Model name: model_name=Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999995827675
cohesive_energy=4.450349977971171
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.022233457351508102
Energy: 1.456768957145351
Energy: 1.3426647578684112
Energy: 1.4542903476778328
Energy: 0.022233457351508102
Energy: 1.4567699759629065
Energy: 2.347537098162888
Energy: 1.2527966267198536
Energy: 0.022715738142176554
Energy: 2.072838576154488
Energy: 0.9778955444285216
Energy: 1.2527966267224944
Energy: 0.2907835352643421
Energy: 2.072838576154488
Energy: 0.022233457351508102
Energy: 1.456767946475926
Energy: 1.6740972399336336
Energy: 1.4508202660043565
Energy: 0.022233457351508102
Energy: 1.4567681609742782
Energy: 2.347537098162888
Energy: 1.2527966267198536
Energy: 0.3095987854839449
Energy: 2.072838576154488
Energy: 0.9778955442516571
Energy: 1.2527966267224944
Energy: 0.28330470490377896
Energy: 2.072838576154488
Energy: 0.022233457351508102
Energy: 1.4567691742382762
Energy: 2.7277035263116387
Energy: 1.4444512686730653
Energy: 0.022233457351508102
Energy: 1.4567698038469186
Energy: 2.7277035260450515
Energy: 1.2527966267198536
Energy: 0.284716865324179
Energy: 2.072838576154488
Energy: 0.9778955444918375
Energy: 1.2527966267198536
Energy: 0.28191031817094064
Energy: 2.072838576154488

minimum gb energy = 0.022233457351508102 eV
minimum distance =  2.34037729283359 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 2.3706506176845457
Energy: 2.6000548541658977
Energy: 2.7815167065474387
Energy: 2.626126939419217
Energy: 2.370650617690998
Energy: 2.6000548541658977
Energy: 2.7606330861241
Energy: 2.25244468133234
Energy: 2.42467513752944
Energy: 2.7250045862140393
Energy: 2.4181251333945015
Energy: 2.252444681325888
Energy: 2.424675137526214
Energy: 2.7250045862172656
Energy: 2.2562709441035835
Energy: 2.2563230911098406
Energy: 2.660514100592399
Energy: 2.3623461644309893
Energy: 2.2562709441035835
Energy: 2.2563230911066143
Energy: 2.660514100592399
Energy: 2.521232070816014
Energy: 2.724249693929676
Energy: 2.6879870090114326
Energy: 2.588078479854628
Energy: 2.5212320708385376
Energy: 2.724249693929676
Energy: 2.6879870090049804
Energy: 2.568802745863891
Energy: 2.394235086348145
Energy: 2.6169665631464594
Energy: 2.3355102367967335
Energy: 2.5688027458671168
Energy: 2.394235086354598
Energy: 2.6491697954890383
Energy: 2.3414946448245093
Energy: 2.5168049508770745
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Energy: 2.4515614333966185
Energy: 2.3414946448051523
Energy: 2.5168049508738486
Energy: 2.515629518947107
Energy: 2.3308202370728273
Energy: 2.5701630365488084
Energy: 2.6590230996306516
Energy: 2.4184922257464727
Energy: 2.33082023707928
Energy: 2.5701630365520347
Energy: 2.6590230996306516
Energy: 2.3684294260839294
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Energy: 2.643177774979747
Energy: 2.33948058506421
Energy: 2.368429426077477
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Energy: 2.643177774976521
Energy: 2.158428728899308
Energy: 2.521826021679782
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Energy: 2.680662734205687
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Energy: 2.643897221451023
Energy: 2.5402409762703604
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Energy: 2.3830383911589603
Energy: 2.5541809896318646
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Energy: 2.3830383911557345
Energy: 2.554180989635091
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Energy: 2.3730315585792185
Energy: 2.823617899864179
Energy: 2.4196841020875492
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Energy: 2.373031558582445
Energy: 2.823617899864179
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Energy: 2.558956917021623
Energy: 2.6986284174944073
Energy: 2.6499167546370375
Energy: 2.540552692579655
Energy: 2.5589569170280746
Energy: 2.6986284174847284
Energy: 2.076057114337187
Energy: 2.3521649187476092
Energy: 2.7652169149569104
Energy: 2.3142458231157685
Energy: 2.076057114337187
Energy: 2.3521649187476092
Energy: 2.7652169149569104
Energy: 2.25624358119399
Energy: 2.613023459292242
Energy: 2.6172752445944623
Energy: 2.3823722223032604
Energy: 2.25624358119399
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Energy: 2.617275244591236
Energy: 2.4350368991740448
Energy: 2.6877432426689714
Energy: 2.955549904687447
Energy: 2.6272529083176677
Energy: 2.4350368991740448
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Energy: 2.9555499046938407
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Energy: 2.490121414212795
Energy: 2.671834042384881
Energy: 2.366052791644888
Energy: 2.1762093219468093
Energy: 2.4901214142095687
Energy: 2.671834042384881
Energy: 2.2993670039711924
Energy: 2.201901490012007
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Energy: 2.2993670039744187
Energy: 2.201901490015233
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Energy: 2.4600284446030547
Energy: 2.6812786549706886
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Energy: 2.4181702620001118
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Energy: 2.6812786549674623
Energy: 2.4887460868816955
Energy: 2.4261704367064008
Energy: 2.6426833844624738
Energy: 2.390326982178221
Energy: 2.4887460868816955
Energy: 2.4261704367064008
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Energy: 2.370944059390821
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Energy: 2.6586347144780964
Energy: 2.3769550987723393
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Energy: 2.3599810133015593
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Energy: 2.636430497399981
