 1.4318621428663871
Energy: 1.5027689745768085
Energy: 1.436500468130614
Energy: 1.5027689745752955
Energy: 1.4609072086991437
Energy: 1.567065984332644
Energy: 1.3751592811126254
Energy: 1.5670659843341568
Energy: 1.5716901314435199
Energy: 1.7246175279991638
Energy: 1.5387715095796828
Energy: 1.724617527996138
Energy: 1.3800804640304902
Energy: 1.7742989145772927
Energy: 1.8542308801383125
Energy: 1.7742989145803183

minimum gb energy = 1.3601695010910582 eV
minimum distance =  2.18810657779768 Angstroms
sigma value = 73


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

Energy: 1.3715007983961105
Energy: 1.3711282856649762
Energy: 1.7311703228562987
Energy: 1.3711282856649762
Energy: 1.5759022215846052
Energy: 1.5112540428450119
Energy: 1.4275661286062904
Energy: 1.5112540428450119
Energy: 1.4264406084567678
Energy: 1.3709632468641433
Energy: 1.4257116537930474
Energy: 1.3709632468641433
Energy: 1.3976677208743356
Energy: 1.511819860858255
Energy: 1.4548816175943415
Energy: 1.511819860858255
Energy: 1.3962561302069751
Energy: 1.4778499629344544
Energy: 1.4610227148475303
Energy: 1.4778499629344544
Energy: 1.4794912961025566
Energy: 1.413971734545704
Energy: 1.782247892656783
Energy: 1.4139717345445038
Energy: 1.866622143839321
Energy: 1.865847034871616
Energy: 1.45284668816398
Energy: 1.865847034871616
Energy: 1.3984484434663913
Energy: 1.370931761406147
Energy: 1.7710819623948655
Energy: 1.3709317614049468
Energy: 1.7766764529122074
Energy: 1.3715173038183412
Energy: 1.3706218947216546
Energy: 1.371517303819541
Energy: 1.4267271171890092
Energy: 1.4890474691074274
Energy: 1.4283280032341754
Energy: 1.4890474691074274
Energy: 1.4418743941101506
Energy: 1.3709876213652388
Energy: 1.7607401292018572
Energy: 1.370987621366439
Energy: 1.6495446756148613
Energy: 1.5099700127562157
Energy: 1.3992156618877432
Energy: 1.5099700127562157
Energy: 1.4540313359093966
Energy: 1.467940292939666
Energy: 1.6046538928752718
Energy: 1.4679402929384657
Energy: 1.8340655538319635
Energy: 1.4695083572011969
Energy: 1.4383130300536937
Energy: 1.4695083572011969
Energy: 1.398760451784283
Energy: 1.486320432417099
Energy: 1.6996557097184886
Energy: 1.4863204324158992
Energy: 1.7607773317391986
Energy: 1.370981302512751
Energy: 1.3986981148352053
Energy: 1.370981302512751
Energy: 1.371556275571698
Energy: 1.3722206873076759
Energy: 1.427311652806715
Energy: 1.372220687306476
Energy: 1.37104027223625
Energy: 1.3722515239135489
Energy: 1.4387553655014327
Energy: 1.3722515239135489
Energy: 1.63162060416136
Energy: 1.3711503074667326
Energy: 1.3953186444222685
Energy: 1.3711503074667326
Energy: 1.455266503006726
Energy: 1.4862982169226673
Energy: 1.868415722554625
Energy: 1.4862982169226673
Energy: 1.8331875827898012
Energy: 1.4148671386266731
Energy: 1.4384824248379022
Energy: 1.4148671386266731
Energy: 1.454435031904946
Energy: 1.4746961933968923
Energy: 1.5672600802142227
Energy: 1.4746961933968923

minimum gb energy = 1.3706218947216546 eV
minimum distance =  2.20406300725801 Angstroms
sigma value = 7


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

Energy: 1.4069243947953916
Energy: 1.407104405772699
Energy: 1.7853997881280284
Energy: 1.4071044057718503
Energy: 1.7947797529552252
Energy: 1.5363270918685583
Energy: 1.4794985541001304
Energy: 1.5363270918685583
Energy: 1.3944057469014115
Energy: 1.4076072940593787
Energy: 1.4870244548821654
Energy: 1.40760729405853
Energy: 1.497211609121372
Energy: 1.5035330187402032
Energy: 1.4828389177454637
Energy: 1.503533018738506
Energy: 1.4105193056191947
Energy: 1.5132395641031373
Energy: 1.3977471314973409
Energy: 1.5132395641039857
Energy: 1.3981627740704423
Energy: 1.407152211687315
Energy: 1.738605570410566
Energy: 1.4071522116864663
Energy: 1.7123539294332488
Energy: 1.670882316961078
Energy: 1.462486235341287
Energy: 1.670882316961078
Energy: 1.3986825390162294
Energy: 1.4072243278293164
Energy: 1.8528115846968762
Energy: 1.4072243278327112
Energy: 1.658834274125838
Energy: 1.4817274488275871
Energy: 1.4468894487578212
Energy: 1.4817274488284355
Energy: 1.4406840863541444
Energy: 1.5020793812305953
Energy: 1.6065608778219165
Energy: 1.502079381228049
Energy: 1.468221481717576
Energy: 1.6423102179328286
Energy: 1.5372510267012407
Energy: 1.6423102179328286
Energy: 1.4090666447718168
Energy: 1.5131971017182793
Energy: 1.5029348510312752
Energy: 1.5131971017191281
Energy: 1.4073765444809212
Energy: 1.408579082133423
Energy: 1.5044971063939283
Energy: 1.4085790821300284
Energy: 1.4869165994112097
Energy: 1.3927031091758322
Energy: 1.483282305741607
Energy: 1.3927031091766808
Energy: 1.4089975233028493
Energy: 1.6953633477093213
Energy: 1.7513242193452347
Energy: 1.6953633477084729
Energy: 1.8245482798768644
Energy: 1.392384330743861
Energy: 1.4169223045529202
Energy: 1.3923843307430124
Energy: 1.4312083319149347
Energy: 1.513721290148033
Energy: 1.630892158300541
Energy: 1.513721290148882
Energy: 1.4002549510917528
Energy: 1.6493945265946515
Energy: 1.5026267624326126
Energy: 1.6493945265963488
Energy: 1.4650822483656005
Energy: 1.407598594781862
Energy: 1.5112344841647931
Energy: 1.4075985947801646
Energy: 1.411432194360543
Energy: 1.4877337285427972
Energy: 1.4537301311697701
Energy: 1.4877337285427972
Energy: 1.4731401339648034
Energy: 1.6507601569114072
Energy: 1.4462390704334118
Energy: 1.6507601569131047
Energy: 1.4130643894107773
Energy: 1.4079105145215467
Energy: 1.658069285195773
Energy: 1.4079105145190005
Energy: 1.772124843237273
Energy: 1.5698450020328327
Energy: 1.4957518107239283
Energy: 1.5698450019234333
Energy: 1.413101389406528
Energy: 1.408423721081015
Energy: 1.8325903394480516
Energy: 1.408423721081015
Energy: 1.5384458626458197
Energy: 1.488863657692785
Energy: 1.467274852862015
Energy: 1.4888636576987255
Energy: 1.4964973934363923
Energy: 1.641593588891177
Energy: 1.4877260111813446
Energy: 1.641593588892874
Energy: 1.4111796820751445
Energy: 1.5053415828565166
Energy: 1.556311309902811
Energy: 1.5053415828531223
Energy: 1.4735099131796596
Energy: 1.5138591380887811
Energy: 1.4825393990473879
Energy: 1.5138591380887811
Energy: 1.3936138892198868
Energy: 1.4072681984749111
Energy: 1.7009632154403602
Energy: 1.4072681984749111
Energy: 1.6254831272979073
Energy: 1.4614479833444507
Energy: 1.4976000676085122
Energy: 1.4614479833461478
Energy: 1.393674949232424
Energy: 1.40858594617413
Energy: 1.6569018766182886
Energy: 1.4085859461732813

