Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.608429037034512
cohesive_energy=4.2554470964142315
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.82683384161948e-19, 2.67023564352342e-19, 3.2946038777932195e-19, 3.80467283099346e-19, 4.23421638656886e-19, 4.60247668589376e-19, 4.92179048904996e-19, 5.200665353964e-19, 5.44528568244312e-19, 5.660361873791279e-19, 5.84953086896766e-19, 6.01572465121248e-19, 6.161827138466939e-19, 6.290497943943479e-19, 6.40196137237086e-19, 6.49737099092556e-19, 6.57815273681184e-19, 6.645556307804219e-19, 6.70060709694846e-19, 6.744202323159599e-19, 6.77706296592294e-19, 6.79984591765842e-19, 6.813127961954279e-19, 6.817437817099739e-19, 6.81280752662748e-19, 6.797875240398599e-19, 6.7708304988166795e-19, 6.72955842872484e-19, 6.67155963457404e-19, 6.59382202429236e-19, 6.4927407004533e-19, 6.36398978614506e-19, 6.20231414200812e-19, 6.00128903974014e-19, 5.753079835600859e-19, 5.4479613174219e-19, 5.07386909514924e-19, 4.6156305560589e-19, 4.05401958054288e-19, 3.36447480080196e-19, 2.5151129018195396e-19, 1.464214806222894e-19, 1.562311274992812e-20, -1.4837982112202759e-19, -3.5591713053656397e-19, -6.21734255883504e-19, -9.688586410526759e-19, -1.436152682478384e-18, -2.09426916536676e-18, -3.0829082791428e-18, -4.70581707878676e-18, -7.6987791616968e-18, -1.407259029060828e-17, -3.0048502335343197e-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: 0.018637042772736923
Energy: 0.11538691226360528
Energy: 0.11767999717764853
Energy: 0.11693224446777789
Energy: 0.02229874942267201
Energy: 0.020020138797027357
Energy: 0.11496098016012625
Energy: 0.11738733750595282
Energy: 0.11622545751419787
Energy: 0.02151284178696121
Energy: 0.11465078555613557
Energy: 0.11442798254268946
Energy: 0.1152901982942882
Energy: 1.0070303026973964
Energy: 0.11721524053063594
Energy: 0.11520501402673466
Energy: 0.11588158252240785
Energy: 0.11489249919220106
Energy: 0.9902058477902865
Energy: 0.11744434597706477
Energy: 0.11789797270444456
Energy: 0.022245543838870032
Energy: 0.019052477774218098
Energy: 0.11577229028846366
Energy: 1.002616833481107
Energy: 0.11722596780983753
Energy: 0.021676153624079736
Energy: 0.01902441688074448
Energy: 0.11530615030455953
Energy: 1.0087531839573582
Energy: 0.11709963718609888
Energy: 0.019612583626971252
Energy: 0.0198602444010702
Energy: 0.11558327913330518
Energy: 0.11507940856525485
Energy: 0.11731808262514033
Energy: 0.02002886596897857
Energy: 0.019266578694358757
Energy: 0.11551680286959184
Energy: 0.11495032287028074
Energy: 0.11712159685151782
Energy: 0.11607932336404911
Energy: 0.11887660297470926
Energy: 0.020448522491666305
Energy: 0.019382052403981703
Energy: 1.0001198792130745
Energy: 0.1166491787505291
Energy: 0.11763484991375357
Energy: 0.0213256221268707
Energy: 0.11590330680901599
Energy: 0.11900972518111863
Energy: 0.9878075351050896
Energy: 0.1165585068480714
Energy: 0.019845715580321985
Energy: 0.019116471663295845
Energy: 0.11801083603740374
Energy: 0.9844312041273018
Energy: 0.11712061583453404
Energy: 0.020327668786348133
Energy: 0.01922255598479137
Energy: 0.019171600890160696
Energy: 0.11881568671206254
Energy: 1.0004721597757718
Energy: 0.11593024587292482
Energy: 0.11930447422755115
Energy: 0.024810055358512523
Energy: 0.11966530907554229
Energy: 0.9997468080642535
Energy: 0.11672265473640507
Energy: 0.11905657734229425

minimum gb energy = 0.018637042772736923 eV
minimum distance =  2.51503013915453 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: -1.0242232143579382
Energy: 0.901510964888721
Energy: -1.418075770347647
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Energy: 0.8419572266385422
Energy: 0.9586782238630037
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Energy: 0.9812048433895662
Energy: 1.132404334794559
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Energy: -0.5527138294153938
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Energy: 1.1781795684467196
Energy: 0.927509788266014
Energy: 0.9231289021670506
Energy: 0.850878667167787
Energy: 0.9323539838548636
Energy: 0.867299895603535
Energy: 0.867050189025301
Energy: -1.1316294811159777
Energy: 1.0452292021755172
Energy: -0.6208202508131664
Energy: 0.8788853392523167
Energy: 0.870142498599069
Energy: 0.8991946724757188
Energy: 0.9237010268086706
Energy: 1.0392350197814149
Energy: -0.8108825554967283
Energy: 1.042971424579245
Energy: 0.7349361593679844
Energy: 0.6821634258700903
Energy: 0.5973262030990926
Energy: 1.1415252469179427
Energy: 1.2120879752749094
Energy: 1.1625322967771372
Energy: 0.8520247458423532
Energy: -0.7838257815357935
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Energy: -0.8326114238066005
Energy: 1.309841265577021
Energy: -1.150870106757794
Energy: 0.9044714191701653
Energy: 0.9000332211778806
Energy: 0.8541832319790267

minimum gb energy = -1.6957698266448062 eV
minimum distance =  2.18290455400272 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.9986165469477387
Energy: 0.9628261846727226
Energy: 1.0096518317200691
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Energy: 0.9993720050794069
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minimum gb energy = 0.25536384629043724 eV
minimum distance =  2.22435508902879 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.7847122388252586
Energy: 0.9904313385835993
Energy: 0.9970159890254708
Energy: 1.0049301072375625
Energy: 0.9475176441935026
Energy: 0.9192016832667268
Energy: 0.9957223673730629
Energy: 1.0045505176762004
Energy: 0.9769757452734631
Energy: 0.9480074534930004
Energy: 0.9412935025310337
Energy: 1.0033669728357824
Energy: 1.2742380514591634
Energy: 0.9932881923492001
Energy: 0.9378532666742682
Energy: 0.9551580597951057
Energy: 0.9761031440820849
Energy: 0.9907953854357953
Energy: 0.9872394367585611
Energy: 0.9613647490705488
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Energy: 1.021865469806836
Energy: 0.9957540492150605
Energy: 1.0004531128028464
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Energy: 0.9439553536826988
Energy: 1.0072885335094577
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Energy: 0.9723576610837055
Energy: 0.9789930072716366
Energy: 0.9692835425014579
Energy: 1.0412855286919087
Energy: 0.9970223787975587
Energy: 0.944479621283093
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Energy: 1.0431586341912789
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Energy: 0.9333936401610574
Energy: 0.9057350947698916
Energy: 0.9327498959050973
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Energy: 0.9640547948406311
Energy: 0.9830385917783367
Energy: 1.0029879979335419
Energy: 0.8831017155573874
Energy: 1.0170438648391222
Energy: 0.9630622030519947
Energy: 0.9732304283831411
Energy: 0.9826763488305665
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Energy: 0.9878525661905669
Energy: 0.9359966909792408
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Energy: 0.9817799533186119
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Energy: 0.9488785853864043
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Energy: 0.9258234410363476
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Energy: 0.9834513200242738
Energy: 0.9517181421479445
Energy: 0.9890916295570668
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Energy: 0.883719419029111
Energy: 0.934446014582064
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Energy: 0.944990810663496
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Energy: 0.9220976674246318
Energy: 0.9639939732711371
Energy: 1.206854674075922