Energy: 2.301977432726453
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Energy: 2.2763720939353584
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Energy: 2.703474961928971
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Energy: 2.678722638922587
Energy: 2.543982784282493
Energy: 2.4746091817678604
Energy: 2.463744377313899
Energy: 2.6787226389161343
Energy: 2.3528477317219303
Energy: 2.381558257133356
Energy: 2.652068122754522
Energy: 2.532894631349036
Energy: 2.3528477317251566
Energy: 2.381558257136582
Energy: 2.652068122754522
Energy: 2.3324726776843594
Energy: 2.3195092376220554
Energy: 2.801947797519897
Energy: 2.387553379853979
Energy: 2.332472677674682
Energy: 2.319509237615603
Energy: 2.801947797519897
Energy: 2.5536675291782482
Energy: 2.6151896581314955
Energy: 2.790291135781968
Energy: 2.4971667275180134
Energy: 2.5536675291814745
Energy: 2.6151896581314955
Energy: 2.7902911357851945
Energy: 2.181000234278224
Energy: 2.4032740929815914
Energy: 2.6466229038705142
Energy: 2.2065360310679183
Energy: 2.1810002342814503
Energy: 2.403274092978365
Energy: 2.6466229038737397
Energy: 2.2608611978634965
Energy: 2.499033661573816
Energy: 2.6075084791434384
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Energy: 2.6075084791466647
Energy: 2.5667009138010033
Energy: 2.5539427052050905
Energy: 2.678486946956256
Energy: 2.5601432971691813
Energy: 2.5667009137977774
Energy: 2.5539427052083163
Energy: 2.6784869469530297
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Energy: 2.7123244746504844
Energy: 2.4881036686071214
Energy: 2.2680877300489475
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Energy: 2.7123244746504844
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Energy: 2.2872626551223036
Energy: 2.618196582913081
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Energy: 2.287262655128756
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Energy: 2.5179497775035706
Energy: 2.4073996268463906
Energy: 2.5881274155323286
Energy: 2.4922389659867226
Energy: 2.5179497775003448
Energy: 2.4073996268496165
Energy: 2.588127415535555
Energy: 2.3167296800675814
Energy: 2.506137485696441
Energy: 2.6361903753025278
Energy: 2.401086263732595
Energy: 2.316729680064355
Energy: 2.506137485699667
Energy: 2.636190375305753
Energy: 2.5070175530596917
Energy: 2.5764984641423876
Energy: 2.635705877524766
Energy: 2.3898481341634876
Energy: 2.5070175530629175
Energy: 2.5764984641423876
Energy: 2.635705877524766
Energy: 2.2684367524509415
Energy: 2.519386653961525
Energy: 2.630417600092427
Energy: 2.341092770119215
Energy: 2.268436752447715
Energy: 2.519386653961525
Energy: 2.630417600085975
Energy: 2.165576788340304
Energy: 2.2900757448059346
Energy: 2.7064234512385426
Energy: 2.2341120767160967
Energy: 2.165576788340304
Energy: 2.2900757448059346
Energy: 2.706423451241769
Energy: 2.155021545669674
Energy: 2.510124308648257
Energy: 2.6517366072913577
Energy: 2.6645367677110623
Energy: 2.155021545666448
Energy: 2.510124308651483
Energy: 2.6517366072913577
Energy: 2.378613422867378
Energy: 2.552797120133794
Energy: 2.821129727353602
Energy: 2.6873554572327287
Energy: 2.378613422864152
Energy: 2.552797120133794
Energy: 2.8211297273729588
Energy: 2.3199229955385374
Energy: 2.444222035338326
Energy: 2.582728717427365
Energy: 2.503622774532679
Energy: 2.3199229955417637
Energy: 2.4442220353350996
Energy: 2.582728717427365
Energy: 2.2974210933788015
Energy: 2.4528382361705634
Energy: 2.824742191255461
Energy: 2.3857209637740615
Energy: 2.297421093382028
Energy: 2.4528382361705634
Energy: 2.824742191255461
Energy: 2.4678675499737115
Energy: 2.7665365180500405
Energy: 2.7123501649118613
Energy: 2.4891696730902466
Energy: 2.467867549970485
Energy: 2.766536518046814
Energy: 2.712350164918314
Energy: 2.241764346434026
Energy: 2.392972080957866
Energy: 2.71997281535101
Energy: 2.3407624949303254
Energy: 2.2417643464468715
Energy: 2.392972080964318
Energy: 2.719972815347784
Energy: 2.201495867172146
Energy: 2.3648730391007637
Energy: 2.5853729830981065
Energy: 2.365677447594375
Energy: 2.201495867172146
Energy: 2.3648730391039896
Energy: 2.5853729830981065
Energy: 2.5236020156488466
Energy: 2.4732378563008073
Energy: 2.789456714203071
Energy: 2.5530699074963863
Energy: 2.5236020156488466
Energy: 2.473237856294355
Energy: 2.789456714199845
Energy: 2.1109365623526397
Energy: 2.4942818107274713
Energy: 2.6823775998121544
Energy: 2.5558540872911846
Energy: 2.1109365623526397
Energy: 2.494281810730697
Energy: 2.6823775998121544

minimum gb energy = 2.076057114337187 eV
minimum distance =  2.26627837425897 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 2.2101267339903505
Energy: 2.344651682525852
Energy: 2.8361067421279733
Energy: 2.3850122050947866
Energy: 2.2101267339903505
Energy: 2.3446516825368375
Energy: 2.8448153821023334
Energy: 2.239544263374905
Energy: 2.278860245109404
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Energy: 2.278860245109404
Energy: 2.6872604428353726
Energy: 2.272446152604379
Energy: 2.4536061188839544
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Energy: 2.5503118479863383
Energy: 2.2444326809010002
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Energy: 2.5040319323177815
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Energy: 2.5286164634386945
Energy: 2.5170615451338922
Energy: 2.6413678525657738
Energy: 2.5595768844913
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Energy: 2.5170615451302307
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Energy: 2.5906658880812796
Energy: 2.442888563163939
Energy: 2.529831689246565
