Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Mo__MO_230319944007_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150138273835182
cohesive_energy=6.810539053672873
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.95157640656492e-21, 3.1640905691875795e-20, 1.079846223019758e-19, 2.31107570747964e-19, 3.6951640580595598e-19, 4.957022353231619e-19, 6.00795409453758e-19, 6.86569537731582e-19, 7.572912165329759e-19, 8.166053977002899e-19, 8.669954550162239e-19, 9.100138976391239e-19, 9.466476663755339e-19, 9.77603321121048e-19, 1.003486484643318e-18, 1.024870736177316e-18, 1.042318439721576e-18, 1.056364722271854e-18, 1.067509462937958e-18, 1.0762108842372118e-18, 1.082824669382364e-18, 1.08746136856116e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.086998339513934e-18, 1.08133304293611e-18, 1.072676482582608e-18, 1.06066496435751e-18, 1.044862696216368e-18, 1.0247121206905498e-18, 9.99551538830214e-19, 9.68573453611824e-19, 9.307813111690319e-19, 8.84931822433854e-19, 8.29448445598434e-19, 7.623428794599779e-19, 6.810772762302299e-19, 5.82426454344948e-19, 4.62274422031386e-19, 3.1532278116090597e-19, 1.345946933630916e-19, -8.949934916953739e-20, -3.7113139985302795e-19, -7.327426661468279e-19, -1.2104556622234379e-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: 0.017294576170576077
Energy: 0.23544299634707283
Energy: 0.23535629661567142
Energy: 0.23560136145003005
Energy: 0.23542046593330568
Energy: 0.017958467209186754
Energy: 0.23544294585481096
Energy: 1.5842024893385114
Energy: 0.2356089360607828
Energy: 0.23530727728734618
Energy: 0.23537479251196505
Energy: 0.23558393696170357
Energy: 0.2353656265485766
Energy: 0.2355000532372364
Energy: 1.5870612854870132
Energy: 0.017946943552428995
Energy: 0.2355474080047469
Energy: 0.23529403634252063
Energy: 0.23560143262310745
Energy: 0.2353054411645609
Energy: 0.01794694354237945
Energy: 0.017535289621465732
Energy: 0.2355021018064306
Energy: 0.23541661421700233
Energy: 0.23542102395601994
Energy: 0.23537629849876723
Energy: 0.23554745576601055
Energy: 0.23550210180721073
Energy: 1.58574854511512
Energy: 0.23547834705756418
Energy: 0.017958467209186754
Energy: 0.23558393696170357
Energy: 0.23529352801085798
Energy: 0.2354165256164085
Energy: 0.23548155084967118
Energy: 0.017368062576925625

minimum gb energy = 0.017294576170576077 eV
minimum distance =  2.72732257609709 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.812550841426714
Energy: 2.084759262152809
Energy: 1.9871300535572483
Energy: 1.989541555363852
Energy: 2.0831096450812487
Energy: 2.185079062475436
Energy: 2.0673889853843406
Energy: 2.229406007830369
Energy: 2.0257866137497493
Energy: 1.935161048981057
Energy: 2.0260778749564374
Energy: 2.25873650230834
Energy: 2.1002807200136218
Energy: 2.0258790765467745
Energy: 2.2677854354091176
Energy: 1.9221621427150974
Energy: 2.02577968200685
Energy: 2.0268172075833366
Energy: 1.927055601654789
Energy: 2.0256601297844656
Energy: 2.2092588145308323
Energy: 2.2095367462547157
Energy: 2.0258923255935204
Energy: 2.028054867130023
Energy: 2.114230022550815
Energy: 2.034104079154996
Energy: 2.0342900130414234
Energy: 1.9384547863116113
Energy: 2.27203782085974
Energy: 2.0357055302612763
Energy: 1.9262555473687808
Energy: 2.2052219840084577
Energy: 2.2072339554366085
Energy: 1.9349997445962621
Energy: 2.206305120098288
Energy: 2.2054007189968967
Energy: 1.9260768647129007
Energy: 2.2046287344205635
Energy: 2.161615874195516
Energy: 2.1610353196086387
Energy: 2.2046194584808263
Energy: 2.205297729265451
Energy: 2.106431509895197
Energy: 2.104215418547311
Energy: 1.9359955267011544
Energy: 2.0930607690406955
Energy: 2.1755900897027813
Energy: 1.891737638000445
Energy: 1.8384174307043668
Energy: 2.2046054825810324
Energy: 2.2112380495262998
Energy: 1.9375646151941084
Energy: 2.2097604728867024
Energy: 2.2052132039389845
Energy: 1.8381899435620905
Energy: 2.2058143175470364
Energy: 2.2080114426644366
Energy: 1.9384941656232526
Energy: 2.205990278252634
Energy: 2.225100988167969
Energy: 2.1045643714930256
Energy: 2.104466242449695
Energy: 2.0351450296187674
Energy: 2.094620460266642
Energy: 2.289013165749361
Energy: 1.9282753406211275
Energy: 1.930902803327111
Energy: 2.0253098984708924
Energy: 2.1746718776314324
Energy: 2.0089421305776103
Energy: 2.02558274841994
Energy: 1.9288557729734543
Energy: 1.936403788037003
Energy: 2.025531155495564
Energy: 2.1746174445465964
Energy: 2.0095130676156856
Energy: 2.025583228618746
Energy: 1.9347780734679367
Energy: 1.859798569241204
Energy: 2.0352759437856642
Energy: 2.0346473307257495
Energy: 1.8617357327891886
Energy: 2.0268696271648117
Energy: 2.035011144392887
Energy: 1.923645088929437
Energy: 2.0257007280205346
Energy: 2.0307076559031314
Energy: 1.937382746201673
Energy: 2.0254176267423927
Energy: 2.2086345121268307
Energy: 1.9216333309673272
Energy: 2.0258795962019485
Energy: 2.025675910174196
Energy: 1.9307353921593107
Energy: 2.0255895055976727
Energy: 2.2571171110062265
Energy: 1.9364774296700833
Energy: 2.0263095817576584
Energy: 2.071811130065997
Energy: 2.0772451967129997
Energy: 2.211162040923088
Energy: 2.026724804971997
Energy: 1.9345890178605247
Energy: 2.23118522513883
Energy: 2.206473022654816
Energy: 2.2062623988325822
Energy: 2.206241913876948
Energy: 2.165169973832029
Energy: 1.937688017299251
Energy: 2.16560586077839
Energy: 2.304728833845667
Energy: 1.9293499013025208
Energy: 2.2088272928526624
Energy: 2.1681103652289124
Energy: 2.0933619653789464
Energy: 2.207739063418497
Energy: 1.8918226226463322
Energy: 2.1050742895823515
Energy: 2.20933190885558
Energy: 2.2056715455464753
Energy: 2.423070731528217
Energy: 2.208284126516494
Energy: 2.225315785540021
Energy: 2.2264397755468575
Energy: 2.2050022831967904
Energy: 2.20691732719404
Energy: 2.1012741326750786
Energy: 2.205341691599909
Energy: 2.2052608332112915
Energy: 1.8413883991117004
Energy: 2.2050607386775316
Energy: 2.0271407921953806
Energy: 2.285038520328605
Energy: 2.228985660756529
Energy: 1.9268994893958724
Energy: 1.9283243581791205
Energy: 2.025968717282416
Energy: 2.2577633706191618

minimum gb energy = 1.8381899435620905 eV
minimum distance =  2.42326360734665 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 3.7026154940228446
Energy: 2.1546973309699644
Energy: 2.024109892005014
Energy: 2.0229400628035616
Energy: 2.152919006443379
Energy: 2.364514872031232
Energy: 2.132637654514242
Energy: 2.5450284303701896
Energy: 2.0409809853908967
Energy: 2.0017685229287197
Energy: 2.042007551862346
Energy: 2.2459431720842997
Energy: 2.2193766375134705
Energy: 2.236116554593943
Energy: 2.233384561414366
Energy: 1.9454557066654954
Energy: 2.2330662972819755
Energy: 2.213257883743401
Energy: 2.067979782852113
Energy: 2.2391063757642944
Energy: 2.2331832221858168
Energy: 2.3171294708208436
Energy: 2.2326141545821194
Energy: 2.120990485044588
Energy: 2.1771163939448996
Energy: 2.123603511331092
Energy: 2.0509340270706344
Energy: 2.287666177329826
Energy: 2.5596386034833305
Energy: 2.1238705700139833
Energy: 2.0010997294758166
Energy: 2.3341513271339775
Energy: 2.3317984682277153
Energy: 2.0029722381213793
Energy: 2.3321556841648294
Energy: 2.333880379888253
Energy: 2.0017851508028612
Energy: 2.335137020783821
Energy: 2.3893885606427765
Energy: 2.6171689949106467
Energy: 2.334581763862027
Energy: 2.3349618302012014
Energy: 2.0009014499627216
Energy: 2.042275327514001
Energy: 2.3736056414210895
Energy: 2.0022248407447836
Energy: 2.330641322278747
Energy: 2.0498260421413668
Energy: 1.9821364278608207
Energy: 2.234112342586398
Energy: 2.2017006098741487
Energy: 2.0698374061528795
Energy: 2.235146907465683
Energy: 2.2905841140903656
Energy: 1.9088509450982272
Energy: 2.233294390392903
Energy: 2.214729125456051
Energy: 2.122456964096098
Energy: 2.2341418400722914
Energy: 2.2974125258832245
Energy: 2.002364631006107
Energy: 2.0419001459911525
Energy: 2.2364130078228643
Energy: 2.2145278633284335
Energy: 2.2359254259358234
Energy: 2.044111300714105
Energy: 2.0048202491627003
Energy: 2.0409168466676304
Energy: 2.0421765945327413
Energy: 1.9435485418570562
Energy: 2.041549619364375
Energy: 2.0420526031829307
Energy: 1.9483888935759979
Energy: 2.040619600896829
Energy: 2.0423967445022964
Energy: 1.943715832798835
Energy: 2.042083908811218
Energy: 1.9474020873373177
Energy: 1.9506812327997691
Energy: 2.1840825541701823
Energy: 2.236405788607283
Energy: 2.2150099808438712
Energy: 2.2356221254106616
Energy: 1.9496463471376106
Energy: 1.998268193748463
Energy: 2.3160140578488444
Energy: 2.3104782255275342
Energy: 2.121347971899771
Energy: 2.3187859621068587
Energy: 2.3158490909212346
Energy: 1.9478328604784063
Energy: 2.31626625697673
Energy: 2.309534957993045
Energy: 2.309133929225009
Energy: 2.3175226004133074
Energy: 2.3155171418703606
Energy: 1.9498662984117259
Energy: 1.9601974538915656
Energy: 2.3106129187353135
Energy: 2.219924944434852
Energy: 2.3099410518318426
Energy: 1.9600635433374116
Energy: 1.9095386287432632
Energy: 2.315026432577635
Energy: 2.3371142772563616
Energy: 2.3774619535413937
Energy: 2.3167269132230563
Energy: 2.3281845197851587
Energy: 1.912359105343434
Energy: 2.3151773179878297
Energy: 2.320891605972122
Energy: 2.1235986055178957
Energy: 2.3198667164015987
Energy: 2.316483732886364
Energy: 1.948616466049424
Energy: 1.9489527893199998
Energy: 2.2456221861099683
Energy: 2.328234755143745
Energy: 2.5588806301750373
Energy: 1.9489493457226474
Energy: 1.950213769675065
Energy: 2.0419941013038794
Energy: 2.156090778096737
Energy: 2.2992003097752445
Energy: 2.042327089399488
Energy: 1.9481590623810945
Energy: 2.001949678073505
Energy: 2.040797966654713
Energy: 2.290912537185949
Energy: 1.9918580713009084
Energy: 2.042651329238797
Energy: 2.0452861608925827
Energy: 2.2745613766955644
Energy: 2.559393352258422
Energy: 2.236178878763609
Energy: 2.218524353450023
Energy: 2.235812083605642
Energy: 2.132509291233803
Energy: 3.4171592519216003
Energy: 2.2346404763697274
Energy: 2.1223627536989818
Energy: 2.0684969606748727
Energy: 2.237281293489814
Energy: 2.3188003038118636
Energy: 2.2739213852664997
Energy: 2.5592127672134906
Energy: 2.1229052528667673
Energy: 2.068512222762514
Energy: 2.235788877450822
Energy: 2.1321390696692095
Energy: 2.001917650714018
Energy: 2.3328612705231175
Energy: 2.331170286997329
Energy: 2.0019645588921238
Energy: 2.3324201854220643
Energy: 2.046637531839386
Energy: 2.614363749730024
Energy: 2.330745989479013
Energy: 2.333463823669972
Energy: 2.3845265211845836
Energy: 2.3331422080269624
Energy: 2.38422020716368
Energy: 2.003512686634247
Energy: 2.3937857615309106
Energy: 2.0414209129517213
Energy: 2.0012658039421125
Energy: 2.332836409444847
Energy: 2.376754303343572
Energy: 2.069801483575281
Energy: 2.2013713188715007
Energy: 2.343693156423148
Energy: 1.9817583969532702
Energy: 2.2352083940120724
Energy: 2.121859204051318
Energy: 2.1265484832257586
Energy: 2.212167667218106
Energy: 2.2976321854407735
Energy: 3.1213818482882973
Energy: 2.2347021018008713
Energy: 2.23907491227841
Energy: 2.2871510198132206
Energy: 2.235454796707487
Energy: 2.3338262326258863
Energy: 2.002235657965253
Energy: 2.2357201628009933
Energy: 2.212241530112795
Energy: 2.2645117649032103
Energy: 2.041818771350418
Energy: 2.041377123809196
Energy: 2.0015473988900028
Energy: 2.040560199497639
Energy: 2.2312397249890914
Energy: 1.9553916031698926
Energy: 2.042566990712207
Energy: 2.040774564640067
Energy: 1.9489153084109925
Energy: 2.0411518883982263
Energy: 2.2316505458018856
Energy: 2.4499070855557323
Energy: 2.23622011839904
Energy: 1.948895345992112
Energy: 1.9474869205595615
Energy: 1.9482464311922663
Energy: 2.24648169041597
Energy: 2.123290958896001
Energy: 2.343283154619699
Energy: 2.316240982254485
Energy: 1.9981265147146408
Energy: 2.3173633151575204
Energy: 2.310551582533186
Energy: 2.3869427309458904
Energy: 2.2994384330787914
Energy: 2.3163525082269993
Energy: 1.948777295067303
Energy: 2.3161819149034883
Energy: 2.3253320385714855
Energy: 2.351457991333153
Energy: 2.3795849297137828
Energy: 1.9596568835038257
Energy: 1.9627688402386765
Energy: 2.225945776341073
Energy: 2.260431191406246
Energy: 2.3900468102095296
Energy: 2.3225402551986405
Energy: 2.315756446239886
Energy: 1.9134507016486013
Energy: 2.315192450716103
Energy: 2.3343851669217037
Energy: 2.121904685777575
Energy: 2.321592669593747
Energy: 2.3151295595670343
Energy: 1.9090768092204526
Energy: 2.315101054032891
Energy: 2.308582863675293
Energy: 2.449275821390619
Energy: 2.235865961772153
Energy: 1.9483046570013671
Energy: 1.9479277940174866
Energy: 1.949553549961412
Energy: 2.2364431695991036
Energy: 1.9800831314833232
Energy: 2.041834196571835
Energy: 1.9480206199259609
Energy: 1.9513939556800248
Energy: 2.0408605458183455
Energy: 2.297808829654823

minimum gb energy = 1.9088509450982272 eV
minimum distance =  2.42596071201143 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 3.4670846909979196
Energy: 2.2621299937642
Energy: 2.2623168241476113
Energy: 2.1704084156558365
Energy: 2.261622887947897
Energy: 2.3641426049641274
Energy: 2.3565282049762923
Energy: 2.377152392444896
Energy: 2.16643340393033
Energy: 2.209718657780192
Energy: 2.166241314547647
Energy: 2.1693411561352605
Energy: 2.0806322228270235
Energy: 2.1634572135320917
Energy: 2.1614854928152853
Energy: 2.377344021911534
Energy: 2.1585611278131642
Energy: 2.1697914342458833
Energy: 2.0644658682869648
Energy: 2.1628191471522378
Energy: 2.1611501708837655
Energy: 2.0696120810244767
Energy: 2.159123238395353
Energy: 2.1681509371020633
Energy: 2.0604153564224252
Energy: 2.1809836622927996
Energy: 2.5082466412260103
Energy: 2.2713740524765935
Energy: 2.4430231431687877
Energy: 2.181279731260038
Energy: 2.083873240746524
Energy: 2.3643075453893903
Energy: 2.5081939403202727
Energy: 2.20490695694837
Energy: 2.3624724900971663
Energy: 2.362854118384622
Energy: 2.0836542037671526
Energy: 2.3631888753499126
Energy: 2.398230048664092
Energy: 2.2334190397313027
Energy: 2.362894582519575
Energy: 2.362697229281703
Energy: 2.081017023043214
Energy: 2.5067754173655774
Energy: 2.5856833693223513
Energy: 2.270197848962341
Energy: 2.364167202834891
Energy: 2.5096107689354787
Energy: 1.8843761714507532
Energy: 2.5046456601515095
Energy: 2.2071531451779665
Energy: 2.0638967196365323
Energy: 2.1661922785023924
Energy: 2.3440331984108567
Energy: 1.8827626405467297
Energy: 2.1635388085496907
Energy: 2.1677086299523065
Energy: 2.2074154798885046
Energy: 2.164078423422571
Energy: 2.3436474233498843
Energy: 2.3440118325982167
Energy: 2.5077903740741125
Energy: 2.166667724162461
Energy: 2.2047099079181502
Energy: 2.5086349475967102
Energy: 2.1813813184493167
Energy: 2.0797957481962857
Energy: 2.157487108685756
Energy: 2.1587790456588016
Energy: 2.362836894520044
Energy: 2.156790951821895
Energy: 2.163082410150853
Energy: 2.0623493503886228
Energy: 2.1574597135681155
Energy: 2.1589931148975023
Energy: 2.0703505020533655
Energy: 2.1581824706299213
Energy: 2.1653828776615915
Energy: 2.0611101899767705
Energy: 2.3770202187266807
Energy: 2.5087672126761196
Energy: 2.271000851527613
Energy: 2.5087030185433594
Energy: 2.1827755149827035
Energy: 2.0799466734318095
Energy: 2.362216084947102
Energy: 2.3735122713608288
Energy: 2.2300682830778022
Energy: 2.369993176102843
Energy: 2.362565498181419
Energy: 2.079600513911845
Energy: 2.360879381036324
Energy: 2.4593711082858976
Energy: 2.227252362498035
Energy: 2.3635515817077213
Energy: 2.361672342343232
Energy: 2.3771975625051205
Energy: 2.507011981904936
Energy: 2.559466738226331
Energy: 2.2147792847206857
Energy: 2.4999143120615974
Energy: 2.5076021926233776
Energy: 1.883026950531923
Energy: 2.1631109954505785
Energy: 2.0625081348167624
Energy: 2.0621820266770055
Energy: 2.163362560911442
Energy: 2.3440188355088902

