Model name: model_name=EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.633016772568226
cohesive_energy=4.280573320677608
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.485507733688754e-19, 2.2546150028974797e-19, 2.9193260448114e-19, 3.4856954849304003e-19, 3.9552293692904397e-19, 4.35665472493914e-19, 4.7225758463784e-19, 5.077025383118219e-19, 5.406785377928099e-19, 5.67880292684862e-19, 5.8841539060284e-19, 6.04275337102806e-19, 6.178794189021e-19, 6.30470925068706e-19, 6.42173223203442e-19, 6.526578670963379e-19, 6.61622045363568e-19, 6.689504012874839e-19, 6.746974088736419e-19, 6.7901847925554e-19, 6.821106801591599e-19, 6.841742836637519e-19, 6.85375916139252e-19, 6.85770051591216e-19, 6.8533746390003595e-19, 6.8391312887241e-19, 6.812535156599699e-19, 6.77026973699478e-19, 6.708521849520419e-19, 6.6227573343024e-19, 6.50714426839296e-19, 6.35434468280838e-19, 6.1554825189963e-19, 5.900175672368399e-19, 5.57655201406674e-19, 5.171329499795459e-19, 4.66928745153156e-19, 4.05208094681574e-19, 3.2956933579043396e-19, 2.36628671428728e-19, 1.212211647814302e-19, -2.5223547402052197e-20, -2.1607274521450798e-19, -4.6747188303208195e-19, -7.960975367850899e-19, -1.2255577791755218e-18, -1.79471020010778e-18, -2.56719966419088e-18, -3.64995063344808e-18, -5.233429866129299e-18]
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: 0.016346707582501254
Energy: 0.017431959665180415
Energy: 1.1919669065298668
Energy: 0.16567950271963072
Energy: 0.017431959665180415
Energy: 1.5509325332806052
Energy: 0.16567950271904425
Energy: 1.5509325332745332
Energy: 1.1919669065280385
Energy: 0.16567950271963072
Energy: 0.016346707582501254
Energy: 0.017431959665180415
Energy: 0.16567950271963072
Energy: 1.5509325332806052
Energy: 0.01743195966335188
Energy: 1.5509325332812263

minimum gb energy = 0.016346707582501254 eV
minimum distance =  2.50056480964108 Angstroms
sigma value = 1


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

Energy: 2.2422785399421805
Energy: 1.3387722569023945
Energy: 1.4201086845681568
Energy: 1.4184124094800603
Energy: 1.4652064426648241
Energy: 1.4758857002943575
Energy: 1.401442886883433
Energy: 1.4758857002951107
Energy: 1.4228611455886562
Energy: 1.4169703011779782
Energy: 1.4042929115378884
Energy: 1.4169703011787314
Energy: 1.4821551253909446
Energy: 1.40183783724263
Energy: 1.4010935895273793
Energy: 1.401837837244136
Energy: 1.5178736297886097
Energy: 1.4883349110804258
Energy: 1.402964296060408
Energy: 1.4883349110804258
Energy: 1.4826515132643179
Energy: 1.5964988804545377
Energy: 1.4266707873171611
Energy: 1.5964988804560438
Energy: 1.5044433522015717
Energy: 1.5706175203581298
Energy: 1.517009094846924
Energy: 1.5706175203588832
Energy: 1.500851573967379
Energy: 1.5707927184207573
Energy: 1.4980939866301268
Energy: 1.5707927184237698
Energy: 1.5235732395062682
Energy: 1.6583692490759154
Energy: 1.516142687765101
Energy: 1.658369249075162
Energy: 1.5099776323633036
Energy: 1.5948486108184698
Energy: 1.5244031304026824
Energy: 1.5948486108177167
Energy: 1.5080155790156748
Energy: 1.6593237636696538
Energy: 1.5172639463936823
Energy: 1.6593237636689009
Energy: 1.5163014459255413
Energy: 1.6597213574450653
Energy: 1.5021872688612852
Energy: 1.6597213574473246
Energy: 1.5057938036294847
Energy: 1.5707282239238871
Energy: 1.5067593549858267
Energy: 1.5707282239246405
Energy: 1.4800718622519244
Energy: 1.573914886569909
Energy: 1.4897984028371112
Energy: 1.5739148866022947
Energy: 1.5072242050835247
Energy: 1.401226277930508
Energy: 1.4002280023784086
Energy: 1.401226277929755
Energy: 1.410492357686353
Energy: 1.4028839900014867
Energy: 1.4034180436409431
Energy: 1.4028839899999803
Energy: 1.4180614088957537
Energy: 1.4152183171766948
Energy: 1.3382651952912021
Energy: 1.4152183171797073
Energy: 1.4009213886263692
Energy: 1.4030891190866217
Energy: 1.4645508396412599
Energy: 1.4030891190858685
Energy: 1.4286919995994694
Energy: 1.4168870358799484
Energy: 1.4194638725714712
Energy: 1.4168870358807013
Energy: 1.4822193704385707
Energy: 1.4052308010883614
Energy: 1.4027409180424384
Energy: 1.4052308010966459
Energy: 1.4014299457076467
Energy: 1.4064751400266604
Energy: 1.5179173876243337
Energy: 1.4064751400266604
Energy: 1.4011972937719706
Energy: 1.4018686101751048
Energy: 1.4822774689390117
Energy: 1.401868610175858
Energy: 1.5157346931542703
Energy: 1.5722019237573956
Energy: 1.5007345145077342
Energy: 1.5722019237558895
Energy: 1.4980622786167463
Energy: 1.5698320709583762
Energy: 1.5008980791721074
Energy: 1.5698320709546103
Energy: 1.5181241986428253
Energy: 1.6587203100617869
Energy: 1.5241688943156593
Energy: 1.6587203100602808
Energy: 1.5171603073905486
Energy: 1.6554642892181277
Energy: 1.5110848711759148
Energy: 1.655464289218881
Energy: 1.5243110906807662
Energy: 1.658729906171179
Energy: 1.508254007777819
Energy: 1.6587299061726855
Energy: 1.498746967554214
Energy: 1.6604150728452745
Energy: 1.5164311998911337
Energy: 1.6604150728467808
Energy: 1.5065167358694342
Energy: 1.5705974490455752
Energy: 1.5691553356845707
Energy: 1.5705974490448222
Energy: 1.4901579925038866
Energy: 1.5727890104879492
Energy: 1.4835805525670438
Energy: 1.5727890104879492
Energy: 1.3990601229053738
Energy: 1.4008566550722479
Energy: 1.5096496492665528
Energy: 1.4008566550737542
Energy: 1.4026512716439583
Energy: 1.402770821585645
Energy: 1.410697631711431
Energy: 1.402770821585645
Energy: 1.3372734375640443
Energy: 1.4144150325911509
Energy: 1.4181965069870812
Energy: 1.4144150325896445

minimum gb energy = 1.3372734375640443 eV
minimum distance =  2.30840789267798 Angstroms
sigma value = 1


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

Energy: 2.5149220268960026
Energy: 1.4172126864507482
Energy: 1.5099778675576832
Energy: 1.5081229006694485
Energy: 1.5674929586466493
Energy: 1.5654658001341373
Energy: 1.4920021621930275
Energy: 1.565465800134996
Energy: 1.5072761575884728
Energy: 1.506783736657126
Energy: 1.4950829509814632
Energy: 1.506783736663137
Energy: 1.530618831131359
Energy: 1.4908245205494752
Energy: 1.4913879634222238
Energy: 1.4908245205460404
Energy: 1.4917419548432493
Energy: 1.5875518377709565
Energy: 1.4921746996995644
Energy: 1.5875518377709565
Energy: 1.584344950389893
Energy: 1.4914374032673943
Energy: 1.491734647973275
Energy: 1.4914374032673943
Energy: 1.6019906663099077
Energy: 1.686370949723495
Energy: 1.6012393976667099
Energy: 1.6863709497252128
Energy: 1.603813556651144
Energy: 1.6857914764152453
Energy: 1.5954635720608898
Energy: 1.6857914764152453
Energy: 1.6139859758928814
Energy: 1.7701516704979243
Energy: 1.6171288003469073
Energy: 1.7701516704979243
Energy: 1.5967521694383362
Energy: 1.7725374948227837
Energy: 1.6175065019953725
Energy: 1.7725374948262185
Energy: 1.6046879018571347
Energy: 1.68623501477364
Energy: 1.6101644601946903
Energy: 1.68623501477364
Energy: 1.590338286039431
Energy: 1.6881369270934206
Energy: 1.582590658999249
Energy: 1.6881369270908444
Energy: 1.4909274948663624
Energy: 1.4911737680134354
Energy: 1.60613116359841
Energy: 1.4911737680160115
Energy: 1.4926823331278336
Energy: 1.4913371359459626
Energy: 1.497378184405703
Energy: 1.4913371359468215
Energy: 1.410453717224059
Energy: 1.5023147074298022
Energy: 1.5064030488140259
Energy: 1.5023147074323784
Energy: 1.5678467945563501
Energy: 1.4928663940596074
Energy: 1.490655851638217
Energy: 1.4928663940621836
Energy: 1.509324595738597
Energy: 1.5049255153627046
Energy: 1.518572987749377
Energy: 1.5049255153592698
Energy: 1.4933868454936456
Energy: 1.4924774832476664
Energy: 1.5842890995731902
Energy: 1.4924774832485252
Energy: 1.5169693194877423
Energy: 1.5890224038943583
Energy: 1.491440055794906
Energy: 1.5890224038969345
Energy: 1.5831910326638559
Energy: 1.4919115720240814
Energy: 1.491116811898311
Energy: 1.4919115720300924
Energy: 1.6025667138143418
Energy: 1.760214790233336
Energy: 1.6009826327889998
Energy: 1.760214790232516
Energy: 1.601742214436183
Energy: 1.6853387666845532
Energy: 1.595646287120028
Energy: 1.685338766686271
Energy: 1.614490127508642
Energy: 1.7738872637461551
Energy: 1.6169267485625884
Energy: 1.7738872637444376
Energy: 1.5962268677455635
Energy: 1.7701562748968338
Energy: 1.6143658348878802
Energy: 1.7701562748942576
Energy: 1.6041660428132107
Energy: 1.685373430721418
Energy: 1.6954035990244591
Energy: 1.6853734307205595
Energy: 1.5901340455734116
Energy: 1.6868123500622618
Energy: 1.5825272735560858
Energy: 1.6868123500596857
Energy: 1.4894842300272741
Energy: 1.490710755078889
Energy: 1.5913372029126271
Energy: 1.490710755075454
Energy: 1.491911110271765
Energy: 1.4910470485187075
Energy: 1.4982611737112705
Energy: 1.4910470485187075
Energy: 1.4103946868668102
Energy: 1.5018134777088326
Energy: 1.5035240709919349
Energy: 1.5018134777045387

minimum gb energy = 1.4103946868668102 eV
minimum distance =  2.30987050639103 Angstroms
sigma value = 25