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Energy: 2.5298316892429025
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Energy: 2.310436888367937
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Energy: 2.284901748253464
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Energy: 2.846906534173759
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Energy: 2.278860245109404
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Energy: 2.364545883755193
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Energy: 2.632931164055867
Energy: 2.6497167633224215
Energy: 2.4036485325619226
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Energy: 2.3510277434618136
Energy: 2.4897815568862853
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Energy: 2.4897815568862853
Energy: 2.745640933154839
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Energy: 2.407480805666089
Energy: 2.873921043193114
Energy: 2.339608478196216
Energy: 2.20601026433518
Energy: 2.407480805666089
Energy: 2.873921043196776
Energy: 2.2591908571389947
Energy: 2.310436888367937
Energy: 2.856240349905319
Energy: 2.284901748257126
Energy: 2.2591908571353327
Energy: 2.310436888367937
Energy: 2.8562403499016575
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Energy: 2.34465168245268
Energy: 2.8448153821023334
Energy: 2.3850122050947866
Energy: 2.2101267339903505
Energy: 2.3446516824600034
Energy: 2.8448153820986715
Energy: 2.239544263374905
Energy: 2.278860245109404
Energy: 2.666816814716572
Energy: 2.3359653346961453
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Energy: 2.278860245109404
Energy: 2.666816814709248
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Energy: 2.4536061188839544
Energy: 2.6527731632261213
Energy: 2.380210493556609
Energy: 2.272446152600717
Energy: 2.453606118887616
Energy: 2.652773163222459
Energy: 2.632475882325566
Energy: 2.757997754994849
Energy: 2.584848375111873
Energy: 2.3210590970789275
Energy: 2.632475882325566
Energy: 2.7579977549985113
Energy: 2.584848375111873
Energy: 2.2444326809010002
Energy: 2.8549822261513396
Energy: 2.5667938622117528
Energy: 2.311619028677317
Energy: 2.2444326809010002
Energy: 2.8549822261550015
Energy: 2.5667938622117528
Energy: 2.5170615451338922
Energy: 2.6413678525657738
Energy: 2.6679521220729177
Energy: 2.344437332648027
Energy: 2.5170615451338922
Energy: 2.641367852569436
Energy: 2.6679521220729177
Energy: 2.442888563163939
Energy: 2.529831689246565
Energy: 2.725544569659501
Energy: 2.4548064443034465
Energy: 2.442888563163939
Energy: 2.5298316892429025
Energy: 2.725544569659501
Energy: 2.4531097028269193
Energy: 2.409645174390777
Energy: 2.7758285503945626
Energy: 2.519400721282735
Energy: 2.4531097028232574
Energy: 2.409645174394439
Energy: 2.7758285503945626
Energy: 2.4911524933313394
Energy: 2.3645458837478692
Energy: 2.6034728615960923
Energy: 2.7853684225336286
Energy: 2.4911524933276774
Energy: 2.3645458837478692
Energy: 2.6034728615924307
Energy: 2.403648532539951
Energy: 2.38493784851358
Energy: 2.6813141502765254
Energy: 2.6497167633224215
Energy: 2.403648532536289
Energy: 2.3849378484769606
Energy: 2.6813141502765254
Energy: 2.3510277434618136
Energy: 2.477953854463497
Energy: 2.745640933154839
Energy: 2.580570357523305
Energy: 2.3510277434618136
Energy: 2.477953854463497
Energy: 2.745640933151178
Energy: 2.2596936709509117
Energy: 2.407480805666089
Energy: 2.9016092437593564
Energy: 2.339608478196216
Energy: 2.2596936709545736
Energy: 2.407480805666089
Energy: 2.901609243755694
Energy: 2.193394789316029
Energy: 2.310436888367937
Energy: 2.8562403499016575
Energy: 2.284901748253464
Energy: 2.193394789316029
Energy: 2.310436888367937
Energy: 2.8562403499016575
Energy: 2.160818253908761
Energy: 2.344651682441694
Energy: 2.8173247193869093
Energy: 2.3850122050947866
Energy: 2.1608182538977747
Energy: 2.3446516824343697
Energy: 2.8173247193832474
Energy: 2.239544263374905
Energy: 2.278860245109404
Energy: 2.6668168147129094
Energy: 2.452071266571766
Energy: 2.2395442633712435
Energy: 2.278860245109404
Energy: 2.666816814709248

minimum gb energy = 2.1608182538977747 eV
minimum distance =  2.27168795354544 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.664897860855039
Energy: 2.528439122919248
Energy: 2.7553157597563493
Energy: 2.5527984170239213
Energy: 2.6648978608563074
Energy: 2.528439122919248
Energy: 2.8873177517406896
Energy: 2.4395189486014286
Energy: 2.294755102715037
Energy: 2.6857329160463865
Energy: 2.3885431609396113
Energy: 2.439518948601006
Energy: 2.2947551027141913
Energy: 2.6857329160455414
Energy: 2.300813277070011
Energy: 2.449845626692759
Energy: 2.4113568388665305
Energy: 2.4274530804984367
Energy: 2.30081327707128
Energy: 2.449845626692759
Energy: 2.4113568388694904
Energy: 2.4648727042902383
Energy: 2.215239925863711
Energy: 2.679557715721712
Energy: 2.307524745358676
Energy: 2.4648727042906615
Energy: 2.215239925866248
Energy: 2.679557715721712
Energy: 2.3130127292897424
Energy: 2.5544678850095393
Energy: 2.659736225667295
Energy: 2.6573786533780392
Energy: 2.3130127292918568
Energy: 2.554467885011653
Energy: 2.6597362256685635
Energy: 2.6709662249309747
Energy: 2.348690541324548
Energy: 2.708733617801657
Energy: 2.453733690652615
Energy: 2.6709662249309747
Energy: 2.348690541324125
Energy: 2.7087336178058856
Energy: 2.4176428512760415
Energy: 2.493223963396038
Energy: 2.367385687337716
Energy: 2.4897795242345273
Energy: 2.41764285127435
Energy: 2.493223963396038
Energy: 2.459213568464879
Energy: 2.537350350801104
Energy: 2.5271947786546463
Energy: 2.810627580702465
Energy: 2.2476770790341813
Energy: 2.537350350801527
