Model name: model_name=MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_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=3.567322999238968
cohesive_energy=4.225801906650114
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=[0.0, 3.1107861525744e-19, 3.7156078319094e-19, 4.17195580257162e-19, 4.55479590926592e-19, 4.8827134009467e-19, 5.16706770994902e-19, 5.4154371317517e-19, 5.63323702337766e-19, 5.8244728264119e-19, 5.9922207199917e-19, 6.138932034367079e-19, 6.2665934685642e-19, 6.376839242749739e-19, 6.471047228828939e-19, 6.550387015744619e-19, 6.61588399654254e-19, 6.668387324838719e-19, 6.70866604541748e-19, 6.737425115997779e-19, 6.7552573419342e-19, 6.7627074632823e-19, 6.762723485048639e-19, 6.769949301667979e-19, 6.75839760813684e-19, 6.725937509532e-19, 6.6767667086345385e-19, 6.610212291258179e-19, 6.523101947667599e-19, 6.41162249747388e-19, 6.27111160667208e-19, 6.09594563527686e-19, 5.879203180229339e-19, 5.61237668360298e-19, 5.284939844912399e-19, 4.8836747069271e-19, 4.39203078501786e-19, 3.78887536938222e-19, 3.04714769667192e-19, 2.1316799897706597e-19, 9.96319948559436e-20, -4.2045600970735195e-20, -2.2017271522091395e-19, -4.46191772979294e-19, -7.361280653744699e-19, -1.1129696227510739e-18, -1.6105079524967998e-18, -2.27999348078004e-18, -3.20180580715194e-18, -4.50773998152534e-18, -6.42517691179752e-18, -9.373085787759479e-18, -1.419188836277592e-17, -2.2771896716705398e-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: 0.018936181641297022
Energy: -0.00411490606378909
Energy: 0.10174811940343124
Energy: 0.09010132858188526
Energy: -0.006560472984146639
Energy: 0.013919688179224258
Energy: 0.09738983649374974
Energy: 0.09147129284998626
Energy: 0.09968280964735876
Energy: 0.011653409637135072
Energy: -0.011875148853026698
Energy: 0.12003790965119734
Energy: 0.09460831265837877
Energy: 0.12670787588397497
Energy: 0.10828271327873476
Energy: 0.09729624745602564
Energy: 0.12027948452297925
Energy: 0.09675026138636128
Energy: 1.2175382686759517
Energy: 0.1188602703717261
Energy: 0.10304298692676499
Energy: -0.02969034038625124
Energy: -0.011588770183539723
Energy: 0.11202938248405678
Energy: 0.09388618749709267
Energy: 0.10181904034529914
Energy: 0.012139594320760888
Energy: 0.019058647763859404
Energy: 0.10992948425879488
Energy: 0.09606882021651056
Energy: 0.10626168886612417
Energy: 0.04651637100372349
Energy: -0.0713900990058134
Energy: 0.11516760763753013
Energy: 0.08885559285464907
Energy: 0.10851174273201215
Energy: 0.12489698233978877
Energy: -0.035034451687757116
Energy: 0.13013818672314845
Energy: 0.0999203360395811
Energy: 0.10806713018031111
Energy: 0.08958374261951443
Energy: 0.12117790610216622
Energy: -0.004491164176608747
Energy: 0.055393447960447005
Energy: 0.11007899478648137
Energy: 0.09759382661236891
Energy: 0.1090384033944963
Energy: -0.04587235299834869
Energy: 0.12755012345114525
Energy: 0.10453691900854828
Energy: 1.1771751211409425
Energy: 0.10986787392115614
Energy: 0.03064641099485716
Energy: -0.02080879639352864
Energy: 0.10921345560054306
Energy: 1.1682569628984192
Energy: 0.11651536474647821
Energy: 0.021665760480714575
Energy: 0.017740638989237053
Energy: -0.02089572673608618
Energy: 0.12883414180949165
Energy: 0.10770392017097673
Energy: 0.09592859892855408
Energy: 0.12048377738853622
Energy: -0.009898275939402505
Energy: 0.13087927723191783
Energy: 0.11034029694753704
Energy: 0.09740282468497528
Energy: 0.12064377638058658

minimum gb energy = -0.0713900990058134 eV
minimum distance =  2.45375918623802 Angstroms
sigma value = 3