minimum gb energy = 1.3923843307430124 eV
minimum distance =  2.19300781204479 Angstroms
sigma value = 29


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

Energy: 1.3527110819785342
Energy: 1.3117007656111188
Energy: 1.527680465189228
Energy: 1.31170076561171
Energy: 1.507922005627748
Energy: 1.354015453162915
Energy: 1.4419288018941006
Energy: 1.3540154531623239
Energy: 1.3707264424642855
Energy: 1.4084828234883937
Energy: 1.4182508043779114
Energy: 1.4084828234883937
Energy: 1.3509920622297442
Energy: 1.2837686035405491
Energy: 1.461928162813813
Energy: 1.2837686035416986
Energy: 1.3530569164503732
Energy: 1.3673305605813286
Energy: 1.5079568426967194
Energy: 1.3673305605816242
Energy: 1.3999292493759732
Energy: 1.4095298244110916
Energy: 1.4647174078750866
Energy: 1.409529824411387
Energy: 1.2830163350714858
Energy: 1.367092389586464
Energy: 1.3530780615804343
Energy: 1.3670923895867595
Energy: 1.461924770576913
Energy: 1.2840509180485096
Energy: 1.3510133534957012
Energy: 1.2840509180482136
Energy: 1.4184975833223443
Energy: 1.4084708447187653
Energy: 1.4646266639169592
Energy: 1.4084708447190606

minimum gb energy = 1.2830163350714858 eV
minimum distance =  2.24728082231241 Angstroms
sigma value = 5


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

Energy: 1.3520139535221198
Energy: 1.3626142009306275
Energy: 1.5749830073333726
Energy: 1.3626142009298257
Energy: 1.3627112658363651
Energy: 1.431235792188732
Energy: 1.3465961702771552
Energy: 1.4312357921895336
Energy: 1.315686994727223
Energy: 1.351291803699351
Energy: 1.5803545649262574
Energy: 1.3512918036985497
Energy: 1.4784007550267095
Energy: 1.4219602140567273
Energy: 1.3256170319496203
Energy: 1.4219602140559253
Energy: 1.3434988170699909
Energy: 1.426877064952775
Energy: 1.5060832873759995
Energy: 1.4268770649519735
Energy: 1.4241833748189898
Energy: 1.364565661652199
Energy: 1.3255504841807886
Energy: 1.364565661652199
Energy: 1.3067018061703028
Energy: 1.4270569578164334
Energy: 1.326768684965915
Energy: 1.427056957817235
Energy: 1.3134819258257215
Energy: 1.3638522670900985
Energy: 1.3306832855463702
Energy: 1.3638522670884954
Energy: 1.3175662689465262
Energy: 1.4292550706646971
Energy: 1.352389735725705
Energy: 1.4292550706638956
Energy: 1.321047642284886
Energy: 1.4279409587766592
Energy: 1.3462365845364672
Energy: 1.4279409587758576
Energy: 1.4122855858417667
Energy: 1.366065913658773
Energy: 1.3351473988882745
Energy: 1.3660659136595745
Energy: 1.3401977545833188
Energy: 1.437965971840787
Energy: 1.4301071535769942
Energy: 1.437965971840787
Energy: 1.453806936678326
Energy: 1.3635833957002292
Energy: 1.3683764685168045
Energy: 1.3635833957002292
Energy: 1.3415860530527877
Energy: 1.3637485611627307
Energy: 1.3638126188939017
Energy: 1.3637485611627307
Energy: 1.3551737040820118
Energy: 1.3188380845589793
Energy: 1.332888345987033
Energy: 1.3188380845589793
Energy: 1.3234112545204282
Energy: 1.3517258208588623
Energy: 1.5645073870142527
Energy: 1.3517258208588623
Energy: 1.5367187320432778
Energy: 1.3430406059392122
Energy: 1.3548068237765167
Energy: 1.3430406059392122
Energy: 1.328157693908552
Energy: 1.362825404843631
Energy: 1.7203841937532702
Energy: 1.362825404843631
Energy: 1.3315469124852237
Energy: 1.430605638310065
Energy: 1.3079111245373225
Energy: 1.430605638310065
Energy: 1.3159491245802322
Energy: 1.452936119070849
Energy: 1.3342482621962832
Energy: 1.452936119070849
Energy: 1.3243962912972667
Energy: 1.4185460681169633
Energy: 1.3216462410065424
Energy: 1.4185460681169633
Energy: 1.3589095154834718
Energy: 1.4273386088567028
Energy: 1.3183583848486298
Energy: 1.4273386088567028
Energy: 1.3371225847884844
Energy: 1.3628937443724967
Energy: 1.3291770865833747
Energy: 1.3628937443724967
Energy: 1.3624867975801136
Energy: 1.3722581165267846
Energy: 1.3352487105812882
Energy: 1.3722581165259828
Energy: 1.3638914138694165
Energy: 1.3542000655907795
Energy: 1.3250311960048604
Energy: 1.3542000655899777
Energy: 1.3486976053177373
Energy: 1.3635611827033163
Energy: 1.3308322046675798
Energy: 1.363561182704118
Energy: 1.336964137521786
Energy: 1.4090772492368244
Energy: 1.4090988146803995
Energy: 1.4090772492368244
Energy: 1.586656049269312
Energy: 1.4320275933124065
Energy: 1.3234437694258285
Energy: 1.4320275933124065
Energy: 1.342028680735473
Energy: 1.3309267163990883
Energy: 1.3642028626361828
Energy: 1.3309267163990883
Energy: 1.6903275926106915
Energy: 1.3625792744451197
Energy: 1.3282752480482591
Energy: 1.3625792744435163
Energy: 1.3132021570434238
Energy: 1.334946445303081
Energy: 1.692481145211784
Energy: 1.3349464453022795
Energy: 1.5078783160103457
Energy: 1.4290995313965784
Energy: 1.3437972990186677
Energy: 1.4290995314246364
Energy: 1.326278403505899
Energy: 1.421470222204191
Energy: 1.5023461190119058
Energy: 1.421470222204191

minimum gb energy = 1.3067018061703028 eV
minimum distance =  2.20286144987034 Angstroms
sigma value = 1