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Energy: 0.9218610491649586
Energy: 0.9218965039246935
Energy: 0.9430509659865306
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Energy: 0.8794449957347029
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Energy: 0.9346292490485165
Energy: 1.051961255200394
Energy: 0.8000737012885754
Energy: 0.775432523459515
Energy: 0.9273602293650178
Energy: 0.9508381054236993
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Energy: 0.7974129679639749
Energy: 0.9120325133586096
Energy: 0.8186204201763264
Energy: 0.9381560950454366
Energy: 0.9731790880148256
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Energy: 0.9078456142829098
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Energy: 0.8910747614604919
Energy: 1.0212800904398307
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Energy: 0.8036825436766747
Energy: 0.9161407762572105
Energy: 0.9327163569610585
Energy: 1.1019821326149934
Energy: 0.9533266040507868
Energy: 0.9817303330274663
Energy: 0.9593310461725625
Energy: 0.9716442039610104
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Energy: 0.9444998933459046
Energy: 0.9817219044297156
Energy: 0.9763591819758318
Energy: 0.9979866518139492
Energy: 0.9659720219656935
Energy: 0.9447397212027847
Energy: 0.9810033278071298
Energy: 0.9504166333324614
Energy: 1.0075576142973552
Energy: 0.9671293871360587
Energy: 0.9682256007144262
Energy: 0.9815471641556234
Energy: 0.9344489717927995
Energy: 0.9533049875675996
Energy: 0.9367205665154917
Energy: 0.9627462909034307
Energy: 1.0085100537905731
Energy: 0.9861518720660363
Energy: 0.9692217807035043
Energy: 0.9609839385819672
Energy: 1.0191306210944209
Energy: 0.9864915366122124
Energy: 0.9703025494500782
Energy: 0.9585825787167497
Energy: 0.977061629056064
Energy: 0.9900690620915819
Energy: 1.015810864113908
Energy: 0.9742928200247618
Energy: 0.975648487874824
Energy: 1.0012312741477176
Energy: 0.9624849477802718
Energy: 1.0159379029184963
Energy: 0.9741370395713699
Energy: 0.9699229428795682
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Energy: 0.9665981964338878
Energy: 0.9729452116820488
Energy: 0.997389846609979
Energy: 0.9899460071316868
Energy: 0.9186625851134756
Energy: 0.9852464177638425
Energy: 0.9991260219053252
Energy: 1.015434811071914
Energy: 1.0187926094478226
Energy: 0.96609000642709
Energy: 1.0259603240011295
Energy: 1.0131943694113692
Energy: 1.006613069788937
Energy: 1.002813358507306
Energy: 0.9309924569776837
Energy: 1.0148692215866548
Energy: 1.0193994234232657
Energy: 0.9697459073105449
Energy: 1.013836212553993
Energy: 0.9310209857676643
Energy: 1.008785553196365
Energy: 1.0515610828364328
Energy: 1.0080169496733136
Energy: 0.9951946231002181
Energy: 0.9674034063112098
Energy: 0.9329309314105956
Energy: 0.9758396812256294
Energy: 0.9815984173312536
Energy: 0.9953647969918161
Energy: 1.049011233350207
Energy: 0.9321523422010609
Energy: 0.985768052880664
Energy: 0.9997930774348612
Energy: 0.9734458265556052
Energy: 0.8647859991954624
Energy: 0.9941582799215399
Energy: 1.0180041651753529
Energy: 0.993765089261042
Energy: 0.9794394156212459
Energy: 0.7676218514877553
Energy: 1.0131125526800224
Energy: 0.9547988363777002
Energy: 0.936812723226362
Energy: 0.9297227449818076
Energy: 0.930245819308341
Energy: 0.9460961524396564
Energy: 0.9621742357623723
Energy: 0.8962292835448559
Energy: 0.9263847780922063
Energy: 0.9144327679373441
Energy: 0.9640848545247653
Energy: 0.9960612534423093
Energy: 1.038205700141549
Energy: 0.96342086536656
Energy: 0.9186104547176085
Energy: 0.9773102099386609
Energy: 0.9954334721767588
Energy: 1.0156176268423462
Energy: 0.9238410338710598
Energy: 0.9347228114317874
Energy: 1.0281215367539902
Energy: 0.9738690444867275
Energy: 0.9822149699545837
Energy: 0.9767005308500801
Energy: 0.9490228966136177
Energy: 0.9402810455619244
Energy: 0.9589817215958487
Energy: 0.9860089954338561
Energy: 0.9817564509963079
Energy: 1.0505584692281889
Energy: 1.1173040674009385
Energy: 0.9919273859844284
Energy: 1.0338017829358197
Energy: 0.989306297241128
Energy: 0.9255821804517818
Energy: 1.1173029144642144
Energy: 0.9516788068634806
Energy: 0.9564802066907045
Energy: 0.9807808703781852
Energy: 0.9732934228008161
Energy: 0.9441938516246596
Energy: 0.9770456219291963
Energy: 0.9430259559185155
Energy: 0.9922985771626033
Energy: 0.9562982818637925
Energy: 0.8845117943391576
Energy: 0.9994389256263471
Energy: 0.942600457218832
Energy: 0.9797843802665638
Energy: 1.0252945946207672
Energy: 0.9634031135651883
Energy: 0.9497705332963525
Energy: 0.9514995445070353
Energy: 0.9352292733605707
Energy: 0.9476973455850486
Energy: 0.9625597111219472
Energy: 0.9350033784865598
Energy: 0.9560917521415646
Energy: 0.9612317947445186
Energy: 0.964114556354238
Energy: 0.9298150393826323
Energy: 0.9759170321759243
Energy: 1.0513964738353376
Energy: 0.9442599022064055
Energy: 0.8842518133270377
Energy: 0.9015864855619954
Energy: 0.9691418093263887
Energy: 0.9558122075812217
Energy: 0.7994970191800015
Energy: 0.8812996988789737
Energy: 0.9419727431303404
Energy: 0.945916448610646
Energy: 0.9029385902382896
Energy: 0.8015999593758615
Energy: 0.8396336974183483
Energy: 0.8187700105353659
Energy: 1.0309410416947506
Energy: 0.8649747333821326
Energy: 0.9040752908936278
Energy: 0.9034959345056363
Energy: 0.9783867597156793

minimum gb energy = 0.7676218514877553 eV
minimum distance =  2.23983220113473 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.340642236119205
Energy: 0.874930533997854
Energy: 0.8727223390131111
Energy: 0.8721748333114239
Energy: 0.8491208912195229
Energy: 1.3409671769003042
Energy: 0.873720590224837
Energy: 0.8912492629502768
Energy: 0.8727536926870066
Energy: 0.8494254756822054
Energy: 0.8893367622418958
Energy: 0.8622086800378606
Energy: 0.8736140726546504
Energy: 0.9240119580542534
Energy: 0.8858850597877697
Energy: 0.8619669454692026
Energy: 0.8622113639159307
Energy: 0.8732392599003395
Energy: 0.923143214855147
Energy: 0.8874561959715707
Energy: 0.9161645634210274
Energy: 0.9402059700024552
Energy: 0.9030884899561146
Energy: 0.853036357655152
Energy: 0.8484163824389722
Energy: 0.8541160398076488
Energy: 0.8508808339687891
Energy: 0.9145173977080673
Energy: 0.8549677056073354
Energy: 0.9144091048355008
Energy: 1.0002636148167894
Energy: 0.9013566707982382
Energy: 0.8517378767783259
Energy: 0.852006718910631
Energy: 0.9158783817711226
Energy: 0.9396430977191017
Energy: 0.8728773826371072
Energy: 0.8518456946388311
Energy: 0.8532502588230997
Energy: 0.8498110848421758
Energy: 0.8647429601934066
Energy: 1.1893419102373706
Energy: 0.9451907372933912
Energy: 0.9253973631746243
Energy: 0.8747566833056596
Energy: 0.8660474063188137
Energy: 0.8777262286761346
Energy: 0.9449899838175762
Energy: 0.9254756462595785
Energy: 0.8760497182420228
Energy: 0.9146386037683353
Energy: 1.2732891138332134
Energy: 0.9737350587566415
Energy: 0.9293106460851202
Energy: 0.8732762331976089
Energy: 0.9146322019055008
Energy: 1.114131936303826
Energy: 0.9016505664328991
Energy: 0.9291217547760037
Energy: 0.8744515252233365
Energy: 0.8524631042000111
Energy: 0.8625797177148079
Energy: 0.8638692384449845
Energy: 0.8901681726491635
Energy: 0.8660519173292347
Energy: 0.8889506551802578
Energy: 0.907004274116254
Energy: 0.8628933426974492
Energy: 0.8906057698037917
Energy: 0.8624921772292665
Energy: 0.9205073007156359
Energy: 0.9443494179400701
Energy: 0.8992314715620786
Energy: 0.9699298820160498
Energy: 0.8614260587506103
Energy: 1.3612182933546628
Energy: 0.8999710132071876
Energy: 0.9000992775856823
Energy: 0.9710230036705398
Energy: 0.8484135485460813