minimum gb energy = 1.8827626405467297 eV
minimum distance =  2.43464292933394 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 3.1810945272177618
Energy: 2.2051400426302967
Energy: 2.2195725454635884
Energy: 2.063694446087179
Energy: 2.1811603613609516
Energy: 2.367635361730847
Energy: 2.3291979781246024
Energy: 2.6023959505741123
Energy: 2.178620252358518
Energy: 2.188228493565569
Energy: 2.1790062457020096
Energy: 2.4611001750793475
Energy: 2.4506664798800726
Energy: 2.4218167191172792
Energy: 2.4204049774192824
Energy: 2.3298629185841717
Energy: 2.4208678502879195
Energy: 2.4510469970524316
Energy: 2.3115544511525647
Energy: 2.424192357913955
Energy: 2.421514801796992
Energy: 2.3229014984570924
Energy: 2.4214779602896535
Energy: 2.385783887816238
Energy: 2.3812971716905937
Energy: 2.3905772797229115
Energy: 2.369485932789089
Energy: 2.08692192053178
Energy: 2.601907958777471
Energy: 2.3917701285719812
Energy: 2.311474905466682
Energy: 2.4567590598967537
Energy: 2.490115932621038
Energy: 2.0899261576251917
Energy: 2.421771818026082
Energy: 2.386868327748904
Energy: 2.312875307034398
Energy: 2.4471018697335154
Energy: 2.4983712368280084
Energy: 3.211063103049462
Energy: 2.461769223984371
Energy: 2.482635414763313
Energy: 2.4495795995392275
Energy: 2.4487032134267706
Energy: 2.178343397758387
Energy: 2.1930607762789247
Energy: 2.421640755483243
Energy: 2.4507307185047993
Energy: 2.081902704093574
Energy: 2.1777442948743784
Energy: 2.1771835908361115
Energy: 2.188247648619805
Energy: 2.1770546090430045
Energy: 2.4208704669834753
Energy: 2.3330854141598145
Energy: 2.1777321576087396
Energy: 2.177847283100371
Energy: 2.0620896175633394
Energy: 2.178261017196626
Energy: 2.4166620087703934
Energy: 2.2409423599090754
Energy: 2.422553714498183
Energy: 2.179464057349942
Energy: 2.06542462327122
Energy: 2.1785531455944764
Energy: 2.448961598443475
Energy: 2.3305749332798276
Energy: 2.5288740355482586
Energy: 2.527771835454885
Energy: 2.4115396399907736
Energy: 2.487645251397906
Energy: 2.4492451527264882
Energy: 2.458574460024188
Energy: 2.5692906991946542
Energy: 2.5285702860128207
Energy: 2.482018053062431
Energy: 2.488461375731525
Energy: 2.5212278336170297
Energy: 2.1842572491586973
Energy: 2.5295897122621653
Energy: 2.5238781912308075
Energy: 2.340947405114466
Energy: 2.4242779716232508
Energy: 2.4112053858551548
Energy: 2.063836167758403
Energy: 2.1771835881320647
Energy: 2.4993957323539613
Energy: 2.232303212960525
Energy: 2.1782159863407085
Energy: 2.0636649434252967
Energy: 2.1929926489558293
Energy: 2.1787632241515635
Energy: 2.334754920040242
Energy: 1.965568856878769
Energy: 2.177581121083946
Energy: 2.18154137916184
Energy: 2.1939551697792963
Energy: 2.3028148873942857
Energy: 2.4235748159748587
Energy: 2.439126483436164
Energy: 2.4204462729431824
Energy: 2.1785945857386824
Energy: 2.3706772841196417
Energy: 2.420932071328994
Energy: 2.451551609264457
Energy: 2.482393658252409
Energy: 2.4206911703572294
Energy: 2.421810780010332
Energy: 2.370318594198037
Energy: 2.4209744289708257
Energy: 2.422471134277415
Energy: 2.3147982432712135
Energy: 2.4215768398720896
Energy: 2.4204595109469915
Energy: 2.206307095954723
Energy: 2.469995974397922
Energy: 2.4192906305118207
Energy: 2.318870910067434
Energy: 2.5617431990662567
Energy: 2.1781869820313395
Energy: 2.193155063712646
Energy: 2.4208955703031925
Energy: 2.4309718121273067
Energy: 2.314684715117836
Energy: 2.4204843660925475
Energy: 2.601954686183968
Energy: 2.194011223224837
Energy: 2.420643130366268
Energy: 2.4478745319817317
Energy: 2.4814593718990334
Energy: 2.450887133784423
Energy: 2.482621055326055
Energy: 2.1936397795083598
Energy: 2.178050916356197
Energy: 2.452903884836813
Energy: 2.338669264845386
Energy: 2.422947712744954
Energy: 2.178667085503254
Energy: 2.193466750037133
Energy: 2.176949372210568
Energy: 2.422334754087576
Energy: 2.0821792846598077
Energy: 2.177297321225162
Energy: 2.1783448582528897
Energy: 2.0623006783272158
Energy: 2.1754174203376784
Energy: 2.1774934946409115
Energy: 2.450477003608478
Energy: 2.1763965841581547
Energy: 2.1760384838834286
Energy: 2.210173864796401
Energy: 2.17839327268091
Energy: 2.561857819531061
Energy: 2.3299878753510437
Energy: 2.42350600038909
Energy: 2.185469941626881
Energy: 2.379295644848763
Energy: 2.4881407576539125
Energy: 2.5264139118269084
Energy: 2.4125260802499824
Energy: 2.5279499676731962
Energy: 2.533001302449577
Energy: 2.3297110033575548
Energy: 2.528806452504509
Energy: 2.5273682044181407
Energy: 2.4611071499872814
Energy: 2.5316260911963786
Energy: 2.5351388774690538
Energy: 2.2642124139418134
Energy: 2.4227599575531285
Energy: 2.0634182400124046
Energy: 2.0624423119876254
Energy: 2.469705441150834
Energy: 2.307482840857978
Energy: 2.1885052111869734
Energy: 2.1781786443469873
Energy: 2.0627945096005855
Energy: 2.065262645700308
Energy: 2.1771600388166847
Energy: 2.3341126347816434

minimum gb energy = 1.965568856878769 eV
minimum distance =  2.40372308499974 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 2.6087965913905364
Energy: 2.3221664677070875
Energy: 2.243419356901957
Energy: 2.243371417775154
Energy: 2.1470539539371543
Energy: 2.612277637193093
Energy: 1.8004172900579052
Energy: 2.4974235568078926
Energy: 2.2270395987459066
Energy: 1.8012312732976998
Energy: 2.1424432272810723
Energy: 2.496616168752017
Energy: 1.7994454474346844
Energy: 2.1461690045090105
Energy: 2.1441263407607205
Energy: 1.8022667095646991
Energy: 2.1442546033272754
Energy: 2.1440423130238466
Energy: 2.06027277361926
Energy: 2.158623633666371
Energy: 2.1592583163212358
Energy: 2.229473229151006
Energy: 2.1593135758243958
Energy: 2.145183858206247
Energy: 1.8007383614973569
Energy: 2.146070217625375
Energy: 2.383030894853403
Energy: 1.8000660667318007
Energy: 2.49654673812212
Energy: 2.147543854983947
Energy: 2.211931991960945
Energy: 2.147391228461615
Energy: 2.496187261243257
Energy: 2.2286458819576542
Energy: 2.3834465732996244
Energy: 2.2427016288902153
Energy: 1.9045871910553178
Energy: 2.2440499057991796
Energy: 2.6669061550940247
Energy: 2.6158004551545657
Energy: 2.1452635634157198
Energy: 2.2431444708289905
Energy: 1.7993808457082383
Energy: 2.2273251373471563
Energy: 2.4962832195938938
Energy: 1.8002871218160017
Energy: 2.496238437183808
Energy: 2.227327273896767
Energy: 1.8018962769686209
Energy: 2.1447443039669176
Energy: 2.1433394322284456
Energy: 1.8004576886923587
Energy: 2.143924777263951
Energy: 2.144339691077165
Energy: 2.097061426207758
Energy: 2.159346714069148
Energy: 2.1608776360924757
Energy: 2.2421726965341873
Energy: 2.158405197363571
Energy: 2.1444669780641203
Energy: 1.800885236660078
Energy: 2.375912266918402
Energy: 2.146272624837988
Energy: 1.8002828702827698
Energy: 2.146300114074909
Energy: 2.5222357747363624
Energy: 1.8002528432557865
Energy: 2.4969855558836582
Energy: 2.247534259164215
Energy: 2.212387711030101
Energy: 2.1426485005835425
Energy: 2.4962221427145552

minimum gb energy = 1.7993808457082383 eV
minimum distance =  2.42290604240605 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 3.736241348968132
Energy: 2.1050570778688042
Energy: 1.9722548946413487
Energy: 1.9733617942105028
Energy: 2.1053688686611776
Energy: 2.466230408694961
Energy: 2.252138198625033
Energy: 2.103238235861311
Energy: 2.1014325004595507
Energy: 2.115928607305705
Energy: 2.101262015541603
Energy: 2.491871661249044
Energy: 2.260932373937989
Energy: 2.6489977343095146
Energy: 2.682565598304316
Energy: 2.113338187697718
Energy: 2.582108611442004
Energy: 2.377785633061512
Energy: 2.536417349578449
Energy: 2.6081824847975867
Energy: 2.661814190355655
Energy: 2.2400999952237837
Energy: 2.5825836620217495
Energy: 2.3196721212446736
Energy: 2.1205380265353293
Energy: 2.605819877972812
Energy: 2.695564929756424
Energy: 2.2540400530793536
Energy: 2.582014205774829
Energy: 2.3437513450897307
Energy: 2.122898710593302
Energy: 2.103247661932925
Energy: 2.6896414478861446
Energy: 2.252770284878582
Energy: 2.1021466666318886
Energy: 2.1015898632968844
Energy: 1.9704098985446794
Energy: 2.102515182670402
Energy: 2.3839268722856732
Energy: 2.5929933242629093
Energy: 2.1025083869971204
Energy: 1.9717775466409249
Energy: 1.97319160463429
Energy: 2.1024134697948975
Energy: 2.6906295087449252
Energy: 2.2524939720233026
Energy: 2.102253538326256
Energy: 1.9711417975549428
Energy: 1.9719328751546341
Energy: 2.5259450059933886
Energy: 2.6085256376686603
Energy: 2.2545652018841604
Energy: 2.6938983270065724
Energy: 1.9728158161914278
Energy: 2.39539117682706
Energy: 2.5260001363825446
Energy: 2.5123879800779805
Energy: 2.550090917123534
Energy: 2.5134058122917518
Energy: 1.9713809384019148
Energy: 2.194194091994784
Energy: 2.5418304181762936
Energy: 2.5112204819778854
Energy: 2.308117500668998
Energy: 2.512373176427938
Energy: 2.263050699237015
Energy: 2.1934017745635055
Energy: 2.364114480362511
Energy: 2.365695620652488
Energy: 2.255638771079609
Energy: 2.362102317370151
Energy: 2.391208540353884
Energy: 2.1095704217092264
Energy: 2.3624433775930433
Energy: 2.2447188598118673
Energy: 2.1147235164053244
Energy: 2.387535282045136
Energy: 2.580208501633981
Energy: 2.193797993799705
Energy: 2.3631493311824676
Energy: 2.2465259352892146
Energy: 2.1424179725857777
Energy: 2.3622046419701483
Energy: 2.7109344700514204
Energy: 2.1952310356973634
Energy: 2.6094834162854688
Energy: 2.2087502987824608
Energy: 2.1171788250402392
Energy: 2.3599671582281068
Energy: 2.5067802862333495
Energy: 2.2976178808672465
Energy: 2.3619422120901543
Energy: 2.209021516430423
Energy: 2.141591161252367
Energy: 2.3581491515713493
Energy: 2.437418654495472
Energy: 2.1895855893865805
Energy: 2.361443814790636
Energy: 2.432481867681668
Energy: 2.252780545394718
Energy: 2.3636988183636993
Energy: 2.449919820108289
Energy: 2.191577044474978
Energy: 2.513717816912733
Energy: 2.4142421418403295
Energy: 2.2602328843134356
Energy: 2.5109969714534897
Energy: 2.0542070171743174
Energy: 1.9718423708452544
Energy: 2.5086505038195313
Energy: 2.520121841427196
Energy: 2.1061187511740695
Energy: 2.5100157428982577
Energy: 2.5002437843892955
Energy: 2.392500336433874
Energy: 2.5309933390695316
Energy: 2.5111989509126116
Energy: 2.253156031935869
Energy: 2.5138584366617898
Energy: 2.459909141504149
Energy: 1.9732219266218505
Energy: 1.97195913842523
Energy: 2.697726056905905
Energy: 2.2785842271620624
Energy: 2.6491484722980174
Energy: 1.9728278509746202
Energy: 1.9736944100261535
Energy: 1.9720836173822185
Energy: 2.2793090043996607
Energy: 2.861530966120078
Energy: 2.1018927946127497
Energy: 1.9725375808547716
Energy: 2.1096829401578634
Energy: 2.10068075590058
Energy: 2.102315030552815
Energy: 2.186742680550905
Energy: 2.1012337712250138
Energy: 2.1034587972020344
Energy: 2.121808423721111
Energy: 2.681065525668018
Energy: 2.627736818351554
Energy: 2.278988073660059
Energy: 2.607470855181332
Energy: 2.1020908693945333
Energy: 2.1240800305116525
Energy: 2.602578248371389
Energy: 2.6043970537870766
Energy: 2.1125233148426648
Energy: 2.582510849625321
Energy: 2.600568682410525
Energy: 2.119931542717758
Energy: 2.6806412112207862
Energy: 2.5979706775926856
Energy: 2.535559592037568
Energy: 2.6028585463580445
Energy: 2.6791202696733034
Energy: 2.2502785312889597
Energy: 2.5832068244318167
Energy: 2.1016046323086583
Energy: 2.113841136185349
Energy: 2.1015863905008674
Energy: 2.3758594436764904
Energy: 2.241799791090108
Energy: 2.1025414988850155
Energy: 2.1018905116939774
Energy: 2.1440555136913515
Energy: 2.1018897559403222
Energy: 2.3622885681414005
Energy: 2.1888484271798894
Energy: 2.1023326300980054
Energy: 2.1026438995069308
Energy: 1.9713112968431448
Energy: 2.1022507998371993
Energy: 2.368108749357747
Energy: 2.252729138009163
Energy: 2.6941154763201887
Energy: 1.9716179856677953
Energy: 1.972010739581607
Energy: 2.5250830786791147
Energy: 2.5518858454095987
Energy: 2.325027391582635
Energy: 2.5107790728221038
Energy: 2.5196711809799486
Energy: 2.3917482598835966
Energy: 2.5367512490615165
Energy: 2.511816843049641
Energy: 2.326860437706367
Energy: 2.515606885822043
Energy: 2.5473705391133374
Energy: 2.0389416805346228
Energy: 2.5450029187493874
Energy: 2.745311820233865
Energy: 2.262046452318833
Energy: 2.3614917197364633
Energy: 2.508152913333682
Energy: 2.194775825383617
Energy: 2.612843831888979
Energy: 2.240111724092872
Energy: 2.279694169330507
Energy: 2.3621579533166104
Energy: 2.3644870453283775
Energy: 2.6017509536967065
Energy: 2.3631403011911
Energy: 2.163346278123069
Energy: 2.137636446089435
Energy: 2.364429334960373
Energy: 2.3614639698247677
Energy: 2.2452453582267897
Energy: 2.369353480406779
Energy: 2.2354951107926175
Energy: 2.148641044233367
Energy: 2.114854129072355
Energy: 2.4966526773325906
Energy: 2.1937657987409063
Energy: 2.720877430115837
Energy: 2.1196493337293303
Energy: 2.1410917539924896
Energy: 2.36112933199536
Energy: 2.361436673696116
Energy: 2.1899043383251917
Energy: 2.361373640154915
Energy: 2.1394168372277798
Energy: 2.2763227373160984
Energy: 2.3621185739303088
Energy: 2.4379943584150974
Energy: 2.2778734916210865
Energy: 2.3627136728592384
Energy: 2.2012581197169325
Energy: 2.2618179351269196
Energy: 2.361537403390456
Energy: 2.5771641554232327
Energy: 2.1934286210984997
Energy: 2.5777575734216107
Energy: 2.24018426409131
Energy: 2.1058892896152264
Energy: 2.513202402697825
Energy: 2.5850772076827138
Energy: 2.177752074695279
Energy: 2.513471660503805
Energy: 2.5124443521346382
Energy: 2.26122323807471
Energy: 2.5114452553513775
Energy: 2.5326113405843134
Energy: 2.3889445177092927
Energy: 2.5192827520125447
Energy: 2.511466684351763
Energy: 2.254910544084069
Energy: 2.531134906943411
Energy: 1.972383875936611
Energy: 1.971807177950214
Energy: 2.4032882465373944
Energy: 2.5095126010503894
Energy: 2.1866592255221646
Energy: 2.1022665656055035
Energy: 1.9717645571543114
Energy: 1.9713896480190403
Energy: 2.1004611323978337
Energy: 2.712127918558063

minimum gb energy = 1.9704098985446794 eV
minimum distance =  2.39378948530174 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 3.497590117413338
Energy: 2.153848962880372
Energy: 1.7502915851652407
Energy: 1.7537520708679446
Energy: 1.7504218535980725
Energy: 2.544411670042292
Energy: 1.7494644927748602
Energy: 2.521480511073552
Energy: 1.7499215890553415
Energy: 1.7499858930908592
Energy: 2.1526528313283078
Energy: 2.6920135928873044
Energy: 2.2218801689897965
Energy: 2.2097903846590765
Energy: 2.5228695928051144
Energy: 1.7496963971714032
Energy: 2.5249851994460224
Energy: 2.15445323254395
Energy: 2.1635192561789895
Energy: 2.2067713354919523
Energy: 2.523481078856924
Energy: 2.207859507889385
Energy: 2.5184198909367344
Energy: 1.7470099952590372
Energy: 1.746401272008922
Energy: 2.206674779914926
Energy: 2.515525897056491
Energy: 1.7525231435985598
Energy: 2.5184464736468293
Energy: 2.2068775366472795
Energy: 1.7495560419121883
Energy: 2.1518465342672592
Energy: 2.5236235329038363
Energy: 1.7504536255008263
Energy: 2.1528450881114396
Energy: 2.1529967134186134
Energy: 1.813152253848474
Energy: 2.181704083304061
Energy: 2.182441351053177
Energy: 2.801598192934519
Energy: 2.182151398907886
Energy: 1.8141353818299446
Energy: 1.953512784235871
Energy: 2.1519140937592223
Energy: 2.5216797369232404
Energy: 2.1560774139897494
Energy: 2.1524685815267497
Energy: 2.1561098765348166
Energy: 1.9731106644649163
Energy: 1.812561098932259
Energy: 2.546195388464584
Energy: 1.7498977078350209
Energy: 2.522194919092436
Energy: 1.8130770302554224
Energy: 1.969714242290102
Energy: 1.8128983161889154
Energy: 2.4918153132728755
Energy: 2.4913399582315767
Energy: 2.153061665681033
Energy: 1.8128989770167927
Energy: 2.221852129029051
Energy: 1.7502494363631385
Energy: 2.1528618856090427
Energy: 1.747114997356937
Energy: 2.152627425581943
Energy: 1.7503079674759174
Energy: 1.7493937999525906
Energy: 2.2069600722481946
Energy: 2.2109156937379115
Energy: 1.7498740093140892
Energy: 2.2216258562342444
Energy: 2.362690440346028
Energy: 1.7501275405090637
Energy: 2.5172152992344308
Energy: 2.206649506202496
Energy: 2.1538040163956715
Energy: 2.206968456308219
Energy: 2.517093776530366
Energy: 2.2278605300515495
Energy: 2.5220611103377895
Energy: 2.206577415938479
Energy: 2.129576123080918
Energy: 2.522525446202807
Energy: 2.2078129617536133
Energy: 2.221498748813885
Energy: 2.5174830276150053
Energy: 2.1531963281324082
Energy: 1.7496253936197945
Energy: 2.153256384322508
Energy: 2.5171564196964775
Energy: 2.2102283589806557
Energy: 2.153649665372866
Energy: 2.1819158324856045
Energy: 1.749686292396543
Energy: 2.1818230162633934
Energy: 2.204991709742561
Energy: 2.210142663359132
Energy: 2.152501304584704
Energy: 2.1520971332934344
Energy: 1.9589022958386244
Energy: 2.151946130254281
Energy: 2.1532692914776805
Energy: 2.2241882120305414
Energy: 2.5455912603203044
Energy: 1.8127017129116778
Energy: 1.8142716435733786
Energy: 2.182278560933208
Energy: 2.517113353103669
Energy: 2.6698628758700496
Energy: 2.153038425420804
Energy: 1.9685444050875485
Energy: 1.944873496978722
Energy: 2.1519685668747894
Energy: 2.517090781598984

minimum gb energy = 1.746401272008922 eV
minimum distance =  2.3768417922825 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 2.574714714886222
Energy: 1.6933573431273734
Energy: 1.6937876381713737
Energy: 1.8900192624475176
Energy: 1.6933513209943947
Energy: 1.6787257493512693
Energy: 2.7191385050315766
Energy: 2.3283620076965024
Energy: 2.0112529196915263
Energy: 2.007513518142955
Energy: 2.1162240518871074
Energy: 2.4344150108574443
Energy: 2.3593522669690357
Energy: 2.383636329034051
Energy: 2.097560612407889
Energy: 2.0068218451020763
Energy: 2.375190852648319
Energy: 2.481755136626926
Energy: 2.3472622830230256
Energy: 2.373509201537044
Energy: 2.0993207004424432
Energy: 2.0060216022680497
Energy: 2.3744440202246087
Energy: 2.4648614218035454
Energy: 2.3466527613210606
Energy: 2.3727252929839246
Energy: 2.39981045288109
Energy: 2.3569265818126954
Energy: 2.373647232608079
Energy: 2.464287345483275
Energy: 2.3543687156701276
Energy: 2.4994329101810786
Energy: 2.3765879942308517
Energy: 2.349209429797232
Energy: 2.3737890197966967
Energy: 2.4153878544236425
Energy: 1.997251259791624
Energy: 2.1049126052437694
Energy: 2.3739115786691753
Energy: 2.002395488876641
Energy: 2.3870034056096276
Energy: 2.1046972055035105
Energy: 1.8859332667534416
Energy: 2.383469780298661
Energy: 2.4004625138846967
Energy: 2.436341755266427
Energy: 2.3872266368970916
Energy: 2.2080880763443393
Energy: 2.0015756687377495
Energy: 1.9919853962982799
Energy: 2.3883328952474985
Energy: 2.4371444983016084
Energy: 2.095755030293294
Energy: 1.994433299239687
Energy: 2.00844468624551
Energy: 1.9900084440773576
Energy: 1.9916998060944673
Energy: 2.415793254515973
Energy: 1.9893507387708953
Energy: 1.9925592254680529
Energy: 1.7785141686503063
Energy: 1.9906026653909665
Energy: 1.9901268245810753
Energy: 2.353848529350932
Energy: 1.9902684531812562
Energy: 1.6942823679714207
Energy: 1.6924846894994947
Energy: 1.693428468941162
Energy: 2.3763401110192817
Energy: 2.4145687532735955
Energy: 2.3240834064181906
Energy: 1.6930452893598997
Energy: 1.7745865512788876
Energy: 1.9891771528096582
Energy: 2.3731789832608
Energy: 2.442099368255883
Energy: 1.9891985628510107
Energy: 1.7730210226249914
Energy: 1.6569350462406651
Energy: 1.6566265169459093
Energy: 2.2994435061860963
Energy: 2.342729919051378
Energy: 1.9907153957401016
Energy: 1.6575203268871663
Energy: 2.0105068137212374
Energy: 2.125340978420541
Energy: 2.4346493776554543
Energy: 2.518834214419918
Energy: 2.37359590600279
Energy: 2.0090490174865474
Energy: 2.010595778951459
Energy: 2.38859183823697
Energy: 2.4047180727210393
Energy: 2.414418821976072
Energy: 2.3832318108989603
Energy: 2.0983880061467555
Energy: 2.0118003924570864
Energy: 2.4051919012328864
Energy: 2.4659484595509826
Energy: 2.3486903451072547
Energy: 2.372057566115962
Energy: 2.105409609736022
Energy: 2.347806391776124
Energy: 2.3737622186045497
Energy: 2.3734583001372567
Energy: 2.3477046139066324
Energy: 2.3736919017360854
Energy: 2.4036877921449253
Energy: 2.717515540308475
Energy: 2.373224185805774
Energy: 2.4285946159815217
Energy: 2.353576384385315
Energy: 2.4975082901827035
Energy: 2.3730491798007542
Energy: 2.002423392367811
Energy: 2.3724317671205375
Energy: 2.0969770341642184
Energy: 1.9934471083730583
Energy: 2.10659654368937
Energy: 2.3732390114629998
Energy: 2.7143501672670425
Energy: 2.3832436551668286
Energy: 2.095710722191682
Energy: 1.9003276879112605
Energy: 2.371893573357511
Energy: 2.400686947092273
Energy: 2.7253651716658704
Energy: 2.094433728420393
Energy: 1.9922964892269548
Energy: 2.0016444928420003
Energy: 1.9920195981399689
Energy: 2.444788049496452
Energy: 2.7083886107501183
Energy: 1.990748653384398
Energy: 1.992311837670143
Energy: 1.6572667601169864
Energy: 1.9923895456171064
Energy: 2.395270172584437
Energy: 2.7090789764480956
Energy: 1.9901262750942372
Energy: 1.9943411570233813
Energy: 1.7721209590681335
Energy: 1.9889757717764434
Energy: 1.992421629368803
Energy: 2.720829821145077
Energy: 2.3253641667036637
Energy: 1.6927464775403471
Energy: 1.6946881946796446
Energy: 1.9940502991478206
Energy: 2.4351255287866365
Energy: 3.087868170578715
Energy: 1.9907653286958393
Energy: 1.6942448225469908
Energy: 1.7780040629973903
Energy: 1.989017892428492
Energy: 2.302454466871879