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

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Energy: 0.46636251123018657
Energy: 0.5491622254850502
Energy: 0.34073162659274064
Energy: 0.36929589887031716
Energy: 0.7181861641297576
Energy: 0.31500370635438335
Energy: 0.29322384986123473
Energy: 0.5938276526077924
Energy: 0.4602520930546606
Energy: 0.50114361105822
Energy: 0.8518150971858829
Energy: 0.3170530275014304
Energy: 0.3135767103082422
Energy: 0.3373596193119905
Energy: 0.5104996542140949
Energy: 0.9098643843095721
Energy: 1.0190369986830277
Energy: 0.5270095571455264
Energy: 0.6580826603638023
Energy: 0.2316834175192914
Energy: 0.43385371625391894
Energy: 0.6462117523216342
Energy: 0.3822626433153985
Energy: 0.21899702727445855
Energy: 0.22878180459514735
Energy: 0.43554026251951095
Energy: 0.637230028735664
Energy: 0.3986612931235478
Energy: 0.6801255984553495
Energy: 0.2277936250474648
Energy: 0.7990506764327734
Energy: 0.7707017849716229
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Energy: 0.475243989918303
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Energy: 0.2882661871230234
Energy: 0.659416389079018
Energy: 0.6950307592548618
Energy: 0.9211104771891708
Energy: 0.6768274286903523
Energy: 0.9795552189450522
Energy: 0.8255556462268885
Energy: 0.7584186577994361
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Energy: 0.5033993715237522
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Energy: 0.49222253694670065
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Energy: 0.9210128595995482
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Energy: 0.5033783992037477
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Energy: 0.9105412294438754
Energy: 0.8975708040595971
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Energy: 0.43490297148891444
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Energy: 0.9454395310017525
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Energy: 0.4990424096666816
Energy: 1.0224026796131667
Energy: 0.8470101730448669
Energy: 0.6971698701433495
Energy: 1.2255608217910285
Energy: 0.5737866083863777
Energy: 0.6275394978457114
Energy: 0.6124701120386755
Energy: 0.3641341740189433
Energy: 0.7116591684968118
Energy: 0.6197695808018922
Energy: 0.6440677280310908
Energy: 0.6015452069625
Energy: 0.34477234659470557
Energy: 0.20492057597076022
Energy: 0.8489178843848265
Energy: 0.7030177773761591
Energy: 1.0075089544765627
Energy: 0.47540739443240243
Energy: 0.2250654783527998
Energy: 0.8663953836710393
Energy: 1.114507679773267
Energy: 0.7383346428305487
Energy: 0.5351926804914487
Energy: 0.5893358361238005
Energy: 0.7544218573226915
Energy: 0.6361285255758272
Energy: 0.5287817051345699
Energy: 0.48022720832919114
Energy: 0.595574528587454
Energy: 0.6499928809369676
Energy: 0.6454469283784798
Energy: 0.5554380559297565
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Energy: 0.7404616477334772
Energy: 0.5703964703905595
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Energy: 1.1434577965668877
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Energy: 0.8363463490446881
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Energy: 0.6705709789343459
Energy: 1.1285491317483738
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Energy: 0.7988887154653669
Energy: 0.9251954962850368
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Energy: 0.5639310129545269
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Energy: 0.3826942625237972
Energy: 0.5263984143516209
Energy: 0.8831919315176905
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Energy: 0.8725724134803556
Energy: 0.4142673532251315
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Energy: 0.8765086888489743
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Energy: 0.7507693104679023
Energy: 0.7901192853746287
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Energy: 0.4700068976286959
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Energy: 0.7241598961731234
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Energy: 0.9211370847229211
Energy: 0.4685485600383275
Energy: 0.21145842765199382
Energy: 0.8206295629314111
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Energy: 0.9259217167666615
Energy: 0.6359514175608253
Energy: 0.3093156944502553
Energy: 0.8969892790562186
Energy: 0.4447621607936578
Energy: 0.5918871636093093
Energy: 0.6039424137258964
Energy: 0.4127069236489242
Energy: 0.49128152463275143
Energy: 0.7778092977998142
Energy: 0.47730642888222136
Energy: 0.49625207844694674
Energy: 0.3931889720398056
Energy: 0.9429892309170501
Energy: 0.46977507598145246
Energy: 0.6589933800325473
Energy: 0.42782467323349954
Energy: 0.569821816669085
Energy: 0.5282114289809665
Energy: 0.40823424543361025
Energy: 0.4738240175564422
Energy: 0.4199981117144582
Energy: 0.4285336185548901
Energy: 0.5835556881202143
Energy: 0.5160363606095435
Energy: 0.5167840227429096
Energy: 0.48695813777272945
Energy: 0.5420982237562633
Energy: 1.0481007682041201
Energy: 0.5635367241117857
Energy: 0.9116435279614549
Energy: 0.6806163852521068
Energy: 0.6561947067078321
Energy: 0.937913603524797
Energy: 0.5684537815358697
Energy: 0.4734770443881799
Energy: 0.3829447892779212
Energy: 0.6054958657604953
Energy: 0.49121492447635345
Energy: 0.5183356161865469
Energy: 0.5568104345253149
Energy: 0.8587739024057958
Energy: 0.30456531444079066
Energy: 0.5048474410577578
Energy: 0.5142761279184934
Energy: 0.6467590130592303
Energy: 0.6908267054973957
Energy: 0.8619888417540152
Energy: 0.5528580498365533
Energy: 0.8442438396374502
Energy: 0.22715083258269267
Energy: 0.2344035188380178
Energy: 0.8744929665008254
Energy: 0.8670419098032103
Energy: 0.685369339291038
Energy: 0.42133448078904173
Energy: 0.4779290840799113
Energy: 0.5504875791674381
Energy: 0.33447866262548953
Energy: 0.3506688870868674
Energy: 0.17055649091965672
Energy: 0.2990499254140567
Energy: 0.5428862047709891
Energy: 0.5501134916738802
Energy: 0.44648175977105725