Energy: 1.189859396579223
Energy: 0.8614021288563827
Energy: 0.9213989631361672
Energy: 0.9000194250771419
Energy: 0.9442559693790143
Energy: 1.1894605319787777
Energy: 0.8627355042538583
Energy: 0.9222417086089929
Energy: 0.9005223246496961
Energy: 0.9435534257728785
Energy: 0.9666693776909969
Energy: 0.8509670210072418
Energy: 0.8756604605756663
Energy: 0.9156287422351846
Energy: 0.8868913019592004
Energy: 0.9642690261206299
Energy: 0.8513936364371874
Energy: 0.8703991679957861
Energy: 0.8516310619138457
Energy: 0.8893490501755987
Energy: 0.8533522609076959
Energy: 0.9136446008534025
Energy: 0.8507345908631886
Energy: 1.001600372942173
Energy: 1.3342852892530201
Energy: 0.8539287504665516
Energy: 0.9138311684301459
Energy: 0.8513315423717367
Energy: 1.001672027295001
Energy: 1.3412522227978265
Energy: 0.8523177990311191
Energy: 0.9014416410330075
Energy: 0.8516786587589312
Energy: 0.9242066144274896
Energy: 0.9153160000449693
Energy: 0.8536188294368513
Energy: 0.900532398016403
Energy: 0.8519233134977773
Energy: 0.9048068883338349
Energy: 0.9167731571608695
Energy: 0.9402036994005386
Energy: 1.0642491666309002
Energy: 0.8993559603953624
Energy: 0.9015764427727583
Energy: 0.9119980609563096
Energy: 0.9434355032305922
Energy: 1.1898260148657722
Energy: 0.8995095521675075
Energy: 0.9228710369448334
Energy: 0.9072057056800513
Energy: 0.9139281116221548
Energy: 1.060159203184645
Energy: 0.8870556184138991
Energy: 0.9222495827443095
Energy: 0.9737733851768706
Energy: 0.888410756190769
Energy: 1.0273090738114103
Energy: 0.8723510831820964
Energy: 0.9264085689226018
Energy: 0.9716097311121816
Energy: 0.8741481443966553
Energy: 0.9071492852110205
Energy: 0.8728910956833712
Energy: 0.8717378184950187
Energy: 0.8630520772024959
Energy: 0.8492696793403971
Energy: 0.9064633822656861
Energy: 0.8739041024492242
Energy: 0.8723816507808291
Energy: 0.8642136714448513

minimum gb energy = 0.8484135485460813 eV
minimum distance =  2.26090836970949 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.7707295562461952
Energy: 0.840995844439359
Energy: 0.7694638090611525
Energy: 0.7842759032236747
Energy: 0.7290487210143088
Energy: 0.9820163911093824
Energy: 0.7758578293860889
Energy: 0.7774879080440641
Energy: 0.7779690990551359
Energy: 0.8073521640182603
Energy: 0.8106670320162811
Energy: 0.8331725628281188
Energy: 0.8097153680410949
Energy: 0.8133345302815841
Energy: 0.7366705377863599
Energy: 0.7717288380711751
Energy: 0.776302119021869
Energy: 0.8031186772460017
Energy: 0.8431575529636981
Energy: 0.7513850919867744
Energy: 0.7893481691900202
Energy: 0.8436902785181931
Energy: 0.8440719874043738
Energy: 0.7836104108981692
Energy: 0.7725129355778013
Energy: 0.788180342176994
Energy: 0.8577525006134368
Energy: 0.8583883955262862
Energy: 0.8197582088243288
Energy: 0.7812131708970543
Energy: 0.7896914712889239
Energy: 0.8246585916737439
Energy: 0.8350439537584308
Energy: 0.7771645985755192
Energy: 1.0218941482417367
Energy: 0.8271541458592022
Energy: 0.802460974660139
Energy: 0.8361520701102739
Energy: 0.7832083093752011
Energy: 0.9415356794248707
Energy: 0.8316059661569328
Energy: 0.8273561198662849
Energy: 0.8253062544169802
Energy: 0.8105080891367015
Energy: 0.8050935020810925
Energy: 0.7953996248690938
Energy: 0.8371873453867597
Energy: 0.8205900559650887
Energy: 0.8242740250731796
Energy: 0.8478267434411983
Energy: 0.8601568005633152
Energy: 0.8751842634096897
Energy: 0.8542779760951383
Energy: 0.8712116794466925
Energy: 0.7800362932567012
Energy: 0.8106903002318376
Energy: 0.8575671987945809
Energy: 0.8479795282797639
Energy: 0.8747380301392499
Energy: 0.8094860565475086
Energy: 0.8428006947921923
Energy: 0.8282072141754088
Energy: 0.8250637440649301
Energy: 0.8279546922773995
Energy: 0.8123535105047052
Energy: 0.8907770774499874
Energy: 0.8038033036255927
Energy: 0.8171235055109515
Energy: 1.012976485988017
Energy: 0.8207297300431133
Energy: 0.816971836914341
Energy: 0.8137409821282778
Energy: 0.8214717847134203
Energy: 0.8492791989460223
Energy: 0.7746846721972812
Energy: 0.8789046312048839
Energy: 0.8019384096522253
Energy: 0.8102120251644231
Energy: 0.808656183685839
Energy: 0.8209750751350481
Energy: 0.8050668855494721
Energy: 0.7992807673816322
Energy: 0.900077130073678
Energy: 0.7950820120152791
Energy: 0.8438118127061348
Energy: 0.8217020398238426
Energy: 0.7891658557371756
Energy: 0.9508618575338306
Energy: 0.8507612966247852
Energy: 0.8428973268417421
Energy: 0.808253978937898
Energy: 0.8017916374598834
Energy: 0.8002942409572235
Energy: 0.7963113637450643
Energy: 0.8283078034899879
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Energy: 0.8016920297606462
Energy: 0.7705727492256408
Energy: 0.7848339526718728
Energy: 0.7741900687909244
Energy: 0.790459245891531
Energy: 0.8074244508054266
Energy: 0.7841819412040866
Energy: 0.9381984977827782
Energy: 0.8722430572929466
Energy: 0.791636807583262
Energy: 0.7811373646123926
Energy: 0.7896043780934721
Energy: 0.905984939604425
Energy: 0.8803326379123708
Energy: 0.787330441017167
Energy: 0.8057732878019569
Energy: 0.9102268439055752
Energy: 0.8052646720723016
Energy: 0.7840718694992654
Energy: 0.8202773941432007
Energy: 0.8029571538616312
Energy: 0.8296546757949954
Energy: 0.805044334099248
Energy: 0.7804629681836037
Energy: 0.8119541312037116
Energy: 0.7909187999022508
Energy: 0.8214375598612028
Energy: 0.7862979870635513
Energy: 0.8344401108370104
Energy: 0.8710304700934862
Energy: 0.7932276408554195
Energy: 0.7897140397622789
Energy: 0.7671011083281336
Energy: 0.8236910673477543
Energy: 0.7818695680489895
Energy: 0.8247268416791186
Energy: 0.8653026799001893
Energy: 0.780269776496104
Energy: 0.7793253997286181
Energy: 0.7925518018069826
Energy: 0.8273954222114636
Energy: 0.7940210826948968
Energy: 0.7894298367033987
Energy: 0.7772508027009704
Energy: 0.7898670268601493
Energy: 0.8244244770161885
Energy: 0.818697620387401
Energy: 0.8252333107703433
Energy: 0.8419614543850611
Energy: 0.8635353126501908
Energy: 0.8290299511208176
Energy: 0.7735376001671814
Energy: 0.8125998206263683
Energy: 0.8198515298608894
Energy: 0.8835903198267707
Energy: 0.8479805615531918
Energy: 0.772573759872277
Energy: 0.8284531492835953
Energy: 0.8302639251317275
Energy: 0.883144054343993
Energy: 0.8232246940977173
Energy: 0.7755708087183774
Energy: 0.7997581663049139
Energy: 0.8379391359442375
Energy: 0.851516381370106
Energy: 0.8215810620669068
Energy: 0.7697257144160298
Energy: 0.7709617503995042
Energy: 0.09843967497426168
Energy: 0.8477496915584488
Energy: 0.831262661676013
Energy: 0.7694970924355589
Energy: 0.7732699515833226
Energy: 0.8530458518593851
Energy: 0.822844053794411
Energy: 0.825211091809548
Energy: 0.9150795304942363
Energy: 0.838402427975594
Energy: 0.9061649831743955
Energy: 0.8242829315428448
Energy: 0.8133597047018055
Energy: 0.9775611839798308
Energy: 0.7744610726840602
Energy: 0.9054698811585165
Energy: 0.7742475412178446
Energy: 0.8256256088224831
Energy: 0.8049876694135305
Energy: 0.8378416574696381
Energy: 0.9124201680666555
Energy: 0.8394696311120449
Energy: 0.9028479249125476
Energy: 0.7826419926912921
Energy: 0.8514727382494003
Energy: 0.8985758828677927
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Energy: 0.845038209912643
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Energy: 0.8104345340526767
Energy: 0.8137256504859623
Energy: 0.8268403473164361
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Energy: 0.9234347277867557
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Energy: 0.8256838605235749
Energy: 0.8122409960570952
Energy: 0.8443766428243111
Energy: 0.8516438744027074
