Model name: model_name=MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0499990060925475
cohesive_energy=3.360264284479465
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.73023861235562e-19, 2.37559536053082e-19, 2.85817096269162e-19, 3.2434303561032597e-19, 3.5623916803999796e-19, 3.8321661820328993e-19, 4.06348844444982e-19, 4.2635682625037395e-19, 4.43764475378784e-19, 4.58956314222372e-19, 4.72230347635062e-19, 4.838252999353199e-19, 4.93930227965958e-19, 5.02700542860474e-19, 5.1026922527949e-19, 5.16746825410752e-19, 5.22224667322398e-19, 5.267860641993959e-19, 5.30501511813642e-19, 5.33433495053862e-19, 5.356364879256119e-19, 5.37158555727912e-19, 5.38044559406514e-19, 5.38331349024e-19, 5.38022128933638e-19, 5.37019166360754e-19, 5.35187878468092e-19, 5.3237125194552e-19, 5.28372219067056e-19, 5.2295846422077e-19, 5.15838391259274e-19, 5.066611234997219e-19, 4.949876645443979e-19, 4.8026846780784e-19, 4.618161995140619e-19, 4.38757673397534e-19, 4.099777745209919e-19, 3.7403454391383596e-19, 3.29040617501214e-19, 2.72503008440622e-19, 2.01077974096902e-19, 1.1020748216398739e-19, -6.420130055400419e-21, -1.577169861096528e-19, -3.56562807720066e-19, -6.221476174550759e-19, -9.8412097566816e-19, -1.489769523535194e-18, -2.2170920261291998e-18, -3.29929825533084e-18, -4.97140989940494e-18, -7.658308179921959e-18, -1.2124199307767219e-17, -1.9600227852039e-17]
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: 0.012646559489109057
Energy: 0.01489304879611162
Energy: 0.32898684587863986
Energy: 0.6029413169167034
Energy: 0.60387109212547
Energy: 0.26596755744930517
Energy: 0.013019812154850393
Energy: 0.013439323802445887
Energy: 0.6370633396033093
Energy: 0.29734284667985633
Energy: 0.3291706102253864
Energy: 0.3289220771383863
Energy: 0.013316187510005352
Energy: 0.06813775190012696
Energy: 0.014275340370061677
Energy: 0.6357238086557342
Energy: 0.6078406820422644
Energy: 0.5180958749239405
Energy: 0.32898726022781455
Energy: 0.06809913245726719
Energy: 0.07002805203092166
Energy: 0.014520817822338042
Energy: 0.33009686915110703
Energy: 0.5168639542742486
Energy: 0.6029496307403426
Energy: 0.6036833136928723
Energy: 0.06829413385395026
Energy: 0.01318829611917689
Energy: 0.34271851323976554
Energy: 0.6370168419577386
Energy: 0.29716151337549845
Energy: 0.3288835107173932
Energy: 0.32898172420491256
Energy: 0.016507805244490185
Energy: 0.06812728205374109
Energy: 0.012993395474719156
Energy: 0.40340285583412283
Energy: 0.608253185311984
Energy: 0.518033194987062
Energy: 0.4425826796633792
Energy: 0.06814127420006741
Energy: 0.06970474134296654

minimum gb energy = 0.012646559489109057 eV
minimum distance =  2.83681262476411 Angstroms
sigma value = 5


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

Energy: 0.7394951096595974
Energy: 0.821220011695249
Energy: 0.7617292479276815
Energy: 0.8075687879179981
Energy: 0.8017697403011006
Energy: 0.7899577248106376
Energy: 0.8207872610452696
Energy: 0.6804555080092807
Energy: 0.7360108122890555
Energy: 0.6793087875680083
Energy: 0.7964372195798936
Energy: 0.7811741213292449
Energy: 0.7237148092931905
Energy: 0.7903537427601294
Energy: 0.7698457188459243
Energy: 0.7381054771074919
Energy: 0.7690587336754071
Energy: 0.7414573059951355
Energy: 0.735478491736033
Energy: 0.7702834995923968
Energy: 0.7221630566218818
Energy: 0.6698472340742946
Energy: 0.7142914432779246
Energy: 0.7145886315405997
Energy: 0.7682413601774668
Energy: 0.7733851269378773
Energy: 0.723661669841083
Energy: 0.79824680744729
Energy: 0.7618409473798933
Energy: 0.8457112701834533
Energy: 0.7371712268891439
Energy: 0.7328873252942939
Energy: 0.765826863394119
Energy: 0.777966414113609
Energy: 0.8834811513258332
Energy: 0.6970375397798666
Energy: 0.8087601263942293
Energy: 0.7054811404530026
Energy: 0.7625720127922959
Energy: 0.7864565175281464
Energy: 0.6892691899805282
Energy: 0.8443656330580697
Energy: 0.7942668339177623
Energy: 0.7381876438071238
Energy: 0.7458376720701876
Energy: 0.7556397689857122
Energy: 0.7543323262172973
Energy: 0.7399869464803847
Energy: 0.7823826335399181
Energy: 0.7050123487811059
Energy: 0.6847866589545236
Energy: 0.7526338424197754
Energy: 0.7409023113700559
Energy: 0.7721219444894403
Energy: 0.7076364868726436
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Energy: 0.7612654311797541
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Energy: 0.7399316884325006
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Energy: 0.6734880849306105
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Energy: 0.7660909578185094
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Energy: 0.7217524512000704
Energy: 0.7365621467757998
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Energy: 0.7321868127767744
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Energy: 0.7739129840292854
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Energy: 0.6977679008295915
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Energy: 0.7940156659052625
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Energy: 0.7418849982975972
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Energy: 0.7457028038167738
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Energy: 0.7214846049234689
Energy: 0.7002160665726288
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Energy: 0.7464776501987919
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Energy: 0.7459874051862572
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Energy: 0.7825367370081366
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Energy: 0.723414775608279
Energy: 0.7112502310843172
Energy: 0.7665667258231831
Energy: 0.7798878809761628
Energy: 0.7903472251837137
Energy: 0.7054597490352241
Energy: 0.7489229315696664
Energy: 0.6827240947670378
Energy: 0.7622039728842916
Energy: 0.8114039909167046
Energy: 0.6783113089159898
Energy: 0.767238613568768
Energy: 0.7756724793718756
Energy: 0.8093896515091593
Energy: 0.7530426986814508
Energy: 0.7464226094990658
Energy: 0.7367426630129568
Energy: 0.7552065445767248
Energy: 0.7678417721924083
Energy: 0.6696920556030495
Energy: 0.7249234087030414
Energy: 0.7007847954083631
Energy: 0.7650735026365605
Energy: 0.7990721514502072
Energy: 0.6995368798561928
Energy: 0.8036341850702728
Energy: 0.7411958858899051
Energy: 0.7326279072681285
Energy: 0.7481534662619903
Energy: 0.7165048908677564
Energy: 0.7495492986547475
Energy: 0.7713183152191465
Energy: 0.6941395703245629
Energy: 0.6742300192993625
Energy: 0.724475926947795
Energy: 0.7183627231280116
Energy: 0.8187120254415248
Energy: 0.7430738532081479
Energy: 0.72206800756296
Energy: 0.7591267060881625
Energy: 0.73187706806911
Energy: 0.802383590903971
Energy: 0.7707560001210645
Energy: 0.7482007463407493
Energy: 0.8050597463714674
Energy: 0.7188274806075964
Energy: 0.8071301476519714