minimum gb energy = 0.17055649091965672 eV
minimum distance =  2.28156933339254 Angstroms
sigma value = 75


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

Energy: 2.4048759354098546
Energy: 0.9006430967258714
Energy: 0.6288343667423065
Energy: 0.700358310909863
Energy: 0.8238344667218166
Energy: 0.6104417097439178
Energy: 0.8333051371017148
Energy: 0.7038601566697134
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Energy: 0.6452983740837808
Energy: 0.551704227393637
Energy: 0.9872522785438147
Energy: 0.7167209045332049
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Energy: 0.7488484047377162
Energy: 0.8262767513076408
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Energy: 0.6924054788594325
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Energy: 0.779569440283874
Energy: 0.718497372966384
Energy: 0.7136600455391008
Energy: 0.7324966479624804
Energy: 0.9707656623472097
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Energy: 0.7905097631556035
Energy: 0.8331631192262205
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Energy: 0.6889793962666625
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Energy: 0.7012758064998682
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Energy: 0.9592019433168145
Energy: 0.991398308531196
Energy: 1.0066415845073864
Energy: 0.7429863139778934
Energy: 0.72404941481586
Energy: 1.0607840821470185
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Energy: 0.7826361994918961
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Energy: 1.00205455877897
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Energy: 0.6843657230405219
Energy: 0.9232728369626079
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Energy: 0.9933975673388397
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minimum gb energy = 0.47301600055206905 eV
minimum distance =  2.20357434308631 Angstroms
sigma value = 105


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

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Energy: 0.84184972645858
Energy: 0.7399416047522759
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Energy: 0.8893773704626066
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Energy: 0.8244736318923594
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Energy: 0.7697933675659842
Energy: 0.9634950079216938
Energy: 0.8184901990270431
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Energy: 0.6970594039482649
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Energy: 0.8893301104735206
Energy: 0.808758562442454
Energy: 0.5154908772390426
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Energy: 0.7784272897909724
Energy: 0.716032035980174
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Energy: 0.7626466265753497
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Energy: 0.6920313969639641
Energy: 0.7217578622746558
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Energy: 0.8420514033443837
Energy: 0.7565553471731329
Energy: 0.7400067395677548
Energy: 0.7296749095604012
Energy: 0.8658644361794829
Energy: 0.777332195915373
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Energy: 0.8532590128344835
Energy: 0.7545247206945024
Energy: 0.668485025453585
Energy: 0.690231835664984
Energy: 0.7335404429703429
Energy: 0.7778067836454557
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Energy: 0.7556958270190579
Energy: 0.6928336027384866
Energy: 0.7030040281055293
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Energy: 0.6424239048020728
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Energy: 0.871176612035885
Energy: 0.5747629022784859
Energy: 0.5907569356279277
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Energy: 0.7611732921149486
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Energy: 0.5802269534516631
Energy: 0.5791050190583424
Energy: 0.6741379220884622
Energy: 0.8719980106884707
Energy: 0.7569273232641618
Energy: 0.6297009733562658
Energy: 0.6036260720813742
Energy: 0.8332252173502762
Energy: 0.7830821431136448
Energy: 0.7046830435988638
Energy: 0.6313457864460585
Energy: 0.5892285376373658
Energy: 0.8643552068346526
Energy: 0.7954294660996253
Energy: 0.6201812284588746
Energy: 0.619432153719399
Energy: 0.5646269286653911
Energy: 0.8154966508306601
Energy: 0.5536928770442758
Energy: 0.6139127456484537
Energy: 0.6262175007852594
Energy: 0.581400813336885
Energy: 0.5339616592625951
Energy: 0.5627092987855112
Energy: 0.6701104479055942
Energy: 0.7262941526540834
Energy: 0.659569991454004
Energy: 0.8097432187441665
Energy: 0.562873395373266
Energy: 0.6284092705365613
Energy: 0.6340087787362728
Energy: 0.5798210204782682
Energy: 0.8226918658883844
Energy: 0.847050079702594
Energy: 0.6428478006019457
Energy: 0.8081009745637387
Energy: 0.7022506453107719
Energy: 0.6599620870516381
Energy: 0.8522919681108818
Energy: 0.6486437998173384
Energy: 0.744889259421356
Energy: 0.7705771398376584
Energy: 0.6691065136466491
Energy: 0.7314447776801777
Energy: 0.8178831820709648
Energy: 0.6975884266861737
Energy: 0.682296267582497
Energy: 0.7362932832176958
Energy: 0.7375274805563461
Energy: 0.8132447103119747
Energy: 0.7065836445042342
Energy: 0.6947425236349761
Energy: 0.6996952930927457
Energy: 0.8124344249398032
Energy: 0.8717305243820636
Energy: 0.6782389261166557
Energy: 0.7467075044749537
Energy: 0.7168023081196214
Energy: 0.8548444643882284
Energy: 0.8272281687031197
Energy: 0.5421346381802302
Energy: 0.7422272904357926
Energy: 0.7452675888015592
Energy: 0.6854319015418467
Energy: 0.5076259916431142
Energy: 0.5509399558851764
Energy: 0.5423465046388217
Energy: 0.5168231523431308
Energy: 0.4892187011828354
Energy: 0.5211186209835595
Energy: 0.5497732250289598
Energy: 0.5503672511662971
Energy: 0.5436618138188991