Energy: 0.8480032517577547
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Energy: 0.8435782788114059
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Energy: 0.7875102521581567
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Energy: 0.7973624259743388
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Energy: 0.8157797561438968
Energy: 0.8638231606451805
Energy: 0.8749157289109744
Energy: 0.8280865909030924
Energy: 0.8256134294740195
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Energy: 0.9796272969118549
Energy: 0.8488379802697056
Energy: 0.8687468821858279
Energy: 0.8177022746013615
Energy: 0.8190282801712229
Energy: 0.9752196906187257
Energy: 0.8159045420503528
Energy: 0.8732528149976321
Energy: 0.7548659076110464
Energy: 0.8340413948814936
Energy: 0.820369697981471
Energy: 0.78960942164691
Energy: 0.9618006059716735
Energy: 0.8131071835944064
Energy: 0.8363541039911923
Energy: 0.8008423632577967
Energy: 0.7968490090434532
Energy: 0.8705571232145414
Energy: 0.7902666715253716
Energy: 0.7397818389571841
Energy: 0.8244488600136206
Energy: 0.7972046573237076
Energy: 0.8697846528509768
Energy: 0.7482367554589269
Energy: 0.8081286012426184
Energy: 0.789577263151381
Energy: 0.8229343877578027
Energy: 0.8643016540443845
Energy: 0.8144203799995278
Energy: 0.7710152962701619
Energy: 0.7606932842090329
Energy: 0.797381148430709
Energy: 0.756204123943993
Energy: 0.8028623150925405
Energy: 0.7360551899792434
Energy: 0.8117058390493611
Energy: 0.7825086475792671
Energy: 0.841996453616092
Energy: 0.8374714825695067
Energy: 0.8353796283990755
Energy: 0.7462919843512412
Energy: 0.7620784294118742
Energy: 0.7861024138258556
Energy: 0.9125497178905966
Energy: 0.8093339800605414
Energy: 0.7683923668073297

minimum gb energy = 0.09843967497426168 eV
minimum distance =  2.25853821946016 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.6781269929054257
Energy: 1.2152963252404396
Energy: 0.6512438245907555
Energy: 0.4249886528371648
Energy: 0.45993604847647696
Energy: 0.6439504233837696
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Energy: 0.5623844700939371
Energy: 0.6039334707704478
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Energy: 0.7057548427633897
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Energy: 0.5475125334097831
Energy: 1.0438014973612266
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Energy: 0.556455598758148
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Energy: 0.7060372080353418
Energy: 0.6051220659116834
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Energy: 0.9862033920462782
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Energy: 0.38969423702328126
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Energy: 0.6290399390023071
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Energy: 0.6911351695083925
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Energy: 0.6292062118472739
Energy: 0.6367652314495641
Energy: 0.6232445393497001
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Energy: 0.8954457247982883
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Energy: 0.4855651330844114
Energy: 0.63011934789184
Energy: 1.385416720676567
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Energy: 0.49385328949778473
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Energy: 0.5769245632602105
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Energy: 0.8929554024799821
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Energy: 0.6364645587691883
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Energy: 0.43499086187163943
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Energy: 0.4837987823663801
Energy: 0.4838963424019747
Energy: 0.606429193836771
Energy: 0.8054337739974582
Energy: 0.5207986525236771
Energy: 0.5613467843430713
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Energy: 0.603548737727706
Energy: 0.5859602292929801
Energy: 0.6466490542835263
Energy: 0.6463064531431161
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Energy: 0.4298021941593874
Energy: 0.5823540635695644
Energy: 0.7380051265572807
Energy: 0.6968843986460576
Energy: 0.5587630131281115
Energy: 0.52662329754585
Energy: 0.6243760222744822
Energy: 0.7064722582861716
Energy: 0.6543093734995008
Energy: 0.42865688593306017
Energy: 0.44037473794140847
Energy: 0.5877970136190311
Energy: 1.3382790057968033
Energy: 0.6036927752590376
Energy: 0.5271934673353447
Energy: 0.5360636810539069
Energy: 0.6954095746615622
Energy: 1.2800029108244289
Energy: 0.6235563298682322
Energy: 0.590413389820289
Energy: 0.6123990225784259
Energy: 0.64852232276111
Energy: 0.39497156648516385
Energy: 0.56076716704017
Energy: 0.5838115728931035
Energy: 0.33562393514195643
Energy: 0.6853936871354634
Energy: 0.7913597139521499
Energy: 0.5560252321394632
Energy: 0.714343258960622
Energy: 0.6748069980077595
Energy: 0.6542391055003157
Energy: 0.6094066229491503
Energy: 0.5613906425451096
Energy: 0.4246805630133585
Energy: 0.6416026168826413
Energy: 0.58773451223081
Energy: 0.5570625644063552
Energy: 0.7160120553982563

minimum gb energy = 0.1878657987935304 eV
minimum distance =  2.36882794237251 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.6949928366575111
Energy: 0.6909374745760893
Energy: 0.6489273536403226
Energy: 0.6635816650327132
Energy: 0.6656574973349583
Energy: 0.6610273377062329
Energy: 0.6905497940561214
Energy: 0.6956178740098101
Energy: 0.6710504460645925
Energy: 0.6662666287167595
Energy: 0.6979180049280651
Energy: 0.7056266081845995
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Energy: 0.7052853929008268
Energy: 0.7133262271162498
Energy: 0.7178669013803436
Energy: 0.6861949810235862
Energy: 0.6652336979294088
Energy: 0.7224327944361756
Energy: 0.7269048715426677
Energy: 0.7084998696534096
Energy: 0.6719088128961233
Energy: 0.6662024898189389
Energy: 0.7039588403930187
Energy: 0.7268388513607346
Energy: 0.7260273982960005
Energy: 0.6717651169898853
Energy: 0.18525392545271427
Energy: 0.6770782919101895
Energy: 0.6789217608735441
Energy: 0.7031021511598674
Energy: 0.6563218729056379
Energy: 0.5186405426038249
Energy: 0.7000778695372637
Energy: 0.6784829845556233
Energy: 0.6953511787546172
Energy: 0.7891079950465715
Energy: 0.705534366198956
Energy: 0.6681571191392507
Energy: 0.725545279086601
Energy: 0.6782734107721436
Energy: 0.7235882513402232
Energy: 0.7055211405218997
Energy: 0.6694840807705928
Energy: 0.7338119989862586
Energy: 0.6788592287507392
Energy: 0.6915595500042429
Energy: 0.6609909281900334
Energy: 0.6673782979838372
Energy: 0.015051353281546501
Energy: 0.656972360980193
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Energy: 0.6567194859473463
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Energy: 0.30522026479208914
Energy: 0.6665046036783142
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Energy: 0.6503393067584478
Energy: 0.6642137744994094
Energy: 0.6559536734103498
Energy: 0.6706643283319289
Energy: 0.6446575356864475
Energy: 0.6916638385766205
Energy: 0.6663459665110534
Energy: 0.7494300727222898
Energy: 0.6784079125896619
Energy: 0.6315970065857036
Energy: 0.7051848350290163
Energy: 0.6666172779505554
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Energy: 0.6786887023607437
Energy: 0.6799567364263799
Energy: 0.6533975575535327
Energy: 0.6645866552990654
Energy: 0.6647224552253095
Energy: 0.6693920667178893
Energy: 0.683066868468164
Energy: 0.6478730846022593
Energy: 0.6646510633409208
Energy: 0.6577062064377602
Energy: 0.6743013045041704
Energy: 0.6670839917906662
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Energy: 0.5113878988931237