Energy: 2.5271947786542235
Energy: 2.810627580702465
Energy: 2.4546540044368443
Energy: 2.397681302991115
Energy: 2.5594812595617285
Energy: 2.401001931341517
Energy: 2.454654004437267
Energy: 2.397681302990692
Energy: 2.5970188631021274
Energy: 2.4540760870677603
Energy: 2.4383900154961298
Energy: 2.649842347655168
Energy: 2.468920059042287
Energy: 2.4540760870762175
Energy: 2.4383900154961298
Energy: 2.6498423476564366
Energy: 2.483249438007791
Energy: 2.4887027909165007
Energy: 2.652075834235004
Energy: 2.317932261302143
Energy: 2.4832494380090595
Energy: 2.4887027909165007
Energy: 2.6520758342362725
Energy: 2.5387586304722802
Energy: 2.544813665409271
Energy: 2.889911302764999
Energy: 2.754328469402245
Energy: 2.5387586304773544
Energy: 2.544813665407157
Energy: 2.889911302767113
Energy: 2.4230345191083402
Energy: 2.3131840004545015
Energy: 2.5478076297296406
Energy: 2.3492104346437297
Energy: 2.4230345191083402
Energy: 2.3131840004545015
Energy: 2.547807629729218
Energy: 2.2329235659013356
Energy: 2.51731627954605
Energy: 2.761545728688272
Energy: 2.498603994160862
Energy: 2.2329235659004896
Energy: 2.5173162795464727
Energy: 2.761545728687849
Energy: 2.4448530834446647
Energy: 2.397185790675748
Energy: 2.5313202796431344
Energy: 2.323306318916021
Energy: 2.4448530834455107
Energy: 2.397185790675748
Energy: 2.5313202796431344
Energy: 2.397210439988455
Energy: 2.707585425250171
Energy: 2.8974227487136206
Energy: 2.5097808568301305
Energy: 2.3972104399774605
Energy: 2.7075854252510174
Energy: 2.897422748714889
Energy: 2.506964163774052
Energy: 2.2497207128076697
Energy: 2.6448618175056695
Energy: 2.4815109971945613
Energy: 2.5069641637748976
Energy: 2.2497207128076697
Energy: 2.644861817504824
Energy: 2.508256155961034
Energy: 2.3816228833319815
Energy: 2.6442377349178794
Energy: 2.4407117493639046
Energy: 2.508256155952154
Energy: 2.3816228833319815
Energy: 2.6442377349174557
Energy: 2.4734666416164868
Energy: 2.4819631760409657
Energy: 2.51776136363781
Energy: 2.249296697764027
Energy: 2.4734666416189857
Energy: 2.4819631760418113
Energy: 2.5177613636373866
Energy: 2.478909411541729
Energy: 2.3606022382718383
Energy: 2.849466123464985
Energy: 2.5560777039025537
Energy: 2.4789094115408834
Energy: 2.3606022382718383
Energy: 2.8494661234632934
Energy: 2.466716797039253
Energy: 2.52185051793881
Energy: 2.4133610141814046
Energy: 2.549889232626711
Energy: 2.4667167970400987
Energy: 2.5218505179392334
Energy: 2.569576774220041
Energy: 2.6727873703011062
Energy: 2.4064127465384746
Energy: 2.6911229849483753
Energy: 2.4524949101984364
Energy: 2.6727873703015295
Energy: 2.406412746537629
Energy: 2.691122984947952
Energy: 2.3974677936035276
Energy: 2.660638302256094
Energy: 2.6305495028704313
Energy: 2.615533051511089
Energy: 2.397467793604373
Energy: 2.660638302256094
Energy: 2.7853627321222993
Energy: 2.4423358388115113
Energy: 2.269711335394099
Energy: 2.688112530696315
Energy: 2.214775908305179
Energy: 2.4423358388115113
Energy: 2.269711335391985
Energy: 2.6881125306950464
Energy: 2.318598487113622
Energy: 2.445676157599196
Energy: 2.5745896757150817
Energy: 2.40237393746485
Energy: 2.3185984871127765
Energy: 2.445676157599619
Energy: 2.7096610332030324
Energy: 2.4202855618895
Energy: 2.429033796679473
Energy: 2.7607779399762116
Energy: 2.275583111686628
Energy: 2.4202855618928827
Energy: 2.429033796679473
Energy: 2.760777939975366
Energy: 2.5448578582252943
Energy: 2.514396464589652
Energy: 2.849149612839241
Energy: 2.5729029058189314
Energy: 2.5448578582231796
Energy: 2.5143964645883834
Energy: 2.800243113732668
Energy: 2.4713228724443277
Energy: 2.2531583396473254
Energy: 2.6891724713916396
Energy: 2.369969981048504
Energy: 2.4713228724455965
Energy: 2.253158339648171
Energy: 2.689172471390794
Energy: 2.402056229713879
Energy: 2.363653008580034
Energy: 2.5396270339707225
Energy: 2.478076610710345
Energy: 2.402056229713879
Energy: 2.363653008582571
Energy: 2.547028184727162
Energy: 2.4563260858002387
Energy: 2.262622641712906
Energy: 2.6146875853100653
Energy: 2.2778908988302145
Energy: 2.4563260858006615
Energy: 2.262622641713752
Energy: 2.6146875853096425
Energy: 2.3289889744009633
Energy: 2.5894685647866393
Energy: 2.794393391398558
Energy: 2.6402555409479405
Energy: 2.3289889744005405
Energy: 2.589468564786217
Energy: 2.794393391397712
Energy: 2.5596014923839974
Energy: 2.482395422488958
Energy: 2.618571531436072
Energy: 2.439004978509146
Energy: 2.559601492384843
Energy: 2.482395422488958
Energy: 2.618571531433957
Energy: 2.501572108874115
Energy: 2.4574981915630385
Energy: 2.500380296757619
Energy: 2.475612575046436
Energy: 2.501572108872846
Energy: 2.4574981915643073
Energy: 2.5640372264685065
Energy: 2.4387129406788874
Energy: 2.5006107499449297
Energy: 2.783662971460428
Energy: 2.34588227254775
Energy: 2.4387129406763504
Energy: 2.500610749944507
Energy: 2.7836629714621197
Energy: 2.5216734305066466
Energy: 2.378901959547417
Energy: 2.56001145085262
Energy: 2.402337782918927
Energy: 2.521673430510452
Energy: 2.378901959548263
Energy: 2.586318666000756
Energy: 2.4773620770554508
Energy: 2.46137269188949
Energy: 2.693954573804545
Energy: 2.492376312926329
Energy: 2.477362077054605
Energy: 2.4613726918899124
Energy: 2.693954573803699

minimum gb energy = 2.214775908305179 eV
minimum distance =  2.26278481132249 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 2.7426465275178376
Energy: 2.290473840095992
Energy: 2.9916175005527204
Energy: 2.2159661853720687
Energy: 2.7426465275188354
Energy: 2.290473840095992
Energy: 3.0360790730839473
Energy: 2.8581248359670886
Energy: 2.424858420717547
Energy: 2.618269781865768