minimum gb energy = 0.2553263290646809 eV
minimum distance =  2.28044053023464 Angstroms
sigma value = 165


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

Energy: 1.401509379126798
Energy: 0.7950620594686392
Energy: 0.7669382417059968
Energy: 0.6574851001311722
Energy: 0.7420576284715977
Energy: 0.61963775884009
Energy: 0.6565818184802413
Energy: 0.7992075935234292
Energy: 0.7617964895184197
Energy: 0.7775949818818374
Energy: 0.7886339863788244
Energy: 0.8955379812987317
Energy: 0.8441411576285878
Energy: 0.8289820942836315
Energy: 0.7665361757388403
Energy: 0.9181022595068798
Energy: 0.8200700593175815
Energy: 0.8454265587979264
Energy: 0.8812662837140451
Energy: 0.9690672013385144
Energy: 0.8692596067129106
Energy: 0.8039433745166288
Energy: 0.7447951028833629
Energy: 0.8659218792201158
Energy: 0.9357581794902168
Energy: 0.8443991458005635
Energy: 0.8108450689437705
Energy: 0.8486188541517182
Energy: 0.8853040553636405
Energy: 0.9663806560483912
Energy: 0.8049604253055984
Energy: 0.875300688228766
Energy: 0.886235562290467
Energy: 0.7980674565052657
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Energy: 0.8516404080464687
Energy: 0.7818046955180016
Energy: 0.8876745489379197
Energy: 0.9193801477553682
Energy: 0.9080008980266117
Energy: 1.22171493507977
Energy: 0.8806613536804873
Energy: 0.8988360479868635
Energy: 0.6447582384002748
Energy: 0.8544742162596032
Energy: 0.7292135307789783
Energy: 0.8906491930824875
Energy: 0.9215696784393941
Energy: 0.7986393294926813
Energy: 0.7386407547854884
Energy: 0.8066190998057817
Energy: 0.8035090001850377
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Energy: 0.7998106050866493
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Energy: 0.760875465090567
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Energy: 0.8428911233974017
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Energy: 0.9487933461746096
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Energy: 0.9856167370169584
Energy: 0.8421623117860408
Energy: 0.8450437485266779
Energy: 0.7696757152873761
Energy: 0.7081683398972686
Energy: 0.8996450942051598
Energy: 0.8795460181150087
Energy: 0.9028720036401044
Energy: 0.8287142943040786
Energy: 0.7165578748397708
Energy: 0.6479219111263574
Energy: 0.8585156086506254
Energy: 0.903419088605311
Energy: 0.8060509964822896
Energy: 0.8575465946823514
Energy: 0.87253861875198
Energy: 0.9258929901618428
Energy: 0.9133516900109311
Energy: 0.9148018934848763
Energy: 0.7556500090677317
Energy: 0.8763434123565239
Energy: 0.8719852996529349
Energy: 0.8772936244926735
Energy: 0.8646175657469655
Energy: 0.754640049909346
Energy: 0.8027642762608026
Energy: 0.8937181335419763
Energy: 0.7797574209348535
Energy: 0.8042344425014888
Energy: 0.8565808757585678
Energy: 0.7886711376512218
Energy: 0.8561292725308192
Energy: 0.7903095219267574
Energy: 0.9080188301060368
Energy: 0.858645144855153
Energy: 0.9064284358278127
Energy: 0.9066447460476043
Energy: 0.8750256933801013
Energy: 0.8063175518192276
Energy: 0.8613245444382845
Energy: 0.911933755850294
Energy: 0.8846133414819101
Energy: 0.8677764578032381
Energy: 0.8897685048702075
Energy: 0.7874709266183012
Energy: 1.1976330295019393
Energy: 0.8477196753545482
Energy: 0.7708110837639991
Energy: 0.8196280802927218
Energy: 0.7868772688730571
Energy: 0.7974941435646304
Energy: 0.8063061428754279
Energy: 0.8892855327384142
Energy: 0.8407506570351713
Energy: 0.8793287596983154
Energy: 0.8246163590110195
Energy: 0.889864862745335
Energy: 0.7989479235949508
Energy: 0.8109230771368118
Energy: 0.7592890656362248
Energy: 0.8627078490074866
Energy: 0.8007537449075424
Energy: 0.7942587265038252
Energy: 0.8444413942622967
Energy: 0.776443518570978
Energy: 0.9949147544021935
Energy: 0.8371286928550233
Energy: 0.800214184512764
Energy: 0.8522397447230772
Energy: 0.733217954119494
Energy: 0.8557510019399293
Energy: 0.7609508278845762
Energy: 0.6637404797179799
Energy: 0.9103661619706538