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

Energy: 2.4140395865219046
Energy: 1.5050003923269206
Energy: 1.6110022340210874
Energy: 1.610156237015313
Energy: 1.6911351491654487
Energy: 1.6653859320996751
Energy: 1.6478006635827385
Energy: 1.6653859321006734
Energy: 1.6070343694688203
Energy: 1.6067973846000692
Energy: 1.5985907879164625
Energy: 1.6067973845990708
Energy: 1.5974730591159112
Energy: 1.595615017281742
Energy: 1.6476076965519006
Energy: 1.595615017281742
Energy: 1.596794556220861
Energy: 1.7035459028218791
Energy: 1.59659057644107
Energy: 1.7035459028208808
Energy: 1.7361150657101136
Energy: 1.5970814094061156
Energy: 1.596965300268188
Energy: 1.5970814094041192
Energy: 1.59799177872496
Energy: 1.8271142746221631
Energy: 1.7213055075097232
Energy: 1.8271142746231612
Energy: 1.7223445952712035
Energy: 1.8257449031455883
Energy: 1.697527119967399
Energy: 1.8257449031445903
Energy: 1.736763153252972
Energy: 1.8278357467279644
Energy: 1.6913690986008814
Energy: 1.8278357467289625
Energy: 1.7360574429716709
Energy: 1.82740684752653
Energy: 1.6945587179932022
Energy: 1.8274068475255316
Energy: 1.4931361906085898
Energy: 1.5956078315057647
Energy: 1.5969830100174431
Energy: 1.5956078315057647
Energy: 1.5969980468642913
Energy: 1.59654191910762
Energy: 1.6480824563913108
Energy: 1.596541919106622
Energy: 1.6079271737371064
Energy: 1.6011162060272002
Energy: 1.4943823028517778
Energy: 1.6011162060272002
Energy: 1.6478109201023847
Energy: 1.5982731287436083
Energy: 1.6912084269822263
Energy: 1.5982731287436083
Energy: 1.598641835810907
Energy: 1.607537797141691
Energy: 1.6134454639519589
Energy: 1.6075377971406928
Energy: 1.7363879075399213
Energy: 1.5970655541003071
Energy: 1.5969288186203823
Energy: 1.5970655540993088
Energy: 1.5977261880272966
Energy: 1.704993805137103
Energy: 1.5961806849993518
Energy: 1.704993805137103
Energy: 1.5974348494345878
Energy: 1.600307267028248
Energy: 1.7055394534774746
Energy: 1.600307267028248
Energy: 1.7213324826020484
Energy: 1.8973381268916958
Energy: 1.598339459313619
Energy: 1.8973381268916958
Energy: 1.697690774135726
Energy: 1.8291511454884302
Energy: 1.7036459250534466
Energy: 1.8291511454894285
Energy: 1.6946824441648611
Energy: 1.8263690899398362
Energy: 1.7228256970159996
Energy: 1.8263690899388378
Energy: 1.6044288988176767
Energy: 1.82721264473426
Energy: 1.737430395599128
Energy: 1.8272126447332617
Energy: 1.595009622118688
Energy: 1.595131187763789
Energy: 1.494736160595361
Energy: 1.5951311877627907
Energy: 1.597025823981781
Energy: 1.5953966499860575
Energy: 1.5971185228265987
Energy: 1.5953966499850591
Energy: 1.495825663300676
Energy: 1.6015357575057283
Energy: 1.601926555238749
Energy: 1.6015357575057283

minimum gb energy = 1.4931361906085898 eV
minimum distance =  2.3127149254539 Angstroms
sigma value = 9


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

Energy: 2.257215357990688
Energy: 1.6015726729651636
Energy: 1.7269846701271352
Energy: 1.7265306584813085
Energy: 1.8486009273118857
Energy: 1.7737540945047876
Energy: 1.7225039312679642
Energy: 1.7737540945047876
Energy: 1.724957847762141
Energy: 1.7244348203529245
Energy: 1.7347570260669232
Energy: 1.7244348203505429
Energy: 1.7206607973120218
Energy: 1.7734920594250714
Energy: 1.7223948517500647
Energy: 1.773492059421499
Energy: 1.7504724988394713
Energy: 1.84011294066024
Energy: 1.7202600378241144
Energy: 1.8401129406626218
Energy: 1.8575951004791067
Energy: 1.7213774923823921
Energy: 1.735900461050681
Energy: 1.721377492383583
Energy: 1.8419067172949108
Energy: 1.9727209216858304
Energy: 1.752421233693956
Energy: 1.972720921702502
Energy: 1.8263589600440113
Energy: 1.9855995383506402
Energy: 1.8569505694438442
Energy: 1.9855995383518308
Energy: 1.719318845842201
Energy: 1.7200571419555597
Energy: 1.582588224162675
Energy: 1.7200571419567507
Energy: 1.7205153904145316
Energy: 1.7199067190624806
Energy: 1.5821979601378537
Energy: 1.7199067190636719
Energy: 1.5848423570637693
Energy: 1.710839725499253
Energy: 1.7109080299563966
Energy: 1.710839725498062
Energy: 1.8525334877082145
Energy: 1.7179665179187764
Energy: 1.7212974724558445
Energy: 1.7179665179175856
Energy: 1.7319164386466268
Energy: 1.7100563167451477
Energy: 1.73047295642191
Energy: 1.7100563167463387
Energy: 1.7116589461587686
Energy: 1.7179999518504492
Energy: 1.8192207107782794
Energy: 1.7179999518504492
Energy: 1.7450717508321647
Energy: 1.8411173306092747
Energy: 1.7221206095257975
Energy: 1.8411173306057023
Energy: 1.857610722780551
Energy: 1.840896210598087
Energy: 1.721602635581915
Energy: 1.8408962105968965
Energy: 1.8414741013065896
Energy: 2.0491253177896787
Energy: 1.7361288110553714
Energy: 2.049125317788488
Energy: 1.841490768435341
Energy: 1.9710456480556255
Energy: 1.856811359571564
Energy: 1.9710456480544347
Energy: 1.717327786364477
Energy: 1.7194138304528512
Energy: 1.5833293035596352
Energy: 1.7194138304540418
Energy: 1.736274436060392
Energy: 1.7196239634889499
Energy: 1.5829696845455665
Energy: 1.7196239634889499
Energy: 1.5845471117698404
Energy: 1.7491591243382536
Energy: 1.71017747970589
Energy: 1.7491591243382536

minimum gb energy = 1.5821979601378537 eV
minimum distance =  2.27954963108309 Angstroms
sigma value = 25


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

Energy: 2.0154953720200504
Energy: 1.697124271821189
Energy: 1.8635949239537957
Energy: 1.8631317625093262
Energy: 1.8427437799879411
Energy: 1.8206199524637625
Energy: 1.728535376170035
Energy: 1.8206199524622897
Energy: 1.8624551680536796
Energy: 1.8619519946818295
Energy: 1.8398861735624237
Energy: 1.8619519946833019
Energy: 1.8386051853717897
Energy: 1.8206078974264255
Energy: 1.7291893697301859
Energy: 1.8206078974264255
Energy: 1.8478996660324207
Energy: 1.9876941103190413
Energy: 1.7293501284124813
Energy: 1.9876941103190413
Energy: 1.683561068271326
Energy: 1.9636531126591978
Energy: 1.7273061880469553
Energy: 1.9636531126591978
Energy: 1.6752075781200142
Energy: 1.964379577615757
Energy: 1.8345280016076022
Energy: 1.9643795776142845
Energy: 1.6753047078598762
Energy: 1.8211075408530686
Energy: 1.7295386834034936
Energy: 1.8211075408486839
Energy: 1.8372189966584784
Energy: 1.8373628409500213
Energy: 1.9901496032782262
Energy: 1.8373628409500213
Energy: 1.8592835514086214
Energy: 1.8376506796657808
Energy: 1.8440616408748056
Energy: 1.8376506796672536
Energy: 1.8381876120602165
Energy: 1.83871566442532
Energy: 1.8580734895097877
Energy: 1.8387156644238474
Energy: 1.8395500805575375
Energy: 1.6837925065184531
Energy: 1.837577227343513
Energy: 1.6837925065199255
Energy: 1.7279136911174084
Energy: 1.9885937372200266
Energy: 1.8481177444598236
Energy: 1.9885937372200266
Energy: 1.7292828662223876
Energy: 1.96375922248809
Energy: 1.6852619916337321
Energy: 1.96375922248809
Energy: 1.8503458477264174
Energy: 1.9695809181790898
Energy: 1.6749346913486176
Energy: 1.9695809181790898
Energy: 1.7284895947321033
Energy: 1.9641609274580583
Energy: 1.6751862435216522
Energy: 1.9641609274580583
Energy: 1.9833732525816588
Energy: 1.8368566157836865
Energy: 1.8363507842033104
Energy: 1.8368566157836865

minimum gb energy = 1.6749346913486176 eV
minimum distance =  2.32100303642109 Angstroms
sigma value = 17