Energy: 2.648075316389439
Energy: 2.8581248359690847
Energy: 2.4248584207200423
Energy: 2.6182697818662666
Energy: 2.737628610174658
Energy: 2.1231668806803365
Energy: 2.710174393575652
Energy: 2.4584510308188077
Energy: 2.7376286101791494
Energy: 2.1231668806813344
Energy: 2.710174393574654
Energy: 2.7273390716330765
Energy: 2.7325182410156734
Energy: 2.555690090559144
Energy: 2.5431354371754114
Energy: 2.7273390716305816
Energy: 2.7325182410166713
Energy: 2.5556900905596436
Energy: 2.2860971242051953
Energy: 2.559814743690562
Energy: 2.6148627266280347
Energy: 2.338370990322885
Energy: 2.2860971242022012
Energy: 2.5598147436890644
Energy: 2.6148627266280347
Energy: 2.8208892304922646
Energy: 2.4686827608698962
Energy: 3.2506005920969105
Energy: 2.731196305332389
Energy: 2.8208892304927633
Energy: 2.468682760868399
Energy: 3.2506005920994054
Energy: 2.230024370552117
Energy: 2.4369167294979626
Energy: 2.212464618578374
Energy: 2.558259770072676
Energy: 2.2300243705511194
Energy: 2.4369167293308753
Energy: 2.2124646185798715
Energy: 3.0746987700668886
Energy: 2.2405942757685926
Energy: 3.134733479149195
Energy: 2.2425091156806136
Energy: 3.074698770068885
Energy: 2.240594275774082
Energy: 3.134733479160673
Energy: 2.245675867025358
Energy: 2.549393854541462
Energy: 2.268214162291587
Energy: 2.4259197232388923
Energy: 2.245675867023362
Energy: 2.5493938545444563
Energy: 2.40993254065332
Energy: 2.821475202876581
Energy: 2.7106102455927794
Energy: 3.2351608174863915
Energy: 2.471738883196279
Energy: 2.8214752028795296
Energy: 2.7106102455977696
Energy: 3.2351608174863915
Energy: 2.2965014910515813
Energy: 2.3410116889566837
Energy: 2.734519453313751
Energy: 2.560364290696484
Energy: 2.2965014910540757
Energy: 2.341011688957682
Energy: 2.7345194533142494
Energy: 2.7279421670410855
Energy: 2.5428730117438896
Energy: 2.545323211404983
Energy: 2.7449466395980386
Energy: 2.7279421670405863
Energy: 2.54287301174339
Energy: 2.545323211405482
Energy: 2.738171619191182
Energy: 2.463537944110472
Energy: 3.050125229757211
Energy: 2.1206115066429665
Energy: 2.7381716191902297
Energy: 2.463537944112922
Energy: 3.0840824723098708
Energy: 2.8598510525812277
Energy: 2.6559406373171917
Energy: 2.620629433498497
Energy: 2.428679220563382
Energy: 2.859851052583224
Energy: 2.6559406373206853
Energy: 2.6206294334999947
Energy: 2.7426465275183363
Energy: 2.290473840095992
Energy: 2.957793155183774
Energy: 2.2159661853680768
Energy: 2.7426465275188354
Energy: 2.290473840095992
Energy: 2.962827328860338
Energy: 2.858124835965591
Energy: 2.424858420717547
Energy: 2.618269781865768
Energy: 2.6480753164128936
Energy: 2.8581248359660907
Energy: 2.42485842072104
Energy: 2.6182697818662666
Energy: 2.737628610174658
Energy: 2.1231668806818336
Energy: 2.710174393575652
Energy: 2.458451030819307
Energy: 2.7376286101786507
Energy: 2.1231668806808353
Energy: 2.710174393574155
Energy: 2.727339071631579
Energy: 2.7325182410156734
Energy: 2.555690090559144
Energy: 2.5431354371749126
Energy: 2.727339071631579
Energy: 2.732518241016172
Energy: 2.555690090559144
Energy: 2.2860971242056944
Energy: 2.559814743690562
Energy: 2.614862726628534
Energy: 2.338370990323383
Energy: 2.286097124203199
Energy: 2.5598147436890644
Energy: 2.614862726627536
Energy: 2.8208892304927633
Energy: 2.468682760869397
Energy: 3.2506005920969105
Energy: 2.731196305332389
Energy: 2.8208892304927633
Energy: 2.4686827608713933
Energy: 3.2506005921004033
Energy: 2.2300243705531155
Energy: 2.436916730220752
Energy: 2.390815434781237
Energy: 2.558259770071179
Energy: 2.230024370551618
Energy: 2.4369167303444685
Energy: 2.3908154347822355
Energy: 3.0746987700668886
Energy: 2.2405942757950417
Energy: 3.1347334791581782
Energy: 2.2425091156801145
Energy: 3.074698770068885
Energy: 2.240594275799034
Energy: 3.134733479141211
Energy: 2.245675867024859
Energy: 2.5493938545409627
Energy: 2.33706981438176
Energy: 2.4259197232398906
Energy: 2.245675867023362
Energy: 2.549393854533477
Energy: 2.3370698143812607
Energy: 2.821475202875583
Energy: 2.710610245593278
Energy: 3.235160817487889
Energy: 2.471738883196279
Energy: 2.821475202879076
Energy: 2.7106102455952743
Energy: 3.2351608174853936
Energy: 2.2965014910515813
Energy: 2.3410116889566837
Energy: 2.787771608413386
Energy: 2.5603642906954858
Energy: 2.296501491055074
Energy: 2.3410116889571824
Energy: 2.8335691999699244
Energy: 2.7279421670410855
Energy: 2.5428730117438896
Energy: 2.545323211404484
Energy: 2.7449466395985374
Energy: 2.7279421670405863
Energy: 2.54287301174339
Energy: 2.5453232114024877
Energy: 2.738171619191182
Energy: 2.463537944109973
Energy: 3.1483511886316182
Energy: 2.1206115066424682
Energy: 2.7381716191902297
Energy: 2.463537944113421
Energy: 3.148351188626628
Energy: 2.8598510525817264
Energy: 2.6559406373146968
Energy: 2.6206294334989964
Energy: 2.4286792205708676
Energy: 2.8598510525792316
Energy: 2.6559406373161942
Energy: 2.6206294335004934
Energy: 2.7426465275188354
Energy: 2.290473840095992
Energy: 2.932517225572621
Energy: 2.2159661853665797
Energy: 2.7426465275188354
Energy: 2.2904738400969897
Energy: 2.932517225571623
Energy: 2.858124835965591
Energy: 2.424858420718046
Energy: 2.6182697818662666
Energy: 2.6480753163669823
Energy: 2.8581248359660907
Energy: 2.4248584207215393
Energy: 2.6182697818662666

minimum gb energy = 2.1206115066424682 eV
minimum distance =  2.28347684905072 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.330242865477544
Energy: 2.5198297717644045
Energy: 2.6678403634801797
Energy: 2.4708538524245682
Energy: 2.330242865475754
Energy: 2.5198297717644045
Energy: 2.8819788941176765