minimum gb energy = 0.61963775884009 eV
minimum distance =  2.2465997420831 Angstroms
sigma value = 41


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

Energy: 0.898882390290129
Energy: 0.5856601515827884
Energy: 0.583238110068718
Energy: 0.5124535449921405
Energy: 0.5383206039730383
Energy: 0.5182364889100962
Energy: 0.546619865861117
Energy: 0.5854884295972941
Energy: 0.5906835638964453
Energy: 0.5689022659888915
Energy: 0.5921628530691893
Energy: 0.6995615731711682
Energy: 0.6636124134901418
Energy: 0.6570152422699255
Energy: 0.5907044513016406
Energy: 0.6035846013102926
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Energy: 0.6780652641041707
Energy: 0.7034204497377983
Energy: 0.7121505412367289
Energy: 0.6717916971194507
Energy: 0.7079533395270441
Energy: 0.7335455309463108
Energy: 0.65185478841134
Energy: 0.6036061219453914
Energy: 0.568540858710238
Energy: 0.6055686091714353
Energy: 0.6662829665511716
Energy: 0.7144560017462951
Energy: 0.6115992733825204
Energy: 0.5742687450943026
Energy: 0.6484407220139984
Energy: 0.6990976588906931
Energy: 0.6262268292122712
Energy: 1.0712824701688817
Energy: 0.5539076309039029
Energy: 0.6722434130216124
Energy: 0.5822443876969456
Energy: 0.6432340586743864
Energy: 0.815462620999292
Energy: 0.7228468002246213
Energy: 0.6866984921661918
Energy: 0.693164056097865
Energy: 0.6722592610259208
Energy: 0.5151064929960986
Energy: 0.6462278180681884
Energy: 0.5564188591745989
Energy: 0.7036722820033094
Energy: 0.7233797540911043
Energy: 0.6323284404859014
Energy: 0.6783862685499724
Energy: 0.7462550207470176
Energy: 0.6509073410582682
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Energy: 0.6705159907642516
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Energy: 0.6613699062768138
Energy: 0.6113528963953883
Energy: 0.7507251266271473
Energy: 0.6891909397754002
Energy: 0.7067163865055281
Energy: 0.6921824806533466
Energy: 0.6428799296162285
Energy: 0.6656716560584813
Energy: 0.6686069997128525
Energy: 0.6432836246834105
Energy: 0.6945490675062411
Energy: 1.0011243139129453
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Energy: 0.6459543924507005
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Energy: 0.6335477074776544
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Energy: 0.6635461082468515
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Energy: 0.6771527165441158
Energy: 0.561994446633092
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Energy: 0.535565742714157
Energy: 0.5593138232099154
Energy: 0.693978638507369
Energy: 0.7365365189234545
Energy: 0.5783085574302584
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Energy: 0.6753052867461552
Energy: 0.6279788395121737
Energy: 0.6046661712860003
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Energy: 0.6311690386408392
Energy: 0.7606230259866549
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Energy: 0.5741223327289842
Energy: 0.5580377785787858
Energy: 0.4490529274197503
Energy: 0.5386506572298894
Energy: 0.6492505677381119
Energy: 0.5873144147108362
Energy: 0.630459743125458
Energy: 0.4975106834766
Energy: 0.5305561179635838
Energy: 0.6503917758118303
Energy: 0.6283686802101286
Energy: 0.6591568331930869
Energy: 0.6419690414847716
Energy: 0.5357942660819196
Energy: 0.6617608448776207
Energy: 0.6716976471591829
Energy: 0.69476687529926
Energy: 0.6403873053848033
Energy: 0.7628996706904552
Energy: 0.6015440546265526
Energy: 0.640293420505124
Energy: 0.7188583915555167
Energy: 0.7187345480692242
Energy: 0.7839747459156768
Energy: 0.6595344219164969
Energy: 0.631419523381897
Energy: 0.6644773553677311
Energy: 0.6619960815438454
Energy: 0.6583104309269084
Energy: 0.6963256206493755
Energy: 0.55259799836801
Energy: 0.628745155964654
Energy: 0.6450137764654084
Energy: 0.6156819618534066
Energy: 0.6396981676489786
Energy: 0.6018411340772332
Energy: 0.6246561185991009
Energy: 0.5964891148866824
Energy: 0.7211676321040756
Energy: 0.70138493753027
Energy: 0.7842833418138843
Energy: 0.641263607917836
Energy: 0.6682188712535257
Energy: 0.6965234215915659
Energy: 0.7170786273753886
Energy: 0.7601538527396527
Energy: 0.7015195942955024
Energy: 0.8803849439219661
Energy: 0.7077676283661682
Energy: 0.616696447714308
Energy: 0.6182420433922192
Energy: 0.7112573404874617
Energy: 0.8468014835147498
Energy: 0.6437472074088854
Energy: 0.6016903482310707
Energy: 0.6323754362654961
Energy: 0.6597484883926785
Energy: 0.8865177240328669
Energy: 0.7340712911997693
Energy: 0.6405828297591702
Energy: 0.5691887567523066
Energy: 0.6327384754297791
Energy: 0.7409260753736241
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Energy: 0.7433114162190738
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Energy: 0.7379735410073112
Energy: 0.738409967618105
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Energy: 0.6068797582870986
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Energy: 0.7939777378162441
Energy: 0.7144180726897923
Energy: 0.7299995383822199
Energy: 0.6432904883936249
Energy: 0.6756268714531743
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Energy: 0.6357026136373797
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Energy: 0.5905090573216575
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Energy: 0.687080692572913
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Energy: 0.6575099666241255
Energy: 0.7225583319367251
Energy: 0.6353857848455614
Energy: 0.5993180282370552
Energy: 0.5469324879929475
Energy: 0.6255343974054985
Energy: 0.6715313242668363
Energy: 0.6568341841195136
Energy: 0.6348852139390874
Energy: 0.6720990783473569
Energy: 0.5508382794090898
Energy: 0.6591250923904028
Energy: 0.4778449801099797
Energy: 0.5989401501665712
Energy: 0.6129636793484288
Energy: 1.078313278389993
Energy: 0.5547268130860569
Energy: 0.6085467689714054
Energy: 0.5987511188241882
Energy: 0.6099907253571054
Energy: 0.538546557084614
Energy: 0.5599884481274884
Energy: 0.46589135656219965
Energy: 0.5896089764424561
Energy: 0.5906911393735291
Energy: 0.5183405732684325
Energy: 0.6530204115201923
Energy: 0.6367752543116655
Energy: 0.5665530948167418
Energy: 0.6553348252271531
Energy: 0.832511789806132
Energy: 0.6371819179347616
Energy: 0.5577173479465681
Energy: 0.49148534524744786
Energy: 0.6053002842726944
Energy: 0.5822031650971353
Energy: 0.6551804145891841
Energy: 0.5747403243256447
Energy: 0.647831498295637
Energy: 0.5795638613463481
Energy: 0.6924148191820403
Energy: 0.588463364197746
Energy: 0.6181370443368994
Energy: 0.5161594266437678
Energy: 0.5414217845210268
Energy: 0.5343650659175279
Energy: 0.600920325963389
Energy: 0.6164836333515465
Energy: 0.5674792071363172