minimum gb energy = 0.6681656506834066 eV
minimum distance =  2.54970901894293 Angstroms
sigma value = 401


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

Energy: 0.758601801805195
Energy: 0.765977751825279
Energy: 0.7597388182680463
Energy: 0.8190585864338384
Energy: 0.8686488100144236
Energy: 0.7724861639975427
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Energy: 0.7827146710900015
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Energy: 0.68707587042976
Energy: 0.7824813232979816
Energy: 0.7700492507848997
Energy: 0.7481009667693426
Energy: 0.6807892747605376
Energy: 0.7316005198973922
Energy: 0.734586364046843
Energy: 0.7710782940985506
Energy: 0.7744352667931645
Energy: 0.7878896227466936
Energy: 0.745282087609291
Energy: 0.7638170066170801
Energy: 0.7782978252277787
Energy: 0.6917111048680152
Energy: 0.6963178341249188
Energy: 0.6690726526605756
Energy: 0.786403340546233
Energy: 0.7883562565369543
Energy: 0.7357282255492742
Energy: 0.7112224654917858
Energy: 0.6902636508101984
Energy: 0.7547534603098096
Energy: 0.7075019574124372
Energy: 0.7194001957887374
Energy: 0.7090492257662651
Energy: 0.759892354790381
Energy: 0.6847106363127686
Energy: 0.7700862269699456
Energy: 0.7321810946737917
Energy: 0.6776792999018088
Energy: 0.6952967064651051
Energy: 0.7338176143511328
Energy: 0.7858687782489752
Energy: 0.8504994639663175
Energy: 0.7813003855179103
Energy: 0.7651336284521564
Energy: 0.6946666801924692
Energy: 0.7118433390616162
Energy: 0.6766969621010813
Energy: 0.6900631771973924
Energy: 0.6937654359239427
Energy: 0.7256447922001883
Energy: 0.7544159458122961
Energy: 0.6877507179983922
Energy: 0.7152129116842151
Energy: 0.7308635808196678
Energy: 0.79145626780838
Energy: 0.7967550037981845
Energy: 0.7774483976901643
Energy: 0.7939709842682441
Energy: 0.7305319260058963
Energy: 0.671250939646366
Energy: 0.7237424208334697
Energy: 0.7251681057326212
Energy: 0.7340726276962405
Energy: 0.7976496882079591
Energy: 0.7361787479799424
Energy: 0.6845802382503894
Energy: 0.7753556880777166
Energy: 0.7240381838741993
Energy: 0.760526384308837
Energy: 0.7189480364108642
Energy: 0.6952828642195552
Energy: 0.7573577748837826
Energy: 0.6967297024855633
Energy: 0.6703755761307663
Energy: 0.7306778653217756
Energy: 0.6963223431730327
Energy: 0.7429936794352823
Energy: 0.6879042302117708
Energy: 0.6888204912565378
Energy: 0.779201372933631
Energy: 0.764074304643522
Energy: 0.7888235932290659
Energy: 0.7750018787003365
Energy: 0.7310633103241742
Energy: 0.7361648423532543
Energy: 0.7820285725324637
Energy: 0.7957492084385487
Energy: 0.6963962030305497
Energy: 0.730977715071632
Energy: 0.7035992229578767
Energy: 0.7698957389267038
Energy: 0.6926450817588692
Energy: 0.6806545990344599
Energy: 0.7643617157697863
Energy: 0.7840929984836777
Energy: 0.7617060685095002
Energy: 0.7360521571751429
Energy: 0.735638182591101
Energy: 0.6910748709025961
Energy: 0.7542729976275084
Energy: 0.7294731055367125
Energy: 0.7226351954860167
Energy: 0.7015390528704691
Energy: 0.6924981065153142
Energy: 0.6893183421041464
Energy: 0.7758551814418909
Energy: 0.7501511937528185
Energy: 0.6789196623275953
Energy: 0.7215026279352211
Energy: 0.7309455025330497
Energy: 0.7851876069368499
Energy: 0.7315596075412747
Energy: 0.7518756128215915
Energy: 0.78220493554516
Energy: 0.7363035376082415
Energy: 0.7284809399563535
Energy: 0.6999761912228596
Energy: 0.6883457519173818
Energy: 0.6826871324618652
Energy: 0.7239607002840539
Energy: 0.7059349202613309
Energy: 0.6935578809812032

minimum gb energy = 0.6690726526605756 eV
minimum distance =  2.51641899356553 Angstroms
sigma value = 311