minimum gb energy = 1.6566265169459093 eV
minimum distance =  2.35634655245983 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 3.0029979069480977
Energy: 1.594767258688074
Energy: 1.5938882477410445
Energy: 1.594448423858053
Energy: 1.5947436075729735
Energy: 2.2633108110219853
Energy: 3.0159976954826084
Energy: 1.9509325481235194
Energy: 1.8242190037221473
Energy: 1.8262347616293038
Energy: 1.9249553241405188
Energy: 2.2437172864547588
Energy: 2.7089894619440056
Energy: 2.179441736331769
Energy: 1.924910455142717
Energy: 1.8244823804591492
Energy: 2.159905889085956
Energy: 2.254566580444788
Energy: 2.683464414813347
Energy: 2.165641576279017
Energy: 1.9250621313649892
Energy: 1.8246127017150375
Energy: 1.924525696394199
Energy: 2.2331004216908332
Energy: 2.699813167016555
Energy: 2.165528776136119
Energy: 2.212990009366001
Energy: 2.1938180921992942
Energy: 2.165778422081265
Energy: 2.2326759559882605
Energy: 2.7088461619476223
Energy: 2.24242726494574
Energy: 2.294329128645201
Energy: 2.190443450542467
Energy: 2.248685716480871
Energy: 2.2418428317635963
Energy: 2.4129480797890843
Energy: 2.24702095476205
Energy: 2.241767827225277
Energy: 2.2482961037176996
Energy: 2.2508899889247944
Energy: 2.2468460372528143
Energy: 2.0988397456615226
Energy: 2.249063856965835
Energy: 2.2687848098194525
Energy: 2.1926286796542946
Energy: 2.2524090637310192
Energy: 2.222226307646709
Energy: 2.412307015737811
Energy: 2.2691192844088746
Energy: 2.2428178095344875
Energy: 2.242042107694277
Energy: 2.241903104267415
Energy: 2.1932808000812694
Energy: 2.0938725640459777
Energy: 2.194266478924868
Energy: 2.1662956770866795
Energy: 2.1892311134333378
Energy: 2.1655673497203884
Energy: 2.1963605844784313
Energy: 1.8212301756905984
Energy: 1.9505526596094631
Energy: 2.1662913637443784
Energy: 2.1904403121318907
Energy: 2.165925425592028
Energy: 1.9254700549451214
Energy: 1.8135648922662353
Energy: 1.924580840891035
Energy: 2.2534528262318205
Energy: 2.251752569121213
Energy: 2.173949739829155
Energy: 1.9264282528351266
Energy: 1.8166943608273889
Energy: 1.8242990089027369
Energy: 1.826518613373455
Energy: 2.248250110222978
Energy: 1.826396346344363
Energy: 1.824160769918396
Energy: 1.5931867011868146
Energy: 1.5942572876778387
Energy: 1.9476938712274732
Energy: 1.9473988797136828
Energy: 1.629275614761639
Energy: 1.5942053271438446
Energy: 1.63371729786162
Energy: 1.825140503668298
Energy: 2.165893202771355
Energy: 2.2552944451012777
Energy: 1.8264857848690719
Energy: 1.5936424541892378
Energy: 1.6344865576556642
Energy: 1.8256651819806562
Energy: 2.1663636131861113
Energy: 2.2540061988628337
Energy: 1.5946801009157856
Energy: 1.5939470409109138
Energy: 1.59333924754819
Energy: 1.5945033918760982
Energy: 1.712423829869953
Energy: 2.234074423012519
Energy: 1.8215740662807522
Energy: 1.5941684532615483
Energy: 1.8259809264125832
Energy: 1.8271180611954256
Energy: 1.827872932559692
Energy: 2.232283178100118
Energy: 1.8271515069139423
Energy: 1.8250126162835076
Energy: 1.8271665697797272
Energy: 1.9246343669002584
Energy: 2.2440528763047416
Energy: 2.24157923439506
Energy: 1.9509765007925313
Energy: 1.9253210165461003
Energy: 1.8172400375566375
Energy: 2.1600091037005726
Energy: 2.165346816070601
Energy: 2.2317457229596642
Energy: 2.1658259760503893
Energy: 1.9252449219145358
Energy: 2.397041553033978
Energy: 1.9508062296217918
Energy: 2.2312361602183772
Energy: 2.2331373321091896
Energy: 2.1651068413523786
Energy: 2.199786611799255
Energy: 2.4061976993402627
Energy: 2.169942609982054
Energy: 2.2427947700671655
Energy: 2.2417289127879094
Energy: 2.2420439686150218
Energy: 2.165966458349583
Energy: 2.413441134396222
Energy: 2.250512468290941
Energy: 2.26836075619489
Energy: 2.1928469098548815
Energy: 2.2535351097849743
Energy: 2.2486499041068595
Energy: 2.4065155562273937
Energy: 2.2473870687425426
Energy: 2.2489923281715885
Energy: 2.0945902572153807
Energy: 2.2415519003375795
Energy: 2.2480324516097125
Energy: 2.7084725612508325
Energy: 2.241911307882591
Energy: 2.248130483902994
Energy: 2.193316076477298
Energy: 2.248043625262265
Energy: 2.2422656116463275
Energy: 2.3892156263188644
Energy: 2.165636244328317
Energy: 2.1955207191160437
Energy: 2.1935523992839703
Energy: 2.1935060570209646
Energy: 2.165877727020215
Energy: 2.3847250837013534
Energy: 2.16597487937813
Energy: 1.9242916441944424
Energy: 1.826247771550998
Energy: 1.9512042956395568
Energy: 2.1658309443746213
Energy: 3.016780778251182
Energy: 2.1737028879618885
Energy: 1.9247284833915186
Energy: 1.924737734788171
Energy: 2.165715085569205
Energy: 2.2539821460772695
Energy: 2.730058975810945
Energy: 1.9510947978387787
Energy: 1.8263499587390506
Energy: 1.8161626259430894
Energy: 1.8277129616786465
Energy: 2.245596428797763
Energy: 2.6822450558524413
Energy: 1.6289171837113972
Energy: 1.551945955787704
Energy: 1.5511375062162052
Energy: 1.5943436792158672
Energy: 1.9485557410118577
Energy: 2.7086906612691326
Energy: 1.8273980038211308
Energy: 1.8256399768363942
Energy: 1.6294608353570867
Energy: 1.8261955190861399
Energy: 2.244733427346087
Energy: 3.0343479435772234
Energy: 2.166020658720332
Energy: 1.594028206963506
Energy: 1.5949242320900447
Energy: 1.596093023516696
Energy: 2.2442815690256044
Energy: 2.6745798520076827
Energy: 1.8261423240642238
Energy: 1.595970751323883
Energy: 1.5946803799784384
Energy: 1.8251722266704553
Energy: 1.5436360135503067

minimum gb energy = 1.5436360135503067 eV
minimum distance =  2.46529029051507 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 2.815783948469329
Energy: 1.4323076888438593
Energy: 1.4290342541141516
Energy: 1.6457326964531245
Energy: 1.4287025128121154
Energy: 1.9329094417141768
Energy: 3.1144349756999814
Energy: 1.4589866534964686
Energy: 1.5964400672451338
Energy: 1.5963565623734255
Energy: 1.6674539394238135
Energy: 1.8714526243698084
Energy: 3.110744119900642
Energy: 1.9482262375150203
Energy: 1.670618394942666
Energy: 1.5897167990037795
Energy: 1.6705112838419305
Energy: 1.9419866701823874
Energy: 2.6212130571470076
Energy: 1.6657217645489286
Energy: 1.6680766901640316
Energy: 1.5943035286540332
Energy: 1.6705046783577338
Energy: 1.9298580655681172
Energy: 2.621134508218889
Energy: 1.6669399963490712
Energy: 1.8742392306219962
Energy: 1.8709438388394684
Energy: 1.869212514330379
Energy: 1.9299289472219732
Energy: 3.1114732507651293
Energy: 1.96101211491693
Energy: 1.9520588294721952
Energy: 1.874231403989366
Energy: 1.952281876990467
Energy: 1.9608231716288131
Energy: 2.8793432667400283
Energy: 1.9613527464820502
Energy: 1.952125336143593
Energy: 1.9494287335366745
Energy: 1.9609318927793897
Energy: 2.00193988652005
Energy: 2.183234890733805
Energy: 1.9624039277442438
Energy: 1.9736758221500101
Energy: 1.9251161079725765
Energy: 1.9461892000028382
Energy: 1.9808669679131838
Energy: 2.878331118422903
Energy: 1.9880204439948235
Energy: 1.9777145462041508
Energy: 1.960130360454106
Energy: 1.9580075615404589
Energy: 1.987214677645162
Energy: 2.6562536460874275
Energy: 1.9823542990609302
Energy: 1.982973828589385
Energy: 1.997285375338544
Energy: 1.983971094441263
Energy: 1.9819091227852366
Energy: 2.190545349078031
Energy: 1.9827761634853798
Energy: 1.998379229125987
Energy: 2.0058913117987065
Energy: 1.9868734081153323
Energy: 1.9836554441432825
Energy: 2.1915754748397895
Energy: 1.994784644842834
Energy: 1.9819395606241694
Energy: 1.9829434709824703
Energy: 1.9844450788752779
Energy: 1.995068666011993
Energy: 2.4267167081620737
Energy: 1.9586773854049557
Energy: 1.9609043775710784
Energy: 1.9874249578961343
Energy: 1.9573016852890313
Energy: 1.9603988359947315
Energy: 1.998619305051727
Energy: 1.9529915467753505
Energy: 1.9587967546922347
Energy: 1.995488552000885
Energy: 1.9595141655352921
Energy: 1.9505251419631124
Energy: 1.992130493210793
Energy: 1.9449591914298303
Energy: 1.9607300308915976
Energy: 1.9885102434190252
Energy: 1.958926736702109
Energy: 1.9536184497920703
Energy: 1.9979902310308653
Energy: 1.9330742666138363
Energy: 1.9655594382136459
Energy: 1.967663532927896
Energy: 1.9651990336720473
Energy: 1.8689304544320409
Energy: 1.9974576156015527
Energy: 1.848092084972114
Energy: 1.9580206012375458
Energy: 1.9582824917427504
Energy: 1.6966988638387521
Energy: 1.8714156086945608
Energy: 1.5972859945956326
Energy: 1.668483152253416
Energy: 1.6672918053649248
Energy: 1.9892921834319528
Energy: 1.6665267722653616
Energy: 1.668698950584773
Energy: 1.5920699361543769
Energy: 1.6687783281665092
Energy: 1.9421282821241757
Energy: 1.9596833822201232
Energy: 1.6964626072836086
Energy: 1.6702666506476391
Energy: 1.6010613300181877
Energy: 1.5968621385768205
Energy: 1.4293515622362098
Energy: 1.719368362914272
Energy: 1.430644439926722
Energy: 1.5980128864090444
Energy: 1.426229384200804
Energy: 1.42781635338307
Energy: 1.6971070286237648
Energy: 1.9582406513910193
Energy: 1.4303806251097242
Energy: 1.4315996838627127
Energy: 1.4562780076875421
Energy: 1.429582425589753
Energy: 1.93438149034526
Energy: 1.9477890393246642
Energy: 1.458453595483435
Energy: 1.4325405141990415
Energy: 1.453423584850538
Energy: 1.4589986022684525
Energy: 1.9337593968478723
Energy: 1.9446737860756065
Energy: 1.4538711557376636
Energy: 1.4534089785845203
Energy: 1.4292333854237813
Energy: 1.4280231579139684
Energy: 1.9312336104229635
Energy: 1.9321708459714129
Energy: 1.428665230283721
Energy: 1.4323005757932856
Energy: 1.5979279700520603
Energy: 1.5968381159163227
Energy: 1.667923460058226
Energy: 1.9919081309007218
Energy: 1.431808523685596
Energy: 1.5982184023343422
Energy: 1.5961259086086987
Energy: 1.6701157112060592
Energy: 1.9402886148027605
Energy: 1.9601746533320032
Energy: 1.9354072360276713
Energy: 1.6681713206144535
Energy: 1.5945109884385202
Energy: 1.6709544547182693
Energy: 1.732234147640124
Energy: 1.9791467365481694
Energy: 1.6678123033241263
Energy: 1.6696093255813322
Energy: 1.9991394982070478
Energy: 1.8702696612135474
Energy: 1.9299112692673064
Energy: 2.0251300872441216
Energy: 1.697777438599788
Energy: 1.8760402523361277
Energy: 1.9817949633108467
Energy: 1.950193561619126
Energy: 1.9505108864905274
Energy: 1.9845897193614421
Energy: 1.9655870258577006
Energy: 1.9265206777515116
Energy: 1.9886770394807305
Energy: 1.9661901266184414
Energy: 2.0030984074930207
Energy: 1.9919570189592444
Energy: 1.959620868881042
Energy: 1.9497471400083095
Energy: 1.9914751487193514
Energy: 1.950007200673634
Energy: 1.977650160202575
Energy: 1.9974355484839583
Energy: 1.96127876529639
Energy: 1.953485306991251
Energy: 2.4263028596691063
Energy: 1.963179098895176
Energy: 1.989758507081341
Energy: 1.9916877673150515
Energy: 1.9601051693185603
Energy: 1.9586318459122984
Energy: 2.4232612280470356
Energy: 1.9822026396557884
Energy: 1.9821463953016345
Energy: 1.9822403865658782
Energy: 1.9841725122723968
Energy: 1.9958505094124892
Energy: 2.4239068706052316
Energy: 1.9869701248593699
Energy: 1.9839891094760864
Energy: 1.9922227732182318
Energy: 1.9853467270339578
Energy: 1.9960701199632347
Energy: 2.8890309945424875
Energy: 1.983034176675654
Energy: 1.9836592084597617
Energy: 1.9917617851684888
Energy: 1.985762106647125
Energy: 1.981756983463573
Energy: 2.85501805919294
Energy: 1.986827099928781
Energy: 1.9623342240023842
Energy: 1.9591625030354576
Energy: 1.9622262074254953
Energy: 1.9866557124863895
Energy: 2.4047640252090545
Energy: 1.9613121669445654
Energy: 1.9537419063928831
Energy: 1.8683860802539107
Energy: 1.9493923694027564
Energy: 1.9942993797011088
Energy: 2.884553406319159
Energy: 1.959694238302546
Energy: 1.9550595220124143
Energy: 1.7849271305520766
Energy: 1.9580098163763504
Energy: 1.989265860140388
Energy: 3.1156653017930576
Energy: 1.9663454959071975
Energy: 1.9308214617689088
Energy: 1.8690981504030353
Energy: 1.949440079877355
Energy: 1.9675928532061984
Energy: 2.848568628851365
Energy: 1.6982931878179688
Energy: 1.870466868983598
Energy: 1.8726439356405324
Energy: 1.8699109532983127
Energy: 1.9591053602290756
Energy: 2.848636430731335
Energy: 1.6689373152424052
Energy: 1.6700386670792753
Energy: 1.5960469671449065
Energy: 1.6669002618018895
Energy: 1.6688985848515812
Energy: 3.1134906903562025
Energy: 1.947444881881542
Energy: 1.66811296739053
Energy: 1.5945885832527673
Energy: 1.6969624877868614
Energy: 1.9629551390916984
Energy: 3.0721640073588383
Energy: 1.4588562617931802
Energy: 1.5962764907964964
Energy: 1.598465577535847
Energy: 1.6677396566907428
Energy: 1.4292704511435326
Energy: 2.8365545861262302
Energy: 1.4295875979465054
Energy: 1.4275886792834434
Energy: 1.4300245914758083
Energy: 1.4282167044414866
Energy: 1.9466565859834433
Energy: 3.1098813592553753
Energy: 1.4604519582856772
Energy: 1.4320853264944107
Energy: 1.453690253638224
Energy: 1.4577463333979714
Energy: 1.9341943299206996
Energy: 3.118166568969103
Energy: 1.6682218998040994
Energy: 1.429172743087998
Energy: 1.4569299693413216
Energy: 1.4375886107319313
Energy: 1.9330283759431193
Energy: 3.0578645783345344
Energy: 1.4317982390727757
Energy: 1.4272080306322952
Energy: 1.4270876185081387
Energy: 1.4276351725827103
Energy: 1.9286086627611532

minimum gb energy = 1.426229384200804 eV
minimum distance =  2.43231527820714 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.5118130800927485
Energy: 0.953276241266054
Energy: 0.7087925912820401
Energy: 0.7088937008381893
Energy: 0.9555167040775279
Energy: 0.5123269301907922
Energy: 2.689683238435093
Energy: 0.7086653845302303
Energy: 0.7348993958141338
Energy: 0.7391693709564026
Energy: 0.7086825340979281
Energy: 0.708953765296774
Energy: 2.690959592858842
Energy: 0.7391904470119757
Energy: 0.7404628859373408
Energy: 0.7097610858600457
Energy: 0.7396050035259022
Energy: 0.7393019312671253
Energy: 0.5125972598359959
Energy: 0.7569875650020594
Energy: 0.7415736677731615
Energy: 0.7384708087804679
Energy: 0.7473140137168661
Energy: 0.5129792591878061
Energy: 0.5589225112466532
Energy: 0.7549203689890778
Energy: 0.7550707893020998
Energy: 0.7550313740372788
Energy: 0.7557422849396079
Energy: 0.5589695378172211
Energy: 2.691648759848016
Energy: 0.7396953458650031
Energy: 0.7394276146033546
Energy: 0.737366880990016
Energy: 0.743669649540701
Energy: 0.7398217022481985
Energy: 0.512731572760778
Energy: 0.7092955553167987
Energy: 0.7389896260440659
Energy: 0.731056283316096
Energy: 0.7110634084841649
Energy: 0.7095609717037262