minimum gb energy = 0.4490529274197503 eV
minimum distance =  2.285823329345 Angstroms
sigma value = 185


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

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Energy: 0.31120611446857466
Energy: 0.283480436221038
Energy: 0.3074648250731057
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Energy: 0.15572501515617118
Energy: 0.34985851208122537
Energy: 0.512575889134233
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Energy: 0.3137580631750857
Energy: 0.5440430337702721
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Energy: 0.542548507329541
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Energy: 0.4023486577071595
Energy: 0.33105351459214344
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Energy: 0.2881439488926125
Energy: 0.4679204082178706
Energy: 0.5396092579338723
Energy: 0.3660983734635738
Energy: 0.3832827411722821
Energy: 0.17190621634787812
Energy: 0.40299800665298835
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Energy: 0.3734410328260771
Energy: 0.4414899768196949
Energy: 0.4229357645141684
Energy: 0.4239619642527308
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Energy: 0.22673966764372308
Energy: 0.3810031153287651
Energy: 0.397441121108185
Energy: 0.33634635844645877
Energy: 0.3572008878829286
Energy: 0.22833295984078245
Energy: 0.3362470539570062
Energy: 0.4181924247347219
Energy: 0.3488563732133614
Energy: 0.21423963936295007
Energy: 0.404387585165424
Energy: 0.2696687079062932
Energy: 0.33316148496823367
Energy: 0.36473640540674174
Energy: 0.2122294025027222
Energy: 0.39977273028154114
Energy: 0.4419840550011831
Energy: 0.39482134119944545
Energy: 0.34924561783224845
Energy: 0.2881711015386957
Energy: 0.4442325867300229
Energy: 0.34533021536218744
Energy: 0.3558226356445762
Energy: 0.3171687380597624
Energy: 0.20629462426021236
Energy: 0.28872642043350377
Energy: 0.400419828156451
Energy: 0.3134715593207435
Energy: 0.26325849765037257
Energy: 0.3297742569592947
Energy: 0.34737564599655296
Energy: 0.36621725693259627
Energy: 0.34082277166310393
Energy: 0.3497040393230081
Energy: 0.17278118418616079
Energy: 0.323338477881733
Energy: 0.30113059475022835
Energy: 0.3787011637321629
Energy: 0.33192216275561515