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

Energy: 1.3123190352843148
Energy: 1.312390830774538
Energy: 1.7424789214813552
Energy: 1.3123908307756464
Energy: 1.3758620278057483
Energy: 1.3943889265684917
Energy: 1.286457853745856
Energy: 1.394388926567383
Energy: 1.253824344781846
Energy: 1.3127143942692416
Energy: 1.7166889860630388
Energy: 1.3127143942703503
Energy: 1.5427912192410094
Energy: 1.3944581983676683
Energy: 1.2680749634403232
Energy: 1.3944581983665598
Energy: 1.2544011620412283
Energy: 1.3095188196484304
Energy: 1.4943721353374517
Energy: 1.309518819647322
Energy: 1.254632000219008
Energy: 1.389989508719435
Energy: 1.2684454541713026
Energy: 1.3899895087161098
Energy: 1.2543198263832205
Energy: 1.4338751708862136
Energy: 1.3416402615610152
Energy: 1.4338751708862136
Energy: 1.2479836428502986
Energy: 1.3141097288876875
Energy: 1.3649188575642324
Energy: 1.3141097288876875
Energy: 1.3118019881537129
Energy: 1.3109688373362574
Energy: 1.2921764782310594
Energy: 1.3109688373362574
Energy: 1.3118637771187347
Energy: 1.3111316319939463
Energy: 1.3647818420968036
Energy: 1.3111316319928377
Energy: 1.2485991865019717
Energy: 1.3142052986486001
Energy: 1.2914105714179016
Energy: 1.3142052986486001
Energy: 1.2543335856053284
Energy: 1.4338153479346185
Energy: 1.3722423226397413
Energy: 1.4338153479324016
Energy: 1.2545334522744065
Energy: 1.3905400960573524
Energy: 1.2682204135066237
Energy: 1.390540096056244
Energy: 1.254332232560949
Energy: 1.3095153517111082
Energy: 1.5165511385377093
Energy: 1.3095153517111082
Energy: 1.5430420981885653
Energy: 1.3903327111224815
Energy: 1.2682144035674388
Energy: 1.3903327111224815
Energy: 1.2538633482513835
Energy: 1.312825664410383
Energy: 1.6222635126705767
Energy: 1.3128256644092748
Energy: 1.3758202261627384
Energy: 1.3942969484643457
Energy: 1.286451412149634
Energy: 1.3942969484643457
Energy: 1.3123190352843148
Energy: 1.3123908307734293
Energy: 1.6516796606400825
Energy: 1.3123908307756464
Energy: 1.3758620278057483
Energy: 1.3943889265684917
Energy: 1.286457853745856
Energy: 1.394388926567383
Energy: 1.2538243447829542
Energy: 1.3127143942703503
Energy: 1.7166889860630388
Energy: 1.3127143942703503
Energy: 1.5427911712509244
Energy: 1.3944581983687765
Energy: 1.2680749634414317
Energy: 1.3944581983665598
Energy: 1.2544011620412283
Energy: 1.309518819647322
Energy: 1.4943721353374517
Energy: 1.3095188196462135
Energy: 1.254632000219008
Energy: 1.3899895087227605
Energy: 1.2684454541713026
Energy: 1.389989508721652
Energy: 1.2543198263832205
Energy: 1.4338751708851054
Energy: 1.3416402615610152
Energy: 1.4338751708862136

minimum gb energy = 1.2479836428502986 eV
minimum distance =  2.2171392124682 Angstroms
sigma value = 17