Energy: 2.6034772339271273
Energy: 2.599978976418058
Energy: 2.5284836774476123
Energy: 2.7017654520376397
Energy: 2.6034772338811134
Energy: 2.5999789764204815
Energy: 2.5284836774464003
Energy: 2.4862339456497313
Energy: 2.285504888954571
Energy: 2.454372476206111
Energy: 2.5731437475944205
Energy: 2.486233945650337
Energy: 2.285504888954571
Energy: 2.4543724762067174
Energy: 2.6066731187231613
Energy: 2.5361780546292065
Energy: 2.5877992867967445
Energy: 2.4566310210546938
Energy: 2.6066731187213437
Energy: 2.5361780546292065
Energy: 2.587799286798562
Energy: 2.2287269831884813
Energy: 2.411726626144765
Energy: 2.292078812163811
Energy: 2.5475649635463293
Energy: 2.2287269831884813
Energy: 2.411726626144765
Energy: 2.2920788121644167
Energy: 2.584556314391897
Energy: 2.4443510271290143
Energy: 2.920152395160702
Energy: 2.262062422856475
Energy: 2.584556314394926
Energy: 2.444351027127803
Energy: 2.920152395160096
Energy: 2.472675846916621
Energy: 2.384889892691746
Energy: 2.307833977566224
Energy: 2.5276513116423645
Energy: 2.472675846914803
Energy: 2.3848898926911404
Energy: 2.3078339775668297
Energy: 2.447016394045652
Energy: 2.6786845389691925
Energy: 2.936026717781685
Energy: 2.378676942545459
Energy: 2.447016394046864
Energy: 2.678684538969799
Energy: 2.936026717781079
Energy: 2.405694524137899
Energy: 2.3106384597800886
Energy: 2.6689231559904276
Energy: 2.7211496832017184
Energy: 2.405694524137293
Energy: 2.3106384597806944
Energy: 2.6689231559910334
Energy: 2.585270266242148
Energy: 2.617574603024027
Energy: 2.4867552631077388
Energy: 2.336184363852046
Energy: 2.5852702662427536
Energy: 2.6175746030234217
Energy: 2.4867552631083445
Energy: 2.5017394931681673
Energy: 2.2720607261452703
Energy: 2.688292559214547
Energy: 2.3815829194158473
Energy: 2.5017394931687735
Energy: 2.2720607261458756
Energy: 2.6882925592151525
Energy: 2.236966562973557
Energy: 2.552054945468717
Energy: 2.612038297911833
Energy: 2.3129082308301947
Energy: 2.236966562974769
Energy: 2.5520549454681114
Energy: 2.612038297910621
Energy: 2.4292225977475206
Energy: 2.4328472858629144
Energy: 2.44200671861519
Energy: 2.625773396704786
Energy: 2.4292225977475206
Energy: 2.4328472858623083
Energy: 2.3791893537400766
Energy: 2.5646046062968457
Energy: 2.409962657868011
Energy: 2.92518150967074
Energy: 2.1981836094872382
Energy: 2.564604606295634
Energy: 2.409962657867405
Energy: 2.9251815096701335
Energy: 2.5405350463552065
Energy: 2.5848654917114238
Energy: 2.3824755858857434
Energy: 2.8430707949652483
Energy: 2.5405350463546004
Energy: 2.5848654917114238
Energy: 2.382475585885137
Energy: 2.5476855799372182
Energy: 2.5082243694386137
Energy: 3.0365459497606775
Energy: 2.246997439215893
Energy: 2.5476855799372182
Energy: 2.5082243694398256
Energy: 3.0365459497612832
Energy: 2.5669210796016397
Energy: 2.5436760367314464
Energy: 2.675729022540274
Energy: 2.818287879160947
Energy: 2.566921079602245
Energy: 2.5436760367278115
Energy: 2.675729022540274
Energy: 2.3718596682443236
Energy: 2.414405702529797
Energy: 2.7070622558284425
Energy: 2.5086790190987056
Energy: 2.3718596682449293
Energy: 2.4144057025310084
Energy: 2.7070622558290203
Energy: 2.3998068180736434
Energy: 2.629380512351384
Energy: 2.556146390012136
Energy: 2.4067289477929337
Energy: 2.399806818075461
Energy: 2.629380512350173
Energy: 2.556146390012136
Energy: 2.190849489775284
Energy: 2.321827983844837
Energy: 2.698038209146214
Energy: 2.320033574341754
Energy: 2.1908494897764954
Energy: 2.3218279838454428
Energy: 2.69803820914682
Energy: 2.399728176596865
Energy: 2.4382574420491347
Energy: 2.5495080825798104
Energy: 2.6432804361969584
Energy: 2.399728176598077
Energy: 2.438257442049741
Energy: 2.549508082578599
Energy: 2.376265231355933
Energy: 2.5083208527033993
Energy: 2.7197130840465613
Energy: 2.297610664166436
Energy: 2.376265231358356
Energy: 2.5083208527033993
Energy: 2.719713084045956
Energy: 2.5744952915981796
Energy: 2.7833834577483225
Energy: 2.617427175331491
Energy: 2.5366836900218614
Energy: 2.574495291597574
Energy: 2.7833834577489283
Energy: 2.617427175331491
Energy: 2.487390687422088
Energy: 2.170396537826339
Energy: 2.9714547351667058
Energy: 2.4531326643110045
Energy: 2.487390687422088
Energy: 2.1703965378269445
Energy: 2.9714547351576193
Energy: 2.5294611361838633
Energy: 2.8421658484355046
Energy: 2.572143384326088
Energy: 2.576558794539366
Energy: 2.5294611362026433
Energy: 2.8421658484355046
Energy: 2.5721433843266936

minimum gb energy = 2.170396537826339 eV
minimum distance =  2.261411692929 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 2.602987814160747
Energy: 2.6220273111554633
Energy: 2.640179000159252
Energy: 2.6217970192160673
Energy: 2.6029878141573657
Energy: 2.6220273111554633
Energy: 2.584313269492237
Energy: 2.4582243593964814
Energy: 2.6248867281170862
Energy: 2.4243392379802926
Energy: 2.7098537502608826
Energy: 2.4582243593998623
Energy: 2.6248867281137054
Energy: 2.424339237983674
Energy: 2.5558055392902417
Energy: 2.6280426274533206
Energy: 2.442400200748462
Energy: 2.611588791390998
Energy: 2.5558055392868604
Energy: 2.6280426274533206
Energy: 2.442400200748462
Energy: 2.289118418219675
Energy: 2.48031452967652
Energy: 2.5236165393062038
Energy: 2.5641797702233573
Energy: 2.289118418223056
Energy: 2.48031452967652
Energy: 2.5236165393062038
Energy: 2.3790511959524725
Energy: 2.4740750568565626
Energy: 2.3165397165664587
Energy: 2.5273284749464087
Energy: 2.3790511959423912
Energy: 2.4740750568565626
Energy: 2.3165397165664587
Energy: 2.3019400681033986
Energy: 2.4241310205670135
Energy: 2.6902900868144446
Energy: 2.4723694562164353