minimum gb energy = 0.5118130800927485 eV
minimum distance =  2.66696515700191 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 3.0467722938496653
Energy: 1.5940292935718428
Energy: 1.4307660793355546
Energy: 1.7270157182031232
Energy: 1.5952040768469014
Energy: 1.8435257806378267
Energy: 3.0341500219703934
Energy: 1.6105673216698266
Energy: 1.4242931170565873
Energy: 1.441384453454752
Energy: 1.4240503580328738
Energy: 1.8249246384818474
Energy: 3.0100692783236185
Energy: 1.6347778433643136
Energy: 1.4297803973019585
Energy: 1.4412572932333954
Energy: 1.4300756641378527
Energy: 1.8207635720715578
Energy: 3.152800613658518
Energy: 1.614905267858361
Energy: 1.4224139863637213
Energy: 1.4244191030918059
Energy: 1.4223891077622914
Energy: 1.8155257702670162
Energy: 3.1530998426825394
Energy: 1.6156938614414893
Energy: 1.5904094603232308
Energy: 1.587460174810638
Energy: 1.589790049066622
Energy: 1.793598617234559
Energy: 3.0077532852283455
Energy: 1.6292227437554467
Energy: 1.633187364222638
Energy: 1.6257548977317209
Energy: 1.6312902544195105
Energy: 1.8345750871161208
Energy: 3.03657825235171
Energy: 1.8001534761449636
Energy: 1.60447333743178
Energy: 1.5861251041255648
Energy: 1.6028817933751376
Energy: 1.821467191385614
Energy: 2.738306440542128
Energy: 1.7934444878797895
Energy: 1.7945130110785033
Energy: 1.5703373587985492
Energy: 1.7931505301482542
Energy: 1.8719846156246418
Energy: 3.049482715545534
Energy: 1.8357843231077327
Energy: 1.6509078959915713
Energy: 1.8145071973214555
Energy: 1.8275761441714045
Energy: 1.6504893088840904
Energy: 2.994645979519807
Energy: 1.8798094897047086
Energy: 1.796098971563223
Energy: 1.7992922908203528
Energy: 1.8556637707866526
Energy: 1.8789430667760914
Energy: 2.7397447113030204
Energy: 1.8714547723972283
Energy: 1.8711569260110672
Energy: 1.799892743211095
Energy: 1.8724314657962342
Energy: 1.8720421395852098
Energy: 2.7396758903754184
Energy: 1.8709586531309619
Energy: 1.8714707540105302
Energy: 2.050480896063967
Energy: 1.8724097342062145
Energy: 1.8719238144443393
Energy: 2.8201794772748765
Energy: 1.8712448423951322
Energy: 1.878313694568825
Energy: 1.8342885226405636
Energy: 1.8795499767905697
Energy: 1.9008470873815602
Energy: 2.869572917890805
Energy: 1.906092586472384
Energy: 1.872009553400319
Energy: 1.872493405812099
Energy: 1.9481031166185498
Energy: 1.9036773052073104
Energy: 2.3326100927914917
Energy: 1.9044952817254646
Energy: 1.9048378528627286
Energy: 1.9579412378388719
Energy: 1.9043435261884392
Energy: 1.9043953872729924
Energy: 2.334200067611186
Energy: 1.928895654703377
Energy: 1.9051427212459948
Energy: 1.9038802120688867
Energy: 1.9045465965531998
Energy: 1.9056872920923198
Energy: 2.3351574513555637
Energy: 1.8780815544683627
Energy: 1.9053460512693687
Energy: 1.9059448151592666
Energy: 1.9082581426782959
Energy: 1.8717613160213646
Energy: 2.334694665264353
Energy: 1.882737520144931
Energy: 1.8716628997451172
Energy: 1.9246930766092605
Energy: 1.8714393064839296
Energy: 1.8719227805017526
Energy: 2.3346872639990055
Energy: 1.872365104337905
Energy: 1.906492629613938
Energy: 1.9009491113676702
Energy: 1.870793402932164
Energy: 1.8737372801382786
Energy: 1.9336230157637608
Energy: 1.8781028644176296
Energy: 1.871268080466768
Energy: 1.900816038338869
Energy: 1.8720225634021792
Energy: 1.8144188145901452
Energy: 1.9332059243334578
Energy: 1.8159951008162287
Energy: 1.8833087489250966
Energy: 1.9679913271230456
Energy: 1.816309502791673
Energy: 1.7984825168113419
Energy: 1.9335631909273379
Energy: 1.819102465141357
Energy: 1.8474499904303288
Energy: 1.9121069007167462
Energy: 1.8312559737313037
Energy: 1.6512761896620383
Energy: 1.5721503772620367
Energy: 1.794607364246394
Energy: 1.8364372518851024
Energy: 1.9150750486196597
Energy: 1.793730698995127
Energy: 1.641705473341311
Energy: 1.5686669948956011
Energy: 1.5774189232291524
Energy: 1.8259321460051445
Energy: 1.9023258678100605
Energy: 1.633727582805626
Energy: 1.5780077522753047
Energy: 1.5810925679811947
Energy: 1.636215063288942
Energy: 1.6177106986775045
Energy: 1.8715025492833113
Energy: 1.6334162214866346
Energy: 1.438324046273896
Energy: 1.5855469319944493
Energy: 1.5785612078701774
Energy: 1.7704250487814641
Energy: 1.8351215094744697
Energy: 1.579538420943238
Energy: 1.5898750957892491
Energy: 1.4436999327035032
Energy: 1.4148817678399284
Energy: 1.7711767214377938
Energy: 1.835681406251024
Energy: 1.5795444071702178
Energy: 1.424216412470079
Energy: 1.4417691462401865
Energy: 1.4401939104941917
Energy: 1.8077748298405412
Energy: 1.8728741952935577
Energy: 1.440807568717716
Energy: 1.4403052215892425
Energy: 1.4249709972429148
Energy: 1.4247395446344182
Energy: 1.632146667107365
Energy: 1.9005556774877423
Energy: 1.6067237548922462
Energy: 1.4247505674078627
Energy: 1.4343942497273088
Energy: 1.5894827221147176
Energy: 1.7934210815090883
Energy: 1.870893846523895
Energy: 1.5778325508602946
Energy: 1.5917735882405986
Energy: 1.5809404830660467
Energy: 1.6381844770355607
Energy: 1.7864128512859914
Energy: 1.8753759556836076
Energy: 1.6421820562357126
Energy: 1.6417102973673687
Energy: 1.5848126177648494
Energy: 1.615983838462001
Energy: 1.6566377566032273
Energy: 1.9682226324480272
Energy: 1.6232938231830267
Energy: 1.5900899223835385
Energy: 1.6234190777408657
Energy: 1.6400883209611998
Energy: 1.793306520671747
Energy: 1.9031024114721387
Energy: 1.7934384545604498
Energy: 1.6192166090877682
Energy: 1.9358220436624702
Energy: 1.7946266765552032
Energy: 1.8553416563360918
Energy: 1.8723193981296984
Energy: 1.8554105794020648
Energy: 1.7961342060378773
Energy: 1.9337621547496406
Energy: 1.817776523557463
Energy: 1.8268761261109474
Energy: 1.9690562388386108
Energy: 1.818579712412008
Energy: 1.6512129745711326
Energy: 1.9374175791997406
Energy: 1.8189331867382137
Energy: 1.8726342336697634
Energy: 1.8728612514466003
Energy: 1.8721228485583474
Energy: 1.7933777735942786
Energy: 2.153885044149549
Energy: 1.8744750759616777
Energy: 1.8720727877452346
Energy: 1.9041997396411612
Energy: 1.8724076387970159
Energy: 1.8739584424539724
Energy: 2.1425788631522495
Energy: 1.8700729233746014
Energy: 1.877177669563985
Energy: 1.9260930237844758
Energy: 1.8765519870060916
Energy: 1.8723007233932032
Energy: 2.3992705127166785
Energy: 1.8708960004185673
Energy: 1.9050646543174838
Energy: 1.9073488911479128
Energy: 1.923594784096178
Energy: 1.874215191694769
Energy: 2.373588141953061
Energy: 1.9049059632645435
Energy: 1.9055486824678682
Energy: 1.8708313333989914
Energy: 1.909300951743043
Energy: 1.942913456586645
Energy: 2.534760901076319
Energy: 1.904638297393643
Energy: 1.903974895440237
Energy: 1.9051070939907182
Energy: 1.9056754339047919
Energy: 1.9044099201325257
Energy: 2.5349393089833985
Energy: 1.9041086318687734
Energy: 1.9042285125863085
Energy: 1.872894916451969
Energy: 1.9081440199330608
Energy: 1.9046703711412936
Energy: 2.7773349986630094
Energy: 1.8721706575202515
Energy: 1.871286881941532
Energy: 1.8720589667484913
Energy: 1.9072260474492055
Energy: 1.9059070655954184
Energy: 2.778135280083208
Energy: 1.8720844648038084
Energy: 1.8807869065069498
Energy: 1.8724045789193486
Energy: 1.878037776076684
Energy: 1.900823680193679
Energy: 2.6113737873446903
Energy: 1.8721840356404278
Energy: 1.8742778620995015
Energy: 1.7966208338643754
Energy: 1.8719753350103887
Energy: 1.9016269229296907
Energy: 3.0325020516378025
Energy: 1.8719390204374813
Energy: 1.8169503548815937
Energy: 1.7993075922860242
Energy: 1.8147812793516405
Energy: 1.8738483536645836
Energy: 3.0373436971497405
Energy: 1.8224617415410085
Energy: 1.8179737681697166
Energy: 1.8142447028605826
Energy: 1.8247008329573096
Energy: 1.639783552805718
Energy: 2.9435671380511006
Energy: 1.8162500514060753
Energy: 1.7945518539965
Energy: 1.7987018450024885
Energy: 1.7936402184547193
Energy: 1.8337528079378358
Energy: 2.9435887313784765
Energy: 1.8162030576454438
Energy: 1.6035042762202794
Energy: 1.5797273633270468
Energy: 1.6346804339173793
Energy: 1.8358003259701463
Energy: 3.0515781150964205
Energy: 1.8200929682079496
Energy: 1.5905675996002713
Energy: 1.5824771779359372
Energy: 1.6151715853588482
Energy: 1.8540326712437265
Energy: 3.117898503956777
Energy: 1.6310238070708716
Energy: 1.4369723702494908
Energy: 1.5823626764531333
Energy: 1.626619819549329
Energy: 1.8464699538521503

minimum gb energy = 1.4148817678399284 eV
minimum distance =  2.37347169599887 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 3.421648005957051
Energy: 1.827766022797489
Energy: 1.6030954327191322
Energy: 1.7059741152551289
Energy: 1.9070951073582398
Energy: 2.1205270611374796
Energy: 2.808541944963776
Energy: 1.5862933133087165
Energy: 1.5772977461595357
Energy: 1.5980774851612034
Energy: 1.5835573197524457
Energy: 2.0020432212625785
Energy: 3.0537782936154367
Energy: 1.7426505987243017
Energy: 1.594786862546171
Energy: 1.5939826138860755
Energy: 1.5950491909973767
Energy: 2.092829208165374
Energy: 3.1846792085441953
Energy: 1.8258063002390121
Energy: 1.5856122601528695
Energy: 1.5856822202135465
Energy: 1.585264985502154
Energy: 2.0530748683038853
Energy: 2.9590345899597947
Energy: 1.828317552497085
Energy: 1.8160485021190493
Energy: 1.8122545340449931
Energy: 1.825166014193178
Energy: 2.064656006226341
Energy: 3.0546296845877925
Energy: 1.8454670733027037
Energy: 1.735402337402825
Energy: 1.821037105827299
Energy: 1.7347229728104256
Energy: 2.118516406932455
Energy: 2.80635974516252
Energy: 2.084989955995177
Energy: 1.815388913028434
Energy: 1.8202560631184626
Energy: 1.816731667080256
Energy: 2.1062212544142254
Energy: 3.0139001070202434
Energy: 2.0825142992699632
Energy: 2.1310563641317675
Energy: 1.8667898726698207
Energy: 2.0862832498532264
Energy: 2.1352068773158823
Energy: 2.6692452546761865
Energy: 2.1426751730422446
Energy: 1.8901844139056263
Energy: 2.100457744846434
Energy: 2.105601263757129
Energy: 2.181649192313354
Energy: 2.649179870967997
Energy: 2.145945073224973
Energy: 2.0825749779381626
Energy: 2.228696515867719
Energy: 2.1228190899899633
Energy: 2.1417898086108074
Energy: 2.4418582548943513
Energy: 2.14109404120668
Energy: 2.1280278854936494
Energy: 2.2410734422556673
Energy: 2.1445811663864323
Energy: 2.139530055122587
Energy: 2.6502566702689965
Energy: 2.1392164187571145
Energy: 2.141774719934304
Energy: 2.1321762698117923
Energy: 2.1422010441873636
Energy: 2.1416334719645747
Energy: 2.3365157186627217
Energy: 2.075843515563633
Energy: 2.1410833921328556
Energy: 2.1314561962189758
Energy: 2.13972433787897
Energy: 2.011317060049273
Energy: 2.3371735500965514
Energy: 2.015320841340001
Energy: 2.1455246576818374
Energy: 2.117068437411646
Energy: 2.0142414535669237
Energy: 2.0149230107324865
Energy: 2.3360267063106943
Energy: 2.015460373538092
Energy: 2.014930131376033
Energy: 2.234376521696847
Energy: 2.014832178000421
Energy: 2.0147639893927036
Energy: 2.104150057835334
Energy: 2.0143509710888905
Energy: 2.101911966211151
Energy: 2.130980683573963
Energy: 2.0096425896412744
Energy: 2.0147702419949036
Energy: 1.9219244789975085
Energy: 1.967500433964557
Energy: 2.0091022212777636
Energy: 2.1330785362652307
Energy: 2.016057001077535
Energy: 1.9245406878607005
Energy: 1.917915162730103
Energy: 1.5716515564027442
Energy: 2.070742449419972
Energy: 2.154589153427659
Energy: 1.9731658510611705
Energy: 1.5719793096980055
Energy: 1.9238003541503779
Energy: 1.914661003266435
Energy: 2.0686171377310747
Energy: 2.114862259807907
Energy: 2.0549934813397104
Energy: 1.9159999164043162
Energy: 1.7181499263421351
Energy: 1.6879245691108467
Energy: 2.055186967824476
Energy: 2.114763630341633
Energy: 2.0186518674383978
Energy: 1.68736946461711
Energy: 1.7296908962919664
Energy: 1.7197937505713108
Energy: 2.068020700213191
Energy: 2.229066033245195
Energy: 1.7207823702202272
Energy: 1.5711703528058703
Energy: 1.7064951527691665
Energy: 1.7316353277707364
Energy: 1.7368174203231648
Energy: 2.1173774531103113
Energy: 1.7335238644721758
Energy: 1.7141546101235505
Energy: 1.7218680003800186
Energy: 1.75561932241118
Energy: 2.0649258725922817
Energy: 2.158446966178639
Energy: 1.731050305478583
Energy: 1.7580529107079028
Energy: 1.829601471837225
Energy: 1.743645213308864
Energy: 1.744036229333986
Energy: 2.2433889115972723
Energy: 1.743677563738198
Energy: 1.7491038430325743
Energy: 1.8318557292898128
Energy: 1.7406958056139001
Energy: 2.132617395390919
Energy: 2.2313839046393933
Energy: 1.7430081950628877
Energy: 1.740842159888077
Energy: 1.8302977157725906
Energy: 1.7908785900330166
Energy: 2.1161686874838166
Energy: 2.130801450102204
Energy: 2.089767977902265
Energy: 1.726988753547984
Energy: 2.350014774082323
Energy: 2.092353127596596
Energy: 2.1161123819237555
Energy: 2.131698418864989
Energy: 2.1155414806214634
Energy: 2.0920815189365665
Energy: 2.16141530530248
Energy: 2.0959811399220074
Energy: 2.1168071929051244
Energy: 2.2852768619132475
Energy: 2.1170267346042055
Energy: 1.7971048011989925
Energy: 2.3485142866013793
Energy: 2.1174250250266993
Energy: 2.1338453374900808
Energy: 2.2988125234044405
Energy: 2.1469062232272402
Energy: 2.090644381276705
Energy: 2.3143204031558606
Energy: 2.1851310661287515
Energy: 2.1353904517628552
Energy: 2.121952288239632
Energy: 2.1358042223331077
Energy: 2.173279217414307
Energy: 2.72947122695396
Energy: 2.1334396106440843
Energy: 2.1504932624969832
Energy: 2.2899352857781765
Energy: 2.150850712798195
Energy: 2.1317431927502626
Energy: 2.7696090347068227
Energy: 2.1352806727912106
Energy: 2.0932872269315066
Energy: 2.1124736176728964
Energy: 2.1231033965321333
Energy: 2.1356668687759663
Energy: 2.769709686656526
Energy: 2.109041459296943
Energy: 2.015303223876943
Energy: 2.113336438896381
Energy: 2.0954971999728245
Energy: 2.13763843605407
Energy: 2.786361564069727
Energy: 2.1088239728040543
Energy: 2.0888888517697017
Energy: 2.1120393898084187
Energy: 2.0948380170212415
Energy: 2.1117344466730454
Energy: 2.72411875598564
Energy: 2.093800683491511
Energy: 1.8083135236209829
Energy: 1.800870466465914
Energy: 1.881954539693699
Energy: 2.101930743734321
Energy: 2.7677446079807115
Energy: 2.024365354897893
Energy: 1.8066763690293939
Energy: 1.8009609306740857
Energy: 1.8359599105727478
Energy: 2.1502963635205985
Energy: 2.8081886105029166
Energy: 1.8781987476963447
Energy: 1.5974331350759727
Energy: 1.835493407580087
Energy: 1.8652657750468018
Energy: 2.005384510670139
Energy: 3.2960645466215355
Energy: 1.807791087296398
Energy: 1.8067098395701533
Energy: 1.575702188677575
Energy: 1.8065862262075647
Energy: 2.1015010586291982

minimum gb energy = 1.5711703528058703 eV
minimum distance =  2.43930559706955 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 3.2359982497877877
Energy: 2.0981370275112963
Energy: 1.8123584153617383
Energy: 1.7103435610927107
Energy: 2.1002962568053123
Energy: 2.3372258955600476
Energy: 2.8673614032971906
Energy: 1.6939218967751775
Energy: 1.6870914139943198
Energy: 1.703220256117896
Energy: 1.6874917042840907
Energy: 2.184380748907279
Energy: 3.017636081847701
Energy: 1.8584449679141022
Energy: 1.7046503016702161
Energy: 1.7045447926588153
Energy: 1.7054386050574826
Energy: 2.2887466248657913
Energy: 3.004177209042555
Energy: 1.986318740863247
Energy: 1.6901584283144535
Energy: 1.6901064991610215
Energy: 1.6901367080333056
Energy: 2.26077587432909
Energy: 3.157611793863854
Energy: 1.9902459061180864
Energy: 1.987089229957712
Energy: 1.9938481522200462
Energy: 1.9896132241711437
Energy: 2.2631684571414796
Energy: 3.021745974009273
Energy: 1.9902086427707868
Energy: 1.99162698780993
Energy: 1.993610896685765
Energy: 1.9902211934255656
Energy: 2.3581266578746676
Energy: 2.8631172360448702
Energy: 2.308251615400486
Energy: 1.9846587321925844
Energy: 1.9932930694520923
Energy: 1.984535595061802
Energy: 2.3228796135458443
Energy: 2.8211569767463662
Energy: 2.2909441376374056
Energy: 2.292088733501365
Energy: 2.0477153573529927
Energy: 2.292195165887843
Energy: 2.2911725488486288
Energy: 2.6542217761467386
Energy: 2.3620004625122677
Energy: 2.304930471849638
Energy: 2.307004022703179
Energy: 2.308053354793996
Energy: 2.267312642664295
Energy: 2.657055209433954
Energy: 2.215072781102347
Energy: 2.2909270048591996
Energy: 2.3672062495137873
Energy: 2.2688640583270523
Energy: 2.202206292472852
Energy: 2.655223695277612
Energy: 2.2060616077124005
Energy: 2.215926726348721
Energy: 2.4570634297506038
Energy: 2.2028687920151975
Energy: 2.20377438547564
Energy: 2.656394806844035
Energy: 2.205931951962517
Energy: 2.203153158401739
Energy: 2.304916852845178
Energy: 2.2025638197991477
Energy: 2.205989052372709
Energy: 2.119373381015757
Energy: 2.1977474402518955
Energy: 2.29385282499764
Energy: 2.303798453145487
Energy: 2.20169330455309
Energy: 2.112102704231625
Energy: 2.1200899818322863
Energy: 2.113451398516583
Energy: 2.2027650524247067
Energy: 2.2866059482872663
Energy: 2.1536757307213352
Energy: 2.11285396725419
Energy: 2.124734071571622
Energy: 2.156874484745987
Energy: 2.308710929863698
Energy: 2.2939070827389454
Energy: 1.9913141558357035
Energy: 1.9804959712769692
Energy: 1.8323899447056626
Energy: 2.1026688971795027
Energy: 2.2210163513155736
Energy: 2.282682953173477
Energy: 2.2213485546937815
Energy: 1.869716554134754
Energy: 1.8429524902767473
Energy: 1.6579103048548889
Energy: 2.2657505676582175
Energy: 2.3750564651459514
Energy: 1.8427818653256596
Energy: 1.657801548269832
Energy: 1.8476403003375217
Energy: 1.8651572740702558
Energy: 1.6668569574463057
Energy: 2.3663315138840484
Energy: 1.8638013212502333
Energy: 1.8493378328246666
Energy: 1.838051311524874
Energy: 1.870279183404202
Energy: 1.890402734210914
Energy: 2.283952239864442
Energy: 1.8907571870635744
Energy: 1.8497421890038415
Energy: 2.002624285475397
Energy: 1.8908035664544023
Energy: 1.8881113719500349
Energy: 2.284014560044678
Energy: 1.88797154944808
Energy: 1.8909412580814906
Energy: 2.0024678720990305
Energy: 1.8731745303392766
Energy: 1.890402073931685
Energy: 2.553407474913042
Energy: 1.8908824636507988
Energy: 1.8732539478714476
Energy: 2.0033214936593517
Energy: 1.8820830312528032
Energy: 2.315405625412914
Energy: 2.5533163337527283
Energy: 1.9624923459242576
Energy: 1.8829743803343462
Energy: 2.0533249899218875
Energy: 1.9664170768078635
Energy: 2.3226854145969713
Energy: 2.2910534493449215
Energy: 2.32655925395923
Energy: 1.9663565886212466
Energy: 2.4312331463177226
Energy: 2.315309573930015
Energy: 2.3149776443560404
Energy: 2.2883600636962314
Energy: 2.3155590989407524
Energy: 2.300840240845929
Energy: 2.50975303305869
Energy: 2.300610568775047
Energy: 2.293542894101679
Energy: 2.3657125687746827
Energy: 2.3405026839640763
Energy: 2.297548590027202
Energy: 2.6347102216021896
Energy: 2.3023225200143385
Energy: 2.2959149503667415
Energy: 2.3449378815312727
Energy: 2.2955569785534315
Energy: 2.303223414303607
Energy: 3.153951171445732
Energy: 2.296163971775346
Energy: 2.294039358061174
Energy: 2.3451651923524817
Energy: 2.293310599925583
Energy: 2.2959163242578375
Energy: 3.156788805927994
Energy: 2.293931350849211
Energy: 1.974285175832783
Energy: 1.9744495931909445
Energy: 2.0525411107099956
Energy: 2.308008730549796
Energy: 3.0373723776952937
Energy: 2.210188462372362
Energy: 1.9734920529898088
Energy: 1.974113738147358
Energy: 2.0045382991016143
Energy: 2.3663295185363173
Energy: 2.8651169356298527
Energy: 1.9859045612754618
Energy: 1.686398858406785
Energy: 2.0092102920643904
Energy: 1.9778052050615798
Energy: 2.178250517668949
Energy: 3.1366564320576247
Energy: 1.9743477941019174
Energy: 1.9737506166732959
Energy: 1.7054340845518212
Energy: 1.9738688261921578
Energy: 2.1360463314606584

