Model name: model_name=EAM_Dynamo_MendelevHanSon_2007_VFe__MO_249706810527_005
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=3.65840482711792
cohesive_energy=3.892708402587109
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=[9.728656848143099e-20, 1.88034654119508e-19, 2.46448412018514e-19, 3.0013574884721997e-19, 3.53749385550762e-19, 4.04035301385486e-19, 4.47627323243358e-19, 4.83900602237118e-19, 5.13207617226246e-19, 5.36365478294082e-19, 5.547841008785459e-19, 5.6960423474304595e-19, 5.81623763851314e-19, 5.91429084851394e-19, 5.994543876110999e-19, 6.05988063924552e-19, 6.11212761928026e-19, 6.152774840484839e-19, 6.18321619653084e-19, 6.20518203818298e-19, 6.22025852030892e-19, 6.22975942774854e-19, 6.23475821884662e-19, 6.2363123301816e-19, 6.23448584881884e-19, 6.2283014470116e-19, 6.21650942698536e-19, 6.197635786236839e-19, 6.170014261066679e-19, 6.132331066635e-19, 6.083721027559439e-19, 6.023222837859599e-19, 5.949218299135139e-19, 5.8584389710527e-19, 5.746863390260939e-19, 5.609316526232039e-19, 5.4365858633205e-19, 5.205039296174819e-19, 4.8676529405871e-19, 4.358769598096019e-19, 3.60251018331534e-19, 2.53707874347168e-19, 1.087472583797598e-19, -8.56725502792284e-20, -3.72307397502384e-19, -8.31367853205966e-19, -1.61714096376156e-18, -3.07928735994996e-18, -6.07359527123256e-18, -1.2797401885841339e-17, -2.9464348734586794e-17, -7.665966584232479e-17, -2.3832697866076797e-16]
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: 0.014658381311096508
Energy: -5.456253547990451
Energy: -4.291597575161047
Energy: -5.471599411441818
Energy: -5.496655599033452
Energy: 1.094917046697419
Energy: -5.41636462223439
Energy: 1.0949170466962281
Energy: -4.231822927069805
Energy: -5.375133136281297
Energy: 0.014658381311096508
Energy: -5.45223879651404
Energy: -5.433463856149091
Energy: 1.0949170466968408
Energy: -5.400935651515755
Energy: 1.0949170466950373

minimum gb energy = -5.496655599033452 eV
minimum distance =  2.53309981911025 Angstroms
sigma value = 1


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

Energy: 0.33775736920762417
Energy: 0.14686196359907505
Energy: 0.1991876448072429
Energy: 0.14686214094261818
Energy: -0.11910268843527265
Energy: 0.13689720365285266
Energy: 0.2110492824239311
Energy: 0.13689720365136718
Energy: 0.07575517450013573
Energy: -0.31296644298008325
Energy: 0.158768543807975
Energy: -0.3129664429949379
Energy: 0.038152384488870796
Energy: 0.28404774312764036
Energy: 0.2106437363494001
Energy: 0.2840477431268977
Energy: 0.20130000092989897
Energy: 0.32555094736758233
Energy: -0.056714991031581466
Energy: 0.32555094737203866
Energy: 0.12240836389410946
Energy: 0.17253353821370573
Energy: 0.07915236566082108
Energy: 0.17253322065426083
Energy: 0.01926165696436491
Energy: 0.49911330078577787
Energy: 0.17633933642873917
Energy: 0.499113300793948
Energy: 0.15341855757737324
Energy: 0.45232928481184576
Energy: 0.09465652921907639
Energy: 0.45232928479921924
Energy: 0.03230334938634079
Energy: 0.5977359733210863
Energy: 0.001907796878038052
Energy: 0.5977359733218292
Energy: 0.07093838490067848
Energy: 0.5383135769506031
Energy: -0.020720975364498514
Energy: 0.5383135755623297
Energy: 0.06455040955874009
Energy: 0.6631878018272823
Energy: 0.014131521519274014
Energy: 0.6631878018257967
Energy: -0.000752165857572935
Energy: 0.050500491693015785
Energy: -0.06361150033164499
Energy: 0.05050034818531187
Energy: -0.08107803285978263
Energy: 0.5671670968406418
Energy: 0.2316482022798529
Energy: 0.5671670968384137
Energy: 0.23134936219000338
Energy: -0.1746771436288078
Energy: 0.26654440936790735
Energy: -0.174677091088062
Energy: 0.2986573326487695
Energy: 0.33039682534889203
Energy: 0.047672509450062475
Energy: 0.33039682534369286
Energy: 0.189530615461691
Energy: 0.2306830633573895
Energy: 0.2293082706422322
Energy: 0.23068306632032876
Energy: -5.296598985766843
Energy: -0.2944007127901563
Energy: 0.2051327189052165
Energy: -0.2944007127879281
Energy: 0.22616390373623427
Energy: -0.35116645798288326
Energy: 0.15205156814306733
Energy: -0.35116645798288326
Energy: 0.26515425026805833
Energy: -0.35313197788445816
Energy: 0.07732267967710117
Energy: -0.35313197788222994
Energy: 0.06577214003703644
Energy: -4.171713130624506
Energy: 0.07471136711782861
Energy: -4.281199967514455
Energy: -0.056730144376136854
Energy: 0.298838806876591
Energy: 0.20107171534005885
Energy: 0.2988388040376548
Energy: 0.0446923247361989
Energy: 0.32111815640115743
Energy: 0.23482808988181267
Energy: 0.321118156399672
Energy: 0.17729602327936178
Energy: 0.5238843676521296
Energy: 0.011820092617494265
Energy: 0.5238843676528725
Energy: 0.1108541187706093
Energy: -0.11164192127066902
Energy: 0.011015570608254262
Energy: -0.11164205309140185
Energy: -0.043926707907304886
Energy: 0.6115375769032781
Energy: 0.011579923133273039
Energy: 0.6115375768995645
Energy: 0.047833887747080875
Energy: 0.031365383415681417
Energy: 0.09321129644021771
Energy: 0.03136515793679096
Energy: 0.0017981134605398478
Energy: 0.6652523862876708
Energy: 0.06329672651833163
Energy: 0.6652523862884137
Energy: -0.06572700497082164
Energy: 0.044613458701787324
Energy: 0.10942598898416211
Energy: 0.04461352560142629
Energy: 0.2951767173629702
Energy: 0.586044393736633
Energy: -0.08077978531379335
Energy: 0.5860443937358903
Energy: 0.28192579249931754
Energy: 0.25641064676725717
Energy: 0.23640490810216375
Energy: 0.25641022627626886
Energy: 0.026805384552789694
Energy: 0.33151925476442523
Energy: 0.30371526562805834
Energy: 0.3315192547673962
Energy: 0.22886549554382857
Energy: 0.347509217356232
Energy: 0.18953612826484326
Energy: 0.3475092173644021
Energy: 0.2063209683000104
Energy: -0.323077849617687
Energy: -0.03584995918662849
Energy: -0.32307784963328445

minimum gb energy = -5.296598985766843 eV
minimum distance =  2.29551203002073 Angstroms
sigma value = 1