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

Energy: 1.3052482162984516
Energy: 1.3061362276116466
Energy: 1.6259269349274785
Energy: 1.3061362276102761
Energy: 1.4429906151629237
Energy: 1.2905848066587224
Energy: 1.2701703089766487
Energy: 1.2905848066607777
Energy: 1.2671227508765839
Energy: 1.289189241443777
Energy: 1.5231361730626005
Energy: 1.289189241443777
Energy: 1.382328072675658
Energy: 1.5057240311011189
Energy: 1.2642865675918342
Energy: 1.5057240311018036
Energy: 1.2649058266240727
Energy: 1.3842748336087116
Energy: 1.548171499396223
Energy: 1.3842748336100819
Energy: 1.3520228509944967
Energy: 1.523645999068355
Energy: 1.2813769015130994
Energy: 1.52364599906767
Energy: 1.2907589772619736
Energy: 1.3640250694499128
Energy: 1.3396089843255465
Energy: 1.3640250694505978
Energy: 1.2837081253976634
Energy: 1.5356679862105502
Energy: 1.2610395488053325
Energy: 1.5356679862098652
Energy: 1.303376539746108
Energy: 1.5347796054192908
Energy: 1.3861399104675143
Energy: 1.534779605418606
Energy: 1.2884071049407941
Energy: 1.3494666037579017
Energy: 1.268782260996761
Energy: 1.3494666037572165
Energy: 1.258114179553965
Energy: 1.515451001350938
Energy: 1.2654514190799715
Energy: 1.515451001350938
Energy: 1.2578274252628274
Energy: 1.355483049039119
Energy: 1.2505223831405952
Energy: 1.355483049039119
Energy: 1.2555793576337688
Energy: 1.5232938160596203
Energy: 1.2684656651144988
Energy: 1.523293816057565
Energy: 1.2878593521797184
Energy: 1.385429537342068
Energy: 1.3048671311714162
Energy: 1.385429537342068
Energy: 1.3249246523601934
Energy: 1.508148697477545
Energy: 1.3169025075806744
Energy: 1.5081486974768603
Energy: 1.272771099908301
Energy: 1.290153096892407
Energy: 1.5568119049457025
Energy: 1.290153096892407
Energy: 1.3166970980748482
Energy: 1.5068243825429097
Energy: 1.2694209626034492
Energy: 1.5068243825435947
Energy: 1.2583242707271527
Energy: 1.3057679362538974
Energy: 1.7516479038617738
Energy: 1.3057679362559529
Energy: 1.4289876650832642
Energy: 1.359157051331026
Energy: 1.2695936550886664
Energy: 1.3591570513317113
Energy: 1.2755557696873197
Energy: 1.289869434493273
Energy: 1.62116343235769
Energy: 1.289869434493958
Energy: 1.2990535171288948
Energy: 1.281526802508636
Energy: 1.289091024394645
Energy: 1.281526802507951
Energy: 1.2895548705257418
Energy: 1.5419156012945774
Energy: 1.5396864624403952
Energy: 1.5419156012945774
Energy: 1.6059219815020993
Energy: 1.277414963985772
Energy: 1.2779046142443926
Energy: 1.2774149639878274
Energy: 1.2697556430670316
Energy: 1.3659521007146855
Energy: 1.4405818859829616
Energy: 1.3659521007146855
Energy: 1.5732732056513272
Energy: 1.3063443175501286
Energy: 1.2605508020855827
Energy: 1.3063443175473883
Energy: 1.2722674774232534
Energy: 1.3867312094234436
Energy: 1.317181419965489
Energy: 1.3867312094234436
Energy: 1.4218648441284045
Energy: 1.3430741578537584
Energy: 1.2752257947668912
Energy: 1.3430741578551284
Energy: 1.3171175022265458
Energy: 1.5128330368575695
Energy: 1.2696069029816843
Energy: 1.5128330368589398
Energy: 1.304503818520813
Energy: 1.384292965187888
Energy: 1.2808065824386416
Energy: 1.384292965187203
Energy: 1.271933973966404
Energy: 1.3383564841068754
Energy: 1.3429797262499266
Energy: 1.3383564841068754
Energy: 1.2490583523744156
Energy: 1.382379738538184
Energy: 1.2579683299109505
Energy: 1.382379738538869
Energy: 1.2706973293484463
Energy: 1.5095610068224021
Energy: 1.26770317236384
Energy: 1.5095610068224021
Energy: 1.2750623239894274
Energy: 1.3514139404824246
Energy: 1.4509504163529108
Energy: 1.3514139404844798
Energy: 1.389952547914435
Energy: 1.535461274950006
Energy: 1.2838500114211704
Energy: 1.535461274950006
Energy: 1.2605186867702671
Energy: 1.3072239094202847
Energy: 1.313539394812064
Energy: 1.3072239094202847
Energy: 1.339682869092339
Energy: 1.3663433206133386
Energy: 1.2886437668225121
Energy: 1.3663433206147089
Energy: 1.277893684930446
Energy: 1.5189627945530952
Energy: 1.259308022886046
Energy: 1.5189627945537802
Energy: 1.5681797615503112
Energy: 1.3880582181459054
Energy: 1.2733219306637402
Energy: 1.38805821814385

minimum gb energy = 1.2490583523744156 eV
minimum distance =  2.20494285571367 Angstroms
sigma value = 89


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

Energy: 1.1527920142979688
Energy: 1.1528540338352087
Energy: 1.859751118596123
Energy: 1.1528540338352087
Energy: 1.1530243894149637
Energy: 1.1930480785983912
Energy: 1.1741360213537393
Energy: 1.1930480785983912
Energy: 1.1710880337936649
Energy: 1.3669563644374616
Energy: 1.8752902920174406
Energy: 1.3669563644392544
Energy: 1.4771085608561099
Energy: 1.193234498596487
Energy: 1.1744280107288319
Energy: 1.193234498596487
Energy: 1.1704961014613877
Energy: 1.2633374712021128
Energy: 1.7961008702407755
Energy: 1.26333747120032
Energy: 1.1708588412375975
Energy: 1.1531934528331926
Energy: 1.153209439413711
Energy: 1.1531934528331926
Energy: 1.1713021891840594
Energy: 1.3672323614894462
Energy: 1.152838331175934
Energy: 1.3672323614876536
Energy: 1.1823819403643023
Energy: 1.3662673060478534
Energy: 1.1746648828040152
Energy: 1.3662673060478534
Energy: 1.170589278234839
Energy: 1.267291131352035
Energy: 1.222941999392173
Energy: 1.267291131352035
Energy: 1.1929116417475256
Energy: 1.1544798351646166
Energy: 1.1706577353833265
Energy: 1.1544798351646166
Energy: 1.1523801081038476
Energy: 1.193707522624117
Energy: 1.1707089892840628
Energy: 1.193707522624117
Energy: 1.1526714299480934
Energy: 1.3676657643505024
Energy: 1.1742644675061236
Energy: 1.3676657643505024
Energy: 1.170598575649297
Energy: 1.15424808594503
Energy: 1.1905530352528892
Energy: 1.15424808594503
Energy: 1.1706636146592568
Energy: 1.2637312427229184
Energy: 1.170575709739189
Energy: 1.2637312427229184
Energy: 1.1784433618713623
Energy: 1.1542994474143442
Energy: 1.1706561620366558
Energy: 1.1542994474143442

minimum gb energy = 1.1523801081038476 eV
minimum distance =  2.23189627568152 Angstroms
sigma value = 13