minimum gb energy = 1.657801548269832 eV
minimum distance =  2.39967846642464 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.727551524263727
Energy: 2.2093981781818464
Energy: 1.853859899689961
Energy: 1.8189413091339333
Energy: 2.206848976501256
Energy: 2.52924957041464
Energy: 2.6746910823730405
Energy: 1.8043562249293796
Energy: 1.8199992600045118
Energy: 1.8219270939974792
Energy: 1.8043048311299523
Energy: 2.5495455057766425
Energy: 2.673997384768482
Energy: 2.2362791773340276
Energy: 1.8280698291143596
Energy: 1.8286777318918983
Energy: 1.8281336329479405
Energy: 2.202088448376047
Energy: 3.0981022546166797
Energy: 2.213192520978285
Energy: 1.8047215521348785
Energy: 1.8038060957093949
Energy: 1.8052842822354673
Energy: 2.5255730727311354
Energy: 3.097846428108089
Energy: 2.2011212080283085
Energy: 2.2095190481691516
Energy: 2.2102612775238915
Energy: 2.178640171397534
Energy: 2.524699232229684
Energy: 2.678081584060255
Energy: 2.2018173322262924
Energy: 2.20125183172919
Energy: 2.220245497855463
Energy: 2.201510390838415
Energy: 2.562887207117724
Energy: 2.674725997962794
Energy: 2.5502886807939245
Energy: 2.217669266314025
Energy: 2.2209230672639944
Energy: 2.202717252079173
Energy: 2.542354032460494
Energy: 2.209784710347316
Energy: 2.537452780079993
Energy: 2.5700467470173693
Energy: 1.8058796077773196
Energy: 2.546346295381893
Energy: 2.549682663345399
Energy: 2.2197888815366764
Energy: 2.5428594389999795
Energy: 2.5384152661667776
Energy: 2.6318443326845897
Energy: 2.542136108206439
Energy: 2.5701053366820976
Energy: 2.221089559465495
Energy: 2.213042498251138
Energy: 2.542035341529214
Energy: 2.63115109219548
Energy: 2.551341074422928
Energy: 2.1846865934032946
Energy: 2.215551477399465
Energy: 2.201111365444165
Energy: 2.5445549757486368
Energy: 2.70364464719236
Energy: 2.2126405550241746
Energy: 2.2028024177335643
Energy: 2.2198525215255764
Energy: 2.184525720206346
Energy: 2.2124295772203535
Energy: 2.5990135369318823
Energy: 2.211702924672716
Energy: 2.189280079281238
Energy: 1.8173731413129293
Energy: 1.818082291032705
Energy: 2.5150655183388104
Energy: 2.5403304608645016
Energy: 2.1846635135166617
Energy: 1.8174601771262606
Energy: 1.8146484834441847
Energy: 1.803885565758069
Energy: 2.551155024481295
Energy: 2.7049535351434186
Energy: 1.839066464256245
Energy: 1.804825555931632
Energy: 1.8038800136031903
Energy: 1.8040052570144995
Energy: 2.2026143335112742
Energy: 2.703938455294881
Energy: 1.804337274144256
Energy: 1.8035432711894335
Energy: 1.804156381703031
Energy: 1.807103827926145
Energy: 2.531346196900691
Energy: 2.5292008006107087
Energy: 2.178523930411913
Energy: 1.8044332429981125
Energy: 2.2152837483673737
Energy: 2.200746740851445
Energy: 2.202005130586582
Energy: 2.7030091494870043
Energy: 2.201874428093614
Energy: 2.20215938016403
Energy: 2.215626525659273
Energy: 2.2007112040861823
Energy: 2.2456932536829872
Energy: 2.220615384200647
Energy: 2.2012899175565233
Energy: 2.2009405432583384
Energy: 2.21648956121481
Energy: 2.2488709012653505
Energy: 2.549937789944224
Energy: 2.546402740943609
Energy: 2.5349057490999143
Energy: 2.184259062467571
Energy: 2.6749124374282176
Energy: 2.5420612389740738
Energy: 2.5497811987955843
Energy: 2.546206946887107
Energy: 2.5348888356233554
Energy: 2.5422894773791804
Energy: 2.630874803903898
Energy: 2.5418279082520043
Energy: 2.2473229794240606
Energy: 2.2204787756878823
Energy: 2.543671244560615
Energy: 2.5385746189834664
Energy: 2.674843374185834
Energy: 2.5424428532069054
Energy: 2.1847695295056453
Energy: 2.2200910867574524
Energy: 2.2122442694572904
Energy: 2.5419066792689895
Energy: 2.674311799886497
Energy: 2.2015447085824333
Energy: 2.2334239614452045
Energy: 2.2201938742701643
Energy: 2.234109639248492
Energy: 2.5449308735208787
Energy: 2.629597882104035
Energy: 2.1845224321551244
Energy: 2.185944559489912
Energy: 1.8466074840794766
Energy: 2.1848073263510073
Energy: 2.539061446464926

minimum gb energy = 1.8035432711894335 eV
minimum distance =  2.41141966002277 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 3.6463610319335964
Energy: 2.475783785580584
Energy: 2.0050998367733857
Energy: 2.3790104598923345
Energy: 2.074472158634809
Energy: 2.867571959854699
Energy: 2.029691339198411
Energy: 1.971717706614333
Energy: 1.9513736943769875
Energy: 1.9503891376041038
Energy: 1.9604937648954028
Energy: 2.4781937323163974
Energy: 2.021588349888098
Energy: 1.9524617562266477
Energy: 1.9507731773261603
Energy: 1.9492758052854682
Energy: 1.9483348746940141
Energy: 2.1862915638965905
Energy: 2.6258908861854917
Energy: 2.477830133931557
Energy: 1.9533839247355353
Energy: 1.9819851659267451
Energy: 1.9826707534937424
Energy: 2.4788554135893004
Energy: 2.689939542171273
Energy: 2.47869547256929
Energy: 2.4511670170905457
Energy: 2.004476292929135
Energy: 2.468170343628674
Energy: 2.4745626392419746
Energy: 2.0287978520367083
Energy: 2.1816090919355235
Energy: 2.498535026717571
Energy: 1.934775186811165
Energy: 2.475176827168156
Energy: 2.489857338895763
Energy: 2.028589895631796
Energy: 2.513292595513895
Energy: 2.4460137570417997
Energy: 2.0059599891989945
Energy: 2.1798799105060875
Energy: 2.478603328423416
Energy: 2.004455398084792
Energy: 2.4737466044503447
Energy: 2.500156471563063
Energy: 2.031039848613545
Energy: 2.474074288828692
Energy: 2.47464993237321
Energy: 2.02937803785143
Energy: 2.477138176275311
Energy: 2.8569569594469373
Energy: 2.854497455103334
Energy: 2.477204519345534
Energy: 2.4780551662351353
Energy: 2.0022870988185955
Energy: 1.9486953537029499
Energy: 2.4736367509803063
Energy: 3.1203933813845275
Energy: 1.984252403218982
Energy: 1.9845397202796327
Energy: 1.9561025506630207
Energy: 1.9570542202647794
Energy: 2.498037418448041
Energy: 2.0226894786338288
Energy: 1.952618014878625
Energy: 1.9525362794175323
Energy: 1.9831079301526973
Energy: 1.9825975216741787
Energy: 2.44624824816531
Energy: 2.6611730588884326
Energy: 2.4773920139023384
Energy: 1.9824174415114926
Energy: 2.0063731362922836
Energy: 2.446398586412623
Energy: 2.4783046685462486
Energy: 2.661689495220073
Energy: 2.4766973899494817
Energy: 2.0051179465657007
Energy: 1.9346491596775217
Energy: 2.503551923840066
Energy: 2.1745927681720065
Energy: 2.056727520012869
Energy: 2.4985386998013674
Energy: 1.9360092293300224
Energy: 2.0049433217887263
Energy: 2.4740228248443836
Energy: 2.4798977812362164
Energy: 2.029909270531837
Energy: 2.203334316064272
Energy: 2.4480070747691003
Energy: 2.028759449349717
Energy: 2.1824968309341153
Energy: 2.5017060808336824
Energy: 2.4456287359790316
Energy: 2.475591888809067
Energy: 2.030842665059449
Energy: 2.0178190665798197
Energy: 2.4794765551769413
Energy: 2.4795397601809634
Energy: 2.028803285790147
Energy: 2.4769429569061447
Energy: 2.8532989058361835

minimum gb energy = 1.9346491596775217 eV
minimum distance =  2.44018395264567 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.681370424758315
Energy: 2.443664908187433
Energy: 2.1500307779356476
Energy: 2.1501712366311923
Energy: 2.150730167748277
Energy: 3.020883157804509
Energy: 2.0657901033406656
Energy: 2.0779453948491047
Energy: 2.069571805140467
Energy: 2.0699333448606123
Energy: 2.0690835844883435
Energy: 2.3879409074085562
Energy: 2.4236276541926567
Energy: 2.4146871344763845
Energy: 2.0646738643979
Energy: 2.0642372551820465
Energy: 2.065461279865546
Energy: 2.4465713138016505
Energy: 2.9256290817535033
Energy: 2.775832041619009
Energy: 2.0581162303077365
Energy: 2.0678233998638413
Energy: 2.0490022884693064
Energy: 2.9111300021560798
Energy: 2.9333702917627233
Energy: 2.9113690461106874
Energy: 2.7891140094349822
Energy: 2.0771291209517004
Energy: 2.7867684905000534
Energy: 2.775817199456835
Energy: 2.083530201866718
Energy: 2.083865268934756
Energy: 2.9208144960008715
Energy: 2.563401441036159
Energy: 2.7777011094237274
Energy: 2.082779914250581
Energy: 2.0681154350609177
Energy: 2.066484062469366
Energy: 2.930786075040761
Energy: 3.0043498617869013
Energy: 2.065551667921953
Energy: 2.066256361380341
Energy: 2.0702871923986406
Energy: 2.069560498221931
Energy: 2.0675667370488995
Energy: 2.0672767289375984
Energy: 2.0669021856219167
Energy: 2.0701972299239633
Energy: 2.0951527814173323
Energy: 2.095543466356415
Energy: 2.6005622806045423
Energy: 2.4135031208666473
Energy: 2.3785782541266998
Energy: 2.0954455761115156
Energy: 2.3876931944987883
Energy: 2.066897558123689
Energy: 2.388191294572519
Energy: 2.459645596082046
Energy: 2.388994556542099
Energy: 2.3662458976594607
Energy: 2.3909329000988833
Energy: 2.3789788305027377
Energy: 2.7504572133342964
Energy: 2.0818999126484496
Energy: 2.3753670557840656
Energy: 2.3812725009018996
Energy: 2.3818734080293087
Energy: 2.3762127292385906
Energy: 2.7767095287913763
Energy: 2.766359062901529
Energy: 2.714148912619498
Energy: 2.3697938800074874
Energy: 2.23828654476302
Energy: 2.7833019764270874
Energy: 2.7693586231208327
Energy: 2.59495146326021
Energy: 2.777594207769106
Energy: 2.816082939948339
Energy: 3.1937189190751645
Energy: 2.604439967691053
Energy: 2.0833236865682343
Energy: 2.0618411281722335
Energy: 2.60349925439626
Energy: 2.5756705049817867
Energy: 2.6670484493376563
Energy: 2.0485735069566675
Energy: 2.025497391200212
Energy: 2.0356972414076417
Energy: 2.0349446747343904
Energy: 2.7909004345168613
Energy: 2.212881103386487
Energy: 2.015217947146894
Energy: 2.0150047995238114
Energy: 2.013340070750294
Energy: 2.014504063428475
Energy: 2.8567073826875697
Energy: 2.9251585390845407
Energy: 2.6040975172511236
Energy: 2.080358691939811
Energy: 2.0636996391027322
Energy: 2.058466164343816
Energy: 2.9256622898232623
Energy: 2.9239221849016186
Energy: 2.6050601429842395
Energy: 2.3237555886730856
Energy: 2.1064258428576057
Energy: 2.603020206890059
Energy: 2.9087602113132975
Energy: 2.4043058293765185
Energy: 2.46670165270481
Energy: 2.780543187868898
Energy: 2.6097319201386595
Energy: 2.779862266173643
Energy: 2.36643899813817
Energy: 2.3884179391599414
Energy: 2.3661011194963666
Energy: 2.768010265172318
Energy: 2.3951533424353117
Energy: 2.770970219992977
Energy: 2.3654253058193224
Energy: 2.3874978113199705
Energy: 2.376209836182185
Energy: 2.3771570864361657
Energy: 2.395184551621145
Energy: 2.3731569397316883
Energy: 2.380708965137314
Energy: 2.4298367543384836
Energy: 2.0794777383688503
Energy: 2.6231371070933376
Energy: 2.89988813869054
Energy: 2.378952284818339
Energy: 2.079070343201515
Energy: 2.096232232612888
Energy: 2.078030193279394
Energy: 2.38789340947463
Energy: 2.3219084482385823
Energy: 2.071408546866893
Energy: 2.08735564651525
Energy: 2.0600097752338278
Energy: 2.0651780925322396
Energy: 2.313959676989242
Energy: 2.085489432734572
Energy: 2.0639425813223267
Energy: 2.0655302220144036
Energy: 2.067331156844846
Energy: 2.0685468528833106
Energy: 2.930328497486129
Energy: 2.3496778586512295
Energy: 2.471321780616224
Energy: 2.0575161012757084
Energy: 2.081610730045855
Energy: 2.7875655527422047
Energy: 2.7762071700377264
Energy: 2.5936777401443742
Energy: 2.776428174087126
Energy: 2.08666602630612
Energy: 3.1985319594054578
Energy: 2.776559325712528
Energy: 2.732166309866941
Energy: 2.0879682636467196
Energy: 2.793071797975421
Energy: 2.9015984438838953
Energy: 3.1997894291625215
Energy: 2.768328467441546
Energy: 2.0891457711036874
Energy: 2.066448638717188
Energy: 2.0952720524435837
Energy: 2.786368034072884
Energy: 2.0546839298097694
Energy: 2.062241048916132
Energy: 2.061071896118822
Energy: 2.0628169047812746
Energy: 2.061549217319241
Energy: 2.8875112681089825
Energy: 2.9208993259349514
Energy: 2.3892435413945163
Energy: 2.088379166245131
Energy: 2.0952266760937226
Energy: 2.0669602256079647
Energy: 2.7842908538362465
Energy: 2.923212592145142
Energy: 2.3795178699072435
Energy: 2.0779303464698495
Energy: 2.468840594503629
Energy: 2.376657413589467
Energy: 2.7685521848009897
Energy: 2.393851452066925
Energy: 2.3754435902512356
Energy: 2.373868145725682
Energy: 2.3696347139849125
Energy: 2.3765633446482606
Energy: 2.7525263430471347
Energy: 2.937435222075792
Energy: 2.712095812490543
Energy: 2.3754125235485026
Energy: 2.38346228178085
Energy: 2.3755307561597965
Energy: 2.6115997947575793
Energy: 2.930617267972761
Energy: 2.7788041432880517
Energy: 2.4988959861557203
Energy: 2.2125647343776556
Energy: 2.7782040856116943
Energy: 2.7816498166337285
Energy: 2.434181903458228
Energy: 2.6036685115288942
Energy: 2.901996258379106
Energy: 2.591632478655248
Energy: 2.6025263218537478
Energy: 2.3238684495024247
Energy: 2.0559677650081736
Energy: 2.0102069806881673
Energy: 2.7743144985462664
Energy: 2.5927359865170208
Energy: 2.3028630937116294
Energy: 2.049585049076341
Energy: 2.0095903240858783
Energy: 2.0121579710915
Energy: 2.01122566116986
Energy: 2.2097586519645542
Energy: 2.0112458282406864
Energy: 2.012604969707687
Energy: 2.0231710970366428
Energy: 2.0469209053351722
Energy: 2.7836446917807782
Energy: 2.382207124733843
Energy: 2.0611086301505384
Energy: 2.045758238566426
Energy: 2.078666125804423
Energy: 2.3254576541219993
Energy: 2.767625033052917
Energy: 2.9257293754173
Energy: 2.604275962368943
Energy: 2.081233995217905
Energy: 2.6579662156652706
Energy: 2.7785909554997037
Energy: 2.783954980511678
Energy: 2.395389096907353
Energy: 2.781652477646704
Energy: 2.7718064001133267
Energy: 2.956171113764247
Energy: 2.768193877823038
Energy: 2.361099215316478
Energy: 2.390684731745498
Energy: 2.472516544135704
Energy: 2.7679098773417525
Energy: 2.426331648041406
Energy: 2.3795368659530167
Energy: 2.3765783977899892
Energy: 2.3876232843560334
Energy: 2.3755012233195196
Energy: 2.6010645096983356
Energy: 2.647046776990947
Energy: 2.3883178020122644
Energy: 2.3655340222794115
Energy: 2.3890664315977848
Energy: 2.3757670658772154
Energy: 2.6305323297898284

minimum gb energy = 2.0095903240858783 eV
minimum distance =  2.33032874584398 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 3.095379637803778
Energy: 2.896163049807204
Energy: 2.3731944406117305
Energy: 2.081239756486164
Energy: 2.375605274515214
Energy: 3.044857705455532
Energy: 2.130403270515204
Energy: 2.0775765566551314
Energy: 2.083553562167786
Energy: 2.0862321610902876
Energy: 2.0761595597110047
Energy: 2.534466122693237
Energy: 2.6137681195319797
Energy: 2.5164540948058467
Energy: 2.077417171669074
Energy: 2.0750152255600662
Energy: 2.072316563277508
Energy: 2.5927878380002483
Energy: 2.6095790389260936
Energy: 2.8868819332235214
Energy: 2.076798478521789
Energy: 2.078818874266068
Energy: 2.0808422993605085
Energy: 2.882655159697661
Energy: 2.613926284876866
Energy: 2.8849716358005937
Energy: 2.899638265605413
Energy: 3.065515825738201
Energy: 2.8980199778256193
Energy: 2.8990413907330064
Energy: 2.0775280174861814
Energy: 2.083320306563783
Energy: 2.8600956734984924
Energy: 2.8543132282866313
Energy: 2.8864825578243143
Energy: 2.0779495117275255
Energy: 2.082485931214423
Energy: 2.0770903394385716
Energy: 2.898860677814595
Energy: 2.6153093199111086
Energy: 2.078294560075268
Energy: 2.075640965846933
Energy: 2.0742041088248033
Energy: 2.0739957980893227
Energy: 2.5309143242410914
Energy: 2.0803315467868777
Energy: 2.073853069828776
Energy: 2.0742929697623196
Energy: 2.1253598325926237
Energy: 2.083181477062949
Energy: 2.8922502146126674
Energy: 2.915006931012037
Energy: 2.5365154077048357
Energy: 2.0834001750709494
Energy: 2.6146726660415567
Energy: 2.5391244085130635
Energy: 2.5339478301217215
Energy: 2.6130435042199993
Energy: 2.533258857119974
Energy: 2.54050730204099
Energy: 2.1508430334019044
Energy: 2.531947895932146
Energy: 2.5321326482495703
Energy: 2.6137555581043417
Energy: 2.298877759576771
Energy: 2.524809905244078
Energy: 2.618136722371646
Energy: 2.5321810883625466
Energy: 2.5375993721875147
Energy: 2.5344537028267817
Energy: 2.532031156450109
Energy: 2.532109295785946
Energy: 2.217744556384435
Energy: 2.530755868063729
Energy: 2.532952567216899
Energy: 2.5303321552722946
Energy: 2.526659848455466
Energy: 2.519756899732493
Energy: 3.058145780006391
Energy: 2.538013654359215
Energy: 2.1794650513320257
Energy: 2.180352126241263
Energy: 2.6367355919547038
Energy: 2.858513228995195
Energy: 2.27001932223638
Energy: 2.0799193441964223
Energy: 2.0846421748211106
Energy: 2.0868569356276354
Energy: 2.084442311322757
Energy: 2.5348890400961923
Energy: 2.612745392037043
Energy: 2.073715558349588
Energy: 2.0719440782403504
Energy: 2.0724238602443705
Energy: 2.072346550532442
Energy: 2.6336105325268253
Energy: 2.611117150916388
Energy: 2.8883917663886636
Energy: 2.0786437665419317
Energy: 2.0765496656494067
Energy: 2.0833043137557565
Energy: 2.8839833953252176
Energy: 2.61349246831467
Energy: 2.8853710841405675
Energy: 2.8987294484489916
Energy: 2.126186698862844
Energy: 2.8983043382002487
Energy: 2.8836942895459607
Energy: 2.0776841641296464
Energy: 2.0828652451496703
Energy: 2.862049961989894
Energy: 2.8586632397303444
Energy: 2.9660291699302266
Energy: 2.0766197614009787
Energy: 2.0866032380979482
Energy: 2.078575133903954
Energy: 2.900420974589758
Energy: 2.618780289084998
Energy: 2.078796813432889
Energy: 2.077567740426122
Energy: 2.068349243265901
Energy: 2.067644686921421
Energy: 2.0655938676209233
Energy: 2.076439864507375
Energy: 2.070799788690785
Energy: 2.068365891047797
Energy: 2.1265594758475395
Energy: 2.0825203079493253
Energy: 2.893898931722871
Energy: 2.914827341070935
Energy: 2.534524759594164
Energy: 2.0823825124693562
Energy: 2.61670318749325
Energy: 2.532053007006841
Energy: 2.5384368190369995
Energy: 2.609552743783602
Energy: 2.5377418498095987
Energy: 2.535750186635938
Energy: 2.1459586749779627
Energy: 2.5262007144437506
Energy: 2.29872600170207
Energy: 2.6917242865438737
Energy: 2.526243143002296
Energy: 2.5222401026037065
Energy: 2.621547932124283
Energy: 2.533093744366897
Energy: 2.540123904146287
Energy: 2.5356686170147436
Energy: 2.5323679729827338
Energy: 2.532995330000967
Energy: 2.2133177877803645
Energy: 2.529049918290299
Energy: 2.5303599595128943
Energy: 2.530720854171724
Energy: 2.5258141945263346
Energy: 2.546068670770285
Energy: 3.0579361130748564
Energy: 2.533679443786939
Energy: 2.534536652174657
Energy: 2.181907785825467
Energy: 2.5390552455536595
Energy: 2.8579218693282127