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

Energy: 0.7695941961614733
Energy: 0.7315180609206825
Energy: 0.7415295921980415
Energy: 0.7316143462207082
Energy: 0.7506953768243795
Energy: 0.7546390653085883
Energy: 0.7722525120203484
Energy: 0.7163137114503763
Energy: 0.7357921757266553
Energy: 0.6863996885030641
Energy: 0.7118559768591671
Energy: 0.7023022513330373
Energy: 0.6914091104496605
Energy: 0.7647727476100333
Energy: 0.7318271534156411
Energy: 0.7162789852329123
Energy: 0.7049068050069984
Energy: 0.6879385477494565
Energy: 0.6791313804863559
Energy: 0.7356676723318567
Energy: 0.7377096618068677
Energy: 0.7366665351436391
Energy: 0.721150245727735
Energy: 0.724423860044376
Energy: 0.7421259704501347
Energy: 0.7501160519713408
Energy: 0.7392329435958792
Energy: 0.7570843123284716
Energy: 0.7641271689959126
Energy: 0.7782031041807734
Energy: 0.6877539727431418
Energy: 0.7616201442076116
Energy: 0.734664739647624
Energy: 0.7352370972309583
Energy: 0.7373085366607385
Energy: 0.6846438047789509
Energy: 0.7185654750134808
Energy: 0.6914309332104844
Energy: 0.7338772290710313
Energy: 0.711995929100226
Energy: 0.6855245044257202
Energy: 0.7149470478074744
Energy: 0.7483691233263599
Energy: 0.7541691376039672
Energy: 0.7478831803244411
Energy: 0.709974459896848
Energy: 0.7199565600041655
Energy: 0.7505770073314468
Energy: 0.7305525979980388
Energy: 0.6837167429173436
Energy: 0.709071311981051
Energy: 0.7358854770683235
Energy: 0.787813988619232
Energy: 0.6807469332865497
Energy: 0.6806785736738657
Energy: 0.7387056580288477
Energy: 0.7260796596845587
Energy: 0.7291628205850132
Energy: 0.71912738099178
Energy: 0.7046840837658046
Energy: 0.7351816058427408
Energy: 0.6861244526256991
Energy: 0.72985125718676
Energy: 0.7389562185814829
Energy: 0.7480479833980663
Energy: 0.7207051129679317
Energy: 0.7354117222707298
Energy: 0.7643571565958978
Energy: 0.7578007419072045
Energy: 0.7306365801036417
Energy: 0.7639036101096706
Energy: 0.7576298807779265
Energy: 0.7335876600328526
Energy: 0.7588422787666637
Energy: 0.7244375116085279
Energy: 0.7600378189374049
Energy: 0.7520041801549756
Energy: 0.6870797698090916
Energy: 0.7423540339406253
Energy: 0.6774129971619348
Energy: 0.7252617589062442
Energy: 0.7118984024245747
Energy: 0.6797467244335501
Energy: 0.7528247181629117
Energy: 0.7478130774438203
Energy: 0.7601748841234872
Energy: 0.7462429913120707
Energy: 0.7538958312213022
Energy: 0.6955874676206513
Energy: 0.75274943928962
Energy: 0.7374721101151273
Energy: 0.6828283354360138
Energy: 0.7511291473307737
Energy: 0.7299935336110155
Energy: 0.7086397983586554
Energy: 0.7295426826624882
Energy: 0.6809429767483128
Energy: 0.7078649358673894
Energy: 0.7100072318034137
Energy: 0.732788206010861
Energy: 0.743049178517524
Energy: 0.7205327688671315
Energy: 0.729714682498701
Energy: 0.7221462906294392
Energy: 0.7130108587082525
Energy: 0.720551988796222
Energy: 0.7748405095238341
Energy: 0.7480595049944907
Energy: 0.7039636857786503
Energy: 0.7489618766717381
Energy: 0.6910122353231587
Energy: 0.7386990193141937
Energy: 0.739674186503659
Energy: 0.7621939236926336
Energy: 0.7540062134976715
Energy: 0.7613815991497215
Energy: 0.7653421006345199
Energy: 0.7936706878884185
Energy: 0.727120412960647
Energy: 0.6830131374697864
Energy: 0.7352063612171956
Energy: 0.7238748600353866
Energy: 0.717162478277471
Energy: 0.714258670037096
Energy: 0.71627539746961
Energy: 0.7338115390914837
Energy: 0.7432964836141426
Energy: 0.7280757978189283
Energy: 0.7493037941148996
Energy: 0.6842009521318483
Energy: 0.6794155033570215
Energy: 0.747324852393977
Energy: 0.7336779173453165
Energy: 0.6930189571000572
Energy: 0.7713294256443135
Energy: 0.7508954019070829
Energy: 0.7083351057725611
Energy: 0.7361570420613328
Energy: 0.7813551423166968
Energy: 0.734313468834927
Energy: 0.7390980230848804
Energy: 0.7125025896554351
Energy: 0.722863591193378
Energy: 0.6861514263111221
Energy: 0.733531339329109
Energy: 0.7396259858996693
Energy: 0.7404878792872452
Energy: 0.6936714256158268
Energy: 0.7351079961302466
Energy: 0.7543132368002063
Energy: 0.741456077229445
Energy: 0.7216565644397894
Energy: 0.7266800988356088
Energy: 0.7357062233003948
Energy: 0.7707002636722062
Energy: 0.7963257007128693
Energy: 0.7855509985005431
Energy: 0.7637124964398673
Energy: 0.7754167196135021
Energy: 0.7441111061182462
Energy: 0.719659694240073
Energy: 0.718595730886452
Energy: 0.7791624045629914
Energy: 0.7279566963297006
Energy: 0.7262100565331036
Energy: 0.7476573890733708
Energy: 0.7205838256758735
Energy: 0.7433046410940545
Energy: 0.7380781096081748
Energy: 0.7414260183249874
Energy: 0.7453865857223707
Energy: 0.7129097181482
Energy: 0.7427397569458513
Energy: 0.7724331212239487
Energy: 0.7361771541251954
Energy: 0.7384678890986408
Energy: 0.7534375739394719
Energy: 0.7044403918001144
Energy: 0.7991556328249387
Energy: 0.733437648403296
Energy: 0.6992878907278682
Energy: 0.7263752196460146
Energy: 0.7261100775809957
Energy: 0.7279783313372733
Energy: 0.7222951863054432
Energy: 0.698037798139999
Energy: 0.6865636925466603
Energy: 0.738496282576736
Energy: 0.7294468727483142
Energy: 0.7031835587658049
Energy: 0.7347734074094611
Energy: 0.7339429935148831
Energy: 0.724112534599681
Energy: 0.7443516164709603
Energy: 0.7186196774929352
Energy: 0.7444313980875549
Energy: 0.775627669756282
Energy: 0.778247725638341
Energy: 0.7646307267161601
Energy: 0.7592286661766052
Energy: 0.7564776485732553
Energy: 0.7613980047136104
Energy: 0.7443824548752318
Energy: 0.7528092877302468
Energy: 0.7612731928125336
Energy: 0.7498072662892051
Energy: 0.7708355944221408
Energy: 0.7243018397675178
Energy: 0.7545359904069039
Energy: 0.735879164845468
Energy: 0.7444476020066538
Energy: 0.7267002958943919
Energy: 0.6849114721595555
Energy: 0.709823542758028
Energy: 0.711545263572634
Energy: 0.7069128324485263
Energy: 0.7167958966499902
Energy: 0.7119333177122704
Energy: 0.7073192361101318
Energy: 0.7326469849280176
Energy: 0.7603876537497779
Energy: 0.7365830952539218
Energy: 0.7017683009944844
Energy: 0.7023234715675667
Energy: 0.7258334536599025
Energy: 0.7140673499332982
Energy: 0.7267443131454796
Energy: 0.7562490336607347
Energy: 0.6814166683902579
Energy: 0.733546623148727
Energy: 0.7200453202153423
Energy: 0.7025580879436506
Energy: 0.7168093792342357
Energy: 0.7526137892787349
Energy: 0.7248826364183619
Energy: 0.7360853570624357
Energy: 0.7057893772466322
Energy: 0.7168267017134073
Energy: 0.7824663945425046
Energy: 0.7642089848178656
Energy: 0.7517468494206982
Energy: 0.7542674675960335
Energy: 0.7979524330587706
Energy: 0.7869377871905727
Energy: 0.7514986357008893
Energy: 0.7738818098557487
Energy: 0.7545221667357935
Energy: 0.7432758472860858
Energy: 0.7384666687970249
Energy: 0.7549595251234128
Energy: 0.759570924473429
Energy: 0.7645720766480922