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

Energy: 2.2504762177560327
Energy: 1.9076245841509034
Energy: 2.0290946112782304
Energy: 2.0294029313404316
Energy: 1.855417729483038
Energy: 1.7990943981867284
Energy: 2.043344479835668
Energy: 1.799094398189231
Energy: 1.8000457639885197
Energy: 1.801844422873604
Energy: 1.998304987968206
Energy: 1.801844422874438
Energy: 1.799859882691102
Energy: 1.917624390234983
Energy: 1.7988254171704132
Energy: 1.9176243902424894
Energy: 1.914030573129474
Energy: 2.0066869443361544
Energy: 1.9040400249841973
Energy: 2.00668694433532
Energy: 1.7991505030287933
Energy: 2.0073956946242912
Energy: 1.8001099843126733
Energy: 2.0073956946234572
Energy: 1.8822815288289763
Energy: 1.7983892500667789
Energy: 1.8015527558674895
Energy: 1.7983892500676129
Energy: 2.102586010711572
Energy: 1.7981198740620463
Energy: 1.8462608716995876
Energy: 1.7981198740628803
Energy: 2.0435038433363673
Energy: 1.9951966007811641
Energy: 2.0106622529226277
Energy: 1.9951966007811641
Energy: 1.9950392979175358
Energy: 1.9947915731771364
Energy: 2.0437446090483413
Energy: 1.994791573175468
Energy: 1.9306160950718247
Energy: 1.820187253025336
Energy: 1.74708815580162
Energy: 1.82018725302617
Energy: 1.998606759849064
Energy: 1.8153598053837554
Energy: 1.8119242990514877
Energy: 1.8153598053837554
Energy: 1.8826689821702591
Energy: 1.8135681341445742
Energy: 1.812053808270866
Energy: 1.8135681341454082
Energy: 1.8817607378404706
Energy: 1.8149144010003848
Energy: 1.7482370673344996
Energy: 1.8149144010012188
Energy: 1.9946268782267331
Energy: 1.9937881807803206
Energy: 2.1070727677083916
Energy: 1.9937881807786524
Energy: 2.0433807504115666
Energy: 1.993792095993655
Energy: 2.107122873063855
Energy: 1.993792095992821
Energy: 1.9952649464312473
Energy: 1.7987242700144452
Energy: 1.8474413374449463
Energy: 1.7987242700144452
Energy: 1.9962443647128731
Energy: 1.7985627438778624
Energy: 1.79730302386728
Energy: 1.7985627438778624
Energy: 1.7994794001659373
Energy: 2.006112477461067
Energy: 1.915921434781292
Energy: 2.006112477461067
Energy: 1.908192676328732
Energy: 2.008785516156416
Energy: 1.8000646289711761
Energy: 2.008785516155582
Energy: 1.7985336989910843
Energy: 1.79950386062948
Energy: 2.1246352792544774
Energy: 1.79950386062948
Energy: 1.7995078484045264
Energy: 1.8211358510468594
Energy: 1.8826057137336876
Energy: 1.8211358510476936
Energy: 1.9179116611367544
Energy: 1.9954756798508744
Energy: 2.043542172489303
Energy: 1.9954756798517086
Energy: 2.0083637706028954
Energy: 1.9960409215072652
Energy: 1.9998152220464636
Energy: 1.9960409215072652
Energy: 1.7484657045908951
Energy: 1.815182577180869
Energy: 1.994993210775443
Energy: 1.815182577181703
Energy: 1.812411026786154
Energy: 1.815253210539835
Energy: 1.912675091974736
Energy: 1.815253210539001
Energy: 1.7465896577327764
Energy: 1.8171298454490632
Energy: 1.8851377887982006
Energy: 1.8171298454482292
Energy: 1.8126748232403191
Energy: 1.8149918534791347
Energy: 1.88158924662113
Energy: 1.8149918534791347
Energy: 1.7481411062438617
Energy: 1.8152072908108356
Energy: 1.881924019229019
Energy: 1.8152072908108356
Energy: 2.1248832488602023
Energy: 1.9952693680900668
Energy: 1.9966592615728351
Energy: 1.9952693680900668

minimum gb energy = 1.7465896577327764 eV
minimum distance =  2.31463986248983 Angstroms
sigma value = 53


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

Energy: 2.5733899672827576
Energy: 1.682163314799623
Energy: 1.9328023296435217
Energy: 1.9335632649568328
Energy: 2.107668722354831
Energy: 1.7845152292695365
Energy: 1.8924982147800185
Energy: 1.7845152292714568
Energy: 1.8928831374341766
Energy: 1.893231454258446
Energy: 1.9204800603487606
Energy: 1.8932314542565256
Energy: 1.8937308849574825
Energy: 1.7836117081402656
Energy: 1.8907185173422523
Energy: 1.7836117081402656
Energy: 1.9246677959635006
Energy: 1.7820422336033257
Energy: 1.6527361998069188
Energy: 1.7820422336033257
Energy: 1.8905632773773853
Energy: 1.7848423427237377
Energy: 1.6533147339191574
Energy: 1.7848423427218176
Energy: 2.1080046131371013
Energy: 1.8918102926711255
Energy: 1.891922472908049
Energy: 1.8918102926711255
Energy: 2.107871659539474
Energy: 1.891067241946312
Energy: 1.8895030200497331
Energy: 1.8910672419482322
Energy: 1.8935862535881838
Energy: 1.89385352002392
Energy: 1.9257357008022302
Energy: 1.89385352002584
Energy: 1.8900594973295912
Energy: 1.891823291934161
Energy: 1.8932866614089574
Energy: 1.8918232919360813
Energy: 1.9243967491583478
Energy: 1.7863669846009171
Energy: 1.6533969603206657
Energy: 1.7863669846028372
Energy: 1.893347938903322
Energy: 1.7817646430089527
Energy: 1.6521768391807268
Energy: 1.7817646430070322
Energy: 2.107749639218505
Energy: 1.890802745843772
Energy: 1.8886712044238188
Energy: 1.890802745843772

minimum gb energy = 1.6521768391807268 eV
minimum distance =  2.33292234502109 Angstroms
sigma value = 9


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

Energy: 2.482645943762424
Energy: 1.94973957990648
Energy: 2.1248618863108972
Energy: 2.122294556316208
Energy: 1.904188134664916
Energy: 1.7831263168382385
Energy: 2.146776085891367
Energy: 1.7831263168396598
Energy: 1.7852624587852086
Energy: 1.7863853071346485
Energy: 2.1560036844822084
Energy: 1.786385307133938
Energy: 1.7885020195165189
Energy: 1.7853035869247966
Energy: 2.190006099114689
Energy: 1.785303586923375
Energy: 1.7870209887609332
Energy: 1.783207989942852
Energy: 2.208453820324405
Energy: 1.7832079899435627
Energy: 1.8143847891107254
Energy: 1.7837022575576529
Energy: 2.208713938120457
Energy: 1.7837022575569423
Energy: 2.1618515139707055
Energy: 2.061196429667503
Energy: 2.085254522755673
Energy: 2.061196429668214
Energy: 2.1007010519741094
Energy: 2.060095710644353
Energy: 2.061320823812347
Energy: 2.0600957106450637
Energy: 1.8473046674395674
Energy: 2.0530675541802856
Energy: 1.9517632098028235
Energy: 2.053067554180996
Energy: 1.806576173704081
Energy: 1.9592113449106097
Energy: 2.074055098712599
Energy: 1.9592113449027921
Energy: 1.8438577907023053
Energy: 1.8432462030960264
Energy: 2.0573027183099395
Energy: 1.8432462030960264
Energy: 1.845420483423208
Energy: 1.8458472456600175
Energy: 2.209746701730117
Energy: 1.8458472456600175
Energy: 2.1639675581579674
Energy: 1.8439611208041922
Energy: 1.8963882321779695
Energy: 1.8439611208056133
Energy: 2.2422800437258603
Energy: 1.845401891945697
Energy: 1.8472198848091739
Energy: 1.8454018919449864
Energy: 2.0596674133581216
Energy: 1.8954229764566386
Energy: 1.8983330037069441
Energy: 1.895422976455928
Energy: 2.0957093143830767
Energy: 2.0413997931961134
Energy: 1.8855726685741692
Energy: 2.0413997931946914
Energy: 2.067483536277959
Energy: 1.961637175902133
Energy: 1.848271920543728
Energy: 1.9616371759035542
Energy: 2.0602073869654474
Energy: 2.062492946376466
Energy: 2.2083422443914307
Energy: 2.062492946376466
Energy: 2.1523809222885024
Energy: 1.9595784232186595
Energy: 1.904871330618512
Energy: 1.9595784232186595
Energy: 2.17303829971673
Energy: 1.7874026884519858
Energy: 1.7858505361761643
Energy: 1.7874026884512753
Energy: 2.1914746392195283
Energy: 1.784359754694036
Energy: 1.7856076378667063
Energy: 1.7843597546954573
Energy: 2.2086638415131143
Energy: 1.7823692113857934
Energy: 1.7842775951999943
Energy: 1.7823692113850826
Energy: 2.20824014362744
Energy: 1.7845274353704406
Energy: 1.812416210618983
Energy: 1.784527435372508
Energy: 2.14371056398929
Energy: 2.0608124221480852
Energy: 2.161956613044921
Energy: 2.0608124221502178
Energy: 2.0620067667753013
Energy: 2.0615376997826225
Energy: 2.1020701388993066
Energy: 2.061537699783333
Energy: 1.9515606201051954
Energy: 2.041355979401101
Energy: 1.8458496395831805
Energy: 2.041355979398969
Energy: 2.076354898274017
Energy: 1.9590537693171983
Energy: 1.8055205845052906
Energy: 1.959053769315777
Energy: 2.053214181005039
Energy: 1.8444900341135697
Energy: 1.8446141994344862
Energy: 1.8444900341135697
Energy: 2.209163723757654
Energy: 1.979606327442945
Energy: 1.8452960252149708
Energy: 1.9796063274436555
Energy: 1.850814736044232
Energy: 1.8442595046937522
Energy: 2.0892102101992767
Energy: 1.844259504692331
Energy: 1.847010796868624
Energy: 1.8460454107089668
Energy: 2.1559838431748077
Energy: 1.8460454107068345
Energy: 1.8462549605815808
Energy: 1.8490292077125823
Energy: 2.0606416890569093
Energy: 1.8490292077118717
Energy: 1.8857753089368163
Energy: 2.0399171525074484
Energy: 1.9290182283426938
Energy: 2.0399171525074484
Energy: 1.8476902002798226
Energy: 1.9635823600229365
Energy: 1.9370067472258068
Energy: 1.9635823600229365
Energy: 2.211220745270396
Energy: 2.0616459990472578
Energy: 2.059645220451511
Energy: 2.061645999046547

minimum gb energy = 1.7823692113850826 eV
minimum distance =  2.29316070121731 Angstroms
sigma value = 73