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Energy: 0.6783403109794894
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Energy: 0.7063702051000157
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Energy: 0.6892235243162205
Energy: 0.6730779096142119
Energy: 0.6277740948658879
Energy: 0.6585423921257344

minimum gb energy = -0.10444793714209882 eV
minimum distance =  2.31919313620975 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.69311129566506
Energy: 0.9048941876465968
Energy: 0.8836791536456818
Energy: 0.8842574005594112
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Energy: 0.8492705748331115
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Energy: 0.8330652701928244
Energy: 0.8820938821724038
Energy: 0.9811500220463675
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Energy: 0.9220834731036434
Energy: 0.9168975228796594
Energy: 0.9037610379957522
Energy: 0.9813961106175079
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Energy: 0.9044807914590599
Energy: 0.9068580069509302
Energy: 1.0602608605740282
Energy: 0.9659414990446235
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Energy: 0.8735663126703541
Energy: 0.9039608191213314
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Energy: 0.9057608035973065
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Energy: 0.8984720329663884
Energy: 0.9673335467446861
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Energy: 0.907956394902651
Energy: 0.8641340058408878
Energy: 1.030050959980937
Energy: 0.8351069892716715
Energy: 1.2037661296723814
Energy: 0.8424733107224145
Energy: 0.881158711352919
Energy: 0.8694187982184376
Energy: 0.8683276684223178
Energy: 1.265199276057722
Energy: 0.842346103393703
Energy: 0.8814500201954096
Energy: 0.9630760451186945
Energy: 0.8683808888709119
Energy: 0.882586321281551
Energy: 0.9497150967772306
Energy: 0.9535616925387442
Energy: 0.9113701353703644
Energy: 0.9174877056708052
Energy: 0.8840231560790882
Energy: 0.9517172006639653
Energy: 0.9528306693308002
Energy: 0.9060046722411124
Energy: 0.8712197003524533
Energy: 0.8656185192233606
Energy: 0.8819449883705109
Energy: 0.9612857382421014
Energy: 0.8964842306032007
Energy: 0.9035462755377259
Energy: 0.8655384289520113
Energy: 0.881620482452936
Energy: 0.9615992291413321
Energy: 0.8819453892286861
Energy: 0.9035525363317369

minimum gb energy = 0.8326931441904288 eV
minimum distance =  2.30553056769785 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.1786882448305964
Energy: 1.0383822996128376
Energy: 1.1601665554368497
Energy: 1.101123919608159
Energy: 1.154298908849086
Energy: 1.1760861338760114
Energy: 1.0361285278561079
Energy: 1.0844499063562103
Energy: 1.110453630536685
Energy: 1.1562473099555006
Energy: 1.0864179263126508
Energy: 1.0175762469614014
Energy: 1.1778574266328328
Energy: 1.1433883649276178
Energy: 1.1480658881715078
Energy: 1.1086153755112302
Energy: 1.0373005905386896
Energy: 1.1895888712717846
Energy: 1.1397397525280233
Energy: 1.0225048856181895
Energy: 1.1287404019586464
Energy: 1.1216640498192532
Energy: 1.0270688768068126
Energy: 1.0509132670929608
Energy: 1.1522609947652687
Energy: 1.1008411070821726
Energy: 1.1196108139101046
Energy: 1.0313379964144138
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minimum gb energy = 0.8802249176244289 eV
minimum distance =  2.28603735354094 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.215223320227318
Energy: 1.2144780852250925
Energy: 1.0111931624886987
Energy: 1.1382895842939706
Energy: 1.0128450371724
Energy: 1.2162030627269986
Energy: 1.2159404137944663
Energy: 1.0137046902579423
Energy: 1.1376318835928336
Energy: 0.8785712786428758
Energy: 1.000576895452314
Energy: 1.1111510484096658
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Energy: 0.9888761074835076
Energy: 0.886322568391524
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Energy: 1.2052412805637724
Energy: 1.2051553175556937
Energy: 0.9900965512491754
Energy: 1.0829593448521437
Energy: 1.0149573720827134
Energy: 0.965547166101272
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Energy: 1.4258113359580684
Energy: 1.0934109861750965
Energy: 1.0159574559197815
Energy: 0.9651218136925619
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Energy: 1.4259702577167803
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Energy: 1.1223059797021615
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Energy: 0.9893091846266552
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Energy: 1.0932985405466957
Energy: 1.236508893381075
Energy: 0.9956961224578198
Energy: 0.9889541167465974
Energy: 1.0300976515901408
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Energy: 1.1730138260705794
Energy: 0.9894114737073584
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Energy: 0.9923898777729658
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Energy: 1.1718491135814244
Energy: 0.9890368929694368
Energy: 1.2664538585573581
Energy: 1.2531267846647511
Energy: 1.008900961049864
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Energy: 1.2667445836958615
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Energy: 1.1381113182175746
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Energy: 0.9903345261472147
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Energy: 1.0033166665286783
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Energy: 1.1387061592823626
Energy: 1.137803253114191
Energy: 1.0239139403387982
Energy: 1.25889539360736
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Energy: 1.138755209307926
Energy: 1.1391118602691197
Energy: 1.0230232983054988
Energy: 1.257866973946141
Energy: 1.204444650521458
Energy: 1.1849736192259552
Energy: 1.0930030431827333
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Energy: 1.1413292882791617
Energy: 1.2044947462464308
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Energy: 1.1216671631258521
Energy: 1.1115451791763415
Energy: 1.1495777186923757
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Energy: 1.083118829410882
Energy: 1.0932712794492148
Energy: 0.966036114490429
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Energy: 1.0933115937755717
Energy: 0.9660375232657619
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Energy: 1.1641477116604333
Energy: 1.1123345872944035
Energy: 1.1224978879319716
Energy: 1.0418875035296362
Energy: 1.203734078445416
Energy: 0.9993467890555878
Energy: 1.1132162089886428
Energy: 0.9918742763950122
Energy: 1.093637942897781
Energy: 1.1118983386060493
Energy: 1.1080571223754634
Energy: 1.265404374385666
Energy: 1.0928505346220843
Energy: 1.1455349079393342
Energy: 1.1117340896311594
Energy: 1.1076186116759053
Energy: 1.2649750169010756
Energy: 1.0956174042711915
Energy: 1.180686076237293
Energy: 0.9892406544107859
Energy: 1.1222942695890108
Energy: 1.1121769864761413
Energy: 1.083869209232051
Energy: 1.2411791659015967
Energy: 0.9887431157537728
Energy: 1.1412830661125406
Energy: 1.1120955991897368
Energy: 1.0843180740137026
Energy: 1.0069210303201102
Energy: 1.1722430909705113
Energy: 0.9895586560466724
Energy: 1.1371835268769699
Energy: 0.9896161259578644
Energy: 1.1770212467800079
Energy: 1.1718368703642899
Energy: 0.9884075207248598
Energy: 1.081208705909783
Energy: 1.1562618309897705
Energy: 1.0068940301471758
Energy: 1.0243805579539973
Energy: 1.0139429745915045
Energy: 1.2534562789315302
Energy: 1.359606755005876
Energy: 1.0069100368125847
Energy: 1.0243599606699723
Energy: 1.009664494708116
Energy: 1.252620041832576
Energy: 1.2771642968517187
Energy: 1.0088510603472112
Energy: 1.2603648363595457