minimum gb energy = 0.6774129971619348 eV
minimum distance =  2.5526119638825 Angstroms
sigma value = 39


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

Energy: 0.6662742252108873
Energy: 0.6645227348865826
Energy: 0.7953816694044022
Energy: 0.8119137878600808
Energy: 0.7020252201962001
Energy: 0.7265847596086622
Energy: 0.663899709663687
Energy: 0.6634705035979975
Energy: 0.7178148074518225
Energy: 0.731471377273536
Energy: 0.6784083275264661
Energy: 0.680746710428385
Energy: 0.7075529045200153
Energy: 0.717609957539624
Energy: 0.7078209089473377
Energy: 0.6723266144833903
Energy: 0.7221509009640891
Energy: 0.6769724019381972
Energy: 0.6819450274303116
Energy: 0.7003561604368616
Energy: 0.7187529637543476
Energy: 0.6862463895551888
Energy: 0.6883329506584657
Energy: 0.7145804538543228
Energy: 0.7218814992500402
Energy: 0.6858633325840306
Energy: 0.7310547384261753
Energy: 0.71569911377871
Energy: 0.6992768195874628
Energy: 0.671811842864664
Energy: 0.708739689944698
Energy: 0.7077354682924942
Energy: 0.7501659879010133
Energy: 0.7277504494526649
Energy: 0.6993829948862244
Energy: 0.6631105343054802
Energy: 0.6743327209725922
Energy: 0.7328178768295396
Energy: 0.7982842382469949
Energy: 0.7223279430298748
Energy: 0.7016208849640603
Energy: 0.7178418487788619
Energy: 0.8072329890457731
Energy: 0.7980681636780933
Energy: 0.7767210620015866
Energy: 0.7483247184716023
Energy: 0.6636251316514886
Energy: 0.6657254062141816
Energy: 0.7186355687380451
Energy: 0.6648659783053938
Energy: 0.719320761973451
Energy: 0.7870147274052152
Energy: 0.7722187762686593
Energy: 0.7370323174626106
Energy: 0.7204529875150398
Energy: 0.7184225474002363
Energy: 0.6653738866989527
Energy: 0.7192149475545285
Energy: 0.776841756882603
Energy: 0.6978733342658274
Energy: 0.7514469745835298
Energy: 0.7270154294418275
Energy: 0.7180201653750016
Energy: 0.8074759349034603
Energy: 0.6713263917038134
Energy: 0.7185931796702578
Energy: 0.6769307399275457
Energy: 0.6841415037951083
Energy: 0.6953756122711036
Energy: 0.7153847153013796
Energy: 0.6855937387097122
Energy: 0.6721985725559698
Energy: 0.7135425591476755
Energy: 0.7224776281409062
Energy: 0.6802670941782832
Energy: 0.6991060745740415
Energy: 0.714823758751195
Energy: 0.6995435944724689
Energy: 0.6733332622396887
Energy: 0.7002150839060833
Energy: 0.6716768210825355
Energy: 0.6860679569557282
Energy: 0.7320194448672265
Energy: 0.7180656438453548
Energy: 0.6640248587049683
Energy: 0.67221168806918
Energy: 0.7222533866447728
Energy: 0.7325203575226482
Energy: 0.7210764602713172
Energy: 0.7209394368855231
Energy: 0.7033614017278494
Energy: 0.8072398791556269
Energy: 0.6728503849199036
Energy: 0.7768269983041218
Energy: 0.7483832172670334
Energy: 0.6643758533679348
Energy: 0.6631951137609428
Energy: 0.7182112004451022
Energy: 0.6631690595153416
Energy: 0.7210753172919332
Energy: 0.7899442355281799
Energy: 0.7476422263489083
Energy: 0.6643038101129879
Energy: 0.6629287828469966
Energy: 0.7173655701742087
Energy: 0.6657154083774361
Energy: 0.7389224779094874
Energy: 0.776665872805294
Energy: 0.6897804569007631
Energy: 0.7018792330675816
Energy: 0.7179145918070102
Energy: 0.6644194159031703
Energy: 0.6943758588912338
Energy: 0.71794720137968
Energy: 0.7311172580050415
Energy: 0.6781952577755841
Energy: 0.6807610288509738
Energy: 0.7073569853003292
Energy: 0.7177863398347504
Energy: 0.7084152306889596
Energy: 0.672352941237904
Energy: 0.722199839538592
Energy: 0.676973572673314
Energy: 0.682159350207527
Energy: 0.7003694051723451
Energy: 0.7199501092422634
Energy: 0.686227503925918
Energy: 0.6716473752367107
Energy: 0.7147425635324486
Energy: 0.7215093633765427
Energy: 0.686078264342055
Energy: 0.7313753985426944
Energy: 0.7161622764387251
Energy: 0.6994780086390003
Energy: 0.6717848330581134
Energy: 0.7092637511214402
Energy: 0.7082618386691487
Energy: 0.7509950380144269
Energy: 0.7272632027666549
Energy: 0.6991260730174238
Energy: 0.6631146415593178
Energy: 0.671559474705421
Energy: 0.732873057182982
Energy: 0.767725474339389
Energy: 0.7226798358840559
Energy: 0.66301398455133
Energy: 0.7179236025570058
Energy: 0.8070895291813115
Energy: 0.6744695389867721
Energy: 0.7769441069907053
Energy: 0.7483397156212566
Energy: 0.663570220000804
Energy: 0.6658950035627588
Energy: 0.718359887412471
Energy: 0.6644729993642382
Energy: 0.7194598461386521
Energy: 0.7879020868941067
Energy: 0.7694287878758111
Energy: 0.7371064960128145
Energy: 0.7204882896236456
Energy: 0.7001979126584996
Energy: 0.6635685032343204
Energy: 0.7192707199510274
Energy: 0.7767899455889287
Energy: 0.6975453782135245
Energy: 0.7544136795289612
Energy: 0.7295022529457955
Energy: 0.7184218100404071
Energy: 0.8078491282919759
Energy: 0.6726203619676906
Energy: 0.718270985287158
Energy: 0.6766705555953255
Energy: 0.6849333658961432
Energy: 0.695323134725207
Energy: 0.715661096589258
Energy: 0.6862952508729775
Energy: 0.671994060531371
Energy: 0.7133733808297934
Energy: 0.722221173395207
Energy: 0.6802750617089839
Energy: 0.7175022302946816
Energy: 0.7184479856391177
Energy: 0.701573908477661
Energy: 0.6732738749606682
Energy: 0.70023772151466
Energy: 0.6716703781718258
Energy: 0.6837059611460367
Energy: 0.7323594330534994
Energy: 0.7179599299671285
Energy: 0.6644164796885292
Energy: 0.6719187055961916
Energy: 0.72219219042558
Energy: 0.7320122084018392
Energy: 0.7209621099021006
Energy: 0.720310967014258
Energy: 0.7036893203272471
Energy: 0.8070904136100818
Energy: 0.6951668699974312
Energy: 0.7767986833967675
Energy: 0.7482943565005409
Energy: 0.6643710503060986
Energy: 0.6634844718555402
Energy: 0.718263132085849
Energy: 0.6632485124379285
Energy: 0.721016576067975
Energy: 0.7914006995811935
Energy: 0.7672501822291248
Energy: 0.6644795387939986
Energy: 0.662855318464244
Energy: 0.7173136435076828