minimum gb energy = 2.0655938676209233 eV
minimum distance =  2.33565371731134 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 2.1819009547072015
Energy: 2.522151820916858
Energy: 2.132903722220729
Energy: 2.1360639387522755
Energy: 2.1306758995853663
Energy: 3.000990341231461
Energy: 2.287326942211391
Energy: 2.1333884185420895
Energy: 2.1212481483847623
Energy: 2.13196317110521
Energy: 2.1428521331507033
Energy: 2.500005399070008
Energy: 2.566160281205604
Energy: 2.539391635436824
Energy: 2.1350262966451297
Energy: 2.1336909737999026
Energy: 2.1336444862192936
Energy: 2.8217747069262753
Energy: 2.398742157613197
Energy: 2.900016695063128
Energy: 2.156860364911603
Energy: 2.156897767649371
Energy: 2.1561271340797807
Energy: 2.8987853789958953
Energy: 2.5740890976357416
Energy: 2.872449390422314
Energy: 2.7539124926417147
Energy: 2.303730768777365
Energy: 2.849667261568716
Energy: 2.7165173630267008
Energy: 2.053842755157345
Energy: 2.058213708157074
Energy: 3.009404842143724
Energy: 2.8600422292868455
Energy: 2.9061114618227957
Energy: 2.0561152426795917
Energy: 2.052103950692105
Energy: 2.0539739236887984
Energy: 2.536149573577871
Energy: 2.3719536764986104
Energy: 2.0575291081652596
Energy: 2.0571023899464462
Energy: 2.0516335433961856
Energy: 2.055504411329179
Energy: 2.5368044334515027
Energy: 2.374544900626465
Energy: 2.0546602336194697
Energy: 2.0563332513486476
Energy: 2.0537978873206173
Energy: 2.0582922300555158
Energy: 2.9108532581558046
Energy: 2.869638774296597
Energy: 2.846059042579272
Energy: 2.056952089190024
Energy: 2.9086261695565896
Energy: 2.8707589355907994
Energy: 2.7541365572546628
Energy: 2.3237061559394605
Energy: 2.866003157248395
Energy: 2.711941921726025
Energy: 2.908628116440186
Energy: 2.844827031966229
Energy: 2.121032829016194
Energy: 2.135876320433638
Energy: 2.15810403437934
Energy: 2.7603251252505236
Energy: 2.5656498755998576
Energy: 2.847043297735911
Energy: 2.143294202622828
Energy: 2.1394331003252276
Energy: 2.141951141661875
Energy: 2.7126426094310023
Energy: 2.6213944396635265
Energy: 2.134743858405675
Energy: 2.1367139523850978
Energy: 2.1366910011901044
Energy: 2.136718837623786
Energy: 2.495239186585116
Energy: 2.5459610981605048
Energy: 2.5130310038791315
Energy: 2.13297120172327
Energy: 2.135926515445927
Energy: 2.1561285065089026
Energy: 2.906935275865249
Energy: 2.1162382865670653
Energy: 2.514355034481029
Energy: 2.5219960990204555
Energy: 2.5041897079828965
Energy: 2.51292957045907
Energy: 2.5007290225360603
Energy: 2.575563850094388
Energy: 2.4208946549823125
Energy: 2.5116759483397995
Energy: 2.5007215398536564
Energy: 2.513229895637959
Energy: 2.4911180779150217
Energy: 2.565788447287567
Energy: 2.5006568558013953
Energy: 2.5274190705735493
Energy: 2.5231623963505965
Energy: 2.422536130484389
Energy: 2.496284426514415
Energy: 2.5670750801058784
Energy: 2.5108767081226744
Energy: 2.49845962336854
Energy: 2.2515302775725394
Energy: 2.5038946083920455
Energy: 2.4928545122494086
Energy: 2.1320889545959942
Energy: 2.132169324888149
Energy: 3.079607216655668
Energy: 3.002773455268953
Energy: 2.5116730026304737
Energy: 2.132757343537766
Energy: 2.1303758043864165
Energy: 2.144130369499432
Energy: 2.132713035281603
Energy: 2.254378481641252
Energy: 2.1338981125266168
Energy: 2.1444818796659226
Energy: 2.1396718289776446
Energy: 2.1351999288862924
Energy: 2.8501840988040703
Energy: 2.4609196322191584
Energy: 2.1389291422923673
Energy: 2.134471088841773
Energy: 2.1559278947360285
Energy: 2.1582321701130724
Energy: 2.898667528040591
Energy: 2.713701278564206
Energy: 2.8977779706540123
Energy: 2.1486708476893206
Energy: 2.2161493880478487
Energy: 2.8464835421802386
Energy: 2.7167651364579415
Energy: 2.502544009960973
Energy: 2.9082828580172317
Energy: 2.753278023819275
Energy: 2.895199292736248
Energy: 2.9088658241342578
Energy: 2.055659133082552
Energy: 2.0540431324876343
Energy: 2.059666924502204
Energy: 3.0094750436572286
Energy: 2.1353386150508316
Energy: 2.0561040601353118
Energy: 2.054563122532727
Energy: 2.0535491732566955
Energy: 2.0553595595991108
Energy: 2.7552191536026696
Energy: 2.3733178957055943
Energy: 2.536877881193636
Energy: 2.0549223175266405
Energy: 2.0529395859169743
Energy: 2.0561387907374122
Energy: 2.582581037337555
Energy: 2.5589410599884586
Energy: 2.847115351814695
Energy: 2.057629454608923
Energy: 2.054336808823933
Energy: 2.0575118321975987
Energy: 2.841852176470554
Energy: 2.3743609986361878
Energy: 2.867394136887742
Energy: 2.7173351301691544
Energy: 2.50417377582665
Energy: 2.8696139268722285
Energy: 2.7548753317361965
Energy: 2.1364587123434857
Energy: 2.1541358222558933
Energy: 2.897012833517549
Energy: 2.761203920143451
Energy: 2.8451084767959074
Energy: 2.1426561805176427
Energy: 2.1393260785036454
Energy: 2.1423258398741867
Energy: 2.8486940884908107
Energy: 2.5656230950659755
Energy: 2.142314559889779
Energy: 2.1431073817833792
Energy: 2.136435875926613
Energy: 2.139471067984637
Energy: 2.1325362244862958
Energy: 2.575693436000455
Energy: 2.125887088955795
Energy: 2.136279812882325
Energy: 2.1357516467144984
Energy: 2.1595161445685886
Energy: 2.9069135467204044
Energy: 2.877911751793177
Energy: 2.511009458161228
Energy: 2.132032261817042
Energy: 2.5709209530554733
Energy: 2.512801486023326
Energy: 2.497189733094064
Energy: 2.363372673438469
Energy: 2.5138755424824444
Energy: 2.5118887677249697
Energy: 2.5590108267100433
Energy: 2.5122088833755623
Energy: 2.4907988424005163
Energy: 2.5752535073389335
Energy: 2.420052022847218
Energy: 2.515110519900133
Energy: 2.5648498987534016
Energy: 2.4909020465839684
Energy: 2.500606122744001
Energy: 2.5019766414960904
Energy: 2.499576995215708
Energy: 2.5282953816725007
Energy: 2.2023701239422135
Energy: 2.5153052384601136
Energy: 2.5108307650907795
Energy: 2.503300789861608
Energy: 2.5115923324297307
Energy: 2.501058289946743

minimum gb energy = 2.0516335433961856 eV
minimum distance =  2.31792899801106 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 2.0710972196536703
Energy: 2.7469867047454133
Energy: 2.082726143100188
Energy: 2.082093623349256
Energy: 2.7573255111417385
Energy: 2.070855187441421
Energy: 2.082672693139203
Energy: 2.368193823381134
Energy: 2.082337196467166
Energy: 2.081944913507585
Energy: 2.081550276455338
Energy: 2.367262260896263
Energy: 2.3686327702123795
Energy: 2.3674353564628614
Energy: 2.0821148024523826
Energy: 2.0827482768256402
Energy: 2.081969873362579
Energy: 2.368251646704851
Energy: 2.3674580081793617
Energy: 2.367621488077414
Energy: 2.082685958118492
Energy: 2.082384367381886
Energy: 2.3683406380626764
Energy: 2.367811296334371
Energy: 2.3672295744910303
Energy: 2.367470317009206
Energy: 2.3697768421839043
Energy: 2.07138137690906
Energy: 2.3670633847478664
Energy: 2.3680483611428196
Energy: 2.0834079425530674
Energy: 2.0819881259749415
Energy: 2.071177863541991
Energy: 2.0711383374446295
Energy: 2.3681739134171758
Energy: 2.081886882580894
Energy: 2.0816961791155344
Energy: 2.082977844531838
Energy: 2.3672297840993353
Energy: 2.0824965615327566
Energy: 2.0820692722040404
Energy: 2.082240898936026
Energy: 2.082621394674094
Energy: 2.0826794427472044
Energy: 2.3689922195713464
Energy: 2.3667021124610854
Energy: 2.367635204810869
Energy: 2.082197612124071
Energy: 2.0821747680188603
Energy: 2.082423098587345
Energy: 2.3675457906261714
Energy: 2.3672203408187613
Energy: 2.366474084561301
Energy: 2.0827214268922107
Energy: 2.0707658849742585
Energy: 2.3676829270221105
Energy: 2.3667304179022706
Energy: 2.367859806186205
Energy: 2.369172259987757
Energy: 2.3689518237201153

minimum gb energy = 2.0707658849742585 eV
minimum distance =  2.47776729646664 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.548868335938811
Energy: 2.277699298329022
Energy: 2.415825666467928
Energy: 2.416797693916809
Energy: 2.4161513210570953
Energy: 2.651959046682094
Energy: 2.425115434372206
Energy: 2.257154302449283
Energy: 2.4178088311476147
Energy: 2.4153813698846394
Energy: 2.418962192044838
Energy: 2.4145804775584137
Energy: 2.4296110324916182
Energy: 2.3247260263687703
Energy: 2.4155512002966297
Energy: 2.4148780236500826
Energy: 2.259436444752044
Energy: 2.4296259130202706
Energy: 2.4206799331363333
Energy: 2.418682013224883
Energy: 2.4160821662236676
Energy: 2.416526153414872
Energy: 2.3194731794183623
Energy: 2.416980404009183
Energy: 2.4298533539109597
Energy: 2.4423769424147888
Energy: 2.4429501088191365
Energy: 2.543734344895977
Energy: 2.4417432858169423
Energy: 2.4302008599990064
Energy: 2.5712884812433385
Energy: 2.5643125334098107
Energy: 2.092660225656353
Energy: 2.0926543992322073
Energy: 2.4308553388300895
Energy: 2.5647133171102365
Energy: 2.8278616249329005
Energy: 2.4178320305878116
Energy: 2.707100264853701
Energy: 2.4162986416312937
Energy: 2.7207019223547073
Energy: 2.4193078047335153
Energy: 2.8570343656752195
Energy: 2.7207755144404624
Energy: 2.110656574957265
Energy: 2.113379336929365
Energy: 2.1085340257991434
Energy: 2.6829571463762214
Energy: 2.859381077783665
Energy: 2.1009129881587136
Energy: 2.0995684120284612
Energy: 2.1038517706358943
Energy: 2.100934449949681
Energy: 2.8253321365531985
Energy: 2.8675304719513983
Energy: 2.100776877758074
Energy: 2.1114631436836926
Energy: 2.1122371512816516
Energy: 2.1058320940592337
Energy: 2.4931879543312894
Energy: 2.7847783588947217
Energy: 2.428133353081311
Energy: 2.1121844537118846
Energy: 2.111904775925519
Energy: 2.560781051346089
Energy: 2.9706575964289033
Energy: 2.5655537758162867
Energy: 2.75290239089529
Energy: 2.9866204455988217
Energy: 2.853064862441818
Energy: 2.753311205549135
Energy: 2.3429489721424455
Energy: 2.202646598545386
Energy: 2.2031115007834723
Energy: 2.5908891158896017
Energy: 2.9603055624576977
Energy: 2.2021512053397214
Energy: 2.202150358995505
Energy: 2.198942821856831
Energy: 2.198469069393386
Energy: 2.3328484616557716
Energy: 2.8499404351894766
Energy: 2.198836096977667
Energy: 2.198548707201481
Energy: 2.2070119185916197
Energy: 2.2025431822127284
Energy: 2.117605360241583
Energy: 2.912944230448695
Energy: 2.4605546857281375
Energy: 2.2075058830324426
Energy: 2.2066795067709064
Energy: 2.847235358388523
Energy: 2.8375955406973343
Energy: 2.9140052053163594
Energy: 2.8404505011236547
Energy: 2.2069710230370085
Energy: 2.9699157321098557
Energy: 2.114300660023924
Energy: 2.119867778961931
Energy: 2.5067701232008166
Energy: 2.119815814232166
Energy: 2.034683623445646
Energy: 3.027416559474297
Energy: 2.392640635115994
Energy: 2.119454405740143
Energy: 2.4306468993677597
Energy: 2.1194858303883986
Energy: 2.034645588666373
Energy: 2.52654740067365
Energy: 2.400886714895033
Energy: 2.3899393192430836
Energy: 2.377944845794557
Energy: 2.391153995910008
Energy: 2.5321192760040363
Energy: 2.531317133648064
Energy: 2.51761353493063
Energy: 2.119747477940513
Energy: 2.430141376895199
Energy: 2.413521598468503
Energy: 2.5164588452680055
Energy: 2.525920298163979
Energy: 2.541786873104532
Energy: 2.5178677158968714
Energy: 2.115293996781517
Energy: 2.5426676756578983
Energy: 2.515248490168501
Energy: 2.523563697952025
Energy: 2.523453490118523
Energy: 2.4485767064843107
Energy: 2.4604841873219465
Energy: 2.527456707743065
Energy: 2.5270117756601276
Energy: 2.8669979373036223
Energy: 2.5344398993906316
Energy: 2.856798243571576
Energy: 2.6738816698128804
Energy: 2.544561544244707
Energy: 2.8516310090557804
Energy: 2.8566643949375288
Energy: 2.8512105112245796
Energy: 2.111246006379854
Energy: 2.1126948821628093
Energy: 2.111369526105659
Energy: 2.79976947811451
Energy: 2.8670182007134755
Energy: 2.638959051040741
Energy: 2.102650309448435
Energy: 2.109751564661299
Energy: 2.101999593472954
Energy: 2.8532734254278265
Energy: 2.8638061250014815
Energy: 2.098600642293453
Energy: 2.1036834390845556
Energy: 2.110616882785351
Energy: 2.1043884319939306
Energy: 2.100984474917494
Energy: 2.8638518489705715
Energy: 2.388301359532151
Energy: 2.1091047960277973
Energy: 2.1137758769897528
Energy: 2.1094131586204266
Energy: 2.9703201185775066
Energy: 2.855228168378892
Energy: 2.6527104176776533
Energy: 2.4874164385043898
Energy: 2.973906119822435
Energy: 2.387222392227563
Energy: 2.6529281142923704
Energy: 2.1040222593197875
Energy: 2.104766773567321
Energy: 2.635586014581409
Energy: 2.633258761889307
Energy: 2.651234287316395
Energy: 2.1036867539305057
Energy: 2.1028937036443835
Energy: 2.097164789615534
Energy: 2.0980193841729076
Energy: 2.86346696713237
Energy: 2.0983583295188724
Energy: 2.1033064536118085
Energy: 2.0977783505618652
Energy: 2.0969050083333016
Energy: 2.5819951640094483
Energy: 2.9115558262070973
Energy: 2.0981164047506327
Energy: 2.099740220669165
Energy: 2.105608305063964
Energy: 2.1057867686207907
Energy: 2.8732320998078125
Energy: 2.8738938792998643
Energy: 2.874572554967923
Energy: 2.10436252107427
Energy: 2.55253552058088
Energy: 2.7304926530401317
Energy: 2.4165391870705677
Energy: 2.9142434962694694
Energy: 2.417602929211621
Energy: 2.737483776237758

minimum gb energy = 2.034645588666373 eV
minimum distance =  2.38791403371549 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 3.1776506414337904
Energy: 2.5389700472471453
Energy: 2.565276915906005
Energy: 2.564298856460714
Energy: 2.5659166100037294
Energy: 2.343364952350846
Energy: 2.4368172432646147
Energy: 2.3703212640628455
Energy: 2.4607216227938524
Energy: 2.434522640041181
Energy: 2.475505425515443
Energy: 2.460556647109963
Energy: 2.437826131876653
Energy: 2.2104352526962106
Energy: 2.4613739992697696
Energy: 2.445336066473364
Energy: 2.36814066899943
Energy: 2.436928324589726
Energy: 2.438372806657325
Energy: 2.476596090267589
Energy: 2.210562332994645
Energy: 2.4542515473190467
Energy: 2.206802683638449
Energy: 2.4772533395060017
Energy: 2.4384492075249278
Energy: 2.4769657725675
Energy: 2.4800095866319114
Energy: 2.264320011869948
Energy: 2.485663747219413
Energy: 2.434355102993991
Energy: 2.436806037693828
Energy: 2.505516347158778
Energy: 2.6269126490796766
Energy: 2.6065563609092126
Energy: 2.439336512201931
Energy: 2.5053091897629884
Energy: 2.871943782023056
Energy: 2.4788076615705372
Energy: 2.8820907750633946
Energy: 2.2817568289457824
Energy: 2.8809286804431276
Energy: 2.482447515266613
Energy: 2.9202133795509853
Energy: 2.8058780078819683
Energy: 2.2208357480425467
Energy: 2.2220377017390085
Energy: 2.2140338351212745
Energy: 2.9516847788726457
Energy: 2.7677793747890074
Energy: 2.217394472934397
Energy: 2.2118327641547215
Energy: 2.2165761220832443
Energy: 2.214143395492399
Energy: 2.7529005046199813
Energy: 2.767312912505632
Energy: 2.1418125091241684
Energy: 2.2203086407690478
Energy: 2.2214031258774924
Energy: 2.012301888104278
Energy: 2.1619490603256155
Energy: 2.8069217780183204
Energy: 2.444280713036549
Energy: 2.4470953817286523
Energy: 2.224113067454893
Energy: 2.4451770025164974
Energy: 2.4255316993078995
Energy: 2.4584996040604095
Energy: 2.026019850218006
Energy: 2.0132899732011436
Energy: 2.716352697846334
Energy: 2.0190424579138515
Energy: 2.432149912475617
Energy: 2.4270777511981794
Energy: 2.026494252419442
Energy: 2.0154030459667704
Energy: 2.716120137200696
Energy: 2.015315406555861
Energy: 2.0264514861426695
Energy: 2.4752176785872617
Energy: 2.390827453829013
Energy: 2.4071999729948437
Energy: 2.5688771942238797
Energy: 2.3851076109520526
Energy: 2.3870225718143634
Energy: 2.4204179092503235
Energy: 2.016713460807596
Energy: 2.604825074232665
Energy: 2.572505685019543
Energy: 2.1586823120519303
Energy: 2.028286381555616
Energy: 2.417084107604272
Energy: 2.60388340657458
Energy: 2.601732855875878
Energy: 2.5755452585982668
Energy: 2.601480960795556
Energy: 2.427155426877233
Energy: 2.857182818395098
Energy: 2.54674215554389
Energy: 2.5676899645859472
Energy: 2.566869117219511
Energy: 2.5679379229341874
Energy: 2.5863296967576233
Energy: 2.8591069136711065
Energy: 2.5564030170626
Energy: 2.568197568026811
Energy: 2.6920838551973048
Energy: 2.5663623029588254
Energy: 2.5543735096431353
Energy: 2.0895938208361824
Energy: 2.092082755386953
Energy: 2.9276660144365474
Energy: 2.927263592029153
Energy: 2.5558611813295156
Energy: 2.091421899015896
Energy: 2.090901736015711
Energy: 2.0823522729278974
Energy: 2.5666385200092567
Energy: 2.678903668691327
Energy: 2.0883321498022114
Energy: 2.08292650258148
Energy: 2.080702144593875
Energy: 2.081066375487815
Energy: 2.085262692784527
Energy: 2.8411426977934284
Energy: 2.0829530019498077
Energy: 2.0783584195994322
Energy: 2.0934762326177014
Energy: 2.0899894814998516
Energy: 2.5595577376344933
Energy: 2.443989784632926
Energy: 2.3669246264625605
Energy: 2.088676810593441
Energy: 2.570082861796693
Energy: 2.496206206476253
Energy: 2.4628071617239753
Energy: 2.823361085235868
Energy: 2.471500940201762
Energy: 2.577512001962785