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

Energy: 0.35072645294552274
Energy: 0.18101744565849123
Energy: 0.27586034108059493
Energy: 0.18101744956835153
Energy: 0.04888771838961737
Energy: 0.2477989061037056
Energy: -0.026014287039216558
Energy: 0.247798906107093
Energy: 0.10389909374925434
Energy: 0.05278253841945572
Energy: 0.270598408434189
Energy: 0.05278253841098724
Energy: 0.15429898706491751
Energy: 0.19694399891251885
Energy: -0.01769491874057666
Energy: 0.19694399893877113
Energy: 0.22811676283140137
Energy: 0.3732011924612869
Energy: 0.27650404295893366
Energy: 0.3732014852933232
Energy: 0.2755599730315734
Energy: 0.42640601822137286
Energy: 0.29923800357112196
Energy: 0.4264060183500553
Energy: 0.23557547176857285
Energy: 0.6301613482282566
Energy: 0.25263826077517043
Energy: 0.6301613482324907
Energy: 0.17947663112697565
Energy: 0.5899819477776451
Energy: 0.16396321651411003
Energy: 0.5899819477996247
Energy: 0.04333639456644361
Energy: 0.7269050852292323
Energy: 0.17580770395313217
Energy: 0.726905085230926
Energy: 0.24450736350713745
Energy: 0.7168844531250492
Energy: 0.16118933384681683
Energy: 0.7168844531284366
Energy: 0.35161371813605985
Energy: 0.6455276760738081
Energy: 0.08685963473086064
Energy: 0.6455276760721145
Energy: 0.3360450288047939
Energy: 0.4271521121263086
Energy: 0.2855377381557561
Energy: 0.42715211232266187
Energy: 0.22905839891353316
Energy: 0.42983367147539586
Energy: 0.3679179088795839
Energy: 0.4298336714745491
Energy: 0.2937262838842042
Energy: 0.4428313246943501
Energy: 0.26550222202854795
Energy: 0.44283131087905864
Energy: 0.29246484251498556
Energy: 0.00027989929089068227
Energy: 0.1515411289702303
Energy: 0.0002798992900438339
Energy: 0.09029855658361309
Energy: -0.08989552910916229
Energy: 0.28029972021485033
Energy: -0.0898955291023875
Energy: 0.1273255320666684
Energy: -0.03149415486313676
Energy: 0.35284561405130654
Energy: -0.03149415487580099
Energy: 0.0930325009843991
Energy: -0.08896128426108514
Energy: 0.2097247750490878
Energy: -0.08896128426108514
Energy: 0.32862840381441843
Energy: 0.42417595381065787
Energy: 0.27238457013788586
Energy: 0.42417595381065787
Energy: -0.01579386680064886
Energy: 0.38468023778332044
Energy: 0.30740347167960264
Energy: 0.3846802374870776
Energy: 0.22056423109052606
Energy: 0.6284411042089538
Energy: 0.25675201787617646
Energy: 0.6284411042072601
Energy: 0.09208908596000973
Energy: 0.5566758200950644
Energy: 0.19877598839429114
Energy: 0.5566758200942176
Energy: 0.0904028602304307
Energy: 0.7221786369242182
Energy: 0.1605911346252675
Energy: 0.7221786369225245
Energy: 0.14066685447369856
Energy: 0.6803917814767131
Energy: 0.1621284482481093
Energy: 0.6803917814877222
Energy: 0.34448173326364506
Energy: 0.6377962869768128
Energy: 0.08409950117371938
Energy: 0.6377962869802002
Energy: 0.35411919488645316
Energy: 0.328110377024781
Energy: 0.2894788341442999
Energy: 0.32811037973519613
Energy: 0.22541883937167587
Energy: 0.44266470890720055
Energy: 0.37579975907476065
Energy: 0.44266470890296633
Energy: 0.2872809472531151
Energy: 0.45385226771026743
Energy: 0.28565104075207814
Energy: 0.45385226770688003
Energy: 0.29166564103954395
Energy: 0.0028618420176452983
Energy: 0.15368650967475825
Energy: 0.0028618420218795397

minimum gb energy = -0.08989552910916229 eV
minimum distance =  2.26786600272975 Angstroms
sigma value = 25


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

Energy: -2.3448863836922436
Energy: 0.2372574681620402
Energy: 0.40228950000171837
Energy: 0.23725745453459957
Energy: 0.15101858920282132
Energy: 0.36820650823488627
Energy: 0.2726524349650253
Energy: 0.3682065082673729
Energy: 0.22358840153350734
Energy: 0.12867351612013625
Energy: 0.4390958369426367
Energy: 0.12867351612308955
Energy: -2.5808807616424394
Energy: 0.444320927519733
Energy: 0.33548295057690325
Energy: 0.44432093511823195
Energy: 0.3466155908594689
Energy: 0.5427889571308253
Energy: 0.4442328072065849
Energy: 0.5427889595032391
Energy: 0.285367557898407
Energy: 0.44512653204172287
Energy: 0.3184092099951766
Energy: 0.4451265320053433
Energy: 0.39976659100803075
Energy: 0.7844039664532294
Energy: 0.5046867232750422
Energy: 0.7844039664581516
Energy: 0.3264252205155623
Energy: 0.6442464817815622
Energy: 0.33144805694947105
Energy: 0.6442464817805776
Energy: 0.4042115142041551
Energy: 0.7868584494295227
Energy: 0.293520726866187
Energy: 0.7868584494305072
Energy: 0.3548769935385473
Energy: 0.7494812310263884
Energy: 0.33116739821905083
Energy: 0.7494812310263884
Energy: 0.36701333800975217
Energy: 0.5632989153196896
Energy: 0.43222111525080537
Energy: 0.5632989153157518
Energy: 0.3708411970972546
Energy: 0.5169024465555605
Energy: 0.3535681192214303
Energy: 0.5169024465545762
Energy: 0.10125955595571186
Energy: 0.15830426003855727
Energy: 0.3778693172528838
Energy: 0.15830426003461948
Energy: 0.34033104455242885
Energy: 0.3259002478154109
Energy: -2.7444551285193155
Energy: 0.3259002478124575
Energy: 0.3902876951820414
Energy: 0.10556002395815486
Energy: 0.13116180726173493
Energy: 0.10556002400930106
Energy: -2.587402212733763
Energy: 0.13458962650965103
Energy: -2.5186454418860715
Energy: 0.13458962562991855
Energy: 0.4371121566222926
Energy: 0.5256789416290543
Energy: 0.35266691667429495
Energy: 0.5256789416408676
Energy: 0.426616457888113
Energy: 0.5366307159254976
Energy: 0.29249459095888275
Energy: 0.5366307153478991
Energy: 0.4406247325090219
Energy: 0.7888750168938602
Energy: 0.40028942712325516
Energy: 0.7888750168938602
Energy: 0.3269657137555879
Energy: 0.7592205719437429
Energy: 0.38844570301412173
Energy: 0.7592205719427585
Energy: 0.29046799490086384
Energy: 0.7826156691529417
Energy: 0.4050561724462835
Energy: 0.7826156691539261
Energy: 0.2816914827135311
Energy: 0.7500333573571901
Energy: 0.25415759138001537
Energy: 0.7500333573640812
Energy: 0.4337110734133897
Energy: 0.5814804756439391
Energy: 0.3664348928242842
Energy: 0.5814804756429547
Energy: 0.35186914870305624
Energy: 0.5519049202137501
Energy: 0.3385536289894656
Energy: 0.5519049202147346
Energy: 0.37837453595969267
Energy: 0.22917853837121344
Energy: 0.25472274493671265
Energy: 0.2291785383682601

minimum gb energy = -2.7444551285193155 eV
minimum distance =  2.27043821127623 Angstroms
sigma value = 9


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

Energy: 0.5599475467699913
Energy: 0.34012466377285716
Energy: 0.3984238024299316
Energy: 0.3401246651380326
Energy: 0.2975468007054643
Energy: 0.526313615432887
Energy: 0.449055341473287
Energy: 0.5263136154352357
Energy: 0.32929528461298685
Energy: 0.2856388157035725
Energy: 0.4066401127756924
Energy: 0.28563886116781706
Energy: 0.32032688348621013
Energy: 0.6780739358750978
Energy: 0.4395156335222729
Energy: 0.6780739358739234
Energy: 0.6055666064968299
Energy: 0.7069277551050522
Energy: 0.5564994074478764
Energy: 0.7069277551015292
Energy: 0.3957232240957759
Energy: 0.6756580474273992
Energy: 0.4476569050046591
Energy: 0.6756580473968657
Energy: 0.6652022712351436
Energy: 0.8842612921726042
Energy: 0.5739202079516348
Energy: 0.8842612921702554
Energy: 0.4371355750876801
Energy: 0.8647612559045409
Energy: 0.367544566120606
Energy: 0.8647612558822545
Energy: 0.5652488933159573
Energy: 0.6973522492491503
Energy: 0.46561489649338106
Energy: 0.6973522492444528
Energy: 0.44803208369313163
Energy: 0.699202257530822
Energy: 0.46935581773274987
Energy: 0.6992022575296476
Energy: 0.5011159237145161
Energy: 0.2567714959642709
Energy: -1.3832155797966534
Energy: 0.24823746553780662
Energy: 0.34309127225572994
Energy: 0.2726403419594125
Energy: 0.31268120349740586
Energy: 0.2726403413595776
Energy: 0.2932632299231535
Energy: 0.3087543352828087
Energy: -1.3931123329925206
Energy: 0.3087543352816343
Energy: 0.3238980810341064
Energy: 0.2678019553909101
Energy: 0.40570977422329546
Energy: 0.2678016456235208
Energy: 0.6033071485770775
Energy: 0.695513187460288
Energy: 0.5493975732214953
Energy: 0.6955131874649854
Energy: 0.4022025008158383
Energy: 0.6800465988961624
Energy: 0.4661103448733518
Energy: 0.6800465988421681
Energy: 0.656256516038765
Energy: 0.8715259467940161
Energy: 0.5713864857170586
Energy: 0.8715259467998879
Energy: 0.6699366678091485
Energy: 0.8860387479083902
Energy: 0.40034778085375855
Energy: 0.8860387479060414
Energy: 0.5647385221038348
Energy: 0.7005949498440573
Energy: 0.46844018749853245
Energy: 0.7005949498276162
Energy: 0.5892172873035629
Energy: 0.711498401383356
Energy: 0.47354183590124543
Energy: 0.7114984013845304
Energy: 0.4934677546041006
Energy: 0.316537034982763
Energy: 0.34614186741626274
Energy: 0.3165370346904789