minimum gb energy = 0.662855318464244 eV
minimum distance =  2.5570191684847 Angstroms
sigma value = 21


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

Energy: 0.8363191288582177
Energy: 0.7449100367130417
Energy: 0.800758604307386
Energy: 0.7550964710293298
Energy: 0.7009148847283437
Energy: 0.7830149564299953
Energy: 0.7457329552391496
Energy: 0.7624525488997386
Energy: 0.7323718044147837
Energy: 0.8118839450742737
Energy: 0.7976441375787579
Energy: 0.7956248235544083
Energy: 0.7932403957469133
Energy: 0.7734812816218322
Energy: 0.7855054857257762
Energy: 0.6830172534056712
Energy: 0.6976186624087758
Energy: 0.8094010046581007
Energy: 0.7892617758856119
Energy: 0.6917815171729171
Energy: 0.7815963692201197
Energy: 0.6917265471087818
Energy: 0.8359860150984103
Energy: 0.7301186343691839
Energy: 0.714026351647453
Energy: 0.7013270656625011
Energy: 0.717105983778701
Energy: 0.7449162753772413
Energy: 0.6919544618757246
Energy: 0.7127312158426486
Energy: 0.6738406969207326
Energy: 0.694528033734754
Energy: 0.7079213794438377
Energy: 0.6882717218057325
Energy: 0.7363181913551349
Energy: 0.6700702297330606
Energy: 0.6950480746414182
Energy: 0.7225882465135969
Energy: 0.7277323250335354
Energy: 0.7364589125187466
Energy: 0.7128081190776874
Energy: 0.6781907650841149
Energy: 0.8199218945405783
Energy: 0.6902966237215115
Energy: 0.7172548073778952
Energy: 0.6826713242210749
Energy: 0.6840860678260007
Energy: 0.6805672713705083
Energy: 0.6761164597181453
Energy: 0.7975616446366952
Energy: 0.661601973390684
Energy: 0.6975291274481326
Energy: 0.7374002099563376
Energy: 0.6825820484698446
Energy: 0.6741106627633879
Energy: 0.7228720437753723
Energy: 0.7161416664636407
Energy: 0.7000083530155592
Energy: 0.7761562145650502
Energy: 0.8097841883988691
Energy: 0.8481724910039545
Energy: 0.8422742434064037
Energy: 0.7946724441628408
Energy: 0.8155524460678487
Energy: 0.7518385792295122
Energy: 0.7292854017052272
Energy: 0.7492696754659329
Energy: 0.6903291528937665
Energy: 0.7968199606922319
Energy: 0.6920364637254882
Energy: 0.7888205915087899
Energy: 0.7347571556572687
Energy: 0.7122190345059587
Energy: 0.6959862867021674
Energy: 0.7117184758593059
Energy: 0.7099734501836699
Energy: 0.7945742121385766
Energy: 0.8084069882712915
Energy: 0.6992575764335138
Energy: 0.7635912569087892
Energy: 0.822689065122976
Energy: 0.7826595576303726
Energy: 0.6686851197737009
Energy: 0.7955291013041775
Energy: 0.8036715191349272
Energy: 0.7241330672883277
Energy: 0.827998661851807
Energy: 0.7469449771495296
Energy: 0.702523354862162
Energy: 0.7202740839694693
Energy: 0.7698403443706788
Energy: 0.6697847469695262
Energy: 0.6964649903946779
Energy: 0.7016949437204412
Energy: 0.6956542189981859
Energy: 0.7353369312166858
Energy: 0.7546024488835478
Energy: 0.8111161971570374
Energy: 0.7953685656237588
Energy: 0.6955035457858274
Energy: 0.704068703869432
Energy: 0.80225766794847
Energy: 0.8064636363624835
Energy: 0.7842985098038154
Energy: 0.7818351688552997
Energy: 0.7943121346158513
Energy: 0.6826883398074098
Energy: 0.7282135509374943
Energy: 0.6979095975034507
Energy: 0.6950450597459179
Energy: 0.7563755052309967
Energy: 0.8382016373615954
Energy: 0.6918365025346799
Energy: 0.7482977549840368
Energy: 0.7210900978908426
Energy: 0.6935858685009559
Energy: 0.6747715585886753
Energy: 0.72972696288755
Energy: 0.6976409067963529
Energy: 0.6686391844989816
Energy: 0.6980929690950665
Energy: 0.6835227260552306
Energy: 0.9118233041641801
Energy: 0.8165168523811609
Energy: 0.7159084130064766
Energy: 0.784319381530302
Energy: 0.6688068699927949
Energy: 0.6694804542225526
Energy: 0.7391476990712862
Energy: 0.702703675684209
Energy: 0.7194254719868554
Energy: 0.6699374835666906
Energy: 0.6774750081966229
Energy: 0.7972373978100511
Energy: 0.6620647772361534
Energy: 0.7254028852139387
Energy: 0.6898336002196256
Energy: 0.7449212172437004
Energy: 0.6948897980436445
Energy: 0.6947738129084741
Energy: 0.7175412361791303
Energy: 0.6831492486280283
Energy: 0.810046692514864
Energy: 0.7919271240660422
Energy: 0.7975190341719092
Energy: 0.6935888713831991
Energy: 0.8006629695906252
Energy: 0.7949407331943915
Energy: 0.791119738229131
Energy: 0.7287696234528797
Energy: 0.7489636282080044
Energy: 0.6778890151276935
Energy: 0.7534184015374003
Energy: 0.7445111689986312
Energy: 0.7629911830758234
Energy: 0.7966298105943724
Energy: 0.7869742496267671
Energy: 0.7729974286348088
Energy: 0.717521905451744
Energy: 0.7946078686727356
Energy: 0.7958837727161516
Energy: 0.782051040103417
Energy: 0.695771120746309
Energy: 0.7375590903247733
Energy: 0.8305155361190731
Energy: 0.7769788386102678
Energy: 0.7785570178062665
Energy: 0.7945942770695538
Energy: 0.6695676474577228
Energy: 0.8010508490447333
Energy: 0.8923644935414685
Energy: 0.6952286128355935
Energy: 0.7172712678466497
Energy: 0.7091526100399371
Energy: 0.7667947755196886