minimum gb energy = 2.012301888104278 eV
minimum distance =  2.37739014597792 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 3.263069544449871
Energy: 2.9903491656637877
Energy: 2.667629840794049
Energy: 2.6629676844019343
Energy: 2.641757899470002
Energy: 3.1617108364377784
Energy: 2.1813290526405225
Energy: 2.278580833165141
Energy: 2.621933925557388
Energy: 2.59165999752643
Energy: 2.4403585404913866
Energy: 2.6467737783752567
Energy: 2.178845787821277
Energy: 1.966249982292489
Energy: 2.6391352386538824
Energy: 2.403235403260725
Energy: 2.4583125353601316
Energy: 2.1800108448535553
Energy: 2.188495830629261
Energy: 2.1898641717203247
Energy: 2.3244618686609613
Energy: 2.5900458742718695
Energy: 1.9651964613636128
Energy: 2.1932656379820403
Energy: 2.177647326649938
Energy: 2.1938238607681773
Energy: 2.1900190074277956
Energy: 2.620648850302325
Energy: 2.1901301405534945
Energy: 2.18362251071853
Energy: 2.184580686212215
Energy: 2.181043394559146
Energy: 2.8342511493268834
Energy: 2.6360913879774626
Energy: 2.832128821593244
Energy: 2.1877440395723315
Energy: 2.8445065959456177
Energy: 2.1889171458001866
Energy: 2.832850979878911
Energy: 2.6210841289664506
Energy: 2.984340736432648
Energy: 2.3919138943539138
Energy: 2.8433277488960806
Energy: 2.101046807792669
Energy: 2.178287556600737
Energy: 2.1799031819957237
Energy: 2.1792847460673674
Energy: 2.3852639619730014
Energy: 2.619593220433726
Energy: 2.1909930647732176
Energy: 2.1857572972796775
Energy: 2.1903614212237517
Energy: 2.1878247434055282
Energy: 2.5917976721845535
Energy: 2.5949833173150876
Energy: 2.2702388049775077
Energy: 2.1837820759904756
Energy: 2.189045886595869
Energy: 1.964945283834972
Energy: 2.5950736941766066
Energy: 2.5917211581494946
Energy: 2.636216914264258
Energy: 1.9774129432904084
Energy: 2.1806996940886867
Energy: 2.644921374384438
Energy: 2.6380755002705376
Energy: 2.574893218780588
Energy: 2.58437659273647
Energy: 1.9680020916497079
Energy: 2.440009395918117
Energy: 2.5432463899377367
Energy: 2.583369636941421
Energy: 2.678005970811371
Energy: 2.589003421465565
Energy: 2.0145474280337883
Energy: 2.440533480777669
Energy: 2.545328885016258
Energy: 2.8975165102699303
Energy: 2.7850525929957852
Energy: 3.0357864450938714
Energy: 1.9653384922790147
Energy: 1.972137239201444
Energy: 3.043722343228337
Energy: 2.886519723689036
Energy: 2.788648845414204
Energy: 1.9666584591964327
Energy: 1.965888620602184
Energy: 1.9727224224456406
Energy: 1.9655261637256747
Energy: 2.523409530926835
Energy: 2.839542200516516
Energy: 1.9659607467691016
Energy: 1.9654742720588099
Energy: 1.9688036202987116
Energy: 1.9671285096101359
Energy: 2.896386729171343
Energy: 2.5962308985590155
Energy: 2.80425073026713
Energy: 1.9714897555298767
Energy: 1.9712857275061433
Energy: 1.9693684100447848
Energy: 2.624211483623153
Energy: 2.840927412280225
Energy: 2.6419331553638976
Energy: 2.811314579339155
Energy: 2.1823027770915724
Energy: 1.965634704544426
Energy: 2.617054599519628
Energy: 2.6244905724897087
Energy: 2.6112593649816405
Energy: 2.3842285550371796
Energy: 3.159003752754449
Energy: 2.5752038423291306
Energy: 2.6534702145479696
Energy: 2.587274091271527
Energy: 2.6052679577917037
Energy: 2.2804949013188933
Energy: 2.3847993921180204
Energy: 2.288068356078923
Energy: 2.5937941447066075
Energy: 2.3989775854384674
Energy: 2.642247692596693
Energy: 2.1817814488933207
Energy: 2.1825521989088976
Energy: 2.26132319655921
Energy: 2.637868509801537
Energy: 2.5896107536381003
Energy: 1.967038183478183
Energy: 2.1879796420283433
Energy: 2.182425107488875
Energy: 2.189473285709463
Energy: 2.587822812515676
Energy: 2.6214042188339453
Energy: 2.1891999103176523
Energy: 2.1962160570204383
Energy: 2.1802643516965876
Energy: 2.195472648035283
Energy: 2.18664122005013
Energy: 2.8331681254238616
Energy: 3.0879241948717238
Energy: 2.1833589890506255
Energy: 2.18425368759196
Energy: 2.1807965675336707
Energy: 3.0292279092496903
Energy: 2.6228390686073153
Energy: 2.365572252912418
Energy: 2.1933822373121425
Energy: 2.9398295319330057
Energy: 2.1939752473241727
Energy: 2.5201886095033084
Energy: 2.1798185154715477
Energy: 2.1791186612221116
Energy: 3.161113956779736
Energy: 2.7858325605836045
Energy: 2.1804647143754883
Energy: 2.180298168070588
Energy: 2.1882072471347778
Energy: 2.18673802064687
Energy: 1.9659233180542688
Energy: 2.619862952686356
Energy: 2.187794109495888
Energy: 2.1886787218240773
Energy: 2.1882751987927405
Energy: 2.187042831214508
Energy: 2.102457871271407
Energy: 2.595894294484329
Energy: 1.9814658684863529
Energy: 2.1891257406011673
Energy: 2.180706075728032
Energy: 1.9779010941319703
Energy: 2.647004745555416
Energy: 2.5925569520794376
Energy: 2.6379099116849076
Energy: 2.1795142443071613
Energy: 2.5856086398960962
Energy: 1.9764999734229396
Energy: 2.5842108858329937
Energy: 2.5868263316183304
Energy: 2.605170892153117
Energy: 2.182507528380439
Energy: 2.439617537872079
Energy: 2.518110849266768
Energy: 2.577389390697606
Energy: 2.6790821548421864
Energy: 2.5903891403396337
Energy: 2.8443265587430693
Energy: 1.978341937667713
Energy: 1.9662917225652012
Energy: 2.6362074083733766
Energy: 2.7865319566558493
Energy: 3.0359201017996087
Energy: 1.972974653053889
Energy: 1.9716939872712025
Energy: 1.966975125473598
Energy: 1.9830270722990824
Energy: 2.7849760877235856
Energy: 1.9667839756026724
Energy: 1.9715836374724307
Energy: 1.9641798505633212
Energy: 1.9664746503786392
Energy: 1.9652857139735085
Energy: 2.8017376476132236
Energy: 1.967665600009644
Energy: 1.963786705242051
Energy: 1.972771267681539
Energy: 1.9666097940043628
Energy: 2.6361382285228525
Energy: 2.8399991335746595
Energy: 1.9649428857288347
Energy: 1.9710430421476026
Energy: 1.9795708678257746
Energy: 3.041823300090623
Energy: 2.6246465404123343
Energy: 2.842569312678759
Energy: 3.03437570605991
Energy: 2.181952695987264
Energy: 2.8291658052255526
Energy: 2.6761459608925833
Energy: 2.6372582937287583
Energy: 2.637368443367186
Energy: 2.577726204237059
Energy: 3.1598515062989683

minimum gb energy = 1.963786705242051 eV
minimum distance =  2.43601964939227 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 2.990107306484461
Energy: 2.858284834244095
Energy: 2.170088918414981
Energy: 2.1710610467954012
Energy: 2.1703749603540916
Energy: 2.8950504173187
Energy: 2.189893728636194
Energy: 1.786967739301106
Energy: 1.7871613295831656
Energy: 2.1929403028769023
Energy: 1.7867930407937327
Energy: 2.221873897059823
Energy: 2.1945137769289134
Energy: 1.7860607136491198
Energy: 1.7884211413539468
Energy: 1.6901714100544944
Energy: 1.7854999820196786
Energy: 2.229860581230003
Energy: 2.3473892683564714
Energy: 2.313206925533917
Energy: 1.7888310397492202
Energy: 2.228545716941477
Energy: 1.788534365995617
Energy: 2.3144552702262926
Energy: 2.1932868337786724
Energy: 2.1931722782203136
Energy: 2.322221470190984
Energy: 2.1904080499650913
Energy: 2.3225598217875874
Energy: 2.194202285518381
Energy: 2.167901608597501
Energy: 2.1688620026580567
Energy: 2.8458312635749543
Energy: 2.3048433330119535
Energy: 2.8629744585654557
Energy: 2.1692103564461838
Energy: 2.685353587748814
Energy: 2.318995970847804
Energy: 2.3252680935661663
Energy: 2.193103279551154
Energy: 2.320963743899287
Energy: 2.9096874326347977
Energy: 2.6855935537748334
Energy: 2.3269369817381547
Energy: 2.189239416827895
Energy: 2.1927871488798676
Energy: 1.7873968224449668
Energy: 2.892074069152384
Energy: 2.1913731688483624
Energy: 1.786682879506952
Energy: 1.78747778087643
Energy: 1.6915424884624473
Energy: 1.7898626361025052
Energy: 2.222619982778044
Energy: 2.2115338942555516
Energy: 1.7864218463950483
Energy: 1.7879651682262856
Energy: 2.2127424952478867
Energy: 1.7902181667768633
Energy: 2.322052147762013
Energy: 2.2104784188963023
Energy: 2.328575976757245
Energy: 1.787599208540246
Energy: 2.228450255063905
Energy: 2.3264624653691146
Energy: 2.324855672112975
Energy: 2.17452037084085
Energy: 2.172545110403051
Energy: 2.3225426786398526
Energy: 2.3065529480229574
Energy: 2.208810184912798
Energy: 2.1735210429903025
Energy: 2.1750693808695063
Energy: 2.1913044662132815
Energy: 2.3229314578286315
Energy: 2.1943850824538496
Energy: 2.2075785886347767
Energy: 2.1696564430827894
Energy: 2.685324769072909
Energy: 2.3284457308557776
Energy: 2.172766417265257
Energy: 2.2020562658941047
Energy: 1.790336823718993
Energy: 2.8922147660011857

minimum gb energy = 1.6901714100544944 eV
minimum distance =  2.41555617265927 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.987111424263461
Energy: 2.9937260068976186
Energy: 2.4229159784100607
Energy: 2.421148256051069
Energy: 2.419148340461386
Energy: 3.1775757194256924
Energy: 2.1276765707111194
Energy: 2.4467569715673796
Energy: 2.666556956731544
Energy: 2.522783367951375
Energy: 2.4097184259226907
Energy: 2.146445379784504
Energy: 2.1230960004710346
Energy: 2.1474506349424525
Energy: 2.4017582038914562
Energy: 2.604353226221914
Energy: 2.401960207706097
Energy: 2.128754389382763
Energy: 2.1240686767258588
Energy: 2.146857017091299
Energy: 2.1496056039663594
Energy: 2.5226602644171545
Energy: 2.1490648055552257
Energy: 2.1331256944824024
Energy: 2.125196273648186
Energy: 2.1274280956097344
Energy: 2.4406268817491035
Energy: 2.6353141369878426
Energy: 2.1473635233144974
Energy: 2.126273858651574
Energy: 2.1278727795479213
Energy: 2.1284877664152653
Energy: 2.9041148018346865
Energy: 2.6348124872200436
Energy: 2.9005239887474557
Energy: 2.1285954612658013
Energy: 2.4529516949387387
Energy: 2.4273672793518086
Energy: 2.5673215234529247
Energy: 2.6366929376791375
Energy: 2.4171812412303715
Energy: 2.657448492072499
Energy: 2.4536834204449973
Energy: 2.4248876154580077
Energy: 2.4579320233259425
Energy: 2.4583704531743593
Energy: 2.458675608754213
Energy: 2.8980250494849567
Energy: 2.1272454515516306
Energy: 2.129248826034924
Energy: 2.6350561457992865
Energy: 2.77666379621836
Energy: 2.423037204281683
Energy: 2.1279494733996156
Energy: 2.2986578705067138
Energy: 2.2520591470801694
Energy: 2.3950521123068484
Energy: 2.7768618780141727
Energy: 2.394722272238628
Energy: 2.300014154727886
Energy: 2.2999585539628185
Energy: 2.368616273197229
Energy: 2.205154884015191
Energy: 2.2996490198054986
Energy: 2.4169711920338104
Energy: 2.373420935111339
Energy: 2.3004377405258105
Energy: 2.1952951781860834
Energy: 2.368104647099963
Energy: 2.2994995764232
Energy: 2.419437276905026
Energy: 2.3507540376277767
Energy: 2.3454535319443903
Energy: 2.373204447193995
Energy: 2.3460794106809453
Energy: 2.2999705284571617
Energy: 2.369684176869903
Energy: 2.298976127774088
Energy: 2.6320118760882454
Energy: 2.2512737689731432
Energy: 2.2506446169137706
Energy: 2.3049074803063148
Energy: 2.249974782046993
Energy: 2.45348622278213
Energy: 2.4585540162842268
Energy: 2.4078256020490993
Energy: 2.146205099600954
Energy: 2.1281751336047545
Energy: 2.131576230527011
Energy: 2.6354681652789784
Energy: 2.3108090290348606
Energy: 2.3003361803530065
Energy: 3.218500903919815
Energy: 3.1874605854299616
Energy: 2.878980120699092
Energy: 2.311129821351273
Energy: 2.523294931091085
Energy: 2.350113412039763
Energy: 2.4429545938423347
Energy: 2.108919812501359
Energy: 2.4539113221801836
Energy: 2.6357284023547614
Energy: 2.480195585467847
Energy: 2.401907827686561
Energy: 2.1294422345667803
Energy: 2.1228323402802305
Energy: 2.4250665399521782
Energy: 2.6073515236921554
Energy: 2.5226062444499138
Energy: 2.150315462225523
Energy: 2.128610923645755
Energy: 2.128909123647032
Energy: 2.1473657792697676
Energy: 2.408597945816693
Energy: 2.6348419779984376
Energy: 2.147734412549528
Energy: 2.127620435936489
Energy: 2.126197520484903
Energy: 2.14511894149447
Energy: 2.477165665041275
Energy: 2.634880818157475
Energy: 2.9001005269479454
Energy: 2.1307861621766535
Energy: 2.1279807431323787
Energy: 2.4120179491971174
Energy: 2.90484875592677
Energy: 2.6348234359898184
Energy: 2.5672994334183206
Energy: 2.4270680754352103
Energy: 2.4528579400316763
Energy: 2.3963049728926356
Energy: 2.6349483925995414
Energy: 2.3068614447174816
Energy: 2.404328597227218
Energy: 3.21928717553158
Energy: 2.5614331009421596
Energy: 2.895264676636726
Energy: 2.4041562318373852
Energy: 2.776726054882123
Energy: 2.440045238815716
Energy: 2.12835098769376
Energy: 2.127247311580103
Energy: 2.252085446672103
Energy: 2.778313702996798
Energy: 2.7769829710018974
Energy: 2.3939524402644476
Energy: 2.249327535455591
Energy: 2.2992763722601524
Energy: 2.2506348889508834
Energy: 2.935665029743974
Energy: 2.2373535689383712
Energy: 2.416977038389012
Energy: 2.3775663060556855
Energy: 2.2996674121375773
Energy: 2.36825522716733
Energy: 2.2989528279729115
Energy: 2.299714550605807
Energy: 2.4247907753779683
Energy: 2.349757287478595
Energy: 2.2997060359842245
Energy: 2.195935353021422
Energy: 2.345507732020496
Energy: 2.299889641229114
Energy: 2.368177273556876
Energy: 2.1820536357965423
Energy: 2.2373338642755085
Energy: 2.3713009871834725
Energy: 2.344892247449987
Energy: 2.2374955368304983
Energy: 2.2533394944183596
Energy: 2.35016234404798
Energy: 2.631663659591383
Energy: 2.251403616601875
Energy: 2.2518914578773375
Energy: 2.1284548697265366
Energy: 2.66251400659826
Energy: 2.6669953541953886
Energy: 2.4582338220901914
Energy: 2.454186999165149
Energy: 2.1279156457734736
Energy: 2.7766784601455132
Energy: 3.089093891114806
Energy: 2.300683378554608
Energy: 2.3104509872536054
Energy: 2.3022912966676725
Energy: 3.224058950641708

minimum gb energy = 2.108919812501359 eV
minimum distance =  2.48075444326331 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 3.5378542979728427
Energy: 3.096507735888862
Energy: 2.219996084398927
Energy: 2.3298570832271546
Energy: 2.577276853202457
Energy: 3.215601737659287
Energy: 2.221384599591105
Energy: 2.3218552959915573
Energy: 2.3201609305737714
Energy: 2.2212619384008963
Energy: 2.341301034411272
Energy: 2.3196695330750674
Energy: 2.219102539655467
Energy: 2.2845660421512552
Energy: 2.2831230315031403
Energy: 2.2396034786724006
Energy: 2.28366190977235
Energy: 2.2216312176926807
Energy: 2.2208983513027745
Energy: 2.2412265647427154
Energy: 2.277036044974423
Energy: 2.219570986963003
Energy: 2.277489699832074
Energy: 2.245278623860557
Energy: 2.219641191844309
Energy: 2.2419547321858064
Energy: 2.339973846515103
Energy: 2.221118123309689
Energy: 2.34150746551923
Energy: 2.2411004486437114
Energy: 2.219768252646026
Energy: 2.2843672871488523
Energy: 2.742275477182233
Energy: 2.2212469431726465
Energy: 2.747630087612076
Energy: 2.2211358641847228
Energy: 2.2139359194490296
Energy: 2.32961691152768
Energy: 2.220988832266568
Energy: 2.220231902392631
Energy: 2.2209943244010857
Energy: 2.341870725807753
Energy: 2.214217141780833
Energy: 2.241832911625625
Energy: 2.219678117733237
Energy: 2.2199959103488607
Energy: 2.2211405495611656
Energy: 2.3309146586026097
Energy: 2.2190571007996134
Energy: 2.2200892489918527
Energy: 2.306888080307687
Energy: 2.1936569401530672
Energy: 2.743065841072455
Energy: 2.220595379881486
Energy: 2.2186404852357025
Energy: 2.219793715054716
Energy: 2.3066548393759403
Energy: 2.1937916925048526
Energy: 2.2873945485692264
Energy: 2.220135964806412
Energy: 2.193177896841309
Energy: 2.287155257598533
Energy: 2.3204558152335717
Energy: 2.220588026006916
Energy: 2.4955973960424394
Energy: 2.328968076935917
Energy: 2.193210217539156
Energy: 2.322862887440646
Energy: 2.2423722585724017
Energy: 2.2207652238994817
Energy: 2.2433849928826324
Energy: 2.340131783274425
Energy: 2.2201163678045694
Energy: 2.278966196006096
Energy: 2.2757519692501447
Energy: 2.2613020850259575
Energy: 2.2749265611790492
Energy: 2.220332341977168
Energy: 2.2230609951849787
Energy: 2.2853381907491643
Energy: 2.2420785530334686
Energy: 2.2194736752825763
Energy: 2.2802509784736675
Energy: 2.7405484517953824
Energy: 2.219361538767034
Energy: 2.2212990441630285
Energy: 2.3218537728620823
Energy: 2.21977642590714
Energy: 2.7443573998381767
Energy: 2.220905925905481
Energy: 2.553339749044135
Energy: 2.5757779393098326
Energy: 2.5765294954860565
Energy: 2.7253334093729293
Energy: 2.5767707890812934
Energy: 2.553412936270969
Energy: 2.1939471099573633
Energy: 2.2207347132518174
Energy: 2.3194485492580283
Energy: 2.219827857118075
Energy: 2.344701208449639
Energy: 2.2205878699631243