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

Energy: 1.1702877130932474
Energy: 1.4636228797647723
Energy: 1.6007252952200746
Energy: 1.4636228798474185
Energy: 1.2388150122391683
Energy: 1.459468050782695
Energy: 1.1252014766591365
Energy: 1.4594680507819437
Energy: 1.1345302268872535
Energy: 1.2977951345617553
Energy: 1.359941449076759
Energy: 1.2977951345970677
Energy: 1.1541557651076069
Energy: 1.4595682747546537
Energy: 1.122544210398473
Energy: 1.4595682747509655
Energy: 1.141156944364879
Energy: 1.6048883833621712
Energy: 1.4881612589078768
Energy: 1.6048883833636738
Energy: 1.139216175397949
Energy: 1.3101458474709815
Energy: 1.1440115384832896
Energy: 1.3101458474754895
Energy: 1.1414475019100803
Energy: 1.4436260725912047
Energy: 1.430215551628585
Energy: 1.4436260725912047
Energy: 1.164241690069464
Energy: 1.5869588499380687
Energy: 1.1439994652987338
Energy: 1.586958849931375
Energy: 1.1411789416317921
Energy: 1.569713610376056
Energy: 1.3676366981508445
Energy: 1.5697136103753049
Energy: 1.3303735262082328
Energy: 1.3906724526768828
Energy: 1.1224967012125908
Energy: 1.3906724526753798
Energy: 1.141227248463154
Energy: 1.4098824603158615
Energy: 1.1559033376188383
Energy: 1.409882460316613
Energy: 1.434969663558155
Energy: 1.3904314246557203
Energy: 1.130486047471808
Energy: 1.3904314246572231
Energy: 1.1849433762323232
Energy: 1.3089877882784726
Energy: 1.1555685854898972
Energy: 1.308987788228885
Energy: 1.4519863968384483
Energy: 1.411303445692378
Energy: 1.131154476711094
Energy: 1.4113034456871187
Energy: 1.140923232198076
Energy: 1.556453825307241
Energy: 1.1628804545659712
Energy: 1.5564538253102465
Energy: 1.1260240350586934
Energy: 1.4114119011973394
Energy: 1.1191962058713003
Energy: 1.411411901168789
Energy: 1.1405097025322761
Energy: 1.2071010743264041
Energy: 1.1196889829529035
Energy: 1.2071010743309123
Energy: 1.1568480057310824
Energy: 1.5623200537722597
Energy: 1.1399594572520977
Energy: 1.5623200537722597
Energy: 1.1413320041795985
Energy: 1.5648294007929042
Energy: 1.1401755433343148
Energy: 1.5648294007906505
Energy: 1.1405032524326535
Energy: 1.5646577353482152
Energy: 1.1402350522784839
Energy: 1.564657735347464
Energy: 1.157080399469959
Energy: 1.562319580889779
Energy: 1.1401968252075956
Energy: 1.562319580892033
Energy: 1.14028064164694
Energy: 1.2070118130298522
Energy: 1.1196350139622888
Energy: 1.2070118130336087
Energy: 1.1258487452250856
Energy: 1.4114727687514168
Energy: 1.1194512340726328
Energy: 1.4114727687484114
Energy: 1.1413057017057746
Energy: 1.5563224731188783
Energy: 1.1626101857863351
Energy: 1.5563224731211323
Energy: 1.452234304185659
Energy: 1.3906951885641214
Energy: 1.1306542829466297
Energy: 1.3906951885618672
Energy: 1.1847871303030535
Energy: 1.3092610664342414
Energy: 1.1621097230047523
Energy: 1.3092610664364956
Energy: 1.435392616665742
Energy: 1.390653767720083
Energy: 1.1310345448001082
Energy: 1.3906537677185802
Energy: 1.1413175444266563
Energy: 1.4099150677849739
Energy: 1.121622533445859
Energy: 1.40991506778272
Energy: 1.3292753314489314
Energy: 1.3907238359475123
Energy: 1.1224682242096455
Energy: 1.39072383595202
Energy: 1.1414938571666073
Energy: 1.5695330440564987
Energy: 1.2904416717286755
Energy: 1.5695330440564987
Energy: 1.1641589592214725
Energy: 1.5866516602195084
Energy: 1.144251920048381
Energy: 1.586651660218757
Energy: 1.1409066860924224
Energy: 1.4429578731036754
Energy: 1.511073300262444
Energy: 1.4429578731036754
Energy: 1.1403353434370687
Energy: 1.3095325322531404
Energy: 1.144024564406498
Energy: 1.3095325322516376
Energy: 1.141359732908745
Energy: 1.6050508374273564
Energy: 1.4814749605149309
Energy: 1.6050508374288592
Energy: 1.160775457568472
Energy: 1.460454265491286
Energy: 1.1224371962051762
Energy: 1.4604542654942916

minimum gb energy = 1.1191962058713003 eV
minimum distance =  2.16761690052819 Angstroms
sigma value = 37


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

Energy: 1.2388931901318143
Energy: 1.227617981559848
Energy: 1.4444350769800582
Energy: 1.2276179815611408
Energy: 1.2980236107179919
Energy: 1.3396303502225053
Energy: 1.0470028754350367
Energy: 1.339630350223798
Energy: 1.0745012577339523
Energy: 1.6032073203386026
Energy: 1.4354704016450375
Energy: 1.6032073203386026
Energy: 1.5742811265966938
Energy: 1.2010495236597538
Energy: 1.0522006027399884
Energy: 1.201049523658461
Energy: 1.0514728262853987
Energy: 1.3180511934880745
Energy: 1.1899249725372967
Energy: 1.3180511934880745
Energy: 1.4691464740453883
Energy: 1.4693496378751554
Energy: 1.1670045588008295
Energy: 1.4693496378751554
Energy: 1.0694029093879955
Energy: 1.7456526464806252
Energy: 1.441937697017419
Energy: 1.7456526464806252
Energy: 1.0354538025778413
Energy: 1.082036227265635
Energy: 1.0856283530502802
Energy: 1.0820362272669277
Energy: 1.0476711847862323
Energy: 1.4044466044591892
Energy: 1.304052419432804
Energy: 1.4044466044591892
Energy: 1.4356066309394142
Energy: 1.4186510264488736
Energy: 1.1670060093718484
Energy: 1.4186510264488736
Energy: 1.0717859521854445
Energy: 1.6186039414469635
Energy: 1.1656373264014366
Energy: 1.6186039414469635
Energy: 1.3626810463847268
Energy: 1.0812686277948989
Energy: 1.052518763692554
Energy: 1.0812686277948989
Energy: 1.1657570551035608
Energy: 1.5309684786479127
Energy: 1.0683278130879978
Energy: 1.5309684786479127
Energy: 1.433581250250494
Energy: 1.721433483376962
Energy: 1.0355002197143053
Energy: 1.721433483376962
Energy: 1.227408943824022
Energy: 1.252458527290394
Energy: 1.0355410391980138
Energy: 1.252458527290394
Energy: 1.227331190325965
Energy: 1.404623993134281
Energy: 1.046517278750878
Energy: 1.404623993134281
Energy: 1.165657001998129
Energy: 1.2031397870958562
Energy: 1.052911197912517
Energy: 1.2031397870958562
Energy: 1.1655896860978079
Energy: 1.6184811300399997
Energy: 1.0506121396468808
Energy: 1.6184811300451702
Energy: 1.0506036690810343
Energy: 1.0820487668224246
Energy: 1.050693146992131
Energy: 1.0820487668224246
Energy: 1.0508316516994665
Energy: 1.4045289147886224
Energy: 1.165855738383954
Energy: 1.4045289147886224

minimum gb energy = 1.0354538025778413 eV
minimum distance =  2.23080972785191 Angstroms
sigma value = 25