Energy: 2.3019400680932556
Energy: 2.4241310205703943
Energy: 2.6902900868110633
Energy: 2.4464112954528945
Energy: 2.4963275873090374
Energy: 2.433372060789373
Energy: 2.5395165180740222
Energy: 2.446411295456275
Energy: 2.4963275873157995
Energy: 2.433372060792692
Energy: 2.278956775692019
Energy: 2.5316652055196958
Energy: 2.537516201020008
Energy: 2.574082635184579
Energy: 2.278956775681876
Energy: 2.531665205523077
Energy: 2.537516201020008
Energy: 2.3803814162272876
Energy: 2.3965095076870115
Energy: 2.6146022309360024
Energy: 2.47602878266668
Energy: 2.3803814162272876
Energy: 2.3965095076836307
Energy: 2.5943910730127255
Energy: 2.38243444403121
Energy: 2.4966247098720062
Energy: 2.558478786777864
Energy: 2.5618968483421423
Energy: 2.38243444403121
Energy: 2.4966247098787684
Energy: 2.5584787867812446
Energy: 2.4214341947653546
Energy: 2.498258609507903
Energy: 2.467024997375761
Energy: 2.4257797395857414
Energy: 2.421434194789022
Energy: 2.498258609507903
Energy: 2.5169761827112525
Energy: 2.291193203908607
Energy: 2.4931850186220643
Energy: 2.7147576405463805
Energy: 2.4391339992608154
Energy: 2.291193203905226
Energy: 2.4931850186288265
Energy: 2.714757640542999
Energy: 2.5298829321500107
Energy: 2.62005932421814
Energy: 2.4390114800000866
Energy: 2.4564414641664194
Energy: 2.52988293214663
Energy: 2.62005932421814
Energy: 2.439011480003468
Energy: 2.450367617531757
Energy: 2.7127950473736395
Energy: 2.743833332776992
Energy: 2.5297149474654557
Energy: 2.4503676175283755
Energy: 2.7127950473702582
Energy: 2.743833332773611
Energy: 2.5066331514083986
Energy: 2.5725909773714193
Energy: 2.6832069152870175
Energy: 2.587617852459453
Energy: 2.5066331514050177
Energy: 2.5725909773714193
Energy: 2.683206915290399
Energy: 2.5442473732666855
Energy: 2.477202923941332
Energy: 2.487374613391528
Energy: 2.526151993627541
Energy: 2.5442473732633037
Energy: 2.4772029239379507
Energy: 2.487374613391528
Energy: 2.5475847527749513
Energy: 2.493549410518647
Energy: 2.6302073376614445
Energy: 2.3853515060857413
Energy: 2.5475847527749513
Energy: 2.493549410518647
Energy: 2.5794416898188532
Energy: 2.301989022921166
Energy: 2.413276656099122
Energy: 2.5435822683832052
Energy: 2.4941962482503133
Energy: 2.301989022924547
Energy: 2.413276656099122
Energy: 2.543582268386586
Energy: 2.5510424029873
Energy: 2.6342314361279273
Energy: 2.452380081335909
Energy: 2.49967345905091
Energy: 2.5510424029636942
Energy: 2.634231436131247
Energy: 2.452380081335909
Energy: 2.2677741087974805
Energy: 2.440224366965445
Energy: 2.713898667228443
Energy: 2.3350364161852983
Energy: 2.2677741087940997
Energy: 2.440224366965445
Energy: 2.7138986672318235
Energy: 2.450455572869328
Energy: 2.4820416085523367
Energy: 2.4006407990303753
Energy: 2.556759832417902
Energy: 2.450455572869328
Energy: 2.4820416085523367
Energy: 2.4501789755840413
Energy: 2.199511239368309
Energy: 2.480301935630997
Energy: 2.5676093177985058
Energy: 2.5427544923083323
Energy: 2.1995112393716902
Energy: 2.480301935630997
Energy: 2.5676093177951245
Energy: 2.589539876403332
Energy: 2.4158305845217014
Energy: 2.6102007716553532
Energy: 2.43975494006101
Energy: 2.589539876410094
Energy: 2.4158305845284636
Energy: 2.655501312554582
Energy: 2.3596528301837485
Energy: 2.466711964379792
Energy: 2.537430856014654
Energy: 2.550293206223755
Energy: 2.3596528301837485
Energy: 2.466711964383173
Energy: 2.5374308560112726
Energy: 2.569417917778619
Energy: 2.4411384793859288
Energy: 2.462730852687088
Energy: 2.6236323280635023
Energy: 2.569417917775238
Energy: 2.4411384793859288
Energy: 2.462730852687088
Energy: 2.4687533398945583
Energy: 2.565474604854972
Energy: 2.6600794230625326
Energy: 2.7158352481545895
Energy: 2.468753339891177
Energy: 2.565474604854972
Energy: 2.6600794230625326
Energy: 2.72548484317352
Energy: 2.634990969482476
Energy: 2.40380813504274
Energy: 2.672740786172135
Energy: 2.725484843166758
Energy: 2.6349909694790945
Energy: 2.4268335835927095
Energy: 2.4607764682045534
Energy: 2.6085864930909204
Energy: 2.80516368067513
Energy: 2.6534758359970048
Energy: 2.4607764682079343
Energy: 2.6085864930841587
Energy: 2.8051636806717486
Energy: 2.682027043719798
Energy: 2.5645196523904925
Energy: 2.5242883696693768
Energy: 2.7376694795972742
Energy: 2.6820270437231786
Energy: 2.5645196523904925
Energy: 2.5104602092266486
Energy: 2.4659511954908093
Energy: 2.597758042389912
Energy: 2.647259436005627
Energy: 2.601058315545637
Energy: 2.4659511954908093
Energy: 2.597758042389912
Energy: 2.647259436002246
Energy: 2.533694178242914
Energy: 2.469873641408896
Energy: 2.613167878317253
Energy: 2.586262510256489
Energy: 2.533694178242914
Energy: 2.469873641419039
Energy: 2.613167878320634
Energy: 2.405591990913911
Energy: 2.4423616758342823
Energy: 2.5239777238662535
Energy: 2.595240136917643
Energy: 2.405591990913911
Energy: 2.442361675830901
Energy: 2.5239777238662535
Energy: 2.518798543492251
Energy: 2.399133724074809
Energy: 2.581111825662557
Energy: 2.5994726555905086
Energy: 2.518798543492251
Energy: 2.399133724074809
Energy: 2.5811118256659378
Energy: 2.3162251389839943
Energy: 2.4224344866891103
Energy: 2.6681275503366226
Energy: 2.4934491964909373
Energy: 2.3162251389839943
Energy: 2.4224344866857295
Energy: 2.6681275503366226
Energy: 2.5015849343961
Energy: 2.4685535404599057
Energy: 2.5136142534286243
Energy: 2.513901385406324
Energy: 2.5015849343994807
Energy: 2.4685535404531436
Energy: 2.513614253432005
Energy: 2.320675130112882
Energy: 2.4205748349569274
Energy: 2.693110854845483
Energy: 2.5176851124955597
Energy: 2.320675130112882
Energy: 2.4205748349569274
Energy: 2.693110854848864