minimum gb energy = -1.3931123329925206 eV
minimum distance =  2.29553722243687 Angstroms
sigma value = 25


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

Energy: 0.9119372078767359
Energy: 0.5496578084680201
Energy: 0.6627712363848067
Energy: 0.5496527703190344
Energy: 0.5289741261682527
Energy: 0.7023697507587835
Energy: 0.5406133438735452
Energy: 0.7023697507587835
Energy: 0.5689302571361502
Energy: 0.5272829367504057
Energy: 0.5940661991712535
Energy: 0.5272829367068688
Energy: 0.5697983408772164
Energy: 0.7091549788137568
Energy: 0.7016670505448295
Energy: 0.7091549788137568
Energy: 0.8055480827143228
Energy: 0.8753198692311652
Energy: 0.6916759525271492
Energy: 0.8753198692311652
Energy: 0.5688889100806561
Energy: 0.8651516021620657
Energy: 0.6973196748375109
Energy: 0.8651516021606133
Energy: 0.7007800692801083
Energy: 0.8601425833273556
Energy: 0.6960704330247947
Energy: 0.8601425833302603
Energy: 0.705858602873257
Energy: 0.8538729348296632
Energy: 0.6587610731587984
Energy: 0.8538729348296632
Energy: 0.5600568089366889
Energy: 0.5419073053268151
Energy: 0.4612341347212907
Energy: 0.5419073053398861
Energy: 0.5591008860420632
Energy: 0.5353257134882538
Energy: 0.45686797174951915
Energy: 0.5353257134809921
Energy: 0.5957255570837197
Energy: 0.7044403190796042
Energy: 0.5725741860335758
Energy: 0.7044403190839613
Energy: 0.6058366408172997
Energy: 0.5336957203800289
Energy: 0.5814656383726713
Energy: 0.5336957203843857
Energy: 0.6946382512531994
Energy: 0.8555734114832948
Energy: 0.803881140831769
Energy: 0.8555734114803901
Energy: 0.6912402503384008
Energy: 0.8650204945044607
Energy: 0.5646488578150068
Energy: 0.8650204945015562
Energy: 0.6957736561971837
Energy: 0.858414025627822
Energy: 0.707497504873975
Energy: 0.8584140256263696
Energy: 0.6873630981857557
Energy: 0.8564631861829708
Energy: 0.7103113043977416
Energy: 0.8564631861829708
Energy: 0.45512084475363945
Energy: 0.5364809758521077
Energy: 0.571193663764451
Energy: 0.5364809758289033

minimum gb energy = 0.45512084475363945 eV
minimum distance =  2.29507149136919 Angstroms
sigma value = 17


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

Energy: 0.5607076668309628
Energy: -0.054419931821963224
Energy: 0.5767644392029788
Energy: -0.054419471956195974
Energy: 0.22929448368786082
Energy: 0.6046151097857193
Energy: 0.2590223024848135
Energy: 0.6046151097865416
Energy: 0.5932237590589059
Energy: 0.5999662728632017
Energy: 0.468108711384318
Energy: 0.5999662728607342
Energy: 0.5978410505975525
Energy: 0.7625474320199136
Energy: 0.5761206677461479
Energy: 0.7625474320141559
Energy: 0.4605949378267587
Energy: 0.9304796436483548
Energy: 0.6583761317574748
Energy: 0.9304796436483548
Energy: 0.5742152375313482
Energy: 1.0279207640783208
Energy: 0.589281393245694
Energy: 1.0279207640791432
Energy: 0.5107432757322314
Energy: 0.5939218866459873
Energy: 0.6027717919340992
Energy: 0.5939218866484549
Energy: 0.4478167942808849
Energy: 0.595103532189775
Energy: 0.5310367738618881
Energy: 0.5951035321922428
Energy: 0.5024196080803749
Energy: 0.41389040415630785
Energy: 0.5589975508426251
Energy: 0.4138904041686458
Energy: 0.5127704882056218
Energy: 0.4381695321028086
Energy: 0.5458488124545393
Energy: 0.4381695321126416
Energy: 0.6176996651444777
Energy: 0.8688214993177112
Energy: 0.608907991018138
Energy: 0.8688214993177112
Energy: 0.6074331005992306
Energy: 0.8085163590613283
Energy: 0.655056669706993
Energy: 0.8085163590596833
Energy: 0.5948653797531889
Energy: 0.8575557760100568
Energy: 0.6781321585583425
Energy: 0.8575557760117017
Energy: 0.5015054210375501
Energy: 0.7863681020822048
Energy: 0.5764531374683308
Energy: 0.786368938259386
Energy: 0.4429602168994541
Energy: 0.1631387061541718
Energy: 0.5395192447685986
Energy: 0.16313870632847383
Energy: 0.47776819445314006
Energy: 0.08314586643431392
Energy: 0.5311673791084688
Energy: 0.08314586644089418
Energy: 0.5727350168105397
Energy: 0.5798233491520492
Energy: 0.5509861762458218
Energy: 0.5798252957401305
Energy: 0.5201063162802539
Energy: 0.5982388959691775
Energy: 0.6041520279015192
Energy: 0.598238895971645
Energy: 0.5927930884028733
Energy: 0.9533266108832071
Energy: 0.5975285798520704
Energy: 0.9533266108815621
Energy: 0.7497306639935926
Energy: 0.975938907480232
Energy: 0.6004688521616222
Energy: 0.9759389074794096
Energy: 0.6549218941062036
Energy: 0.5441883377266598
Energy: 0.5541706544152388
Energy: 0.5441864570385199
Energy: 0.5313367714407294
Energy: 0.4868987087717787
Energy: 0.5085031011158594
Energy: 0.48689870877260133
Energy: 0.5452753899529278
Energy: 0.11623871173611289
Energy: 0.4733600101460913
Energy: 0.11623871168429338
Energy: 0.54879796302278
Energy: 0.49957991483897507
Energy: 0.5605578010243005
Energy: 0.49957991483815245
Energy: 0.5753369268596115
Energy: 0.9373723265082531
Energy: 0.5388515918194029
Energy: 0.9373723265057855
Energy: 0.6427208766360307
Energy: 0.7962428417312479
Energy: 0.6107765519551374
Energy: 0.7962428356077602
Energy: 0.6021499593882164
Energy: 0.9764308491229275
Energy: 0.5766989504241921
Energy: 0.97643084912704
Energy: 0.5978863606427484
Energy: 0.8318627197177815
Energy: 0.47912433102141855
Energy: 0.831862719716959
Energy: 0.2976079663310065
Energy: 0.8357346757009411
Energy: 0.6055599293173909
Energy: 0.8357346754477134
Energy: 0.5228794654875115
Energy: 0.08759484544743402
Energy: 0.08756520084454798
Energy: 0.08759484546717479

minimum gb energy = -0.054419931821963224 eV
minimum distance =  2.25605459134312 Angstroms
sigma value = 53