minimum gb energy = 0.13875548515536298 eV
minimum distance =  2.3480160917269 Angstroms
sigma value = 33


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

Energy: 0.529785530138554
Energy: 0.4506499145638497
Energy: 0.4748947324044853
Energy: 0.4832972288200564
Energy: 0.4040113574946071
Energy: 0.3075277102575999
Energy: 0.4578398425336595
Energy: 0.4511387603615098
Energy: 0.4943770112851081
Energy: 0.41043141457007215
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Energy: 0.4582210199734898
Energy: 0.5237338536462406
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Energy: 0.5894971802229358
Energy: 0.45628774622005425
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Energy: 0.47531316076837105
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Energy: 0.4503244618957844
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Energy: 0.5265773657792461
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Energy: 0.4700003429338486
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Energy: 0.4590452793377085
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Energy: 0.48123565479
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Energy: 0.5105978039813921
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Energy: 0.40698790185702766
Energy: 0.3998998158339618
Energy: 0.48480704314203965
Energy: 0.5462872306454006
Energy: 0.5041265790971837
Energy: 0.398701683273655
Energy: 0.43740646689098656
Energy: 0.49028511035169964
Energy: 0.5520155425299811
Energy: 0.4893147320217641
Energy: 0.4291157270959449
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Energy: 0.5342407851999733
Energy: 0.4536232302229615
Energy: 0.4909211009430675
Energy: 0.47699246525860783
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Energy: 0.3802824309957971
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Energy: 0.44330340664412726
Energy: 0.5709537202379006
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Energy: 0.45113146831733897
Energy: 0.5242231521778812
Energy: 0.5263833082429826
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Energy: 0.4721975967205125
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Energy: 0.4344313396481041
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Energy: 0.4598519974947914
Energy: 0.44981621470162214
Energy: 0.47651762069734027
Energy: 0.43190919528944033

minimum gb energy = 0.3075277102575999 eV
minimum distance =  2.29522782668373 Angstroms
sigma value = 219


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

Energy: 1.1197788582021315
Energy: 0.8327854349977447
Energy: 0.9699638655392622
Energy: 0.9635687207801089
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Energy: 0.8095574795516642
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Energy: 0.8524715254519267
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Energy: 0.9012526523610787
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Energy: 0.7422882536830967
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Energy: 0.8646482512755356
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Energy: 0.8562494469581391
Energy: 0.7162045894877509
Energy: 0.7160591684762453
Energy: 0.8188546042394218
Energy: 0.8637151997297277
Energy: 0.878777063811695
Energy: 0.7308972094862435
Energy: 0.7466458742878472
Energy: 0.8287746665645929
Energy: 0.7505254330310592
Energy: 0.8868162795282045
Energy: 0.8636368876851341
Energy: 0.8534639955017281
Energy: 0.8317772620232098
Energy: 0.9767757845148685
Energy: 0.8934398593615539
Energy: 0.844149511885934
Energy: 0.8667698902304747
Energy: 0.9295674842020395
Energy: 0.8868813000031739
Energy: 0.7132706077495906
Energy: 0.8518919373948093
Energy: 0.8477356929282529
Energy: 0.853656495685869
Energy: 0.8900027038577869
Energy: 0.8811172713031111
Energy: 0.7372934322844464

minimum gb energy = 0.5960073782102182 eV
minimum distance =  2.28826312393156 Angstroms
sigma value = 15