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

Energy: 2.2733081331443366
Energy: 1.8869873566845943
Energy: 1.9731343306540232
Energy: 1.9726042457425235
Energy: 1.8767501493805163
Energy: 1.8209483335527608
Energy: 2.0123112728087507
Energy: 1.8209483335538883
Energy: 1.8229977396455923
Energy: 1.821731130904102
Energy: 2.1335725508093284
Energy: 1.8217311309029742
Energy: 1.8220033197202916
Energy: 1.8217602144009912
Energy: 2.1673288644188036
Energy: 1.8217602144021188
Energy: 1.825594231728234
Energy: 1.8261280012936498
Energy: 2.1694901564317455
Energy: 1.8261280012925223
Energy: 1.9105721113805763
Energy: 1.825478385977997
Energy: 2.1995824158399135
Energy: 1.825478385977997
Energy: 2.160145543543581
Energy: 2.057407177235143
Energy: 2.0890067711679428
Energy: 2.057407177234016
Energy: 2.0461575348673597
Energy: 2.054588294906176
Energy: 2.054681125984083
Energy: 2.0545882949050482
Energy: 1.8989417532012964
Energy: 2.141292481608754
Energy: 2.0707191430838137
Energy: 2.141292481608754
Energy: 1.95759475194407
Energy: 2.1225280048966626
Energy: 2.056670857665822
Energy: 2.12252800489779
Energy: 1.8988274116089001
Energy: 1.7585492574894113
Energy: 1.7598593471594182
Energy: 1.7585492574894113
Energy: 1.8909522718277805
Energy: 1.7593378199978182
Energy: 2.186335390702628
Energy: 1.7593378199978182
Energy: 2.060916094873107
Energy: 1.902843157211027
Energy: 1.883733541681807
Energy: 1.9028431572098994
Energy: 2.1336597645487587
Energy: 1.904696100459539
Energy: 1.8821025294867042
Energy: 1.904696100459539
Energy: 2.1065063531845105
Energy: 1.9151356060733258
Energy: 1.879305695354797
Energy: 1.9151356060721982
Energy: 2.170946249371712
Energy: 1.9024453458957078
Energy: 1.9010640185903027
Energy: 1.90244534589458
Energy: 2.1349716899473603
Energy: 1.9003991347824971
Energy: 1.8831667862106147
Energy: 1.9003991347824971
Energy: 2.0203794671413458
Energy: 2.096858779190841
Energy: 2.159479553553367
Energy: 2.0968587791897138
Energy: 1.9842175492754397
Energy: 1.9863610758414183
Energy: 2.0345297819745967
Energy: 1.9863610758425458
Energy: 2.050328706810069
Energy: 1.996778386656784
Energy: 1.977817860687847
Energy: 1.9967783866556565
Energy: 1.983052271826402
Energy: 2.1320032294046682
Energy: 1.9547966987241445
Energy: 2.1320032294046682
Energy: 2.1719059918380017
Energy: 1.9734063869875411
Energy: 1.9748196874790167
Energy: 1.9734063869875411

minimum gb energy = 1.7585492574894113 eV
minimum distance =  2.28164448125317 Angstroms
sigma value = 7


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

Energy: 2.1317379435447097
Energy: 1.8323312067898692
Energy: 2.077362147659405
Energy: 1.962656369991047
Energy: 1.9685055354767556
Energy: 1.962495586719505
Energy: 2.16822515739949
Energy: 1.9624955867179104
Energy: 1.829185964554688
Energy: 1.8739980877794002
Energy: 2.0147986702551495
Energy: 1.873998087783387
Energy: 1.8615859724270658
Energy: 1.860631152790767
Energy: 2.1827921062615574
Energy: 1.8606311527923616
Energy: 1.8138134199914389
Energy: 1.8131323657711806
Energy: 2.1226903193557916
Energy: 1.8131323657735723
Energy: 2.01419361470484
Energy: 1.8130920995857587
Energy: 2.121998820067174
Energy: 1.8130920995873534
Energy: 2.1069683608975347
Energy: 1.8141926729265638
Energy: 2.0131669454121295
Energy: 1.8141926729209827
Energy: 2.190090044388182
Energy: 1.811859267497159
Energy: 1.8132229841091378
Energy: 1.8118592674931724
Energy: 2.185104890676358
Energy: 1.8587076436343286
Energy: 1.8584462614754573
Energy: 1.8587076436351258
Energy: 2.1182507944713307
Energy: 2.1296041513492914
Energy: 1.8287655873225332
Energy: 2.1296041513429493
Energy: 2.1632859284447408
Energy: 1.9603633819441224
Energy: 2.1851337260968813
Energy: 1.960363381943325
Energy: 1.9623290178523558
Energy: 1.9634254946821197
Energy: 2.107414425233416
Energy: 1.9634254946805252
Energy: 1.9614859174185808
Energy: 1.968998258408943
Energy: 1.9660522979535449
Energy: 1.9689982584161188
Energy: 2.013176599191039
Energy: 1.9871121286281845
Energy: 1.8989730072631519
Energy: 1.9871121286313735
Energy: 1.9614358070814213
Energy: 1.9689056785721548
Energy: 1.8018906988674614
Energy: 1.9689056785673709
Energy: 2.094964921392385
Energy: 1.961459078080642
Energy: 1.9605416207240849
Energy: 1.9614590780719077
Energy: 2.248030574962824
Energy: 1.959525051411261
Energy: 2.1642456010419853
Energy: 1.9595250514136526
Energy: 1.8289347832818494
Energy: 2.129514629081855
Energy: 2.046783876596752
Energy: 2.1295146290802602
Energy: 1.8596307416144053
Energy: 1.8588873671808825
Energy: 2.189440197068499
Energy: 1.8588873671760988
Energy: 1.8128761384015386
Energy: 1.8117088437155782
Energy: 2.249616964972272
Energy: 1.8117088437123887
Energy: 2.0137052331892495
Energy: 1.8142763325793718
Energy: 2.120253811448199
Energy: 1.8142763325857503
Energy: 2.105080770777866
Energy: 1.8135197450346687
Energy: 2.014472120534605
Energy: 1.8135197450370244
Energy: 2.110140201425549
Energy: 1.8134938175285022
Energy: 1.8140867034687194
Energy: 1.8134938175221236
Energy: 2.1827712313011722
Energy: 1.8604602393754177
Energy: 1.8597826456948343
Energy: 1.8604602393690393
Energy: 2.1164537330627162
Energy: 1.8752373853335165
Energy: 1.8306253381638409
Energy: 1.875237385327138
Energy: 2.1192100219992307
Energy: 1.9621902787248815
Energy: 1.8156628899884215
Energy: 1.9621902787200978
Energy: 1.9677945844739853
Energy: 1.9626717522407557
Energy: 2.1681793259527304
Energy: 1.962671752239161
Energy: 1.960754920548769
Energy: 1.962448554853344
Energy: 1.960603476165761
Energy: 1.9624485548549384
Energy: 2.0177719180705833
Energy: 1.990588857823029
Energy: 1.9635040263599532
Energy: 1.9905888578238264
Energy: 1.958889530664312
Energy: 2.019808589255635
Energy: 1.8984121507933267
Energy: 2.0198085892580266
Energy: 2.09552016756595
Energy: 1.9596523164491373
Energy: 1.9669233154904897
Energy: 1.9596523164467456

minimum gb energy = 1.8018906988674614 eV
minimum distance =  2.28359000116905 Angstroms
sigma value = 29


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

Energy: 1.8416940805344102
Energy: 1.8284864572120518
Energy: 1.7599468441879271
Energy: 1.8799444189339176
Energy: 1.7385111505481528
Energy: 1.876398781475169
Energy: 1.7589650994839956
Energy: 1.8763987814757244
Energy: 1.7587948293374267
Energy: 1.8795344228925621
Energy: 1.7797214978501483
Energy: 1.8795344228933644
Energy: 1.7379531463519076
Energy: 1.7591813758301533
Energy: 1.75607249297284
Energy: 1.7591813758312334
Energy: 1.75644518281375
Energy: 1.764059653577957
Energy: 1.737209000468537
Energy: 1.764059653577957
Energy: 1.7553853154173833
Energy: 1.8799494815203153
Energy: 1.7373493944787979
Energy: 1.8799494815219506
Energy: 1.7796656448730346
Energy: 1.8813298860105252
Energy: 1.7565218827240496
Energy: 1.8813298860102476
Energy: 1.75927711404163
Energy: 1.7609291775525184
Energy: 1.7398487707535375
Energy: 1.760929177552796
Energy: 1.7376520887327922
Energy: 1.7605554031794952
Energy: 1.763913616322221
Energy: 1.7605554031802972

minimum gb energy = 1.737209000468537 eV
minimum distance =  2.33375491442401 Angstroms
sigma value = 5