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

Energy: 1.3264437476785544
Energy: 0.6982577818099013
Energy: 0.8504355372762321
Energy: 0.6982861318004434
Energy: 0.6806347913230569
Energy: 0.7140325292384935
Energy: 0.7008817510812333
Energy: 0.7140325292517486
Energy: 0.7143655228605977
Energy: 0.722187014914343
Energy: 0.796784470807462
Energy: 0.7221870149162366
Energy: 0.718681903978652
Energy: 0.7996267045786817
Energy: 0.6934582999270339
Energy: 0.7996267045748944
Energy: 0.6839475183149268
Energy: 0.7980689168533539
Energy: 0.8283652342785552
Energy: 0.7980689168533539
Energy: 0.6859420850319016
Energy: 0.8353129645440153
Energy: 0.787142280616138
Energy: 0.8353129645421217
Energy: 0.6698726692045094
Energy: 0.6831953405027081
Energy: 0.7296243876891569
Energy: 0.6831953405064954
Energy: 0.6670555248834875
Energy: 0.7074972914865754
Energy: 0.7096135462884697
Energy: 0.7074972914865754
Energy: 0.7119166176355073
Energy: 0.7095270571890249
Energy: 0.7947412310014035
Energy: 0.7095270571871313
Energy: 0.7465036433282674
Energy: 0.7079208033433113
Energy: 0.6941949607579281
Energy: 0.7079208035306926
Energy: 0.7206706158609522
Energy: 0.8348231534637788
Energy: 0.7881635642099238
Energy: 0.8348231534694597
Energy: 0.7138465440867283
Energy: 0.7956708903070286
Energy: 0.8599016376801524
Energy: 0.7956708903070286
Energy: 0.6663461147887438
Energy: 0.7063899503524214
Energy: 0.7409661005289755
Energy: 0.7063899503562084

minimum gb energy = 0.6663461147887438 eV
minimum distance =  2.29641833258957 Angstroms
sigma value = 9


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

Energy: 0.6445303214258116
Energy: 0.4116974875362997
Energy: 0.6820345141399663
Energy: 0.4110326229407941
Energy: 0.5918533329309531
Energy: -0.04127988241323458
Energy: 0.5686865848955946
Energy: -0.04147083100054826
Energy: 0.6128733084648685
Energy: 0.6026674026899733
Energy: 0.39252089879360136
Energy: 0.6026674025911525
Energy: 0.599295926194889
Energy: 0.6035053791691419
Energy: 0.5599113159217451
Energy: 0.6035053787712465
Energy: 0.6267923316988548
Energy: -0.489657708391992
Energy: 0.14856188428069214
Energy: -0.4919151588899766
Energy: 0.6012558417951118
Energy: 0.892321570385983
Energy: -0.2618182451234852
Energy: 0.8923215703754701
Energy: 0.6115814304489111
Energy: 0.4487746220595299
Energy: 0.5368278875916668
Energy: 0.448774622058829
Energy: 0.6653795429758975
Energy: 0.46161512150430983
Energy: 0.5691515331029227
Energy: 0.46161512150430983
Energy: 0.6080974091896504
Energy: 0.9366684480426348
Energy: 0.6210760317107814
Energy: 0.9366684472117374
Energy: 0.855535646086808
Energy: 0.8425441824406845
Energy: 0.47501658297066096
Energy: 0.8425441826172367
Energy: 0.6361470082763405
Energy: -0.5396490027881329
Energy: 0.6646367731208277
Energy: -0.5396499538620507
Energy: 0.6229117213980648
Energy: 0.5488748664226205
Energy: 0.46881874422562125
Energy: 0.5488748660260631
Energy: 0.6204182093799523
Energy: -0.4435984910953716
Energy: 0.5643852073209521
Energy: -0.4435984909118109
Energy: 0.07663045911199085
Energy: -0.559692546319241
Energy: 0.6061977054969095
Energy: -0.5596925464845796
Energy: 0.5738993959581545
Energy: 0.8691612317914171
Energy: 0.6131796536122508
Energy: 0.8691612317900154
Energy: 0.545946867441549
Energy: 1.0018532087230618
Energy: 0.5694801952584513
Energy: 1.0018532087265661
Energy: -0.04068513185690879
Energy: 1.0923743719650103
Energy: 0.5949271325129225
Energy: 1.092374371964309
Energy: -0.002236440572125151
Energy: -0.1580180174983087
Energy: 0.6402830618630315
Energy: -0.14634715620552796
Energy: 0.5556395462755919
Energy: -0.23943291891422414
Energy: -0.07489284812188408
Energy: -0.19525823180485744
Energy: 0.38791475271786874
Energy: 0.6022505855253424
Energy: 0.604419692982151
Energy: 0.6022505911367196
Energy: 0.5810980193752446
Energy: 0.6044547002230768
Energy: -0.06495855547151652
Energy: 0.60445470008367
Energy: 0.15209118306997754
Energy: -0.42581547734933717
Energy: -0.41301573792644736
Energy: -0.43698904050451287
Energy: 0.14024876368871264
Energy: 0.8097143958134068
Energy: 0.5958565001768975
Energy: 0.8097143973406372
Energy: 0.5613107504577494
Energy: -0.16127873450091834
Energy: 0.6261953831412355
Energy: -0.15306848703897058
Energy: 0.5550022447275185
Energy: -0.2087691013622785
Energy: 0.6442223974389654
Energy: -0.20876910136782165
Energy: 0.6447594441465045
Energy: 0.9438130468557469
Energy: 0.5998642740636353
Energy: 0.9438130468333193
Energy: 0.4788338135756933
Energy: 0.9475845716372382
Energy: 0.7392975616184241
Energy: 0.9475845716386398
Energy: 0.6651906390416078
Energy: 0.8611297331519813
Energy: 0.6410975102465771
Energy: 0.8611297439900927
Energy: 0.4630871075468216
Energy: -0.2675527977154769
Energy: 0.590191637094552
Energy: -0.2675527979753673
Energy: -0.3322316346122888
Energy: -0.4626905168950422
Energy: 0.6236251656559019
Energy: -0.4626905172929376
Energy: 0.5990946898410223
Energy: -0.46556780987572116
Energy: 0.6053569168537647
Energy: -0.46558464439082964
Energy: 0.61637649729727
Energy: 0.8168367860243986
Energy: 0.0033622440489547
Energy: 0.816836786022997
Energy: 0.5644626646469568
Energy: 0.9962622611557023
Energy: 0.5425476328763593
Energy: 0.9962622611718219
Energy: 0.6115851565592412
Energy: 1.0957730864914221
Energy: 0.624664213595583
Energy: 1.0957730864900208
Energy: 0.6447836200667015
Energy: -0.15264330451605077
Energy: -0.053228442895044706
Energy: -0.13787452531776043

minimum gb energy = -0.5596925464845796 eV
minimum distance =  2.21060970260345 Angstroms
sigma value = 73


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

Energy: 0.6174372293434508
Energy: -0.3191155079307539
Energy: -0.19904964871865283
Energy: -0.3027350517351019
Energy: 0.5144692543889408
Energy: 0.7115999738200449
Energy: 0.531642772112673
Energy: 0.7116028518940576
Energy: 0.5481006876846084
Energy: 0.5284058188223736
Energy: 0.6057747980894701
Energy: 0.5284058194070153
Energy: 0.530096301693245
Energy: 0.5544315150006967
Energy: 0.5206692685250659
Energy: 0.5544315149728973
Energy: 0.5309916994388469
Energy: 0.8954735036459479
Energy: 0.4654339303872732
Energy: 0.8954735036470599
Energy: 0.5357111399905414
Energy: 0.9106776609904841
Energy: 0.5109164290230566
Energy: 0.9106776609838124
Energy: 0.5892301300559982
Energy: 0.7518106646456553
Energy: 0.618663499384056
Energy: 0.7518106646323369
Energy: 0.5903768449646266
Energy: 0.5630355412129308
Energy: 0.6456005618247453
Energy: 0.5630355412184906
Energy: 0.5903385331331102
Energy: 0.9943738719619188
Energy: 0.4352708260120537
Energy: 0.9943738719474886
Energy: 0.714034923225883
Energy: 0.8806992888775423
Energy: 0.5713020054168828
Energy: 0.8806992892965768
Energy: 0.5741110150356882
Energy: 0.6067244724090863
Energy: 0.5630735025928089
Energy: 0.606724472411285
Energy: 0.6026410849364683
Energy: 0.6092035140732658
Energy: 0.6423472038426362
Energy: 0.6092035140243645
Energy: 0.6093704710628134
Energy: 0.7957032556842022
Energy: 0.6132892954957498
Energy: 0.7957032556908739
Energy: 0.6144719055130589
Energy: 0.763793013688788
Energy: 0.6301848979530631
Energy: 0.7637930136854522
Energy: 0.6840094283058904
Energy: 0.7512137405951854
Energy: 0.5700250517429437
Energy: 0.7512137404751436
Energy: 0.455361926983726
Energy: 0.8701390303322049
Energy: 0.5582521667581067
Energy: 0.8701390304922775
Energy: 0.5605568118317401
Energy: 1.0315966664783507
Energy: 0.6221387624449458
Energy: 1.0315966664739027
Energy: 0.357749793778947
Energy: 0.3547741800163464
Energy: 0.5904828577859389
Energy: 0.35477417985629905
Energy: 0.6142362666747887
Energy: 0.8280209968383211
Energy: 0.5911593347437197
Energy: 0.8280209968316493
Energy: 0.4871334575573695
Energy: 0.8087060484946136
Energy: 0.5308683320165621
Energy: 0.8087060484946136
Energy: 0.5188771766298668
Energy: 0.7585486597293032
Energy: 0.5823818135443631
Energy: 0.758548659733751
Energy: 0.6933195822072873
Energy: 0.5111303232043172
Energy: 0.5584774764653578
Energy: 0.5111303235488751