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

Energy: 1.012152818941449
Energy: 1.3363205675113807
Energy: 1.364296797841559
Energy: 1.3363205675164274
Energy: 1.221935244398417
Energy: 1.3481234548803591
Energy: 0.956103334641565
Energy: 1.3481234548813683
Energy: 0.9501923041262799
Energy: 0.95010633524679
Energy: 1.657061126296118
Energy: 0.9501063352458264
Energy: 1.030483909204761
Energy: 1.3478956600066585
Energy: 0.9561375014168143
Energy: 1.3478956600056486
Energy: 0.9551248837727175
Energy: 1.3474280057743704
Energy: 1.0377440576192591
Energy: 1.347428005754183
Energy: 1.3579385041003085
Energy: 1.347828113286724
Energy: 0.9563484060103808
Energy: 1.3478281132847054
Energy: 0.9583938365664416
Energy: 1.1397928117009384
Energy: 1.1870276343857735
Energy: 1.1397928117009384
Energy: 1.5943620215050334
Energy: 1.189671201438748
Energy: 0.9523228998638825
Energy: 1.189671201438748
Energy: 0.958546045814378
Energy: 1.3477040349939247
Energy: 1.3005303412134952
Energy: 1.3477040349939247
Energy: 0.9294250590135446
Energy: 1.3334274426996775
Energy: 1.014298540220861
Energy: 1.333427442937799
Energy: 0.9586909990603409
Energy: 1.1412607828092665
Energy: 1.3519535539311576
Energy: 1.1412607828112853
Energy: 1.6542402565562029
Energy: 1.4041974156223866
Energy: 0.9522491758547833
Energy: 1.4041974156233958
Energy: 0.955180389577323
Energy: 1.3483003265795517
Energy: 1.2581549980292406
Energy: 1.3483003265785423
Energy: 1.6180085274405518
Energy: 1.5102346396405142
Energy: 0.9564854655970693
Energy: 1.5102346396405142
Energy: 0.9590200600044554
Energy: 1.1401456032795623
Energy: 0.9240452672866127
Energy: 1.1401456032795623
Energy: 1.2064212951699007
Energy: 1.520174506334426
Energy: 0.9573935577472308
Energy: 1.5201745063334167
Energy: 0.9550325619757991
Energy: 1.1907449168100157
Energy: 0.9420101466451273
Energy: 1.1907449168140534
Energy: 1.1612109748506485
Energy: 1.3486916599702967
Energy: 0.9563334873101319
Energy: 1.3486916599672685
Energy: 1.0200104950092455
Energy: 1.332038175989821
Energy: 0.9308976997065249
Energy: 1.3320381759888118
Energy: 1.332029910844767
Energy: 1.4966031477000814
Energy: 0.9568330543809418
Energy: 1.4966031477010906
Energy: 0.9583971374841356
Energy: 1.4015300011741225
Energy: 0.9351741292344737
Energy: 1.401530001172104
Energy: 0.9503163296016203
Energy: 1.3478244149396836
Energy: 0.9563348752869835
Energy: 1.347824414943721
Energy: 0.9587570036319991
Energy: 1.4770847463381014
Energy: 1.2139770972986152
Energy: 1.477084746317914
Energy: 0.9240169302274033
Energy: 1.4965268993057257
Energy: 0.9568123600926969
Energy: 1.4965268993057257
Energy: 0.9568741463212037
Energy: 1.5130195565055857
Energy: 1.206692103642882
Energy: 1.5130195565055857
Energy: 0.9292723290310001
Energy: 1.190410246412195
Energy: 0.9499509178652817
Energy: 1.190410246412195

minimum gb energy = 0.9240169302274033 eV
minimum distance =  2.19611378741086 Angstroms
sigma value = 41


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

Energy: 1.1964471954796863
Energy: 1.2002214018325446
Energy: 1.2977563798210194
Energy: 1.200221401838337
Energy: 1.2413299057169578
Energy: 1.182685866273917
Energy: 0.8629546110546982
Energy: 1.1826858662730895
Energy: 0.8913650635109561
Energy: 1.294093030385004
Energy: 1.5459790492157806
Energy: 1.294093030385004
Energy: 1.0842185532762252
Energy: 1.1831344437301
Energy: 0.8629127827362347
Energy: 1.1831344437276174
Energy: 0.8567982597808556
Energy: 1.2140928795494537
Energy: 0.9340659684457074
Energy: 1.214092879586692
Energy: 0.928204415024082
Energy: 1.1827249752499474
Energy: 0.8628854683325679
Energy: 1.1827249750001854
Energy: 0.8617501374291061
Energy: 1.1833434661589701
Energy: 1.0767373343416644
Energy: 1.18334346616228
Energy: 1.2977505940406413
Energy: 1.0419574127382178
Energy: 0.8579430854288614
Energy: 1.0419574127373905
Energy: 0.8666199543348616
Energy: 1.3864932706167616
Energy: 1.2156813313371935
Energy: 1.3864932706167616
Energy: 1.6230078611046022
Energy: 1.290453763365312
Energy: 0.8926172852836598
Energy: 1.2904537633661395
Energy: 0.8618421525035307
Energy: 1.1832797016267724
Energy: 1.325128080673968
Energy: 1.1832797016275998
Energy: 0.8478959609229841
Energy: 1.1972486740505868
Energy: 1.193259817888975
Energy: 1.197248674047352
Energy: 0.8664729186926642
Energy: 1.3872297263634907
Energy: 1.4076531209608663
Energy: 1.3872297263626634
Energy: 1.5437091729297852
Energy: 1.4378548190043725
Energy: 0.8925364705200338
Energy: 1.4378548190043725
Energy: 0.8618735666052219
Energy: 1.1834483526964352
Energy: 1.195489399591102
Energy: 1.18344835269478
Energy: 1.5207768543170037
Energy: 1.223269258636343
Energy: 0.8580286543483496
Energy: 1.2232692586371703
Energy: 0.8665831304151227
Energy: 1.3871114425551783
Energy: 1.1171176322428673
Energy: 1.3871114425551783
Energy: 1.0920757510337307
Energy: 1.4446525759262858
Energy: 0.8630033650639258
Energy: 1.4446525759262858
Energy: 0.8618006098345193
Energy: 1.0448453297210947
Energy: 0.8433503638215322
Energy: 1.0448453297210947
Energy: 1.0851824501623708
Energy: 1.3297208449631133
Energy: 0.8660216229271742
Energy: 1.329720844962286
Energy: 0.8962447066401119
Energy: 1.3879090715784599
Energy: 0.8559771804528574
Energy: 1.3879090715776325
Energy: 1.3242550249706433
Energy: 1.4569170300732925
Energy: 0.8632230885748033
Energy: 1.4569170300732925
Energy: 1.1930927118260624
Energy: 1.1942000946907787
Energy: 0.8475722487909243
Energy: 1.1942000946932612
Energy: 1.194026751800676
Energy: 1.3326132110530573
Energy: 0.866014939605758
Energy: 1.3326132110671252
Energy: 0.896360743541363
Energy: 1.4373432056698516
Energy: 0.8511112678909485
Energy: 1.4373432056690238
Energy: 1.1728162635413302
Energy: 1.4549412938538269
Energy: 0.8631410205549124
Energy: 1.4549412938538269
Energy: 0.861867421081983
Energy: 1.335947953777185
Energy: 1.0925942038477228
Energy: 1.3359479537780123
Energy: 0.857045326789035
Energy: 1.3359340113878835
Energy: 0.8660980573973136
Energy: 1.3359340113878835
Energy: 0.8663738250474682
Energy: 1.4476349818664722
Energy: 1.0920060384064725
Energy: 1.4476349818673
Energy: 0.8432403589195734
Energy: 1.375507741561601
Energy: 0.8678666725603197
Energy: 1.375507741559946
Energy: 0.8618084624939008
Energy: 1.3313080998243683
Energy: 1.0848344180524778
Energy: 1.3313080998243683
Energy: 0.847603784882508
Energy: 1.3535275278141587
Energy: 0.9020196192121268
Energy: 1.3535275278141587