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

Energy: 2.485596549926309
Energy: 1.7086838295600535
Energy: 2.000950621314716
Energy: 1.7302093125127465
Energy: 2.0796641325653806
Energy: 1.7227238563223226
Energy: 2.010167418584572
Energy: 1.7227238563215697
Energy: 2.0072905543572257
Energy: 1.855332745181177
Energy: 2.016901788968859
Energy: 1.8553327451819301
Energy: 1.76525248834539
Energy: 1.7225868741119743
Energy: 2.0120416472061624
Energy: 1.7225868741097152
Energy: 1.994303969354458
Energy: 1.7247613528828643
Energy: 2.027455825498298
Energy: 1.7247613528828643
Energy: 1.7260840518425824
Energy: 1.7229061973798048
Energy: 2.0263877680401907
Energy: 1.7229061973790516
Energy: 1.7254681072273128
Energy: 1.7259131343210852
Energy: 1.9932841743371834
Energy: 1.7259131343203322
Energy: 1.729314923944926
Energy: 1.723710271347408
Energy: 2.240949197775774
Energy: 1.723710271346655
Energy: 1.9259901914088897
Energy: 2.020494468695497
Energy: 2.249097922425817
Energy: 2.02049446869399
Energy: 2.0271199217961264
Energy: 1.6859455203474494
Energy: 1.6863310429234597
Energy: 1.6859455203474494
Energy: 1.9253856419980775
Energy: 1.6825428905948463
Energy: 1.6810930385967435
Energy: 1.68254289059334
Energy: 2.268162094508237
Energy: 1.6788563004100994
Energy: 1.6798862943531938
Energy: 1.6788563004116057
Energy: 2.294844907504863
Energy: 1.680356985508566
Energy: 2.159189118553228
Energy: 1.6803569855093194
Energy: 1.7817416917982418
Energy: 1.722593391615457
Energy: 2.0292767604506983
Energy: 1.722593391615457
Energy: 1.7233456043234894
Energy: 1.7243944474420512
Energy: 2.0265219075837626
Energy: 1.724394447441298
Energy: 1.7231922271142928
Energy: 1.7232183862167356
Energy: 2.1459185115770274
Energy: 1.7232183862159827
Energy: 1.7302191621877012
Energy: 1.729224102263224
Energy: 1.7660766890412463
Energy: 1.729224102265483
Energy: 2.008102869036389
Energy: 1.7239852517249465
Energy: 1.764397167229254
Energy: 1.7239852517257
Energy: 2.021054641550872
Energy: 1.8570929018151647
Energy: 2.0062916731316505
Energy: 1.8570929018166709
Energy: 2.0097476198960917
Energy: 1.7227413810204795
Energy: 1.7682930911990142
Energy: 1.7227413810212326
Energy: 2.0254324841645834
Energy: 1.7238363939899297
Energy: 1.9929156925894442
Energy: 1.7238363939891765
Energy: 2.0283355956102227
Energy: 1.7243092320691442
Energy: 1.7260890846269523
Energy: 1.724309232068391
Energy: 2.1572191403015286
Energy: 1.7243691931948775
Energy: 1.72333644567571
Energy: 1.7243691931956304
Energy: 2.2426785053998195
Energy: 1.7228527387238168
Energy: 1.7236693821401605
Energy: 1.7228527387238168
Energy: 2.2393277667229143
Energy: 1.7719287108946253
Energy: 1.925741513144298
Energy: 1.771928710893872
Energy: 1.6934370122809124
Energy: 1.6855790947194969
Energy: 2.026584246368259
Energy: 1.6855790947194969
Energy: 1.6846214627339542
Energy: 1.6849774534841502
Energy: 1.9255928560878879
Energy: 1.6849774534841502
Energy: 1.6808504473406107
Energy: 1.6814124689807397
Energy: 1.765296876810489
Energy: 1.6814124689784802
Energy: 1.6802592924674018
Energy: 1.6820363133337768
Energy: 2.2793009839676777
Energy: 1.6820363133352831
Energy: 2.0279249404867623
Energy: 1.7683666931870408
Energy: 1.9266164209120198
Energy: 1.7683666931862876
Energy: 2.0274263624784727
Energy: 1.7242254524310232
Energy: 1.7224701137317626
Energy: 1.7242254524295852
Energy: 2.144375703774227
Energy: 1.7239565073403873
Energy: 1.7228883705405145
Energy: 1.7239565073396341
Energy: 1.767995972121637
Energy: 1.7253911737382568
Energy: 1.727997488874091
Energy: 1.7253911737375036

minimum gb energy = 1.6788563004100994 eV
minimum distance =  2.29197576754845 Angstroms
sigma value = 1


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

Energy: 2.664963250658321
Energy: 1.586924812289423
Energy: 1.6464208330984575
Energy: 1.6451324606397573
Energy: 1.6887032229107466
Energy: 1.6420339340552645
Energy: 2.022480108837642
Energy: 1.6420339340563062
Energy: 2.022652961305418
Energy: 1.8075175078459131
Energy: 2.0234229562608115
Energy: 1.8075175078438304
Energy: 1.6792007982852264
Energy: 1.809203510523805
Energy: 2.0146599943076993
Energy: 1.8092035105227633
Energy: 1.641989660631351
Energy: 1.636032525109737
Energy: 2.0189157654760157
Energy: 1.636032525109737
Energy: 1.6354962555249413
Energy: 1.6364204395403597
Energy: 2.019857419218148
Energy: 1.636420439542442
Energy: 1.6349584585470602
Energy: 1.63649554457647
Energy: 2.02867665075115
Energy: 1.6364955445775113
Energy: 1.6462359851565582
Energy: 1.644130649443755
Energy: 2.3370801833432107
Energy: 1.6441306494416725
Energy: 2.022899794287478
Energy: 1.7214237720494783
Energy: 2.3366905985847897
Energy: 1.7214237720473957
Energy: 2.0180340878668934
Energy: 1.6433420590718903
Energy: 1.6426082135982891
Energy: 1.6433420590770973
Energy: 2.024786897002998
Energy: 1.6384522281947629
Energy: 1.6381918801261877
Energy: 1.6384522281968459
Energy: 2.3363475923315677
Energy: 1.6364539635895807
Energy: 1.6347014208867128
Energy: 1.6364539635916633
Energy: 2.3362642103240336
Energy: 1.6380960797464024
Energy: 1.6415004957098625
Energy: 1.6380960797433257
Energy: 2.0260443182256256
Energy: 1.808308206985256
Energy: 2.0242419739164244
Energy: 1.80830820698838
Energy: 1.679402737374
Energy: 1.8059352344865751
Energy: 2.024756980514683
Energy: 1.8059352344865751
Energy: 1.6885460334898315
Energy: 1.6374463904951817
Energy: 2.236728735162504
Energy: 1.6374463904941405
Energy: 1.6440592222487835
Energy: 1.6423667427404949
Energy: 2.018884481972638
Energy: 1.6423667427394533
Energy: 1.6411844892751843
Energy: 1.6445527524811667
Energy: 2.0190618864254564
Energy: 1.6445527524811667
Energy: 1.635376792433924
Energy: 1.637467874552241
Energy: 2.3365882912957967
Energy: 1.6374678745511997
Energy: 1.647589921400209
Energy: 1.6436517542794418
Energy: 2.3378296285356384
Energy: 1.6436517542784006
Energy: 2.0184771547271123
Energy: 1.7193812440182203
Energy: 2.234105631422866
Energy: 1.7193812440203031
Energy: 2.0202497947896547
Energy: 1.6364933482426482
Energy: 1.6423912982234825
Energy: 1.6364933482374415
Energy: 2.2335468163343104
Energy: 1.6346314513896472
Energy: 1.6349909780282512
Energy: 1.634631451388606
Energy: 2.336160694638862
Energy: 1.6383097639500728
Energy: 1.6396167851482455
Energy: 1.6383097639490316

minimum gb energy = 1.586924812289423 eV
minimum distance =  2.29315918560928 Angstroms
sigma value = 17


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

Energy: 2.1416243625076437
Energy: 1.572131950859962
Energy: 1.930037701486282
Energy: 1.6079814304110729
Energy: 1.6546284168883996
Energy: 1.6071153814526624
Energy: 1.8638116995919316
Energy: 1.6071153814533063
Energy: 2.077173812315665
Energy: 1.6034115872109291
Energy: 1.8632325891148545
Energy: 1.6034115872102854
Energy: 2.116133090946829
Energy: 1.6859571169289471
Energy: 1.8622525655952653
Energy: 1.6859571169270162
Energy: 1.826011188682696
Energy: 1.5742619085372846
Energy: 2.080309142360449
Energy: 1.5742619085392155
Energy: 1.575455931804781
Energy: 1.57332099079095
Energy: 2.0756192028493086
Energy: 1.57332099079095
Energy: 1.5753212506688126
Energy: 1.5731649957132336
Energy: 1.669718124002195
Energy: 1.5731649957119462
Energy: 1.5881378186112005
Energy: 1.5766131090370048
Energy: 2.065973361459897
Energy: 1.5766131090376485
Energy: 2.071604250968575
Energy: 1.5725361833680076
Energy: 2.0765113866932907
Energy: 1.572536183365433
Energy: 1.8788134949600646
Energy: 1.6911529140889694
Energy: 1.8591086442303653
Energy: 1.6911529140909005
Energy: 2.067760289042604
Energy: 1.607285917067985
Energy: 1.6395143965842969
Energy: 1.6072859170692724
Energy: 2.081900101193406
Energy: 1.6112510592727038
Energy: 1.8601736462219403
Energy: 1.6112510592707727
Energy: 2.0756102809331987
Energy: 1.6062776451801346
Energy: 1.6111483743753525
Energy: 1.6062776451801346
Energy: 1.6195824255600189
Energy: 1.6033110702316438
Energy: 1.6036596584183185
Energy: 1.6033110702342184
Energy: 2.109389065715792
Energy: 1.6053419041500827
Energy: 1.6105707030771719
Energy: 1.6053419041487953
Energy: 2.0654721394030355
Energy: 1.603690517928857
Energy: 1.8718778559132037
Energy: 1.603690517928857
Energy: 1.617217271040976
Energy: 1.6129523391999792
Energy: 2.0998012986374044
Energy: 1.612952339196761
Energy: 1.6049291122826068
Energy: 1.6042345945042733
Energy: 2.0775051662974913
Energy: 1.6042345945036296
Energy: 1.6174656337504818
Energy: 1.6115840799013568
Energy: 2.0748497713546175
Energy: 1.6115840799007133
Energy: 1.612716414298658
Energy: 1.6051743891886867
Energy: 2.0672567936514668
Energy: 1.6051743891906174
Energy: 1.863343362367603
Energy: 1.6048321158115966
Energy: 1.6160996563045027
Energy: 1.6048321158096654
Energy: 1.8626559573947201
Energy: 1.9371161889580104
Energy: 2.0806345538270294
Energy: 1.9371161889573667
Energy: 1.8670672618333475
Energy: 1.6834867435273846
Energy: 2.0900905383307533
Energy: 1.6834867435286718
Energy: 2.114025713875377
Energy: 1.5769562714744751
Energy: 1.8215366141863172
Energy: 1.5769562714738317
Energy: 2.0823689629267315
Energy: 1.572612849374077
Energy: 1.5727788953685922
Energy: 1.572612849374077
Energy: 1.8709337978235627
Energy: 1.5754511825543647
Energy: 1.5779428255530836
Energy: 1.5754511825550082
Energy: 2.0652067099830473
Energy: 1.5737791592111807
Energy: 1.57930566655453
Energy: 1.5737791592131116
Energy: 1.864985213502567
Energy: 1.57440894643404
Energy: 2.074249329089473
Energy: 1.5744089464359707
Energy: 1.858055084564548
Energy: 1.6897224181911283
Energy: 1.8761579832992137
Energy: 1.6897224181956336
Energy: 1.6340397982879773
Energy: 1.6045407518539376
Energy: 2.0718895688993153
Energy: 1.6045407518539376
Energy: 1.851928066559849
Energy: 1.6029293720982452
Energy: 2.0745967910372096
Energy: 1.6029293720956705
Energy: 1.6068323319875728
Energy: 1.6033508638852076
Energy: 2.0743819337944704
Energy: 1.6033508638845642
Energy: 1.603666904302599
Energy: 1.603686398826522
Energy: 1.8586403787518713
Energy: 1.603686398824591
Energy: 1.616692370598287
Energy: 1.6112997874250516
Energy: 2.114035312297589
Energy: 1.611299787424408
Energy: 1.8682989537733468
Energy: 1.6524985373273877
Energy: 2.0654938957866777
Energy: 1.6524985373254568
Energy: 2.071117659487635
Energy: 1.6109321164438588
Energy: 1.6220461985585726
Energy: 1.6109321164438588
Energy: 2.077213306514858
Energy: 1.6068107967325742
Energy: 1.6141441723960719
Energy: 1.6068107967319303
Energy: 2.0762394812618297
Energy: 1.6032527788387887
Energy: 1.60460679379647
Energy: 1.6032527788407196

minimum gb energy = 1.572131950859962 eV
minimum distance =  2.28828211352271 Angstroms
sigma value = 89