minimum gb energy = -0.3191155079307539 eV
minimum distance =  2.25773637306485 Angstroms
sigma value = 7


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

Energy: 0.07574756653705259
Energy: -0.1028378182554259
Energy: -0.06345018021744532
Energy: -0.10294077179403946
Energy: -0.3686749279979466
Energy: 1.0382582509267617
Energy: -0.22220039477937234
Energy: 1.0382582509267617
Energy: 0.08465698626552698
Energy: 0.018982385230057155
Energy: 0.052291211370200694
Energy: 0.020707783077992554
Energy: 0.5732804318363519
Energy: -0.0077928187998811274
Energy: 0.10546734593675174
Energy: -0.007792802087843687
Energy: 0.08248477411211523
Energy: 0.013481965233778363
Energy: 0.6120729400107879
Energy: 0.013481965284064477
Energy: -0.21170738288507968
Energy: 0.8527400884535817
Energy: 0.6176124878993848
Energy: 0.8527400884582995
Energy: 0.2185357951113808
Energy: 0.17110753671665338
Energy: -0.16122763699505296
Energy: 0.17110065157181087
Energy: 0.1322344763302268
Energy: 0.04192943668107439
Energy: 0.4902719588994682
Energy: 0.04192944572946534
Energy: -0.20804685092412747
Energy: -0.23208749055402217
Energy: 0.5579288822122095
Energy: -0.23208749443023446
Energy: -0.11330164354582975
Energy: 0.9777591911754285
Energy: -0.31106251004678664
Energy: 0.9777591911652069
Energy: 0.12050950056854164
Energy: 0.07133190671708398
Energy: 0.11022284403505314
Energy: 0.0713317434708132
Energy: -0.061386867835604285
Energy: -0.05675103143528552
Energy: 0.3665708445727969
Energy: -0.056751031434499236
Energy: -0.10079758233519816
Energy: 0.7605493999731604
Energy: -0.3061348774958053
Energy: 0.760549398020115
Energy: -0.060039158957492476
Energy: -0.019813446351150298
Energy: -0.3024786890661182
Energy: -0.019813446348791463
Energy: -0.3890057109664982
Energy: 0.8219593594043177
Energy: -0.3174607147269102
Energy: 0.8219593594043177
Energy: 0.5442518567344132
Energy: -0.06142937753223863
Energy: -0.07125513458789748
Energy: -0.0614293775448191
Energy: 0.09833551548530499
Energy: -0.2869925560865265
Energy: 0.17007843014547078
Energy: -0.2869925168473827
Energy: -0.0032155649992859823
Energy: 0.99857762261985
Energy: 0.22550819448791723
Energy: 0.9985776226253539
Energy: -0.07137465358522126
Energy: -0.022437971099126774
Energy: -0.047074154331834914
Energy: -0.022438219896228625
Energy: 0.014072846645588942
Energy: -0.08295019506249816
Energy: -0.10394895156120373
Energy: -0.08295017284582899
Energy: -0.25149097570537926
Energy: 0.8481979618833063
Energy: 0.1884031837463952
Energy: 0.8481979618833063
Energy: 0.11891164352656602
Energy: 0.8563654414268304
Energy: -0.3409892469738421
Energy: 0.8563654414244716
Energy: 0.21402229415093854
Energy: 0.08356023113194845
Energy: 0.034142282788902835
Energy: 0.08355863043959211
Energy: -0.11566461449836171
Energy: -0.023237982625283895
Energy: 0.5850991644784052
Energy: -0.023237973475462966
Energy: -0.09568867410438509
Energy: -0.021018707484262742
Energy: 0.1136152302761155
Energy: -0.0210187075479156
Energy: -0.17516890429751963
Energy: 1.0232616924207636
Energy: -0.2712464546481762
Energy: 1.0232616924207636
Energy: -0.22667064385660862
Energy: -0.20922918111205763
Energy: 0.26721924384459306
Energy: -0.20922918110969882
Energy: -0.3497941378771275
Energy: 0.9855825649290199
Energy: -0.26986450765200937
Energy: 0.9855825649298061
Energy: 0.029674069838229344
Energy: -0.3106483451131952
Energy: -0.10839591423809526
Energy: -0.3106483430964969
Energy: -0.31033433701898616
Energy: 0.8498245251527963
Energy: 0.5840584372359972
Energy: 0.8498245251472922
Energy: 0.7718992984056393
Energy: -0.06386518210348578
Energy: -0.31262145548841697
Energy: -0.0638651820877602

minimum gb energy = -0.3890057109664982 eV
minimum distance =  2.23670186468563 Angstroms
sigma value = 29


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

Energy: 0.9349979987604464
Energy: 0.9550047236369145
Energy: -0.2885814313688402
Energy: 0.9550047236382535
Energy: 0.09227475491646063
Energy: -0.18918303567401903
Energy: -0.24551914715230455
Energy: -0.30689147411886186
Energy: -0.23342742674865385
Energy: -0.15777174607757113
Energy: 0.7806378623718584
Energy: -0.15777144237886714
Energy: 0.6081534804799086
Energy: -0.01209433481828502
Energy: -0.16276632723188725
Energy: 0.011782250835594449
Energy: 0.08473351724644651
Energy: -0.22461308619518297
Energy: 0.6003253849720166
Energy: -0.2277007995115812
Energy: 0.0891559695242806
Energy: -0.17734619629296972
Energy: 0.5985830304244301
Energy: -0.1562805081086741
Energy: 0.7807521160653499
Energy: -0.17773479695226047
Energy: -0.20171091809022682
Energy: -0.17773502447219328
Energy: -0.18946827774715627
Energy: -0.17375775365947102
Energy: 0.6095997283441337
Energy: -0.17375772115640611
Energy: 0.6085707128735448
Energy: -0.20010145855290867
Energy: -0.20360807831460512
Energy: -0.19548973705691505

minimum gb energy = -0.30689147411886186 eV
minimum distance =  2.2775496090678 Angstroms
sigma value = 5