Energy: 1.0008201711313276
Energy: 0.9932369012391082
Energy: 1.0004922373026168
Energy: 1.0022151129099137
Energy: 1.2604834026975271
Energy: 1.000897948303203
Energy: 1.0299531800053294
Energy: 1.0004300024081625
Energy: 1.0116706456219051
Energy: 1.024150886614109
Energy: 1.2047759966151799
Energy: 1.0132352672376477
Energy: 1.1374699340161651
Energy: 1.011538564017097
Energy: 0.9931864403891747
Energy: 1.2409471613947058
Energy: 1.1407237943746154
Energy: 1.137757035762148
Energy: 1.0853019091534217
Energy: 1.0093345954047754
Energy: 1.0117977887617762
Energy: 1.2055123054854218
Energy: 0.9895115261035468
Energy: 1.0833959172496397
Energy: 1.1399429040282314
Energy: 1.0000337583701004
Energy: 1.205247721751331
Energy: 1.09247362438321

minimum gb energy = 0.8785712786428758 eV
minimum distance =  2.27761776606853 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.207056464790766
Energy: 1.16144833000202
Energy: 1.2365767510359924
Energy: 1.1615889323156425
Energy: 1.1547698953207666
Energy: 1.207959004678575
Energy: 1.160923565547557
Energy: 1.2370363794745747
Energy: 1.1609767139738696
Energy: 1.1559660629048836
Energy: 1.2763986157202685
Energy: 1.1889679135710294
Energy: 1.1899569555397773
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Energy: 1.1600938438323563
Energy: 1.2770631415388405
Energy: 1.1883768296639692
Energy: 1.154797427245358
Energy: 1.1614665706372582
Energy: 1.160188654303129
Energy: 1.1607411552397677
Energy: 1.1615020504191156
Energy: 1.1871959088205393
Energy: 1.1877594554803617
Energy: 1.277227893492583
Energy: 1.1610348782615822
Energy: 1.1902634947269595
Energy: 1.1875741518500176
Energy: 1.2777787109930412
Energy: 1.2769029738291129
Energy: 1.2370745098675942
Energy: 1.208789301201157
Energy: 1.1958546274457473
Energy: 1.1613739543679564
Energy: 1.2763722021994277
Energy: 1.236618401165348
Energy: 1.2081466467270876
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Energy: 1.162831388832385
Energy: 1.1875573017720584
Energy: 1.1608871652239339
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Energy: 1.1605864968424062
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Energy: 1.2086561572485341
Energy: 1.227523688335066
Energy: 1.1886952319109747
Energy: 1.161046384003905
Energy: 1.237227764566262
Energy: 1.1603116893697571
Energy: 1.1879013419852895
Energy: 1.1561022963572094
Energy: 1.1615607616255768
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Energy: 1.160885585843076
Energy: 1.18937024831908
Energy: 1.1551766461398039
Energy: 1.2781386446939014
Energy: 1.189919535172636
Energy: 1.160162290662227
Energy: 1.1908043304111235
Energy: 1.2271207045971548
Energy: 1.2785436327078474
Energy: 1.190141268024045
Energy: 1.1598098695092611
Energy: 1.1899008293574769
Energy: 1.2266910172165424
Energy: 1.1604454083567313
Energy: 1.2768943109378343
Energy: 1.1876004575850536
Energy: 1.2080792054951421
Energy: 1.1558688067886365
Energy: 1.1609031806224004
Energy: 1.2779915169773424
Energy: 1.1872359950628932
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Energy: 1.1555425949579405
Energy: 1.188387701434244
Energy: 1.1552825527502593
Energy: 1.1612250327114089
Energy: 1.2094631909672542
Energy: 1.2765686728299714
Energy: 1.1891810842407473
Energy: 1.1609680462602616
Energy: 1.1612523965478463
Energy: 1.2089185921694667
Energy: 1.277033163972945
Energy: 1.1873619741821706
Energy: 1.186912294510009
Energy: 1.2783125608287174
Energy: 1.161242015616928
Energy: 1.16117927317413
Energy: 1.1870877090237346
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Energy: 1.2782489631389973
Energy: 1.160997009051233
Energy: 1.1618514837779708
Energy: 1.2086396431287145
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Energy: 1.1604280860373144
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Energy: 1.1598613033356768
Energy: 1.1890147410822558
Energy: 1.16062011821669
Energy: 1.1599245773395823
Energy: 1.2072952909904426
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Energy: 1.2785088311241761
Energy: 1.1616513104137285
Energy: 1.1546475062224106
Energy: 1.2083095543583338
Energy: 1.1609790351084093
Energy: 1.1879576881621425
Energy: 1.1612455543725713
Energy: 1.1556201339151306
Energy: 1.2761481139676578
Energy: 1.189172481218024
Energy: 1.189792049929627
Energy: 1.1626477827595425
Energy: 1.1600326196549884
Energy: 1.2765826053405993
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Energy: 1.154898649862473
Energy: 1.1614456859685933
Energy: 1.1601003112986472
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Energy: 1.188128000788871
Energy: 1.2774383661868822
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Energy: 1.1611505374369953
Energy: 1.1874776132688676
Energy: 1.2378158057957682
Energy: 1.2769468247872644
Energy: 1.2366299388060562
Energy: 1.2085856997248814
Energy: 1.195433529453508
Energy: 1.1612466462887103
Energy: 1.237469040034583
Energy: 1.2373182621285905
Energy: 1.2080745276035767
Energy: 1.1961405718105251
Energy: 1.1624892097488595
Energy: 1.2771153578627508
Energy: 1.160916111508111
Energy: 1.1960729503744185
Energy: 1.20830087524733
Energy: 1.2278870460735618
Energy: 1.1876809732283637
Energy: 1.1607879932390937
Energy: 1.1950999653366712
Energy: 1.2085481661300903
Energy: 1.2272863467461113
Energy: 1.1885620700790636
Energy: 1.1610237392586205
Energy: 1.237298556476034
Energy: 1.1603195954331114
Energy: 1.1880205706692064
Energy: 1.1549179744319236
Energy: 1.1612540487239669
Energy: 1.2374268630664367
Energy: 1.1608761043311657
Energy: 1.1889732841030793
Energy: 1.1547283634308234
Energy: 1.160689606680163
Energy: 1.1893643188164618
Energy: 1.1601878325027144
Energy: 1.1909642752207807
Energy: 1.230755466924745
Energy: 1.1608630502607193
Energy: 1.1883152433544448
Energy: 1.159817464516388
Energy: 1.1900247335800176
Energy: 1.2302097914923862
Energy: 1.1604178094391542
Energy: 1.2766356269264327
Energy: 1.1876183269474638
Energy: 1.2082329775290783
Energy: 1.1562307334814121
Energy: 1.1607452673060121
Energy: 1.277618651669407
Energy: 1.1870644589003423
Energy: 1.2076500268419332
Energy: 1.1556464846843366
Energy: 1.1881927076172998
Energy: 1.1552632989157454
Energy: 1.1614058613922933
Energy: 1.209734139105283
Energy: 1.2767786766464828
Energy: 1.188795378868878
Energy: 1.1609372944346703
Energy: 1.1613732229032652
Energy: 1.2091488691788472
Energy: 1.1891546231145007
Energy: 1.1873841138067058
Energy: 1.1870559341923441
Energy: 1.2780154761228506
Energy: 1.1615040226009925
Energy: 1.161050982562261
Energy: 1.1871309436172803
Energy: 1.1869028467554898
Energy: 1.2783586783195708
Energy: 1.1612349903728054
Energy: 1.1620873529638824
Energy: 1.2085279711271584
Energy: 1.159921424321962
Energy: 1.160385247360843
Energy: 1.160794483958744
Energy: 1.2232585473128421
Energy: 1.2091839784137872
Energy: 1.1598206687511563
Energy: 1.1886764386985584
Energy: 1.160957580158531
Energy: 1.2770502592811495

minimum gb energy = 1.1546475062224106 eV
minimum distance =  2.23624305475768 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.1392468308359962
Energy: 1.2339765325573728
Energy: 1.2582166767766065
Energy: 1.141834041187266
Energy: 1.1313483521487164
Energy: 1.1860015103266897
Energy: 1.1776126398493887
Energy: 1.19784624310963
Energy: 1.1501323113111932
Energy: 1.1415302350508787
Energy: 1.0886183990658969
Energy: 1.1766142210791863
Energy: 1.1706348779197064
Energy: 1.1443521388139213
Energy: 1.1449444153690094
Energy: 1.0679674262167829
Energy: 1.1408097504437085
Energy: 1.1737911808036219
Energy: 1.2129757756857271
Energy: 1.1633089873833042
Energy: 1.0890327514161477