minimum gb energy = 0.661601973390684 eV
minimum distance =  2.51139500229947 Angstroms
sigma value = 113


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

Energy: 0.800177825270922
Energy: 0.834154945800055
Energy: 0.8481447110978614
Energy: 0.8810984378167567
Energy: 0.8359740297563475
Energy: 0.8342424692149834
Energy: 0.8860622565294524
Energy: 0.8837928328993376
Energy: 0.8716577874673833
Energy: 0.8104233430666586
Energy: 0.8736350082760557
Energy: 0.8163035909026641
Energy: 0.8529044357442126
Energy: 0.8507031582605545
Energy: 0.8821018668348541
Energy: 0.8146845039444638
Energy: 0.8099928981407337
Energy: 0.8271834371415442
Energy: 0.8501188050016738
Energy: 0.8266907014231057
Energy: 0.8561684272608527
Energy: 0.7931102382750026
Energy: 0.9032554102233337
Energy: 0.8210755093099887
Energy: 0.8537411750669772
Energy: 0.8419735003457135
Energy: 0.8081567400446392
Energy: 0.8499526565175076
Energy: 0.7779308507122461
Energy: 0.8331297654052927
Energy: 0.8155447908613808
Energy: 0.8696784074230375
Energy: 0.8190087101844938
Energy: 0.8138222904780115
Energy: 0.8191531110015888
Energy: 0.7598512627703625
Energy: 0.8127797790296241
Energy: 0.8210773055581246
Energy: 0.7783327879559429
Energy: 0.7611754099569218
Energy: 0.759065645993653
Energy: 0.8091728691444033
Energy: 0.8177166614567914
Energy: 0.8358844705971137
Energy: 0.8353096565932353
Energy: 0.8071093247506967
Energy: 0.8209696962986811
Energy: 0.8787810550637113
Energy: 0.8567699049422339
Energy: 0.8424929568739946
Energy: 0.7362239341329126
Energy: 0.823485868690404
Energy: 0.8263433487976041
Energy: 0.8129255806034563
Energy: 0.7815583948649962
Energy: 0.749764512500328
Energy: 0.7329190234910397
Energy: 0.8029990602289689
Energy: 0.8254525231948734
Energy: 0.8233820385090904
Energy: 0.7892960597622447
Energy: 0.8139562334221159
Energy: 0.8631031478354073
Energy: 0.7861919121900285
Energy: 0.7757451309320476
Energy: 0.8040766861021876
Energy: 0.7447523646509236
Energy: 0.7527918599102532
Energy: 0.8011375316701129
Energy: 0.7884604472236502
Energy: 0.798002748186087
Energy: 0.7602821280581004
Energy: 0.8102007538756814
Energy: 0.7606287460120518
Energy: 0.7824300007998464
Energy: 0.7874689896584267
Energy: 0.7779609695053965
Energy: 0.7323446339007132
Energy: 0.8766229028173422
Energy: 0.8265349843361999
Energy: 0.8133637637325596
Energy: 0.8093334288013982
Energy: 0.8248190556949054
Energy: 0.8105163327470524
Energy: 0.8175071989156479
Energy: 0.7318165900420759
Energy: 0.7853562547390904
Energy: 0.8161649793344925
Energy: 0.8161593234956717
Energy: 0.7822918789593836
Energy: 0.7421349574333808
Energy: 0.7966410233820165
Energy: 0.7834516533978119
Energy: 0.8580956657010912
Energy: 0.753905863486389
Energy: 0.7645417428782123
Energy: 0.8050445412081894
Energy: 0.7823849533822025
Energy: 0.7234582453497894
Energy: 0.7991995933670649
Energy: 0.8243306888129378
Energy: 0.7462546713787834
Energy: 0.7837600840679985
Energy: 0.7840829846533678
Energy: 0.7989008488991559
Energy: 0.7887052071560171
Energy: 0.7912750072156797
Energy: 0.8158640792534347
Energy: 0.7971893301622762
Energy: 0.828866035972224
Energy: 0.8232703679613625
Energy: 0.7920562188988602
Energy: 0.7947742355058429
Energy: 0.8902845303072632
Energy: 0.8040543554270891
Energy: 0.8368360566909998
Energy: 0.8275286995826596
Energy: 0.8262614599356221
Energy: 0.8152894888466445
Energy: 0.790095449194943
Energy: 0.821653013104234
Energy: 0.7946235659815861
Energy: 0.7978868071399497
Energy: 0.7873051815644136
Energy: 0.8297526409780452
Energy: 0.8404690833949748
Energy: 0.8604532092168496
Energy: 0.8544591702061468
Energy: 0.8128492397649728
Energy: 0.9072289981869546
Energy: 0.8476824132555827
Energy: 0.8251380616727156
Energy: 0.8518014341572661
Energy: 0.7801717006018283
Energy: 0.8241321313152323
Energy: 0.8235581788073576
Energy: 0.8573744957156076
Energy: 0.8454947093813835
Energy: 0.8383160880892643
Energy: 0.8433288718546452
Energy: 0.869623740816855
Energy: 0.8203513820640058
Energy: 0.8034750079518751
Energy: 0.8335427864456666
Energy: 0.8405177452213816
Energy: 0.7922285350262009
Energy: 0.8025987086871146
Energy: 0.8628361135763379
Energy: 0.8226219298041884
Energy: 0.8065505207613578
Energy: 0.869839287000713
Energy: 0.8459070970090893
Energy: 0.7903981656106914
Energy: 0.842628141968009
Energy: 0.7768052395956999