minimum gb energy = 0.8432403589195734 eV
minimum distance =  2.18143274341877 Angstroms
sigma value = 15


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

Energy: 1.0934899900850885
Energy: 1.3201082752376254
Energy: 1.2453957171969234
Energy: 1.3201082752369244
Energy: 1.252242457746416
Energy: 1.2134887089662012
Energy: 0.8113356029826247
Energy: 1.2134887089654998
Energy: 0.8405941672997393
Energy: 1.1857831163804757
Energy: 1.4626979544042955
Energy: 1.185783116378373
Energy: 1.1139456421975018
Energy: 1.202302755334533
Energy: 0.81125017530899
Energy: 1.202302755330327
Energy: 0.8074631117951319
Energy: 1.2463027035289977
Energy: 1.2442945079753582
Energy: 1.2463027035289977
Energy: 0.9817443990542775
Energy: 1.255550889699242
Energy: 0.8112874149055886
Energy: 1.2555508897027472
Energy: 0.8102726196091182
Energy: 1.147349849238467
Energy: 0.9821236807956494
Energy: 1.1473498492363639
Energy: 0.8492667410926542
Energy: 1.081275327772832
Energy: 0.8112777140195431
Energy: 1.0812753277700278
Energy: 0.8134170026792026
Energy: 1.3306932810168928
Energy: 1.1998317678244523
Energy: 1.330693281016192
Energy: 1.2471657264001603
Energy: 1.199711007620921
Energy: 0.8081064342393408
Energy: 1.1997109960296604
Energy: 0.8104090607122282
Energy: 1.2542005071984517
Energy: 1.2367861170951395
Energy: 1.2542005071984517
Energy: 1.4608503987429136
Energy: 1.1354592001226937
Energy: 0.8412944570095117
Energy: 1.135459200121993
Energy: 0.8135608258865898
Energy: 1.3297281424263763
Energy: 1.3070771076847267
Energy: 1.3297281424263763
Energy: 0.7828522567812717
Energy: 1.3178748961485731
Energy: 1.0918128588905398
Energy: 1.3178748961492739
Energy: 0.8106461543466524
Energy: 1.2531650936670513
Energy: 1.3331606334237092
Energy: 1.2531650936656495
Energy: 1.457977393228454
Energy: 1.134413820622964
Energy: 0.8413218272177252
Energy: 1.1344138206208607
Energy: 0.8134225982164717
Energy: 1.3299741786867323
Energy: 1.1896299153512557
Energy: 1.3299741786860313
Energy: 1.4400677998838607
Energy: 1.242657661866227
Energy: 0.8082196191291237
Energy: 1.2426576618676288
Energy: 0.8105002305476928
Energy: 1.2527917193728906
Energy: 1.0770156357548095
Energy: 1.2527917193728906
Energy: 0.9936573465675039
Energy: 1.0946336762644462
Energy: 0.811250658641695
Energy: 1.0946336762041575
Energy: 0.8134478957070478
Energy: 1.2273876098543839
Energy: 0.9409195068791654
Energy: 1.2273876098543839
Energy: 0.9943867094040538
Energy: 1.3256197534130696
Energy: 0.8171815898414844
Energy: 1.3256197534137708
Energy: 0.8104255377610111
Energy: 1.2536045459401017
Energy: 0.7787211638842161
Energy: 1.2536045459408027
Energy: 1.2360098290941313
Energy: 1.244202041448613
Energy: 0.8111370342231992
Energy: 1.2442020414493138
Energy: 0.8434996024153347
Energy: 1.2272164183481953
Energy: 0.7820791461110438
Energy: 1.227216418345391
Energy: 1.206712608617247
Energy: 1.329035570357478
Energy: 0.8173820648273328
Energy: 1.329035570357478
Energy: 1.0918028184177337
Energy: 1.3168255438261687
Energy: 0.7827059259185097
Energy: 1.3168255438254675
Energy: 1.3334994488567056
Energy: 1.2568461822107502
Energy: 0.8112842814895629
Energy: 1.2568461822107502
Energy: 0.84349107669406
Energy: 1.2710709866920935
Energy: 0.7885636583720734
Energy: 1.2710709866864853
Energy: 1.0684614547340257
Energy: 1.3289296505528245
Energy: 0.8173286687309927
Energy: 1.3289296505528245
Energy: 0.8104158699257453
Energy: 1.3251901632080043
Energy: 0.994755277265382
Energy: 1.3251901632087055
Energy: 1.0555067433426089
Energy: 1.205488287533649
Energy: 0.811395569242593
Energy: 1.205488287533649
Energy: 0.8135730695521151
Energy: 1.3559021342802606
Energy: 0.9932321044600518
Energy: 1.3559021342802606
Energy: 0.7870732371502069
Energy: 1.2280639045188435
Energy: 0.8170956215780232
Energy: 1.2280639045153383
Energy: 0.7927796834354787
Energy: 1.328777022733709
Energy: 0.9942722563005115
Energy: 1.3287770227330078
Energy: 0.7786339203991263
Energy: 1.207338600105557
Energy: 0.8143369427947011
Energy: 1.207338600105557
Energy: 0.8135756974752065
Energy: 1.356417861404652
Energy: 1.2493135660311414
Energy: 1.3564178614053533

minimum gb energy = 0.7786339203991263 eV
minimum distance =  2.24958426380637 Angstroms
sigma value = 85