Energy: 1.2210670692952452
Energy: 1.2148358896310878
Energy: 1.1915352483238133
Energy: 1.274018732724878
Energy: 1.050678058495739
Energy: 1.1996391444457615
Energy: 1.1732374427537187
Energy: 1.2219113496512617
Energy: 1.2600012175559112
Energy: 1.1746805519063266
Energy: 1.1239551547332944
Energy: 1.12999305019205
Energy: 1.2694546925132233
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Energy: 1.2604365187009616
Energy: 1.260793766019652
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Energy: 1.270165307242419
Energy: 1.1485399569314207
Energy: 1.3257626033019496
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Energy: 1.133180217166089
Energy: 1.1993679363663599
Energy: 1.1831453311833229
Energy: 1.3255940422381154
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Energy: 1.1350971865175155
Energy: 1.1323951614682808
Energy: 1.177017627686657
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Energy: 1.124944594897692
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Energy: 1.1515201938875004
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Energy: 1.136317942933215
Energy: 1.0900784378803
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Energy: 1.134125519925546
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Energy: 1.1520699075348846
Energy: 1.0986772510968887
Energy: 1.154588638490457
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Energy: 1.1538245178163746
Energy: 1.213352401437454
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Energy: 1.2056570221597371
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Energy: 1.1367956685946652
Energy: 1.1175945700652705
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Energy: 1.1364907703483975
Energy: 1.4327671884805873
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Energy: 1.0613425970717927
Energy: 1.1613920914891616
Energy: 1.1242727768925416
Energy: 1.3643592581508777
Energy: 1.1935779621247748
Energy: 1.1692751816304792
Energy: 1.2072505827830742
Energy: 1.2278564625945052
Energy: 1.3648442064754946
Energy: 1.1900074931737927
Energy: 1.1717370325684133
Energy: 1.1831378535399957
Energy: 1.217741910720086
Energy: 1.2341464409735454
Energy: 1.1665456135658614
Energy: 1.1487696417524393
Energy: 1.1386650403679193
Energy: 1.2201569556860823
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Energy: 1.1270881562874941
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Energy: 1.1547212786851673
Energy: 1.1902139250487136
Energy: 1.1920214429073763
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Energy: 1.3266566178776649
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Energy: 1.1851334508312412
Energy: 1.1994449958149471
Energy: 1.2304850444854216
Energy: 1.2608233651489944
Energy: 1.107152218312184
Energy: 1.1632066405722568
Energy: 1.200333107133142
Energy: 1.2388171599453197
Energy: 1.2504024299825123
Energy: 1.0756779092565774
Energy: 1.1580899982652377
Energy: 1.269547366166947
Energy: 1.2759692098471904
Energy: 1.2785731583779243
Energy: 1.2105304221719453
Energy: 1.4110422310642838
Energy: 1.2544672332506406
Energy: 1.2866524261202872
Energy: 1.2845847112631514
Energy: 1.2308205679099977
Energy: 1.2772052436179937
Energy: 1.121360814123864
Energy: 1.1717965455015218
Energy: 1.3675099785283333
Energy: 1.3340941533100417
Energy: 1.2839522374507368
Energy: 1.1182073357410134
Energy: 1.2160278089229648
Energy: 1.2155835605294298
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Energy: 1.2525852883178172
Energy: 1.1437451847613647
Energy: 1.355460217210647
Energy: 1.3512291505173422
Energy: 1.2872112103766231
Energy: 1.131584001034121
Energy: 1.1496195503983926
Energy: 1.3241988992264986
Energy: 1.360122856687322
Energy: 1.2446697612948885
Energy: 1.1313610620441295
Energy: 1.1479326060210728
Energy: 1.2603144927641368
Energy: 1.1347298692998284
Energy: 1.128685583955077
Energy: 1.1305301484365589
Energy: 1.139906616309916
Energy: 1.3493957580058553
Energy: 1.1143134654246591
Energy: 1.1247314517730556
Energy: 1.131233106926874
Energy: 1.1972883015042766
Energy: 1.227942567306741
Energy: 1.186750770993624
Energy: 1.1128772296295335
Energy: 1.1265064577578308
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Energy: 1.1390053463278869
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Energy: 1.1924727150836012
Energy: 1.1645995689270852
Energy: 1.1655923913175505
Energy: 1.159940395150992
Energy: 1.3817011701489836
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Energy: 1.1509853766792935
Energy: 1.1395491195778151
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Energy: 1.1393399248021294
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Energy: 1.1881058599424044
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Energy: 1.2026116014336803
Energy: 1.1476351549674921
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Energy: 1.170848807164933
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Energy: 1.2046214622809077
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Energy: 1.0988449286382327
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Energy: 1.092293834902938
Energy: 1.1669037219050074
Energy: 1.1821456577066474
Energy: 1.1970019124260725
Energy: 1.2858136974705612
Energy: 1.2570634215921077
Energy: 1.0626635301406233
Energy: 1.1796964929782154
Energy: 1.2842005159501397
Energy: 1.300717472816645
Energy: 1.2124486545010569
Energy: 1.0976877658245534
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Energy: 1.2769282124842924
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Energy: 1.2616468229832545
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Energy: 1.318651103574243
Energy: 1.1799333742706137
Energy: 1.3448933758015027
Energy: 1.3411884929529925
Energy: 1.187174673527051
Energy: 1.1546172108308637
Energy: 1.1633073005264571
Energy: 1.5153688429119654
Energy: 1.1475355715952664
Energy: 1.1980300497805043
Energy: 1.178127664411927
Energy: 1.2946665995809052
Energy: 1.517004530485097
Energy: 1.1121736797995911
Energy: 1.1261491921818918
Energy: 1.1335032058834282
Energy: 1.1224793103606252
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Energy: 1.1144986205890584
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Energy: 1.1392879310407542
Energy: 1.1216595891633032
Energy: 1.388561250989867
Energy: 1.1731350612677762
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Energy: 1.2381841255233064
Energy: 1.1470061318996139
Energy: 1.1334135846088695
Energy: 1.124114532210199
Energy: 1.1482716621657405
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Energy: 1.1616508285155056
Energy: 1.1454394747198113
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Energy: 1.1822587032728562
Energy: 1.228641479908987
Energy: 1.200736165120941
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Energy: 1.1454741743977186
Energy: 1.1784142791897256
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Energy: 1.205923902191865
Energy: 1.1576589157031851
Energy: 1.447106946338026
Energy: 1.2401426364610715
Energy: 1.1408261729616809
Energy: 1.1624749280959983
Energy: 1.153504033816218
Energy: 1.4498018841081033
Energy: 1.2425425032241553
Energy: 1.1503731983165257
Energy: 1.1734395511732238
Energy: 1.400594274543864
Energy: 1.087544240660739
Energy: 1.1368786765162087
Energy: 1.1724918025321507
Energy: 1.1435551767742491
Energy: 1.4436826250504993
Energy: 1.0836024452432758
Energy: 1.1351335800738143
Energy: 1.14161592058414
Energy: 1.127705030688078
Energy: 1.3643369700566663
Energy: 1.1956288530430632
Energy: 1.1498011798520693
Energy: 1.1315941424177405