Energy: 0.8326451274763162
Energy: 0.8487334050867195
Energy: 0.8529808672763527
Energy: 0.8518259531551813
Energy: 0.8436711712274729
Energy: 0.8342653454373193
Energy: 0.8715062642807575
Energy: 0.8612326516493406
Energy: 0.8050034807647815
Energy: 0.8935201476835185
Energy: 0.8548809409297043
Energy: 0.8181007505573661
Energy: 0.8432825595671594
Energy: 0.8084203302354852
Energy: 0.8205960612037118
Energy: 0.8114767533701011
Energy: 0.8273154079223904
Energy: 0.8252293088557483
Energy: 0.8393308323580269
Energy: 0.8212258633264419
Energy: 0.7813309904943233
Energy: 0.8665708573906465
Energy: 0.8063993674514291
Energy: 0.8334752263584051
Energy: 0.8430117271294878
Energy: 0.8100798476710481
Energy: 0.9009535286605015
Energy: 0.7756577010569259
Energy: 0.8286477271919354
Energy: 0.808560989451957
Energy: 0.7730730715463664
Energy: 0.8352492211994746
Energy: 0.8196034473106099
Energy: 0.8290930290065625
Energy: 0.7593520937741194
Energy: 0.8203360765201827
Energy: 0.8073088370108861
Energy: 0.7954270479196696
Energy: 0.744764829827661
Energy: 0.7717573259911588
Energy: 0.8094816372261082
Energy: 0.8203875011129783
Energy: 0.8362544481810321
Energy: 0.7928477000149629
Energy: 0.8120106731246871
Energy: 0.8221296181232112
Energy: 0.8797542998148524
Energy: 0.8428727987464595
Energy: 0.7935695383443596
Energy: 0.7333261264774663
Energy: 0.7882980226291132
Energy: 0.8258433583918158
Energy: 0.8295895892702534
Energy: 0.7573056476699783
Energy: 0.7386574836875602
Energy: 0.7248809873673333
Energy: 0.808015641512994
Energy: 0.8327186110588816
Energy: 0.8452730258340808
Energy: 0.8238945549479452
Energy: 0.8104537139754698
Energy: 0.8637491316072671
Energy: 0.781789898810434
Energy: 0.7766750634594383
Energy: 0.8177580420335138
Energy: 0.7379877369398965
Energy: 0.7650774951546632
Energy: 0.8074035779946128
Energy: 0.7897559477970689
Energy: 0.7992035970671871
Energy: 0.7708598513902166
Energy: 0.7988436695513411
Energy: 0.8037541900954096
Energy: 0.7547587256084364
Energy: 0.7935538446226355
Energy: 0.7605896836806223
Energy: 0.7168087577537416
Energy: 0.7858697254086362
Energy: 0.8235153899246416
Energy: 0.8142296311098277
Energy: 0.8116527750899071
Energy: 0.8222751812235952
Energy: 0.8137997452759286
Energy: 0.7745710682842121
Energy: 0.7297922939080145
Energy: 0.7999639988898007
Energy: 0.8047961169751724
Energy: 0.8163795177851348
Energy: 0.7824005158080859
Energy: 0.7311763859478445
Energy: 0.8129835553459701
Energy: 0.7838589733015043
Energy: 0.7921845525937333
Energy: 0.8319792327829443
Energy: 0.8096793873272777
Energy: 0.8665285004093498
Energy: 0.8306510126670765
Energy: 0.7276673812197522
Energy: 0.7948067825028932
Energy: 0.817350713725062
Energy: 0.756844538067789
Energy: 0.7416792292863879
Energy: 0.7836410200599859
Energy: 0.8022722441287827
Energy: 0.7873232041718835
Energy: 0.7926759012207727
Energy: 0.7808268768850724
Energy: 0.7970793965068633
Energy: 0.7904741981395667
Energy: 0.8081685674875436
Energy: 0.788556451060474
Energy: 0.7787977522830897
Energy: 0.7964488203550871
Energy: 0.7939592960576016
Energy: 0.8361920125851783
Energy: 0.8229515899424376
Energy: 0.7962302285091875
Energy: 0.7956241202584539
Energy: 0.7642122944833477
Energy: 0.7942208302073684
Energy: 0.8062515496523436
Energy: 0.7987723983981236
Energy: 0.839732716596211
Energy: 0.8195871604862686
Energy: 0.8320422684765895
Energy: 0.8578001182764582
Energy: 0.8760748083130957
Energy: 0.8306547548905546
Energy: 0.8994919034802826
Energy: 0.843367813954468
Energy: 0.83188738903818
Energy: 0.8366013623786723
Energy: 0.7938195893240375
Energy: 0.8308978783513995
Energy: 0.8218870704932342
Energy: 0.8773504453264158
Energy: 0.8451321081378019
Energy: 0.8428539514661536
Energy: 0.8593050488125829
Energy: 0.8755873512136105
Energy: 0.8144136116417006
Energy: 0.7985911870128528
Energy: 0.8696182265190125
Energy: 0.8348313393762696
Energy: 0.8023589013065692
Energy: 0.8705503524174901
Energy: 0.8618546498820349
Energy: 0.8108665358526187
Energy: 0.8053045819821586
Energy: 0.8692441405409834
Energy: 0.8201122931893366
Energy: 0.7976461893655205
Energy: 0.8385605585355465
Energy: 0.7983524756388074
Energy: 0.8212012162174989
Energy: 0.8387908613155717
Energy: 0.8644990613097933
Energy: 0.8361620954843335
Energy: 0.8399921818081342
Energy: 0.8620906208089678