Energy: 2.483800347667896
Energy: 2.464737454979457
Energy: 2.459914247422979
Energy: 2.52324051028442
Energy: 2.483800347661134
Energy: 2.4647374549760754
Energy: 2.459914247419598
Energy: 2.3832928318255617
Energy: 2.5200456256748347
Energy: 2.5647314115731614
Energy: 2.4868065013769205
Energy: 2.3832928318187996
Energy: 2.5200456256714534
Energy: 2.564731411579923
Energy: 2.4536887918541748
Energy: 2.4296301190480554
Energy: 2.6810129955387003
Energy: 2.5087142403287594
Energy: 2.4536887918507935
Energy: 2.429630119044674
Energy: 2.6810129955387003
Energy: 2.551271622127973
Energy: 2.5800694506254196
Energy: 2.5483462629864757
Energy: 2.5852054375031743
Energy: 2.551271622127973
Energy: 2.5800694506254196
Energy: 2.548346262983095
Energy: 2.5005596014567186
Energy: 2.565080727385465
Energy: 2.6637678605293065
Energy: 2.536881317402281
Energy: 2.5005596014567186
Energy: 2.565080727382084
Energy: 2.6637678605293065
Energy: 2.5976516034348673
Energy: 2.558904335612466
Energy: 2.779196665334155
Energy: 2.5048837042095244
Energy: 2.5976516034281056
Energy: 2.558904335612466
Energy: 2.779196665340917
Energy: 2.575815373922907
Energy: 2.4958137053626555
Energy: 2.462882060765383
Energy: 2.6580878532252123
Energy: 2.5758153739262877
Energy: 2.4958137053660363
Energy: 2.462882060765383
Energy: 2.518802642864605
Energy: 2.5227903427283773
Energy: 2.7286274192157585
Energy: 2.363354421016262
Energy: 2.518802642864605
Energy: 2.5227903427249965
Energy: 2.7286274192157585
Energy: 2.3626295457813162
Energy: 2.396646202681644
Energy: 2.491865503990955
Energy: 2.5054476973335547
Energy: 2.3626295457880784
Energy: 2.396646202681644
Energy: 2.4918655039943363

minimum gb energy = 2.199511239368309 eV
minimum distance =  2.29846661269656 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 2.874083768027186
Energy: 2.208858627178425
Energy: 2.4683355344886198
Energy: 2.2088586271791875
Energy: 2.874083768024899
Energy: 2.2088586271791875
Energy: 2.8658417289281686
Energy: 2.874083768026424
Energy: 2.2088586271791875
Energy: 2.356906470494834
Energy: 2.208858627178425
Energy: 2.874083768024899
Energy: 2.2088586271776625
Energy: 2.315186389259938
Energy: 2.8740837680256615
Energy: 2.2088586271776625
Energy: 2.563650821666656
Energy: 2.208858627178425
Energy: 2.874083768026424
Energy: 2.2088586271791875
Energy: 2.5962587078127055
Energy: 2.874083768027186
Energy: 2.208858627178425
Energy: 2.35690647049331
Energy: 2.2088586271791875
Energy: 2.874083768024899
Energy: 2.2088586271791875
Energy: 2.7615472830602035
Energy: 2.874083768026424
Energy: 2.2088586271791875
Energy: 2.403694312015353
Energy: 2.208858627178425
Energy: 2.874083768024899
Energy: 2.208858627178425
Energy: 2.5064865618717924
Energy: 2.8740837680256615
Energy: 2.2088586271776625
Energy: 2.5666372972279463
Energy: 2.208858627178425
Energy: 2.8740837680256615
Energy: 2.2088586271791875
Energy: 2.4851811141763305
Energy: 2.874083768027186
Energy: 2.2088586271776625
Energy: 2.3644755522019
Energy: 2.2088586271791875
Energy: 2.874083768024899
Energy: 2.2088586271791875
Energy: 2.6349673459492022
Energy: 2.874083768026424
Energy: 2.208858627178425
Energy: 2.414800819194964
Energy: 2.2088586271776625
Energy: 2.874083768024899
Energy: 2.2088586271776625
Energy: 2.386811731604391
Energy: 2.8740837680256615
Energy: 2.2088586271776625
Energy: 2.691018890034751
Energy: 2.208858627178425
Energy: 2.8740837680256615
Energy: 2.2088586271799495
Energy: 2.4626940307530014
Energy: 2.874083768027186
Energy: 2.208858627178425
Energy: 2.406086306013877
Energy: 2.2088586271791875
Energy: 2.874083768024899
Energy: 2.2088586271791875
Energy: 2.5144710837750077
Energy: 2.874083768026424
Energy: 2.2088586271791875
Energy: 2.5703985877169626
Energy: 2.208858627178425
Energy: 2.874083768024899
Energy: 2.2088586271776625
Energy: 2.401848435281106
Energy: 2.8740837680256615
Energy: 2.2088586271776625
Energy: 2.7101880995446086
Energy: 2.208858627178425
Energy: 2.8740837680256615
Energy: 2.2088586271799495
Energy: 2.4626940307530014
Energy: 2.874083768027186
Energy: 2.208858627178425
Energy: 2.4851811141184306
Energy: 2.2088586271791875
Energy: 2.874083768024899
Energy: 2.2088586271791875
Energy: 2.462694030753764
Energy: 2.874083768026424
Energy: 2.2088586271791875
Energy: 2.462694030754526
Energy: 2.2088586271776625
Energy: 2.874083768024899
Energy: 2.2088586271776625
Energy: 2.462694030754526
Energy: 2.8740837680256615
Energy: 2.2088586271776625
Energy: 2.7101880995446086
Energy: 2.2088586271776625
Energy: 2.8740837680256615
Energy: 2.2088586271791875
Energy: 2.4851811141435864
Energy: 2.874083768026424
Energy: 2.2088586271791875
Energy: 2.6213949889391737
Energy: 2.208858627178425
Energy: 2.874083768024899
Energy: 2.2088586271791875
Energy: 2.462694030754526
Energy: 2.874083768026424
Energy: 2.2088586271791875
Energy: 2.4851811142342304
Energy: 2.2088586271776625
Energy: 2.874083768024899
Energy: 2.208858627178425
Energy: 2.462694030753764
Energy: 2.8740837680256615
Energy: 2.208858627178425
Energy: 2.7101880995446086
Energy: 2.208858627178425
Energy: 2.8740837680256615
Energy: 2.2088586271799495
Energy: 2.596258707813467
Energy: 2.874083768027186
Energy: 2.208858627178425
Energy: 2.653004021227908
Energy: 2.208858627178425
Energy: 2.874083768024899
Energy: 2.2088586271791875
Energy: 2.462694030753764
Energy: 2.874083768026424
Energy: 2.208858627178425
Energy: 2.5962587078127055
Energy: 2.2088586271776625
Energy: 2.874083768024899
Energy: 2.2088586271776625
Energy: 2.462694030754526

minimum gb energy = 2.2088586271776625 eV
minimum distance =  2.25981981132121 Angstroms
sigma value = 23