minimum gb energy = 2.193177896841309 eV
minimum distance =  2.43313099441575 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 4.017290666603676
Energy: 2.4615337285141914
Energy: 2.4617492096725346
Energy: 2.464024245734945
Energy: 2.461343781287738
Energy: 3.2714829301735873
Energy: 2.3707271672343415
Energy: 2.487348953139846
Energy: 2.6201572098465076
Energy: 2.4367635953140194
Energy: 2.5975395502153074
Energy: 2.3881057745884715
Energy: 2.371894047458056
Energy: 2.362093591339937
Energy: 2.6364115273021946
Energy: 2.6362609595482005
Energy: 2.4859716441406756
Energy: 2.361027631796257
Energy: 2.3674417485374644
Energy: 2.3621785458891034
Energy: 2.510376786195816
Energy: 2.3234060190546177
Energy: 2.4819533291963056
Energy: 2.3623036157033965
Energy: 2.3673957877683067
Energy: 2.4583094402564796
Energy: 2.4618781470469076
Energy: 2.340455911577574
Energy: 2.443974566617054
Energy: 2.4573845719123777
Energy: 2.3658278822915806
Energy: 2.483987304440745
Energy: 2.472028276039492
Energy: 2.315680226452415
Energy: 2.4873750678438844
Energy: 2.366088376746443
Energy: 2.365793285199169
Energy: 2.321935181822844
Energy: 2.322056471902815
Energy: 2.3252855951782987
Energy: 2.3226749561625537
Energy: 2.539908292934734
Energy: 2.3655957735220703
Energy: 3.0901124451872817
Energy: 2.2527298231675585
Energy: 2.259306943124465
Energy: 2.2514073175767253
Energy: 3.0899971104083384
Energy: 2.531796537725289
Energy: 2.3298024380816473
Energy: 2.4236226531705967
Energy: 2.725941957897273
Energy: 2.4236757550457426
Energy: 2.325285849322175
Energy: 2.5298789811750835
Energy: 2.5134517917981043
Energy: 2.423739954236602
Energy: 2.725568338191264
Energy: 2.4235427810840595
Energy: 2.5293840774366845
Energy: 2.3215907635405615
Energy: 2.770590127577982
Energy: 2.2534357603671245
Energy: 2.2535456640212814
Energy: 2.2537020625376285
Energy: 2.9351241009134026
Energy: 2.321993489510619
Energy: 2.4247487468365545
Energy: 2.2828230913705925
Energy: 2.251639856289948
Energy: 2.177267390584989
Energy: 2.425023433577148
Energy: 2.324950454841081
Energy: 2.3222679033889406
Energy: 2.425013557258774
Energy: 2.367941187779913
Energy: 2.425278372098382
Energy: 2.335550806087944
Energy: 2.3402432951071797
Energy: 2.3253572601369155
Energy: 2.424018691308595
Energy: 2.3679474521212414
Energy: 2.388427344849896
Energy: 2.326248468725942
Energy: 2.458978042813566
Energy: 2.5715178146719695
Energy: 2.2524361683931122
Energy: 2.264527863598723
Energy: 2.4164203071637074
Energy: 2.570805969876457
Energy: 2.454618483420573
Energy: 2.4165684314431486
Energy: 2.4381072647761166
Energy: 2.437395824405789
Energy: 2.4396947366236854
Energy: 2.566758951422365
Energy: 2.3675793871363062
Energy: 2.4395440002830804
Energy: 2.3387921783857286
Energy: 2.3400419796811827
Energy: 2.4866075229912843
Energy: 2.4927245989533384
Energy: 2.366201414527775
Energy: 2.4646353033643513
Energy: 2.3379512915688525
Energy: 2.3237001131885497
Energy: 2.510192775467416
Energy: 2.9751083157905973
Energy: 2.368284658980918
Energy: 2.371157223683234
Energy: 2.4639819407480785
Energy: 2.4905389580714186
Energy: 2.5966358626592205
Energy: 2.5753760745717442
Energy: 2.3670713334720785
Energy: 2.615796134653336
Energy: 2.6174814509084867
Energy: 3.051733781945907
Energy: 2.6169840056047864
Energy: 2.367020914830825
Energy: 2.3678480187479733
Energy: 2.4838980305757605
Energy: 2.4842311871170266
Energy: 2.4336717737354214
Energy: 2.467515614569053
Energy: 2.575178339568724

minimum gb energy = 2.177267390584989 eV
minimum distance =  2.44790679841174 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.3683725864629404
Energy: 2.3305002420776977
Energy: 2.3283462818589973
Energy: 2.33092847722571
Energy: 2.329177970179504
Energy: 3.211862881591454
Energy: 2.1686718820226596
Energy: 2.412769678363355
Energy: 2.2802542624874325
Energy: 2.1812127828975347
Energy: 2.618450797707803
Energy: 2.281423005135861
Energy: 2.1676986168923458
Energy: 2.2620945467430302
Energy: 2.5332494070610894
Energy: 2.5339057653955894
Energy: 2.4130717081062922
Energy: 2.26230778977549
Energy: 2.175243809760301
Energy: 2.262682213456478
Energy: 2.522667030263264
Energy: 2.180580923275096
Energy: 2.4262384540833843
Energy: 2.262540737523373
Energy: 2.166657448881758
Energy: 2.4275278599998917
Energy: 2.3328244508961173
Energy: 2.180000101352772
Energy: 2.3335375687042372
Energy: 2.4262122200662923
Energy: 2.1764889447311684
Energy: 2.346320192937957
Energy: 2.33155926278587
Energy: 2.180494280455435
Energy: 2.3460021587788105
Energy: 2.1756037635519303
Energy: 2.1762571318047237
Energy: 2.42493674128022
Energy: 2.333535323501511
Energy: 2.270635975815119
Energy: 2.330490225411695
Energy: 2.425920907284691
Energy: 2.1761240370220962
Energy: 2.423992289879434
Energy: 2.28064137415881
Energy: 2.1807877750182803
Energy: 2.425551886022598
Energy: 2.4239352566747185
Energy: 2.169515360410252
Energy: 2.263770445746625
Energy: 2.26323529475776
Energy: 2.1805202659927896
Energy: 2.2633209896329705
Energy: 2.2625322067399893
Energy: 2.1683148416780997
Energy: 2.4058715725160686
Energy: 2.6176783888966724
Energy: 2.180605161657281
Energy: 2.4127333337819463
Energy: 2.263616665253905
Energy: 2.474881186706236
Energy: 2.41280413090893
Energy: 2.1815752130070556
Energy: 2.181136707135031
Energy: 2.1813190818097365
Energy: 2.870564800126696
Energy: 2.474778011910885
Energy: 2.6180203683209284
Energy: 2.3145063162328623
Energy: 2.1685161615527737
Energy: 2.1813152531406512
Energy: 2.413111230652909
Energy: 2.328553553931609
Energy: 2.169971782411997
Energy: 2.166555948044296
Energy: 2.164551207036898
Energy: 2.169162485526177
Energy: 2.3291955725634175
Energy: 2.3285543084577855
Energy: 2.180625860067587
Energy: 2.617880271190428
Energy: 2.1658261986339467
Energy: 2.4129401768540033
Energy: 2.1803654268021377
Energy: 2.1663907280243495
Energy: 2.412770934277128
Energy: 2.2628862593993664
Energy: 2.1692256428803844
Energy: 2.261521443636687
Energy: 2.5336684437064445
Energy: 2.1661930341588533
Energy: 2.425279868798403
Energy: 2.262566393561689
Energy: 2.176647849964126
Energy: 2.2628853563774647
Energy: 2.4257869054770578
Energy: 2.1806524247070027
Energy: 2.2843642746151076
Energy: 2.4262407970828437
Energy: 2.3428551555887203
Energy: 2.4273213024822025
Energy: 2.179924230631835
Energy: 2.180240399591864
Energy: 2.3352951954227303
Energy: 2.3365272186438775
Energy: 2.1755497955791814
Energy: 2.3458848610326677
Energy: 2.333104154608346
Energy: 2.247509497805209
Energy: 2.333462058179575
Energy: 2.3365281429862086
Energy: 2.176532172607126
Energy: 2.3371351863198635
Energy: 2.3349078775347056
Energy: 2.1794565008970794
Energy: 2.2809831361264963
Energy: 2.4246161193644014
Energy: 2.4759800740439437
Energy: 2.4265750275726847
Energy: 2.2815798395706395
Energy: 2.1811483618889755
Energy: 2.426567412146574
Energy: 2.2630357196667457
Energy: 2.1759736115225863
Energy: 2.2637585344621804
Energy: 2.426385299098144
Energy: 2.171649479374228
Energy: 2.413232588446364
Energy: 2.262250717775612
Energy: 2.1687715873903977
Energy: 2.169452302947415
Energy: 2.938973701445021
Energy: 2.181409490328042
Energy: 2.181408830527979
Energy: 2.4127827076927315
Energy: 2.4747361009338644
Energy: 2.6176069153524217
Energy: 2.169313745345131
Energy: 2.1682254929485865
Energy: 2.169887146027285
Energy: 2.4098888651815167
Energy: 2.475379039019578
Energy: 2.1802072481919086
Energy: 2.169877698941173
Energy: 2.167949349214117
Energy: 2.617875507775267
Energy: 2.4070518499965554
Energy: 2.169089805216991
Energy: 2.1810970647359245
Energy: 2.534644045330052

minimum gb energy = 2.164551207036898 eV
minimum distance =  2.42545437477431 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.7234166378247773
Energy: 2.3308605926303025
Energy: 2.330723039994961
Energy: 2.3303241312034486
Energy: 2.3304796137427157
Energy: 2.239019909946412
Energy: 2.1507384629990502
Energy: 2.4348412311003935
Energy: 2.140533193955326
Energy: 2.14072758196146
Energy: 2.4284213934705683
Energy: 2.2316930738244816
Energy: 2.207169663387997
Energy: 2.1534955183720026
Energy: 2.5615055036433034
Energy: 2.720156505739158
Energy: 2.4348565922474883
Energy: 2.1535136093777836
Energy: 2.208378912792319
Energy: 2.153721687617889
Energy: 2.495544302539353
Energy: 2.1404012924998743
Energy: 2.4795562941352096
Energy: 2.207070715176367
Energy: 2.1270528849126915
Energy: 2.495512850236014
Energy: 2.2357502720342293
Energy: 2.2088556611581227
Energy: 2.2351844865575274
Energy: 2.4806703823519958
Energy: 2.2077664274640534
Energy: 2.408081962691578
Energy: 2.2362996080887956
Energy: 2.165542684727648
Energy: 2.383882541574557
Energy: 2.153758470385789
Energy: 2.1586346107624137
Energy: 2.326180494123449
Energy: 2.3335938220094237
Energy: 2.333646255342299
Energy: 2.3322344341020855
Energy: 2.3263743913360555
Energy: 2.1592561541760946
Energy: 2.326160696690615
Energy: 2.1314870153550554
Energy: 2.1338006524777215
Energy: 2.4044407116458157
Energy: 2.352516421954869
Energy: 2.1869642060352317
Energy: 2.2559354351113625
Energy: 2.5065134013713157
Energy: 2.131764098668072
Energy: 2.2559335262486893
Energy: 2.2583601893068797
Energy: 2.1810222841959632
Energy: 2.257820477432266
Energy: 2.507197201798301
Energy: 2.131665626767085
Energy: 2.5063236499722663
Energy: 2.181275757519296
Energy: 2.297308357409985
Energy: 2.278794834072618
Energy: 2.182720237797491
Energy: 2.1850411039704825
Energy: 2.1827428184470166
Energy: 2.278486806674217
Energy: 2.18066005811878
Energy: 2.6086771557505175
Energy: 2.332307101102784
Energy: 2.108636731589198
Energy: 2.4918948244764887
Energy: 2.5655990839504894
Energy: 2.180036121386705
Energy: 2.1801334828706005
Energy: 2.8320017212028747
Energy: 2.1690348050937405
Energy: 2.1664322907324784
Energy: 2.169319668222094
Energy: 2.122893472436976
Energy: 2.1230966761364414
Energy: 2.577089612833816
Energy: 2.168034246436686
Energy: 2.5764073322792047
Energy: 2.1225262966796783
Energy: 2.354182851168424
Energy: 2.097684271849812
Energy: 2.1092533161113516
Energy: 2.1085344210694
Energy: 2.1096934595321124
Energy: 2.0977429412699276
Energy: 2.1227485798054055
Energy: 2.577769862008808
Energy: 2.177128689603606
Energy: 2.1080597912908403
Energy: 2.0980477137819227
Energy: 2.5776457989727275
Energy: 2.122707567917732
Energy: 2.1375739160279617
Energy: 2.561478463777905
Energy: 2.151725579605955
Energy: 2.6023029861445552
Energy: 2.1372111634778963
Energy: 2.1753821846720047
Energy: 2.175591637232684
Energy: 2.2911161271276206
Energy: 2.151636295448449
Energy: 2.509429937069781
Energy: 2.136506061242907
Energy: 2.1277968029186183
Energy: 2.3982742379344697
Energy: 2.1095578574297265
Energy: 2.1486386723075475
Energy: 2.2730183665915114
Energy: 2.3983217687711806
Energy: 2.174507807866946
Energy: 2.4303580317638076
Energy: 2.2723200366452287
Energy: 2.1337673965992416
Energy: 2.2726528507398496
Energy: 2.312213962839088
Energy: 2.1638672704394475
Energy: 2.5228999897145603
Energy: 2.353985938292339
Energy: 2.3132137629935414
Energy: 2.353023449775883
Energy: 2.192682320197887
Energy: 2.162559313978298
Energy: 2.3382467458403458
Energy: 2.1335797550405275
Energy: 2.1829562456815186
Energy: 2.353941069805908
Energy: 2.338734796205422
Energy: 2.1747179869149575
Energy: 2.246550350296762
Energy: 2.333806619863097
Energy: 2.1335807696532085
Energy: 2.2462671577105917
Energy: 2.2467071032678883
Energy: 2.1628685347674503
Energy: 2.174403042874221
Energy: 2.485075042630465
Energy: 2.1336805034708712
Energy: 2.4846906935390582
Energy: 2.173274935825205
Energy: 2.2198359911485857
Energy: 2.4680536107321136
Energy: 2.1348960495902687
Energy: 2.1338250738740134
Energy: 2.1340501774448706
Energy: 2.4841964000726993
Energy: 2.297427544024619
Energy: 2.4280947415578336
Energy: 2.1694965422069554
Energy: 2.129117258288627
Energy: 2.4062973294822836
Energy: 2.428510824375684
Energy: 2.219118392799392
Energy: 2.1623438055391824
Energy: 2.7095885199384218
Energy: 2.155696564617735
Energy: 2.4348912750915255
Energy: 2.162372039525147
Energy: 2.1532664318726886
Energy: 2.2239304140060727
Energy: 2.527995567840275
Energy: 2.16847123853207
Energy: 2.217687564934387
Energy: 2.1488995504313704
Energy: 2.4452596057501683
Energy: 2.4548856770679657
Energy: 2.286220667894072
Energy: 2.2907346041580725
Energy: 2.2857678608603043
Energy: 2.561529841424885

minimum gb energy = 2.097684271849812 eV
minimum distance =  2.43533031136527 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.5275029444523582
Energy: 2.2085717120354986
Energy: 2.2003094990639003
Energy: 2.201678737019202
Energy: 2.2005167400727883
Energy: 2.586351023046786
Energy: 2.0407091877881998
Energy: 2.3651743842578843
Energy: 2.05082283009132
Energy: 2.0502815994611385
Energy: 2.3650247803670617
Energy: 2.194639546882896
Energy: 2.04298486963177
Energy: 2.0421674899601063
Energy: 2.5881147512328155
Energy: 2.589179021193037
Energy: 2.042662164713736
Energy: 2.042951937531716
Energy: 2.0425269123498806
Energy: 2.042981563603606
Energy: 2.245184403596583
Energy: 2.049968633854069
Energy: 2.4620733331930253
Energy: 2.0432070096851045
Energy: 2.0266867434599147
Energy: 2.2510437292062613
Energy: 2.132679122362666
Energy: 2.0330609955130354
Energy: 2.1310729057594293
Energy: 2.3296333408081344
Energy: 2.0423024899020845
Energy: 2.2905734999029166
Energy: 2.1311995200741576
Energy: 2.055986482965709
Energy: 2.3335749204381924
Energy: 2.042798939611493
Energy: 2.068049447190482
Energy: 2.2302196589506966
Energy: 2.2910267549735672
Energy: 2.2905180698039587
Energy: 2.266852736817198
Energy: 2.2316113598240257
Energy: 2.068961304230485
Energy: 2.2311511433370024
Energy: 2.0294292723837772
Energy: 2.0317477644266506
Energy: 2.338919546789173
Energy: 2.053587112683607
Energy: 2.089245768425581
Energy: 2.231690854316232
Energy: 2.290607875633511
Energy: 2.0544957346933685
Energy: 2.2665653065842313
Energy: 2.2337242251388814
Energy: 2.04486353516924
Energy: 2.0679659253178815
Energy: 2.290213210402436
Energy: 2.0542881322979802
Energy: 2.289173344930425
Energy: 2.042488998849404
Energy: 2.043912051459946
Energy: 2.130555417413104
Energy: 2.131896777617205
Energy: 2.1306935174601955
Energy: 2.131048627130872
Energy: 2.4628367957724415
Energy: 2.158002915387832
Energy: 2.462297010688195
Energy: 2.050002646986109
Energy: 2.054449973272799
Energy: 2.0548048291956955
Energy: 2.0435349409809445
Energy: 2.042444779297374
Energy: 2.043822985913221
Energy: 2.040603827247239
Energy: 2.1539651381396827
Energy: 2.0542382172024594
Energy: 2.0430918835114498
Energy: 2.0409356568134487
Energy: 2.19478138528004
Energy: 2.46343714659481
Energy: 2.1536697754206666
Energy: 2.3653638646907327
Energy: 2.041285005525907
Energy: 2.0461058396851715
Energy: 2.0509649334012896
Energy: 2.0501035847269264
Energy: 2.05019268698676
Energy: 2.050201701600926
Energy: 2.831768634751533
Energy: 2.167945315855151
Energy: 2.682496366430664
Energy: 2.1934033235359225
Energy: 2.0401416200317
Energy: 2.0507192694422773
Energy: 2.0503939544877454
Energy: 2.2001867062444753
Energy: 2.0410109670515864
Energy: 2.049692008893352
Energy: 2.282522546928427
Energy: 2.051733752027194
Energy: 2.2008225818466847
Energy: 2.0507264938652185
Energy: 2.050639097109074
Energy: 2.364637346328231
Energy: 2.0237902570495763
Energy: 2.364689851950642
Energy: 2.050467205073677
Energy: 2.0507096265919196
Energy: 2.372690275299777
Energy: 2.043522186970504
Energy: 2.0430048724356995
Energy: 2.043761940760001
Energy: 2.5891188260172555
Energy: 2.283998742509154
Energy: 2.4621021101896257
Energy: 2.042875221256598
Energy: 2.042303381040392
Energy: 2.042614757159392
Energy: 2.050997350561931
Energy: 2.054733377607203
Energy: 2.132234870971642
Energy: 2.461633406414024
Energy: 2.330823333695291
Energy: 2.250234075108251
Energy: 2.0288899925129433
Energy: 2.03003240084419
Energy: 2.131833035778864
Energy: 2.248547061943266
Energy: 2.043417539432928
Energy: 2.290156588038112
Energy: 2.1321191750032016
Energy: 2.0539357803454372
Energy: 2.2925183266528655
Energy: 2.3298939464132657
Energy: 2.0695169697471267
Energy: 2.2308185466462715
Energy: 2.2899013475348164
Energy: 2.0549335290143054
Energy: 2.446786669569707
Energy: 2.230531247130349
Energy: 2.053656074616737
Energy: 2.230422455943823
Energy: 2.054472076433777
Energy: 2.054439245695688
Energy: 2.2909461123511337
Energy: 2.2318835294265016
Energy: 2.168972127325959
Energy: 2.2312640583845944
Energy: 2.0538154982613888
Energy: 2.053830972605819
Energy: 2.289322443660524
Energy: 2.0540760767686637
Energy: 2.0690230594950663
Energy: 2.171679963838058
Energy: 2.2895023738596043
Energy: 2.030942790909069
Energy: 2.1313978302513914
Energy: 2.4221538265387075
Energy: 2.1585179181562566
Energy: 2.1319818266878174
Energy: 2.1308616017067754
Energy: 2.0544010442806857
Energy: 2.0497268223544416
Energy: 2.4614378431215447
Energy: 2.043879985995623
Energy: 2.461310504509841
Energy: 2.057999716369175
Energy: 2.1539215422105684
Energy: 2.0440642894176797
Energy: 2.0534675050847726
Energy: 2.1594256833244088
Energy: 2.04117663662121
Energy: 2.4635958001848937
Energy: 2.1540023978604736
Energy: 2.374618413527267
Energy: 2.0418355427748978
Energy: 2.0405794262539967
Energy: 2.0329143000686543
Energy: 2.365882450428709
Energy: 2.050046566284471
Energy: 2.0502447633993297
Energy: 2.3735816107333454
Energy: 2.1681442231326225
Energy: 2.371886072837995
Energy: 2.049932515681155
Energy: 2.040891942729876
Energy: 2.050897096541823
Energy: 2.372407773196322
Energy: 2.047079551230424
Energy: 2.0549473752983354
Energy: 2.0412555164175576
Energy: 2.2812374422187753
Energy: 2.3763838629989493
Energy: 2.0418403083597028
Energy: 2.0413381449490746
Energy: 2.051283058072212
Energy: 2.5878075940152296

minimum gb energy = 2.0237902570495763 eV
minimum distance =  2.42875427480638 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.019566579347650003