minimum gb energy = 0.7168087577537416 eV
minimum distance =  2.47894642729864 Angstroms
sigma value = 365


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

Energy: 0.7543688762275012
Energy: 0.7284085936001865
Energy: 0.7498686416281943
Energy: 0.7289421906180467
Energy: 0.7294206203360853
Energy: 0.7503098891541081
Energy: 0.7281583621892168
Energy: 0.6988312743121511
Energy: 0.879114211906431
Energy: 0.732934191147584
Energy: 0.7332468957444643
Energy: 0.7325676372471155
Energy: 0.73331492735513
Energy: 0.8784103541731001
Energy: 0.7474416534176991
Energy: 0.8192195036910016
Energy: 0.7324584630944014
Energy: 0.7322387032438886
Energy: 0.7316614947293231
Energy: 0.7318717888609227
Energy: 0.7282968093595997
Energy: 0.7478516436338404
Energy: 0.8190266122860717
Energy: 0.7330697587357883
Energy: 0.7332226030303943
Energy: 0.7322799796777651
Energy: 0.7324646772013926
Energy: 0.7298300271282578
Energy: 0.6987401651149331
Energy: 0.8787159313325
Energy: 0.6802636977493849
Energy: 0.8781038409817783
Energy: 0.7337583322964599
Energy: 0.6816753949193726
Energy: 0.878915387650246
Energy: 0.7504288508368002
Energy: 0.8189658161589348
Energy: 0.7317947250778588
Energy: 0.7289641841071405
Energy: 0.7284153514034758
Energy: 0.7337914249809562
Energy: 0.7287819645063036
Energy: 0.7477849516646281
Energy: 0.8776823449867242
Energy: 0.7327361851718872
Energy: 0.7324103393212477
Energy: 0.7322027900247
Energy: 0.7322787230014985
Energy: 0.8788405948018018
Energy: 0.7474991417131446
Energy: 0.8182786215264286
Energy: 0.7327166216384993
Energy: 0.7323508063358795
Energy: 0.7313860739644251
Energy: 0.7314399614502213
Energy: 0.8779021357717759
Energy: 0.7484111949108676
Energy: 0.8195076598318083
Energy: 0.7340445701307543
Energy: 0.7287087883147568
Energy: 0.7330206449447904
Energy: 0.7336015166209204
Energy: 0.7288694575915275
Energy: 0.6990463943614477
Energy: 0.8789917994215776
Energy: 0.6820221143134295
Energy: 0.8782485613106951
Energy: 0.8796471742990599
Energy: 0.6816547928611842
Energy: 0.878168315061745
Energy: 0.7486763190924582
Energy: 0.8193553435455027
Energy: 0.7337627385402409
Energy: 0.7324725569452862
Energy: 0.732976656124716
Energy: 0.7367756471795837
Energy: 0.7294013869929998
Energy: 0.7472558075919223
Energy: 0.8186184828167836
Energy: 0.7359399519808523
Energy: 0.7321197034532451
Energy: 0.7316482655258705
Energy: 0.732135274410599
Energy: 0.8805060305606364
Energy: 0.7481649279202945
Energy: 0.8791656788552981
Energy: 0.733450287259319
Energy: 0.7329565800378642
Energy: 0.732056537983479
Energy: 0.7322229936541969
Energy: 0.8795850542547443
Energy: 0.7480207550214686
Energy: 0.8191438650787453
Energy: 0.7321114267575459
Energy: 0.7289188120898166
Energy: 0.7298021988689227
Energy: 0.7317619996544329
Energy: 0.728086429870742
Energy: 0.6988228319111773
Energy: 0.8788006694363278
Energy: 0.6803773388315116
Energy: 0.7339269911463244
Energy: 0.734039981034038
Energy: 0.7334268025361146
Energy: 0.8791119726746972
Energy: 0.7472647338859248
Energy: 0.8200874257278825
Energy: 0.733023658645048
Energy: 0.7327992761432567
Energy: 0.7321863445205243
Energy: 0.732084157197001
Energy: 0.7305466308828288
Energy: 0.7471676601287811
Energy: 0.8195438153825617
Energy: 0.7365482350126653
Energy: 0.7326949076674287
Energy: 0.7315858920959729
Energy: 0.7324993529329442
Energy: 0.7283965226046332
Energy: 0.6988353304298541
Energy: 0.8790112304583332
Energy: 0.734440516288833
Energy: 0.7335176170821552
Energy: 0.7331832785813182
Energy: 0.7335226854022183
Energy: 0.8789411754409477
Energy: 0.7496535638851317
Energy: 0.8194603417149536
Energy: 0.7326471344439842
Energy: 0.7288833190976856
Energy: 0.7294705603810543
Energy: 0.7320087609376416
Energy: 0.7281781009882592
Energy: 0.748374894737757
Energy: 0.8791191621112894
Energy: 0.7372418401743365
Energy: 0.732910456925684
Energy: 0.7327591363209266
Energy: 0.7327824798660003
Energy: 0.878862018984203

minimum gb energy = 0.6802636977493849 eV
minimum distance =  2.50328151501846 Angstroms
sigma value = 23