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

Energy: 0.5265331236685798
Energy: -0.4776589168558545
Energy: -0.15327400480211267
Energy: -0.1860245984374241
Energy: -0.3082701152673142
Energy: -0.31221648054922096
Energy: -0.48810657796311374
Energy: -0.31216834881608413
Energy: 0.27134033248927175
Energy: 0.16361434316908277
Energy: -0.14855380803408139
Energy: 0.16361434394787433
Energy: -0.16739517157907932
Energy: -0.4207625661581467
Energy: -0.2544908375840697
Energy: -0.3925208156639874
Energy: -0.10930493934442402
Energy: -0.3521521748696986
Energy: 0.2749370469701198
Energy: -0.3521521753960615
Energy: -0.3364130436737772
Energy: -0.24738608420125482
Energy: 0.2741291899482261
Energy: -0.24738598730473826
Energy: -0.2068478724557391
Energy: -0.11236910778844406
Energy: -0.2627060829018238
Energy: -0.11236299305190901
Energy: -0.31937478510486433
Energy: 0.18935933001390176
Energy: -0.019662316824387998
Energy: 0.18935812508701688
Energy: -0.08088255279681345
Energy: 0.6655461597306026
Energy: 0.19556030164556729
Energy: 0.6655461598879949
Energy: 0.49581714598532306
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Energy: -0.4875574607836476
Energy: -0.4311240059937351
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Energy: -0.3517417101746531
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Energy: 0.2703398127370551
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Energy: 0.27033569445480155
Energy: -0.19251529194038083
Energy: 0.5422354876198241
Energy: -0.25612754476237787
Energy: 0.5419702269495831
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Energy: -0.14328765142011335
Energy: -0.3101861540568771
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Energy: -0.2767253109121514
Energy: -0.1553916311044079
Energy: -0.27664199239506065
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Energy: 0.05433778612869859
Energy: -0.2823048833790972
Energy: 0.061989657313832824
Energy: 0.04855862659411911
Energy: -0.2833722731806275
Energy: 0.05218344121365955
Energy: -0.2797995340788591
Energy: -0.4202968032448286
Energy: -0.45624715318588416
Energy: 0.3759924378242306
Energy: -0.20693442133231382
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Energy: -0.27499489583358233
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Energy: -0.10671397023004094
Energy: -0.14138131061221917
Energy: -0.10671361954150306
Energy: -0.22959909295516423
Energy: 0.019792581644055264
Energy: 0.4269833053683849
Energy: -0.15183267260106204
Energy: 0.08927099898534921
Energy: 0.08836978752493672
Energy: -0.29344952673725033
Energy: 0.08836982481003787
Energy: 0.04252661689787936
Energy: -0.29571259964829566
Energy: -0.34527083477938425
Energy: -0.2957125985599186
Energy: -0.19551972162575232
Energy: -0.3282552865966292
Energy: -0.37895915017914095
Energy: -0.3282552865780946
Energy: 0.15908999925081937
Energy: -0.3123413429910717
Energy: -0.33285774638857457
Energy: -0.31234113436106026

minimum gb energy = -0.4956741072706361 eV
minimum distance =  2.21603836553733 Angstroms
sigma value = 1


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

Energy: 0.6469946061050723
Energy: -0.15201067466466786
Energy: -0.13312744334218046
Energy: -0.13187751781899476
Energy: 0.30910055020606997
Energy: -0.07314467920436184
Energy: -0.09446812799760315
Energy: -0.0731441817662439
Energy: -0.14972553855842677
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Energy: -0.2672885471818324
Energy: 0.43557346052255075
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Energy: 0.017429121613243666
Energy: -0.09861003238209304
Energy: 0.036614347361269645
Energy: -0.1661532708250642
Energy: 0.23454907572266173
Energy: -0.1661533880820249
Energy: -0.18885638068382152
Energy: -0.2072360653521788
Energy: 0.22875958493281837
Energy: -0.2072366895597966
Energy: -0.35608328272260803
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Energy: -0.13483513363398705
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Energy: -0.2731255845816204
Energy: 0.1836055748365281
Energy: -0.26590174366569963
Energy: 0.029146575633700402
Energy: 0.1544649987567066
Energy: 0.25203012646352907
Energy: 0.15451783437871758
Energy: 0.30085539548843876
Energy: -0.1662692393007615
Energy: -0.1464231234352105
Energy: -0.16623341223169422
Energy: -0.04920168554320191
Energy: -0.22635544126609133
Energy: -0.22164391762368774
Energy: -0.22635539773437843
Energy: 0.6166080169176136
Energy: -0.06081863924645701
Energy: -0.05870350127746121
Energy: -0.06081863924851092
Energy: 0.8809080624129129
Energy: -0.1561245466842648
Energy: -0.07698371327576328
Energy: -0.15612454917453603
Energy: -0.06966953032737712
Energy: -0.0925192569750447
Energy: -0.27870029899023485
Energy: -0.09251921446669197
Energy: -0.00152364780126009
Energy: -0.0407784776157174
Energy: -0.25768044552602426
Energy: -0.040785634126321114
Energy: -0.0875430933007084
Energy: 0.21097975308382888
Energy: -0.1639050475903946
Energy: 0.2109798109157427
Energy: -0.18252709035144027
Energy: -0.38965927416199253
Energy: 0.2598464862812699
Energy: -0.4229125242025608
Energy: -0.3483719058441884
Energy: -0.1842263990098085
Energy: 0.21321013277184533
Energy: -0.1881116005431217
Energy: -0.19513270911123495
Energy: -0.19396081084805336
Energy: -0.026037217330705735
Energy: -0.19396081054934966
Energy: -0.23454920547163657
Energy: -0.15661636692929284
Energy: 0.20545162186248442
Energy: -0.16270550770206293
Energy: 0.19886546461426816
Energy: 0.21634375522829016
Energy: 0.07536462029449233
Energy: 0.21634392618852757
Energy: 0.5971896213404984
Energy: -0.04143010063081571
Energy: -0.08021355687803294
Energy: -0.04143009946270169
Energy: -0.201483830247412
Energy: -0.0030426066283714744
Energy: -0.06498909979849299
Energy: -0.0030426066150210664
Energy: 0.8928003432494085
Energy: -0.4613148294936895
Energy: -0.23422905257466198
Energy: -0.4613146344784908

minimum gb energy = -0.4613148294936895 eV
minimum distance =  2.23604665302345 Angstroms
sigma value = 17


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

Energy: -0.23194229058100527
Energy: -0.7336345541841429
Energy: -0.9966285800655875
Energy: -0.8689899023094135
Energy: -0.7441916514368684
Energy: -0.8623992665317376
Energy: -0.8213400176564781
Energy: -0.6186941181843566
Energy: -0.5968418461429186
Energy: -0.9667218162225217
Energy: -0.6638721175063845
Energy: -0.9675413013694885
Energy: -0.10442047244510061
Energy: -0.5685279154648596
Energy: -0.8154181462175323
Energy: -0.7040227757377167
Energy: -0.22636323250580107
Energy: -1.0271247925312061
Energy: 0.2671161275771645
Energy: -1.0271255120533442
Energy: -1.00266774414086
Energy: -1.03821920451969
Energy: -0.20227087533801996
Energy: -1.0382193905877968
Energy: -0.9528562930729488
Energy: -0.9629621234084852
Energy: -0.8061601435756813
Energy: -0.9629621249172614
Energy: -0.8669514961367082
Energy: -1.0007627888732855
Energy: -0.2814357125770818
Energy: -1.0007605695447421
Energy: -0.6270626842489357
Energy: -0.4151640121443298
Energy: -0.7154550675650531
Energy: -0.42389249406830365
Energy: -0.42613393799980803
Energy: -0.8699784818325214
Energy: -0.42223631685457813
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Energy: -0.09231095104276096
Energy: -0.6898167332342798
Energy: -0.701571648136321
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Energy: -0.2867648318231092
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Energy: -0.814323087382338
Energy: -0.24771865970625495
Energy: -1.0398393354071576
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Energy: -1.0398393112070152
Energy: -0.8023680710568215
Energy: -0.7980412692978677
Energy: -0.8197053572906177
Energy: -0.7980416148160421
Energy: 0.12367214050936466
Energy: -0.707300303790382
Energy: -0.6015738168577276
Energy: -0.7072967768517789
Energy: -0.7223492220289669
Energy: -0.6925897699850878
Energy: -0.8264086944389208
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Energy: -0.9974155962991094
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Energy: -0.8119067544383635
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Energy: -0.4111446101518493
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Energy: -0.7976251700748932
Energy: -0.2533880663009484
Energy: -0.7975186427254198
Energy: -0.0033220460543421557
Energy: -0.9812960314670021
Energy: -0.48015157773555933
Energy: -0.9812960493586977
Energy: -0.5874600110458841
Energy: -1.0663444676148814
Energy: -1.015767452579264
Energy: -1.0663404281643858
Energy: -0.9626550881380947
Energy: -0.9581098212983553
Energy: -1.0547176386914558
Energy: -0.9581097768653665
Energy: -0.5987311224726227
Energy: -0.9561225018560944
Energy: -0.9899341210923951
Energy: -0.9561224995270037
Energy: -0.7783537884062962
Energy: -0.7693858670566098
Energy: -0.4927951793710467
Energy: -0.7772096210494298
Energy: -0.30262619697715265
Energy: -0.6875451021502909
Energy: -0.5129842680450323
Energy: -0.6868779178273062
Energy: -0.649844816762259
Energy: -0.808197057834104
Energy: -0.4776685001821434
Energy: -0.5990116224176245
Energy: -0.27897021870594285
Energy: -0.9607563813015134
Energy: -0.24585792779120086
Energy: -0.9607563813053219
Energy: -0.8953764558112188
Energy: -1.0194923938799427
Energy: -0.13451316070995875
Energy: -1.019496808973877
Energy: -0.560536701804507
Energy: -0.9549800468435957
Energy: -0.8615122773127746
Energy: -0.949651129352285
Energy: -0.9106662687613959
Energy: -0.6752433727542463
Energy: 0.1090053926004142
Energy: -0.6752361974145838
Energy: -0.705284443446409
Energy: -0.7699024394646418
Energy: -0.6833196898639073
Energy: -0.7917041671370838
Energy: -0.20353112626616066
Energy: -0.859860356758672
Energy: -0.9983668430475428
Energy: -0.8618365688505047
Energy: -0.8470268958725555
Energy: -0.7964623967351712
Energy: -0.8365511049628268
Energy: -0.7964623972401931
Energy: -0.3469465707147005
Energy: -0.7901033904432277
Energy: -0.88470618970983
Energy: -0.7901025714082771