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

Energy: 3.0396281455367755
Energy: 1.4673533444257107
Energy: 1.471897413123763
Energy: 1.4716583645351704
Energy: 1.4686650543665536
Energy: 1.6083818098300715
Energy: 1.477748546071637
Energy: 1.6083818098283873
Energy: 1.469025934365217
Energy: 1.609829842440939
Energy: 1.4889696088399462
Energy: 1.609829842440939
Energy: 1.4631506145977615
Energy: 1.6030568777023722
Energy: 1.4749931374853213
Energy: 1.6030568777023722
Energy: 1.4702884270224983
Energy: 1.4696355548079623
Energy: 1.4825952927387207
Energy: 1.4696355548079623
Energy: 1.4704276960290914
Energy: 1.4686732538937994
Energy: 1.4811844454566652
Energy: 1.4686732538937994
Energy: 1.4675239503963233
Energy: 1.4671275521626181
Energy: 1.4765541932749588
Energy: 1.4671275521626181
Energy: 1.4670490927046855
Energy: 1.4699542206148624
Energy: 1.464993603003618
Energy: 1.4699542206148624
Energy: 1.4739008787611452
Energy: 1.4676229058261854
Energy: 1.47243878888615
Energy: 1.4676229058261854
Energy: 1.4941099022105995
Energy: 1.6039208577647692
Energy: 1.47415311739575
Energy: 1.6039208577647692
Energy: 1.4730582968680317
Energy: 1.6053448455753427
Energy: 1.4638416268943026
Energy: 1.6053448455753427
Energy: 1.4808835197613837
Energy: 1.4677249670447425
Energy: 1.4720885911057984
Energy: 1.4677249670447425
Energy: 1.481531610302992
Energy: 1.4697252145145951
Energy: 1.4680501076025754
Energy: 1.4697252145145951
Energy: 1.4762008309779253
Energy: 1.4667005427933446
Energy: 1.4658484081729282
Energy: 1.4667005427933446
Energy: 1.4650195401637562
Energy: 1.4701730566102782
Energy: 1.472904239301393
Energy: 1.4701730566119622

minimum gb energy = 1.4631506145977615 eV
minimum distance =  2.3067202260775 Angstroms
sigma value = 13


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

Energy: 2.671037102338065
Energy: 1.3486197844868892
Energy: 1.7318671145275721
Energy: 1.361195259552304
Energy: 1.8888365943336018
Energy: 1.35890590480576
Energy: 1.6350295976323759
Energy: 1.358905904799407
Energy: 1.8966725048161581
Energy: 1.355469505592109
Energy: 1.64705609624616
Energy: 1.355469505592815
Energy: 1.9276694264939451
Energy: 1.364946203184456
Energy: 1.6334727592177145
Energy: 1.3649462031802204
Energy: 1.8925751017635317
Energy: 1.357991737345892
Energy: 1.919170556628283
Energy: 1.3579917373536563
Energy: 1.6314953545907516
Energy: 1.3577361143947821
Energy: 1.9146748911928912
Energy: 1.3577361143976057
Energy: 1.6319143385524106
Energy: 1.3555344200031203
Energy: 1.8909202336263193
Energy: 1.3555344199981796
Energy: 1.636226160071651
Energy: 1.3556799804490067
Energy: 1.6544561344456188
Energy: 1.3556799804539479
Energy: 1.363939255585975
Energy: 1.3618992151422533
Energy: 1.8892336265931824
Energy: 1.3618992151408416
Energy: 1.354785291447443
Energy: 1.3547891687431692
Energy: 1.900043476547529
Energy: 1.354789168750228
Energy: 1.3708192176314282
Energy: 1.3648246445717334
Energy: 1.6406095784808434
Energy: 1.36482464456891
Energy: 1.8942959846940892
Energy: 1.4342548938231097
Energy: 1.898872865771995
Energy: 1.434254893832992
Energy: 1.8979318457398615
Energy: 1.4345676190797805
Energy: 1.9112000082909244
Energy: 1.4345676190769572
Energy: 1.8885917557782863
Energy: 1.4290642564209417
Energy: 1.9276510900337072
Energy: 1.4290642564230593
Energy: 1.887749840628769
Energy: 1.362105168737339
Energy: 1.888139720601818
Energy: 1.3621051687401624
Energy: 1.8875879755696952
Energy: 1.3579770585739692
Energy: 1.3635013930455067
Energy: 1.357977058574675
Energy: 1.8892492432680437
Energy: 1.3557156840891704
Energy: 1.3574226509692542
Energy: 1.355715684087053
Energy: 1.8881170071074052
Energy: 1.355744867174078
Energy: 1.3572737125740766
Energy: 1.3557448671698427
Energy: 1.8854653932111685
Energy: 1.3540018993352276
Energy: 1.6271725643216643
Energy: 1.354001899338693
Energy: 1.899023334905364
Energy: 1.3546755603885137
Energy: 1.649801228925557
Energy: 1.3546755603906313
Energy: 2.0186232539112545
Energy: 1.3572768831919002
Energy: 1.6328565711218619
Energy: 1.357276883192606
Energy: 1.8986817715291855
Energy: 1.3556489806611283
Energy: 1.8978320429873563
Energy: 1.3556489806540695
Energy: 1.6372668539634427
Energy: 1.3588654055171006
Energy: 1.921111412657058
Energy: 1.358865405514983
Energy: 1.3645353092585162
Energy: 1.3543581260133333
Energy: 1.889502011219882
Energy: 1.35435812601821
Energy: 1.632178769165605
Energy: 1.3548544093984203
Energy: 1.8883264873859378
Energy: 1.3548544093984203
Energy: 1.3587706281149277
Energy: 1.35591497135718
Energy: 1.8881771299590147
Energy: 1.3559149713585916
Energy: 1.3562962592425463
Energy: 1.3541714805337226
Energy: 1.896291749004669
Energy: 1.354171480526664
Energy: 1.3666243068929416
Energy: 1.3626115249237545
Energy: 1.882440431741374
Energy: 1.3626115249294015
Energy: 1.89297539660617
Energy: 1.3541397230824528
Energy: 1.885772788095125
Energy: 1.354139723092335
Energy: 1.6490982807243222
Energy: 1.429727033697928
Energy: 1.8919093464674412
Energy: 1.4297270336936927
Energy: 1.888528831413014
Energy: 1.432563383994627
Energy: 1.9329243854981173
Energy: 1.4325633840052148
Energy: 1.8876485617791228
Energy: 1.3567154562238786
Energy: 1.8904123878355936
Energy: 1.356715456217526
Energy: 1.8874220763228304
Energy: 1.3633027020275468
Energy: 1.3685160323906833
Energy: 1.3633027020338995
Energy: 1.890008788874956
Energy: 1.3539670115060014
Energy: 1.3544577770369417
Energy: 1.3539670115031779
Energy: 1.8854406930580925
Energy: 1.3568677343971878
Energy: 1.3606990124806608
Energy: 1.3568677343964817

minimum gb energy = 1.3486197844868892 eV
minimum distance =  2.30024848801193 Angstroms
sigma value = 37


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

Energy: 2.619951206551347
Energy: 1.2393784875599378
Energy: 1.2547322434769523
Energy: 1.2536119542490636
Energy: 2.13046041857222
Energy: 1.2524923717530432
Energy: 1.70703243598885
Energy: 1.2524923717530432
Energy: 1.9273227527279226
Energy: 1.2506735632272712
Energy: 1.7070369820452258
Energy: 1.2506735632272712
Energy: 1.9416889131076431
Energy: 1.4061906057866493
Energy: 1.7011129408203316
Energy: 1.4061906057878635
Energy: 2.1429629487890236
Energy: 1.2285087828299466
Energy: 1.9265347751828745
Energy: 1.2285087828275176
Energy: 1.4826101011518766
Energy: 1.2273557558869752
Energy: 1.9420819134035476
Energy: 1.2273557558881898
Energy: 1.4801678508351064
Energy: 1.2270889440727613
Energy: 2.1217511656085204
Energy: 1.2270889440739754
Energy: 1.689334527310539
Energy: 1.2286991190194345
Energy: 1.957880421922416
Energy: 1.2286991190206489
Energy: 1.4665176279812442
Energy: 1.2232483025593337
Energy: 1.9577014462708116
Energy: 1.2232483025605478
Energy: 1.46451194128463
Energy: 1.2237227681106861
Energy: 2.117777416259747
Energy: 1.2237227681106861
Energy: 1.5018687858477078
Energy: 1.5014274658624502
Energy: 2.1665545743081807
Energy: 1.5014274658624502
Energy: 1.9102903638268993
Energy: 1.2233611304879588
Energy: 2.1181717423661612
Energy: 1.22336113048553
Energy: 1.910042721387226
Energy: 1.223110668525552
Energy: 1.9423816415665103
Energy: 1.223110668525552
Energy: 2.1417843236318186
Energy: 1.3743856910299355
Energy: 1.9413378700801942
Energy: 1.3743856910323642
Energy: 1.9265347751828745
Energy: 1.3759449020502772
Energy: 2.122070043835594
Energy: 1.375944902049063
Energy: 1.9420819134011187
Energy: 1.3743579304438258
Energy: 1.4826835837888903
Energy: 1.3743579304438258
Energy: 2.1432479741026706
Energy: 1.373598263914282
Energy: 1.4804958229071392
Energy: 1.3735982639154967
Energy: 1.9578804219297021
Energy: 1.2599462692633054
Energy: 1.2617586268967922
Energy: 1.2599462692620913
Energy: 1.9577014462756692
Energy: 1.2501285351572846
Energy: 1.251588756877374
Energy: 1.2501285351572846
Energy: 2.13058288670076
Energy: 1.2527395717788055
Energy: 1.2560056836633842
Energy: 1.2527395717800198

minimum gb energy = 1.223110668525552 eV
minimum distance =  2.29257851528099 Angstroms
sigma value = 25