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

Energy: 1.0402335235219966
Energy: 1.2420124920216993
Energy: 1.5726368924649703
Energy: 1.2420124920216993
Energy: 1.280242209660047
Energy: 1.1271364723492556
Energy: 0.7464118484611671
Energy: 1.1271364723498636
Energy: 0.9933916837347171
Energy: 0.9928537976530886
Energy: 1.362997495526366
Energy: 0.9928537976543046
Energy: 1.1650176715709935
Energy: 1.1269777185211154
Energy: 0.7465631718409108
Energy: 1.1269777185211154
Energy: 0.7855643995031967
Energy: 1.073302224699607
Energy: 1.181780926970135
Energy: 1.0733022246989987
Energy: 1.0505481613760572
Energy: 1.1276603183059672
Energy: 0.7466452804133301
Energy: 1.1276603183059672
Energy: 0.7425567648120368
Energy: 1.0143006862108246
Energy: 0.884747335765254
Energy: 1.0143006862108246
Energy: 0.9391929027429549
Energy: 1.1242212373169216
Energy: 0.746622743626366
Energy: 1.1242212373169216
Energy: 0.7457529644061048
Energy: 0.9749776568839302
Energy: 1.0188296011663351
Energy: 0.974977656883322
Energy: 0.8277095093170788
Energy: 1.0132753976399222
Energy: 0.7434618948363187
Energy: 1.0132753976399222
Energy: 0.7467072703813846
Energy: 1.1276696322618336
Energy: 1.1318335459472229
Energy: 1.1276696322612256
Energy: 1.1817425574112523
Energy: 1.1241567593747606
Energy: 0.7863136369004738
Energy: 1.1241567593741524
Energy: 0.7456941185124901
Energy: 1.035059110083985
Energy: 1.2612237288360468
Energy: 1.035059110083377
Energy: 1.3613545800718811
Energy: 0.9937006124648259
Energy: 0.9917200681419401
Energy: 0.9937006124709059
Energy: 0.7489017001417042
Energy: 1.1272324391433377
Energy: 1.297429856807852
Energy: 1.1272324391433377
Energy: 0.7062394623745537
Energy: 1.2302683302888988
Energy: 1.050269447929789
Energy: 1.2302683302882904
Energy: 0.7459041988810523
Energy: 1.034991720111713
Energy: 1.3849710808030222
Energy: 1.034991720111713
Energy: 1.3630313255919775
Energy: 0.9937837792142751
Energy: 0.991967548040546
Energy: 0.993783779213059
Energy: 0.7460645390761625
Energy: 1.1269858612359607
Energy: 1.1912164125457088
Energy: 1.1269858612359607
Energy: 1.3498006986607642
Energy: 1.1601641144203192
Energy: 0.7862781317381458
Energy: 1.1601641144203192
Energy: 0.7456140489502212
Energy: 0.9750284593670131
Energy: 1.064698635956738
Energy: 0.975028459367621
Energy: 0.8857483963237942
Energy: 1.0145965112634265
Energy: 0.7434531854321824
Energy: 1.0145965112634265
Energy: 0.7465274950922127
Energy: 1.1246442127313143
Energy: 0.9635657303506012
Energy: 1.1246442127313143
Energy: 0.8990668453879134
Energy: 1.1486602697593131
Energy: 0.7465657794523031
Energy: 1.1486602697593131
Energy: 0.7459446291431616
Energy: 0.8888457605960061
Energy: 0.8448481974098287
Energy: 0.8888457605960061
Energy: 1.1301731820914578
Energy: 0.9939672005416684
Energy: 0.7455723705851909
Energy: 0.9939672005422764
Energy: 0.7886180412112475
Energy: 1.1244588879275077
Energy: 0.7048903187372223
Energy: 1.1244588879268995
Energy: 1.119762868779645
Energy: 1.2543644677752293
Energy: 0.7466217359216626
Energy: 1.2543644677752293
Energy: 0.9916166466685221
Energy: 0.9921257839633778
Energy: 0.7081310481111383
Energy: 0.9921257839627698
Energy: 1.2972751272155858
Energy: 1.1273912984728418
Energy: 0.7458278875598966
Energy: 1.1273912984728418
Energy: 1.038426841954146
Energy: 1.2287949345443188
Energy: 0.7078206102660489
Energy: 1.2287949345449267
Energy: 1.2177428546793685
Energy: 1.254269384566555
Energy: 0.7466823510457054
Energy: 1.2542693845671626
Energy: 0.9915075221601848
Energy: 0.9919116747042858
Energy: 0.7108334579943336
Energy: 0.9919116747042858
Energy: 1.19168977755491
Energy: 1.1243879589285766
Energy: 0.747136071078778
Energy: 1.1243879589279688
Energy: 0.788745941626036
Energy: 1.159242971049961
Energy: 0.8924457285556998
Energy: 1.159242971049961
Energy: 0.9596530615344825
Energy: 1.2527214535876778
Energy: 0.7466797161288369
Energy: 1.2527214535876778
Energy: 0.7459525032961714
Energy: 1.0131933635210448
Energy: 0.8926475814481936
Energy: 1.0131933635210448
Energy: 0.9441506441256654
Energy: 1.1244951439783963
Energy: 0.7472477687016733
Energy: 1.1244951439790045
Energy: 0.7465770162475673
Energy: 1.2516410112429541
Energy: 0.8986769315755322
Energy: 1.2516410112435623
Energy: 0.7153244697907242
Energy: 1.1729848418275486
Energy: 0.7425227290029848
Energy: 1.1729848418275486
Energy: 0.7455039705270792
Energy: 0.9915253895215965
Energy: 1.1308978298109775
Energy: 0.9915253895203805
Energy: 0.7046792612760892
Energy: 1.1242152131104861
Energy: 0.7856042136417171
Energy: 1.1242152131104861
Energy: 0.7462393586868059
Energy: 1.2519561662212186
Energy: 1.1268636022106737
Energy: 1.2519561662212186

minimum gb energy = 0.7046792612760892 eV
minimum distance =  2.25090500114647 Angstroms
sigma value = 113


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

Energy: 0.020517294603571254
Energy: 0.021523595344466333
Energy: 2.228566050326918
Energy: 0.021523595344466333
Energy: 1.0396390732392564
Energy: 0.43639957767192666
Energy: 0.4361297273354557
Energy: 0.43639957767234216
Energy: 0.020517294603571254
Energy: 0.021523595344466333
Energy: 1.04014565845203
Energy: 0.021523595344466333
Energy: 1.039639073238789
Energy: 0.43639957767192666
Energy: 0.4361297273354557
Energy: 0.43639957767234216
Energy: 0.020517294603571254
Energy: 0.021523595343998933
Energy: 1.040147151212225
Energy: 0.021523595344466333
Energy: 1.0396390732392564
Energy: 0.43639957767192666
Energy: 0.43612972733592303
Energy: 0.43639957767234216

minimum gb energy = 0.020517294603571254 eV
minimum distance =  2.4847372122012 Angstroms
sigma value = 1