minimum gb energy = -1.0663444676148814 eV
minimum distance =  2.1888781368208 Angstroms
sigma value = 89


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

Energy: -0.2778537201015629
Energy: -0.8734246338417898
Energy: -0.8143153015851453
Energy: -0.7975047827074925
Energy: -0.3924767948568389
Energy: -0.659800613612336
Energy: -0.8441847389415612
Energy: -0.7079126151585695
Energy: 0.026982101967349653
Energy: -0.6663604003498154
Energy: -0.8720445465179634
Energy: -0.6566340916438719
Energy: -0.626330012524171
Energy: -0.6829389191448131
Energy: -0.46120520552692995
Energy: -0.6723645569176466
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Energy: -0.9456206138366984
Energy: -0.047641886875033415
Energy: -0.917238762664263
Energy: -0.8945818382849176
Energy: -0.8715727668563775
Energy: -0.16723601335519686
Energy: -0.8209588098566256
Energy: -0.7044670319023464
Energy: -0.8943851989843921
Energy: -0.8128803266531466
Energy: -0.8431556715381973
Energy: -0.8403213126846897
Energy: -0.8549142163525485
Energy: -0.5215476322097371
Energy: -0.8469845413810007
Energy: -0.8220599735705489
Energy: -0.8318544355831045
Energy: -0.5429739126394717
Energy: -0.8269746278107845
Energy: -0.8873008526089808
Energy: -0.7149539111765707
Energy: -0.4276876524821376
Energy: -0.731792491164894
Energy: -0.6225287564226595
Energy: -0.6562239647164791
Energy: -0.37446622356729314
Energy: -0.6592468133914463
Energy: -0.1346364471172633
Energy: -0.8230730070557347
Energy: -0.46020418534608387
Energy: -0.8082921110226541
Energy: -0.10606623000766247
Energy: -0.8116568798491977
Energy: -0.820083612924098
Energy: -0.8335916557771834
Energy: -0.5759482059389149
Energy: -0.8119961450161268
Energy: -0.7719717144001293
Energy: -0.8119958301724435
Energy: -0.5366830299370241
Energy: -0.8259048879044874
Energy: -0.8548335162651515
Energy: -0.8163166991548794

minimum gb energy = -0.9456206138366984 eV
minimum distance =  2.2362956934466 Angstroms
sigma value = 13


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

Energy: -0.45032440396594353
Energy: -1.28982555626176
Energy: -1.2173103574326112
Energy: -1.581440904226414
Energy: -1.3280445537757988
Energy: -1.4606645780500285
Energy: -1.4159714168190434
Energy: -1.4582739402332847
Energy: -1.3656384020644312
Energy: -1.5702543672145766
Energy: -0.8931039876619212
Energy: -1.5171461550938743
Energy: -0.9570552929306786
Energy: -1.6109954900176837
Energy: -1.2601950000322386
Energy: -1.4146839720504902
Energy: -1.3735353988463228
Energy: -1.2032857421453493
Energy: -1.0341495350753447
Energy: -1.1112669893047158
Energy: -1.2731382372487459
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Energy: -1.0364992473653392
Energy: -1.32494106241911
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Energy: -1.2104451386583797
Energy: -1.3208580660189997
Energy: -0.8410518378647012
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Energy: -1.5578595553004215
Energy: -1.3830487580159236
Energy: -0.8890662475821015
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Energy: -1.5752634479140906
Energy: -0.8773798381236635
Energy: -1.345419664044157
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Energy: -1.482860559621875
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Energy: -0.8546510997003468
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Energy: -1.2238788096762587
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Energy: -1.3720040533716327
Energy: -1.4655386245267323
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Energy: -1.5701278213633576
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Energy: -1.5701292204699664
Energy: -1.2736635700810353
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Energy: -0.7246745132411477
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Energy: -1.2149606590821835
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Energy: -1.3555295026148686
Energy: -1.0930181462275388
Energy: -1.35553115194359
Energy: -1.3257694324841238
Energy: -1.2913568623599392
Energy: -0.4279226883221881
Energy: -1.3011756180103697
Energy: -1.4646645569325798
Energy: -1.504979488787741
Energy: -1.3531322105822843
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Energy: -1.488149664282327
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Energy: -1.5440169829346013
Energy: -1.4887184788114527
Energy: -1.4776475526655868
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Energy: -0.9649788477466394
Energy: -1.4510788421971557
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Energy: -1.4348057079546912
Energy: -1.1075925821299257
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Energy: -0.9692188491424579
Energy: -1.5022982327262153
Energy: -1.2899162820819188
Energy: -1.5914872439413505
Energy: -1.2155918914311248
Energy: -0.8051692103309348
Energy: -0.5057483425893562
Energy: -0.7935253900989298
Energy: -1.0802624201507864
Energy: -1.440302239190551
Energy: -1.3550613272955365
Energy: -1.44030868634583
Energy: -1.0326716969928547
Energy: -1.5790421912579988
Energy: -1.5205698400845395
Energy: -1.5790421877881051
Energy: -1.0652986383810104
Energy: -1.0246241142173875
Energy: -1.633852821672858
Energy: -1.024586180836129
Energy: -0.8432968792173299
Energy: -1.3006272152656817
Energy: -1.5512591491814083
Energy: -1.3006125689748909

minimum gb energy = -1.633852821672858 eV
minimum distance =  2.19612654108322 Angstroms
sigma value = 37


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

Energy: 0.40452406286746023
Energy: -0.715691075669948
Energy: -0.8694008190994459
Energy: -0.7307787634525978
Energy: -0.4228101319849355
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Energy: -0.5416798560411769
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Energy: -0.7120798796587124
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Energy: -0.4401314643962044
Energy: 0.39810400113739813
Energy: -0.5755503458110348
Energy: 0.49424221832679044
Energy: -0.532883106704214
Energy: 0.49424221832679044
Energy: -0.4056555098633867
Energy: -0.03626915777448696
Energy: -0.009171927729294543
Energy: -0.03626980156734574
Energy: -0.7478238815754521
Energy: -0.5815871571103541
Energy: 0.07183626255799638
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Energy: -0.5537016060158407
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Energy: -0.4205139621770351
Energy: -0.4626102680644364
Energy: -0.6541912186014903
Energy: -0.4397526641951978
Energy: 0.3860080132183375
Energy: -0.5288964891328892
Energy: -0.4348841437529624
Energy: -0.483576087988139
Energy: -0.4342348646070165
Energy: -0.5038381174055355
Energy: -0.6019800017764628
Energy: -0.5755477954352973
Energy: -0.4563065976205453
Energy: -0.6361389360048461
Energy: -0.27927472753342875
Energy: -0.09455145826156128
Energy: -0.3948705735548436
Energy: -0.09064678677696082
Energy: -0.31312148475422535
Energy: 0.3893935832507267
Energy: -0.5785587049184086
Energy: 0.3893935828927731
Energy: -0.40642740689128687
Energy: 0.4309678276768463
Energy: -0.5947253862429688
Energy: 0.4309678276768463
Energy: -0.46332920723421833
Energy: -0.7920504776576845
Energy: -0.5847324769518574
Energy: -0.7602148643411715
Energy: 0.02447727553438503
Energy: -0.77675936495529
Energy: -0.5554976945981819
Energy: -0.7767509233508332
Energy: 0.0932793398875422
Energy: -0.7118076275974802
Energy: -0.7968706036534422
Energy: -0.7118076274729817
Energy: -0.46344862489029137
Energy: -0.2535253460779505
Energy: -0.5461772848192691
Energy: -0.2535253588796573

minimum gb energy = -0.8694008190994459 eV
minimum distance =  2.23907082242485 Angstroms
sigma value = 25