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

Energy: 2.796346148371492
Energy: 1.0782500182692676
Energy: 1.4871315927716888
Energy: 1.0730402838686073
Energy: 2.4418968204043985
Energy: 1.0673863083196302
Energy: 1.450352464166984
Energy: 1.067386308321527
Energy: 2.4454369433905754
Energy: 1.0685946311040313
Energy: 1.4554124338271186
Energy: 1.0685946311040313
Energy: 1.8266737439668541
Energy: 1.0706746726337404
Energy: 1.449548611622561
Energy: 1.0706746726337404
Energy: 2.1387171685494626
Energy: 1.1884495281023124
Energy: 2.1382700830759913
Energy: 1.1884495281023124
Energy: 1.8271600728562511
Energy: 1.186500022500656
Energy: 2.139053215207939
Energy: 1.186500022499708
Energy: 1.832595593999706
Energy: 1.1893926303169335
Energy: 2.1394632602140673
Energy: 1.1893926303159854
Energy: 1.449785006703548
Energy: 1.0710372541742093
Energy: 2.1349342154140607
Energy: 1.071037254173261
Energy: 1.4520645160354368
Energy: 1.0687692086868568
Energy: 2.4494466616864803
Energy: 1.0687692086868568
Energy: 1.4488246572711303
Energy: 1.0703028953385825
Energy: 2.4534332215982264
Energy: 1.0703028953385825
Energy: 1.075402365210279
Energy: 1.0764700953766415
Energy: 2.1618215707636246
Energy: 1.0764700953756934
Energy: 1.0721417049819388
Energy: 1.0708377453249636
Energy: 2.453107444818919
Energy: 1.070837745325912
Energy: 1.0700472283501516
Energy: 1.0689367574249762
Energy: 2.4422888685179815
Energy: 1.0689367574249762
Energy: 1.0794735697757496
Energy: 1.069192310289327
Energy: 2.4366743126057466
Energy: 1.069192310290275
Energy: 1.452931417405087
Energy: 1.068365629667934
Energy: 2.4496783596421032
Energy: 1.0683656296688824
Energy: 1.4495040731010158
Energy: 1.0680839225741792
Energy: 2.4499598911363107
Energy: 1.0680839225751273
Energy: 1.8476990113926017
Energy: 1.0690748346884575
Energy: 2.441717769142505
Energy: 1.0690748346894061
Energy: 1.4537894825945603
Energy: 1.1926637496834003
Energy: 2.148067181427594
Energy: 1.1926637496815036
Energy: 2.1383908643730485
Energy: 1.1878906797887732
Energy: 1.8318961873502546
Energy: 1.1878906797887732
Energy: 2.453562188871474
Energy: 1.1876596073333505
Energy: 1.8279741520952584
Energy: 1.1876596073324022
Energy: 2.1339568645611853
Energy: 1.073950494422364
Energy: 1.4581900636564773
Energy: 1.0739504944242606
Energy: 2.4527941908804274
Energy: 1.067514284462168
Energy: 1.0694300482380221
Energy: 1.067514284462168
Energy: 2.4457910680807444
Energy: 1.068704092993978
Energy: 1.448647289971088
Energy: 1.068704092993978
Energy: 2.134721565799237
Energy: 1.072623230946102
Energy: 1.0777793216952551
Energy: 1.0726232309451538
Energy: 2.449118027661856
Energy: 1.0696234974806031
Energy: 1.0686431182279499
Energy: 1.0696234974815515
Energy: 2.445135652600361
Energy: 1.0720271834488833
Energy: 1.074190785896348
Energy: 1.0720271834498314

minimum gb energy = 1.0673863083196302 eV
minimum distance =  2.31614215304081 Angstroms
sigma value = 41


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

Energy: 2.6791167678159824
Energy: 0.9675415759675129
Energy: 1.395682216388309
Energy: 0.9574590766104569
Energy: 2.656516716505336
Energy: 0.9541722084064774
Energy: 1.2760870474917725
Energy: 0.9541722084064774
Energy: 2.6488365511204406
Energy: 0.953151540839633
Energy: 1.2793104368974944
Energy: 0.9531515408404103
Energy: 2.1448895755779858
Energy: 0.9546403197002743
Energy: 1.6172733163225101
Energy: 0.9546403197002743
Energy: 2.400973219257725
Energy: 0.9522890576263456
Energy: 1.8736116262498193
Energy: 0.9522890576286781
Energy: 2.1339279805478895
Energy: 0.95414417684708
Energy: 1.8659320786116969
Energy: 0.9541441768478575
Energy: 2.1397343063260443
Energy: 1.0541131187482795
Energy: 2.145457325844752
Energy: 1.0541131187467245
Energy: 1.8822298226039813
Energy: 1.0580638402028202
Energy: 1.8759021248765482
Energy: 1.058063840197378
Energy: 1.597520348908064
Energy: 0.9528393313051978
Energy: 2.3918434209464765
Energy: 0.9528393313153048
Energy: 1.5959901390850137
Energy: 0.9524766340967084
Energy: 2.390585449073143
Energy: 0.9524766340974858
Energy: 1.2902084167328136
Energy: 0.9567357911584088
Energy: 2.3871686975164415
Energy: 0.9567357911591862
Energy: 1.2774595153706372
Energy: 0.9527056808931539
Energy: 2.65133144242814
Energy: 0.9527056808923766
Energy: 1.2774093839612046
Energy: 0.9556319827913348
Energy: 2.653703855289829
Energy: 0.9556319827921121
Energy: 0.96511787024222
Energy: 0.9594059374562547
Energy: 2.3864468251450073
Energy: 0.959405937458587
Energy: 0.9558556620419617
Energy: 0.9542621046680992
Energy: 2.648225370327689
Energy: 0.9542621046673219
Energy: 0.9601797361740074
Energy: 0.9539001864478438
Energy: 2.6502180954377037
Energy: 0.9539001864470665
Energy: 1.2830885995156391
Energy: 0.9529358906975468
Energy: 2.640205767694081
Energy: 0.9529358906975468
Energy: 1.279685283673128
Energy: 0.9531255101143835
Energy: 2.64677516210805
Energy: 0.9531255101128285
Energy: 1.2798763361678853
Energy: 0.9556737348882788
Energy: 2.13841308922687
Energy: 0.9556737348882788
Energy: 1.8697333338467015
Energy: 0.9531776377077319
Energy: 2.1347827364885124
Energy: 0.9531776377077319
Energy: 1.8821944389986334
Energy: 0.9536656965971009
Energy: 2.3897655942094898
Energy: 0.9536656965908814
Energy: 1.8712832541733746
Energy: 1.0525598031651637
Energy: 2.144397121440685
Energy: 1.0525598031628312
Energy: 2.3920902823011283
Energy: 1.0501899590523087
Energy: 2.1315948668553806
Energy: 1.0501899590530863
Energy: 1.8748754148592937
Energy: 1.0555146323424565
Energy: 1.869447715271244
Energy: 1.055514632343234
Energy: 2.3942936843367235
Energy: 0.9530199408513992
Energy: 1.6072061853559254
Energy: 0.953019940852954
Energy: 2.395514210477679
Energy: 0.9531751169562638
Energy: 1.8662793518921093
Energy: 0.9531751169547089
Energy: 2.3988126420868574
Energy: 0.9559666940954671
Energy: 1.2785003816299099
Energy: 0.955966694097022
Energy: 2.6460756667788767
Energy: 0.9560171368673389
Energy: 1.2791478071351272
Energy: 0.9560171368696713
Energy: 2.395954291176404
Energy: 0.9555755726275275
Energy: 1.2848577208886653
Energy: 0.9555755726298597
Energy: 2.393090761701347
Energy: 0.9535523302249919
Energy: 0.9576459805704314
Energy: 0.9535523302242145
Energy: 2.6473956383762047
Energy: 0.9536584598064469
Energy: 0.9548949583406816
Energy: 0.9536584598056694
Energy: 2.640790123952682
Energy: 0.9550226649476702
Energy: 0.9582341762122417
Energy: 0.9550226649476702

minimum gb energy = 0.9522890576263456 eV
minimum distance =  2.31400654275019 Angstroms
sigma value = 15