Energy: 1.185084631071987
Energy: 1.364723609792
Energy: 1.190121132179185
Energy: 1.1427600272120695
Energy: 1.225321376246191
Energy: 1.197828986694096
Energy: 1.4122130146836678
Energy: 1.0924658031414258
Energy: 1.1504599397343902
Energy: 1.1268913369070181
Energy: 1.1955807923999682
Energy: 1.431746076958792
Energy: 1.1838606939815453
Energy: 1.1673896366051981
Energy: 1.15168276910957
Energy: 1.2131066456175905
Energy: 1.1893865875982477
Energy: 1.1987484378993523
Energy: 1.0920605817295095
Energy: 1.1530647976057495
Energy: 1.1792653453190995
Energy: 1.1833217774085656
Energy: 1.2173825977254553
Energy: 1.3074788111423974
Energy: 1.153880799660158
Energy: 1.2031071132562685
Energy: 1.220642933778419
Energy: 1.1862668137021322
Energy: 1.2311960590645405
Energy: 1.051429102064293
Energy: 1.1991486388459867
Energy: 1.202420510033691
Energy: 1.2342874352769106
Energy: 1.2395381685070852
Energy: 1.185870680792103
Energy: 1.2034485322091037
Energy: 1.2439921846795359
Energy: 1.2821336994241892
Energy: 1.2792043188180728
Energy: 1.0886549640135752
Energy: 1.344853420610259
Energy: 1.2737263424806555
Energy: 1.2799856752228334
Energy: 1.2722407440931907
Energy: 1.091901136841331
Energy: 1.1920118547417882
Energy: 1.1322139675429
Energy: 1.133049457418052
Energy: 1.3584184950751264
Energy: 1.3443609362514481
Energy: 1.2434177346157096
Energy: 1.1265766902269596
Energy: 1.130905517188663
Energy: 1.3042148583334792
Energy: 1.3230635298912685
Energy: 1.2449576229585089
Energy: 1.1331726656683825
Energy: 1.3261078203216827
Energy: 1.3815335342862705
Energy: 1.251766032952723
Energy: 1.113999092562339
Energy: 1.1382356240811589
Energy: 1.3249136170689784
Energy: 1.324525855454335
Energy: 1.2379524448333914
Energy: 1.1430551476839361
Energy: 1.1429588897748448
Energy: 1.2610067062563666
Energy: 1.1607679776229194
Energy: 1.1201049437840862
Energy: 1.126441067672212
Energy: 1.1330562636271257
Energy: 1.2395861475339842
Energy: 1.1423975435079745
Energy: 1.1233257487598527
Energy: 1.1354627628361436
Energy: 1.1674782901675869
Energy: 1.2150487495051308
Energy: 1.1719092072576804
Energy: 1.1196969933867063
Energy: 1.0878130245935542
Energy: 1.162188612703724
Energy: 1.232278571341427
Energy: 1.1848639221295107
Energy: 1.1260504688597284
Energy: 1.120154862438406
Energy: 1.1460055375169684
Energy: 1.237607380097562
Energy: 1.2035063035468185
Energy: 1.119843716448302
Energy: 1.1822976477435472
Energy: 1.1524670455069488
Energy: 1.2375958799412288
Energy: 1.129086358771967
Energy: 1.2497784545687909
Energy: 1.1702409524862643
Energy: 1.1497054516386331
Energy: 1.1378257473455253
Energy: 1.1779979960735785
Energy: 1.4174738445987571
Energy: 1.2248125340070246
Energy: 1.155790460686512
Energy: 1.1360861752349676
Energy: 1.1628009897446778
Energy: 1.419817915168314
Energy: 1.212094543867897
Energy: 1.1256359009934842
Energy: 1.1398843296230083
Energy: 1.1564612019701266
Energy: 1.430380044306402
Energy: 1.1403100132514246
Energy: 1.11268215812009
Energy: 1.1603889392139495
Energy: 1.1325395029756342
Energy: 1.1319921124417904
Energy: 1.1270895266278957
Energy: 1.10667981467876
Energy: 1.25279304546566
Energy: 1.2832889210493654
Energy: 1.2726387857847958
Energy: 1.1522483848374758
Energy: 1.0683637784323052
Energy: 1.2675061578786528
Energy: 1.2865730094781131
Energy: 1.1925381338553895
Energy: 1.164048218355719
Energy: 1.2521557088821154
Energy: 1.267154485624679
Energy: 1.189666523620376
Energy: 1.1689033260025803
Energy: 1.1603909379211605
Energy: 1.18193556381224
Energy: 1.1904989192325306
Energy: 1.4423836460134192
Energy: 1.2056870126490133
Energy: 1.1433741632267391

minimum gb energy = 1.050678058495739 eV
minimum distance =  2.23156853725883 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.6044157297801205
Energy: 1.1664585469732838
Energy: 1.062104779327135
Energy: 1.120088624967818
Energy: 1.0181978319081666
Energy: 1.6036146033894567
Energy: 1.1149688823240447
Energy: 1.060285833129682
Energy: 1.1044962501394529
Energy: 0.9885620120940842
Energy: 1.1138537034315827
Energy: 1.0947166120270786
Energy: 1.193163503311728
Energy: 1.1873974124785456
Energy: 1.2202999195854136
Energy: 1.0487601398149144
Energy: 1.1020783806593264
Energy: 1.1936524859058535
Energy: 1.2357297222682282
Energy: 1.2070216096894402
Energy: 1.0623779936026396
Energy: 1.0710048244359565
Energy: 1.1127622758348559
Energy: 1.04705116921341
Energy: 1.1326883712024853
Energy: 1.0623199316485428
Energy: 1.1307960948967364
Energy: 1.2433871502382563
Energy: 1.0462845097373668
Energy: 1.130817714487096
Energy: 1.0444939527378763
Energy: 1.0283030896007834
Energy: 1.1424726577863746
Energy: 0.97572133589483
Energy: 1.1223562789874846
Energy: 1.004799556201291
Energy: 1.0035892794769719
Energy: 0.9754561696727861
Energy: 0.97693126950851
Energy: 1.1225633208450991
Energy: 0.9947177215912099
Energy: 1.130136361322195
Energy: 1.1748581543375596
Energy: 1.0576788472678587
Energy: 0.9520265024849816
Energy: 0.9910182159781817
Energy: 1.1308178953546324
Energy: 1.0224407157028332
Energy: 1.0589823830976393
Energy: 0.9512981360558834
Energy: 1.0612556252900045
Energy: 1.0023725543509965
Energy: 1.0553514673745563
Energy: 0.9902051447715703
Energy: 1.2919888359023646
Energy: 1.0960723111321204
Energy: 1.0318661731070624
Energy: 1.0559866332906143
Energy: 0.991080174613973
Energy: 1.605474236743438
Energy: 1.0709096707871393
Energy: 1.0615117759834403
Energy: 1.1018892005318435
Energy: 1.0884656693823227
Energy: 1.0126418743526995
Energy: 1.0681303001402414
Energy: 1.1054631355424616
Energy: 1.102538230937125
Energy: 1.0888265785441615
Energy: 1.013414837286264
Energy: 1.1756887900114599
Energy: 1.0442603164882112
Energy: 1.0329614525468018
Energy: 1.2428201071115628
Energy: 1.1941813618235786
Energy: 1.1268468253009456
Energy: 1.0437785238323505
Energy: 1.0329308863639024
Energy: 1.2454405409352571
Energy: 1.1942095886394448
Energy: 1.002474067730191
Energy: 1.188806654196183
Energy: 1.006661293635803
Energy: 1.3047826335448056
Energy: 1.0189961696597774
Energy: 1.00240943364733
Energy: 1.187462373157998
Energy: 1.0073985807188384
Energy: 1.2435592963535969
Energy: 1.0032529768069263
Energy: 1.047106233215198
Energy: 1.1901382288421658
Energy: 1.009978753369595
Energy: 1.2563137754474167
Energy: 0.9817595649222063
Energy: 1.1448074826923458
Energy: 1.1857560753000098
Energy: 1.0100552567086567
Energy: 1.2546294847976043
Energy: 1.1368782374390018
Energy: 1.0111900018115303
Energy: 1.0185337864324697
Energy: 1.0374044197367114
Energy: 1.2613545994383288
Energy: 1.0286540637959811
Energy: 1.0114266153427394
Energy: 1.0177127568690458
Energy: 1.0358667241947712
Energy: 1.2638527274898186
Energy: 1.0256577352549376
Energy: 1.0253637792205388
Energy: 1.0213487487301014
Energy: 1.025491626296272
Energy: 1.041914446243956
Energy: 1.024323608896294
Energy: 1.024929379612916
Energy: 1.0194534726999118
Energy: 1.0918532003368993
Energy: 0.9836028936533979
Energy: 1.0229112298985683
Energy: 1.018382556720469
Energy: 1.0051221781997135
Energy: 1.239820769314282
Energy: 1.2355793398282815
Energy: 1.03533918296697
Energy: 1.0176362449618437
Energy: 1.004381862374496
Energy: 1.2380885110467816
Energy: 1.2360070340866691
Energy: 1.0345304163922415
Energy: 1.099540302240236
Energy: 1.1595326195177282
Energy: 1.1407406019131765
Energy: 1.0430637068663657
Energy: 1.0226934548185267
Energy: 1.1015357613598933
Energy: 1.1572461457412377
Energy: 1.1842019434582698
Energy: 1.0198324620762955
Energy: 1.0634604404019017

minimum gb energy = 0.9512981360558834 eV
minimum distance =  2.26474499865089 Angstroms
sigma value = 33