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

Energy: -0.30773778589995976
Energy: -1.5715731191641789
Energy: -1.4745458220799927
Energy: -1.5342759630770073
Energy: -0.6520069456111977
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Energy: -1.266779457625226
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Energy: -1.4360074070274014
Energy: -1.4659549630119781
Energy: -0.7810174711594589
Energy: 0.30001105549427787
Energy: -0.9140498557016773
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Energy: 0.1698750089550807
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Energy: -0.8211500848648858
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Energy: -1.6525231471996418
Energy: -0.3060224615651592
Energy: -0.9418875039599236
Energy: -0.30602246156048324
Energy: -1.142509945678174
Energy: -0.7601656057938682
Energy: -0.5162653426900666
Energy: -0.7601656070212168
Energy: -1.3900191766716261
Energy: -1.3288585259879342
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Energy: -1.354026761745436
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Energy: -0.7347412051122381
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Energy: -0.8440513215351283
Energy: 0.4295219574264067
Energy: -1.0075890513766226
Energy: -0.6290591750565774
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Energy: -0.8460418276918196
Energy: -0.521040943874631
Energy: -1.0684160331221353
Energy: -0.5210687578493528
Energy: -0.8275818368806818
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Energy: -1.0191779552793234
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Energy: -0.6013771599772493
Energy: -1.3816197319404875
Energy: -1.0841374763469793
Energy: -1.3424662089213437
Energy: -0.8460527872367948
Energy: 0.1342542699776749
Energy: 0.09676784720117286
Energy: 0.13425426891202868
Energy: -0.3758529157172843
Energy: -1.4036728406233225
Energy: -1.1170814456300038
Energy: -1.4284952019858481
Energy: -0.4783768981291656
Energy: -0.680616758577302
Energy: -1.597366811224805
Energy: -0.6806167587474212
Energy: -0.7969913800591651
Energy: -0.5351354471131871
Energy: -1.4765244963466762
Energy: -0.5462007316447456
Energy: 0.499604712383569
Energy: -0.5728203098191038
Energy: -1.6346708413716982
Energy: -0.5728203098293908

minimum gb energy = -1.6525231471996418 eV
minimum distance =  2.24552658378473 Angstroms
sigma value = 41


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

Energy: -0.8852636467643816
Energy: -1.0553083856841359
Energy: -2.3319122677641912
Energy: -1.0018628196947614
Energy: -1.1883154135108764
Energy: -1.6460752977048227
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Energy: -1.2869421460471828
Energy: -1.5057391511849005
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Energy: -1.7421244308836283
Energy: -1.3837014725585743
Energy: 0.6663073965217884
Energy: -1.288484008326836
Energy: 0.6663073965233218
Energy: -1.265809259187591
Energy: 0.6379481365255917
Energy: -1.3869209780445586
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Energy: -1.7057400734818724
Energy: -1.0775084966921455
Energy: -1.2801727097328734
Energy: -1.0767585246613764
Energy: -1.7997436917436922
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Energy: -1.680418688966842
Energy: -1.8419775625978858
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Energy: -2.115594605674712
Energy: -1.9240484923755994
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Energy: 0.07874804097335014
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Energy: -1.1211706685364133
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Energy: -1.21793955857347
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Energy: -1.0790235848196037
Energy: -1.557084253642276
Energy: -1.07902200332142
Energy: -1.4623090823917824
Energy: -1.4850035626336655
Energy: -1.781474592840678
Energy: -1.3018764004400571
Energy: -0.7968984214131803
Energy: -0.26045857968508235
Energy: -1.4230500914435964
Energy: -0.26045858037556585
Energy: -1.1992586131203025
Energy: -0.8585630069533216
Energy: -1.2807305802238
Energy: -1.3907923632628372
Energy: -1.221852944773506
Energy: 0.19117550090583352
Energy: -1.606366324772465
Energy: 0.1911755005103903
Energy: 0.025936010003030155
Energy: -1.6856786094126415
Energy: -1.7643585862837459
Energy: -1.6856783339169152
Energy: -0.5432940110165193
Energy: -0.9698983799394546
Energy: -1.0959144867007709
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Energy: -1.844660697900406
Energy: -0.8120481403100842
Energy: -2.0746755627040083
Energy: -1.078589017641061
Energy: -2.0746755587472765

minimum gb energy = -2.3319122677641912 eV
minimum distance =  2.24093106345523 Angstroms
sigma value = 15


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

Energy: -1.5468283999294505
Energy: -2.109184400363664
Energy: -2.5347589687486507
Energy: -2.434873102365124
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Energy: -1.836414451901715
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Energy: -1.9806901924750324
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Energy: -1.6211343986279285
Energy: -2.221311419966704
Energy: -2.4468983712260504
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Energy: -1.270281254357553
Energy: -2.250508493460006
Energy: -1.3510561378680237
Energy: -2.2505085151340407
Energy: -1.4797401271883122
Energy: -2.1934588445363072
Energy: -2.0978619055792267
Energy: -2.1934579657028466
Energy: -1.3102813168764327
Energy: -2.225296854157952
Energy: -2.0452193802658356
Energy: -2.225296855327825

minimum gb energy = -2.5899496217488327 eV
minimum distance =  2.24939584655367 Angstroms
sigma value = 85


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

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Energy: -0.9970525612568003
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Energy: -1.216621135885781
Energy: -0.17958923246456004
Energy: -0.3706522466674632
Energy: -0.8299526667217528
Energy: -0.3628875071509349
Energy: -0.4994525648745757
Energy: -1.4599212688817218
Energy: -1.063753159619435
Energy: -1.4947508802092913
Energy: -0.4812369212506383
Energy: 0.3008338873249107
Energy: -1.398627860047871
Energy: 0.30083388733051825
Energy: 0.02715577495021075
Energy: -1.4279292602729374
Energy: -1.1122119458802366
Energy: -1.4279292602582911
Energy: -0.3691429875625821
Energy: -1.4604543582092369
Energy: -1.5307897349788016
Energy: -1.4604542863733951
Energy: -0.44574331587110616
Energy: -1.1445196874136017
Energy: -1.0535113786138812
Energy: -1.1445196877075239
Energy: -0.35020291261909287
Energy: -1.3617245705738363
Energy: -1.4968410663806024
Energy: -1.361724571458395

minimum gb energy = -1.5445614134644599 eV
minimum distance =  2.2263501079242 Angstroms
sigma value = 113


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

Energy: 0.016584065356503277
Energy: 0.2751556379874043
Energy: 1.2599386668245822
Energy: 0.27515563955676825
Energy: -3.7165699427667
Energy: -2.648541848649623
Energy: -3.321473750260713
Energy: -4.310177848748392
Energy: -1.606873783065819
Energy: -4.098858592787359
Energy: -3.207770102772546
Energy: -2.747550227043106
Energy: 0.0179714029352982
Energy: -1.3587552645839138
Energy: -2.7300893973314397
Energy: -1.358755265086273
Energy: -3.9878468879548836
Energy: -4.122302674295049
Energy: -3.358718717415084
Energy: -2.656996804539116
Energy: -1.7853512337147883
Energy: -1.764933697599504
Energy: -3.4091077581817206
Energy: -1.7650104088310716

minimum gb energy = -4.310177848748392 eV
minimum distance =  2.40936919948808 Angstroms
sigma value = 1