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

Energy: 2.365014208026046
Energy: 0.8812933093369203
Energy: 1.324431531885968
Energy: 0.8752638093072639
Energy: 2.7835769483433297
Energy: 0.8669014318767274
Energy: 1.1442376984470721
Energy: 0.8669014318760687
Energy: 2.784620241902346
Energy: 0.8687401521445965
Energy: 1.1476898835539724
Energy: 0.868740152143938
Energy: 2.3604252852965772
Energy: 0.8696182813546498
Energy: 1.6693569899760607
Energy: 0.8696182813665048
Energy: 2.3580388272080377
Energy: 0.8652718032885706
Energy: 1.6568616044848588
Energy: 0.8652718032846188
Energy: 2.348717663982849
Energy: 0.8667373672275516
Energy: 1.6537082286951013
Energy: 0.8667373672288687
Energy: 1.8910387607235628
Energy: 0.8678471730914018
Energy: 2.1223880258704435
Energy: 0.8678471731282841
Energy: 2.128924145783582
Energy: 0.9561566132133482
Energy: 1.661294531838843
Energy: 0.9561566131797589
Energy: 1.88807562361682
Energy: 0.9488993442556467
Energy: 2.1154158584244707
Energy: 0.9488993442675018
Energy: 1.8864185781183314
Energy: 0.949310754896221
Energy: 2.563220334034416
Energy: 0.9493107548955624
Energy: 1.6667052746304292
Energy: 0.8688817647292859
Energy: 2.133158822778072
Energy: 0.8688817647076116
Energy: 1.4236670950617396
Energy: 0.8651474357027852
Energy: 2.5629268977907205
Energy: 0.8651474357054196
Energy: 1.6570566601767902
Energy: 0.867171725270924
Energy: 2.5642397523491653
Energy: 0.8671717252722412
Energy: 1.1551095389951498
Energy: 0.8693340212752815
Energy: 2.1265738154207674
Energy: 0.869334021277916
Energy: 1.148690188536674
Energy: 0.8654433186815931
Energy: 2.7773718883244483
Energy: 0.8654433186835689
Energy: 1.1511712035552932
Energy: 0.8689340371487434
Energy: 2.568897447643498
Energy: 0.8689340371474262
Energy: 0.8755574869497064
Energy: 0.86999275600953
Energy: 2.5743893919225296
Energy: 0.86999275600953
Energy: 0.8678148046581745
Energy: 0.8651413310073629
Energy: 2.776013847404734
Energy: 0.8651413310080216
Energy: 0.8691883786695419
Energy: 0.8690289653243204
Energy: 2.3527312497402715
Energy: 0.8690289653262963
Energy: 1.1548198149131692
Energy: 0.8676278178790743
Energy: 2.786984333907289
Energy: 0.8676278178790743
Energy: 1.1513611886567285
Energy: 0.86580651263042
Energy: 2.7775581730901524
Energy: 0.8658065126330544
Energy: 1.1548658108295393
Energy: 0.8720949323253862
Energy: 2.3578704371862558
Energy: 0.8720949323273619
Energy: 1.6552999300519595
Energy: 0.8655804807842046
Energy: 2.344919687309241
Energy: 0.8655804807855217
Energy: 1.6611285605146842
Energy: 0.865543687672375
Energy: 2.5630282558335677
Energy: 0.8655436876710578
Energy: 1.6656758376287488
Energy: 0.868224622342764
Energy: 1.901606027206294
Energy: 0.8682246223322262
Energy: 2.118082682736627
Energy: 0.9490080505794362
Energy: 2.363369702396032
Energy: 0.9490080505820706
Energy: 1.65651980713308
Energy: 0.9485515912647053
Energy: 2.119055891144834
Energy: 0.9485515912706327
Energy: 2.1319348511783485
Energy: 0.9570885081199535
Energy: 1.8987242053330093
Energy: 0.9570885081153431
Energy: 2.123210509260861
Energy: 0.8672249465566132
Energy: 2.123142390341318
Energy: 0.8672249465427826
Energy: 2.1176783180284002
Energy: 0.8666321980945566
Energy: 1.6568121650124983
Energy: 0.8666321980958739
Energy: 2.571685289462307
Energy: 0.8655432158195828
Energy: 1.4236610901018485
Energy: 0.8655432158222172
Energy: 2.127713520676908
Energy: 0.868374817385876
Energy: 1.6671558382354141
Energy: 0.8683748173878519
Energy: 2.5654732391710695
Energy: 0.8659598125719862
Energy: 1.149947172780503
Energy: 0.865959812570669
Energy: 2.7804163243204645
Energy: 0.8682822888400155
Energy: 1.1487628826366125
Energy: 0.8682822888413326
Energy: 2.5580300861900755
Energy: 0.8683540003572581
Energy: 0.8802733269449624
Energy: 0.868354000359234
Energy: 2.781248962007062
Energy: 0.8682123633830741
Energy: 0.8678073822733992
Energy: 0.8682123633850498
Energy: 2.7799816790708354
Energy: 0.8680585331904527
Energy: 0.8704397329121742
Energy: 0.8680585331904527

minimum gb energy = 0.8651413310073629 eV
minimum distance =  2.311915786618 Angstroms
sigma value = 85


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

Energy: 2.9844318241825722
Energy: 0.7803374032845849
Energy: 0.7775557527903217
Energy: 0.77916356056623
Energy: 2.66866285266814
Energy: 0.778987928210528
Energy: 1.025655041770364
Energy: 0.7789879282093857
Energy: 2.577753411344311
Energy: 0.7775543553023426
Energy: 1.0272783433280193
Energy: 0.7775543553012002
Energy: 2.179165610017512
Energy: 0.7796918255585658
Energy: 1.4740585233638255
Energy: 0.779691825556852
Energy: 2.581122683677445
Energy: 0.7754561207196432
Energy: 1.474910511216337
Energy: 0.7754561207179296
Energy: 2.185333536043211
Energy: 0.7773629915721336
Energy: 1.4748909992916137
Energy: 0.7773629915727048
Energy: 2.1819980964518866
Energy: 0.7773258794539941
Energy: 1.8831163900384817
Energy: 0.7773258794585638
Energy: 2.2900609466115007
Energy: 0.7754823799690144
Energy: 1.5721495969340191
Energy: 0.7754823799381947
Energy: 2.1916912643308186
Energy: 0.7765415263618495
Energy: 1.8837330728402752
Energy: 0.7765415263435965
Energy: 2.189572610511506
Energy: 0.9271077728984337
Energy: 2.2864813454685615
Energy: 0.9271077729292794
Energy: 1.8846535968093678
Energy: 0.7739159763561522
Energy: 1.981293836782301
Energy: 0.7739158785817567
Energy: 1.7845924138026001
Energy: 0.7748426681416387
Energy: 2.28711335465064
Energy: 0.7748426681416387
Energy: 1.8840616076382954
Energy: 0.7746347197859778
Energy: 2.384791221577526
Energy: 0.7746347197380217
Energy: 1.476275892859355
Energy: 0.7739041618239039
Energy: 1.9781504172055562
Energy: 0.7739041618256175
Energy: 1.3724736837746923
Energy: 0.774917269570318
Energy: 2.6648614018015486
Energy: 0.7749172695691756
Energy: 1.4813194786062078
Energy: 0.7741131595679126
Energy: 2.385997046749902
Energy: 0.77411315957134
Energy: 1.0022910194650352
Energy: 0.7743620090575541
Energy: 2.3801059405744267
Energy: 0.7743620090586966
Energy: 1.0083315510766653
Energy: 0.7746453944414949
Energy: 2.7597279420235856
Energy: 0.7746453944426374
Energy: 1.0016282983936413
Energy: 0.7750411719242234
Energy: 2.7577962352289904
Energy: 0.7750411719247945
Energy: 0.8968428401962868
Energy: 0.7761406381494014
Energy: 2.7576354783516277
Energy: 0.7761406381494014
Energy: 0.8972238541651854
Energy: 0.7718857226727537
Energy: 2.848978269994379
Energy: 0.7718857226710399
Energy: 0.8972919145549678
Energy: 0.7740000626301472
Energy: 2.4779711856531628
Energy: 0.7740000626318608
Energy: 1.1487765805829027
Energy: 0.7745401218861544
Energy: 2.8474614548135255
Energy: 0.7745401218867256
Energy: 1.1516718144682256
Energy: 0.7728097475028085
Energy: 2.85168758653073
Energy: 0.7728097475039508
Energy: 1.1436349512655806
Energy: 0.775443119597967
Energy: 2.179140954948966
Energy: 0.7754431195973956
Energy: 1.4533688800920779
Energy: 0.7721481128974778
Energy: 2.849740019647074
Energy: 0.7721481128951928
Energy: 1.4594719260519378
Energy: 0.7726137292147313
Energy: 2.579477059725012
Energy: 0.772613729213589
Energy: 1.4534887014149616
Energy: 0.7762940665974177
Energy: 2.182238044914133
Energy: 0.7762940665962753
Energy: 1.8897102140861752
Energy: 0.7723818356506185
Energy: 2.5782412706885944
Energy: 0.772381835649476
Energy: 1.8866248391266047
Energy: 0.7733326472430773
Energy: 2.185816212031514
Energy: 0.7733326472253695
Energy: 2.1016746655559038
Energy: 0.9236455462694286
Energy: 1.774637910428678
Energy: 0.9236455462717134
Energy: 1.9808664658150696
Energy: 0.9256740727867674
Energy: 2.200887348197041
Energy: 0.9256740727856251
Energy: 2.2892433192714496
Energy: 1.145289687362165
Energy: 1.7790627187672794
Energy: 1.145289687362165
Energy: 2.494671866804873
Energy: 0.7755958954111618
Energy: 1.7812376435144983
Energy: 0.7755958954128755
Energy: 1.9780461332631076
Energy: 0.778415482213521
Energy: 1.4737749076771613
Energy: 0.7784154821906722
Energy: 2.6725962396363148
Energy: 0.7755164022041315
Energy: 1.4743732564662175
Energy: 0.7755164022041315
Energy: 2.757868006885587
Energy: 0.7773119661152947
Energy: 1.4738244070893303
Energy: 0.7773119661141522
Energy: 2.380464589021969
Energy: 0.7803373307105907
Energy: 1.0228721718325264
Energy: 0.7803373307100194
Energy: 2.855301476410487
Energy: 0.775461270085251
Energy: 1.024477700985434
Energy: 0.7754612700829663
Energy: 2.757746204047842
Energy: 0.7789410259022623
Energy: 1.0288138480363223
Energy: 0.7789410259011458
Energy: 2.3779381618198374
Energy: 0.778250619968492
Energy: 0.7803438977813971
Energy: 0.778250619968492
Energy: 2.8530199172736492
Energy: 0.7759834037359642
Energy: 0.7767402466458588
Energy: 0.7759834037336792
Energy: 2.5723567595485695
Energy: 0.7786716336095608
Energy: 0.7787209123625818
Energy: 0.7786716336089896

minimum gb energy = 0.7718857226710399 eV
minimum distance =  2.30686827759189 Angstroms
sigma value = 113


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

Energy: 0.01849418844403046
Energy: 0.01951487711317164
Energy: 2.121869740653227
Energy: 0.6643761383690754
Energy: 0.019479694220910927
Energy: 0.17546783642348737
Energy: 1.6168673716246833
Energy: 0.1754678364238777
Energy: 0.019236975872647243
Energy: 0.1730859651644211
Energy: 1.6148866264926285
Energy: 0.173085965163982
Energy: 0.021026353339384234
Energy: 0.1758831702378679
Energy: 1.619713485268548
Energy: 0.1758831702378679
Energy: 1.6174270651583411
Energy: 0.17530917348953276
Energy: 1.6190792175199378
Energy: 0.17530917348997185
Energy: 0.019102117342294854
Energy: 0.1729976769833512
Energy: 1.6149160722105766
Energy: 0.1729976769833512

minimum gb energy = 0.01849418844403046 eV
minimum distance =  2.53271813701367 Angstroms
sigma value = 1