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

Energy: 0.9359645107082699
Energy: 1.0614951321763315
Energy: 1.1299183515574713
Energy: 1.0878341712631405
Energy: 1.0154922630526357
Energy: 0.8887657528001328
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Energy: 1.0316269944493366
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Energy: 0.9339907454211396
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Energy: 1.018857323813567
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Energy: 0.9894355589252414
Energy: 1.0488353620325939
Energy: 0.8870178183499196
Energy: 1.1518437547944558
Energy: 1.0423768026065174
Energy: 0.9428463995991997
Energy: 1.1069066599188835
Energy: 1.0178613852964173
Energy: 1.2094108904460383
Energy: 1.0204085305491841
Energy: 0.9831496305694549
Energy: 1.1658456796778613
Energy: 0.9729800369012194
Energy: 1.1346254566332123
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minimum gb energy = 0.8197601551504811 eV
minimum distance =  2.2922169805517 Angstroms
sigma value = 293


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

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Energy: 1.0878734708557578
Energy: 1.117194338037729
Energy: 1.127302273697064
Energy: 1.0761908044400232
Energy: 1.1042235619941887
Energy: 1.0916311944052974
Energy: 1.1156486387298812
Energy: 1.1332360701543045
Energy: 1.0492763032728065
Energy: 1.0680685772819811
Energy: 0.8934089774135123
Energy: 1.0049444961892784
Energy: 1.027367444076574
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Energy: 0.9164414506009916
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Energy: 1.045427524992633
Energy: 1.0431693534908513
Energy: 1.0373713003275091
Energy: 0.899133964853989
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Energy: 1.124836264250906
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Energy: 1.116163651557767
Energy: 1.0377045255867199
Energy: 0.894997342952885
Energy: 1.1879385235718118
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Energy: 0.9715527833443013
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Energy: 1.1335147628255513
Energy: 1.062216733155988
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Energy: 0.8924318752259438
Energy: 1.1644476450911156
Energy: 1.0232150955992156
Energy: 1.0689041713661613
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Energy: 0.9203861524244896
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Energy: 1.0985490549432366
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Energy: 1.136269306999283
Energy: 0.8978483975281965
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Energy: 0.9902645142829795
Energy: 1.0062659112904346
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Energy: 1.1619202734543383
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Energy: 1.0692992943369952
Energy: 1.1544750137490976
Energy: 1.2423927445358647
Energy: 1.0839654893033257
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Energy: 0.9869871869282963
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Energy: 1.0608867329922818
Energy: 0.9328343845185482
Energy: 0.9948856667329521
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Energy: 0.99570095921452
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Energy: 0.8992157844937584
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Energy: 1.0619161216426185
Energy: 0.9176634325771429
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Energy: 1.093770869056876
Energy: 1.1566556251877016
Energy: 1.1081535905188333
Energy: 1.0018988890014782
Energy: 1.106246415159161
Energy: 1.1311193570624336
Energy: 1.2242953298545545
Energy: 1.109639036900501
Energy: 0.9967303449074815
Energy: 1.1245089850442358
Energy: 1.1923943367163334
Energy: 1.002245512348732
Energy: 1.0117368247954013
Energy: 0.991944738987683
Energy: 1.160495491765527
Energy: 0.9366488678870135
Energy: 1.1318857340006794
Energy: 1.0338632706930573
Energy: 1.0294093507770488
Energy: 1.0469390902374158
Energy: 1.0538110492169026
Energy: 1.23519802813334
Energy: 0.968186447848306
Energy: 1.0334648133558886
Energy: 1.0649926030697041
Energy: 1.0508162957339893
Energy: 1.3310009228450852
Energy: 0.9502373439419285
Energy: 1.0974597366255663
Energy: 1.0429240434099205
Energy: 1.0123898210189264
Energy: 1.0342959032355574
Energy: 1.1604449577144245
Energy: 1.0891242371930674
Energy: 1.0537044754608544
Energy: 1.0533038956213066
Energy: 1.032967362457966
Energy: 1.167110664471944
Energy: 1.0675683616700953
Energy: 1.0197017998597646
Energy: 1.0737082223223462
Energy: 1.156146139154068
Energy: 1.1415431327505274
Energy: 0.9499328420069912
Energy: 1.001547508809141
Energy: 1.0023348900272302
Energy: 1.1379080154435985
Energy: 1.1515107130614015
Energy: 0.9151972512369966
Energy: 0.9756476076064586
Energy: 0.8412019854272835
Energy: 1.0873047022967977
Energy: 1.2273322226482162
Energy: 0.9095601339089625
Energy: 0.9637814915741983
Energy: 0.9393133027802212
Energy: 1.0165112392678364
Energy: 1.2088865659097643
Energy: 0.9072222161215302
Energy: 1.0213942691463878
Energy: 0.9405442411421602
Energy: 1.0820693123756482
Energy: 1.1522328595408966
Energy: 1.1343988148620245
Energy: 1.039182992303615
Energy: 1.0751969140825612
Energy: 1.0508900651699802
Energy: 1.1377206685485475
Energy: 1.180909730051632
Energy: 1.0276694490306146
Energy: 1.1241095765025229
Energy: 0.9759458981917943
Energy: 1.0020781519868944
Energy: 0.9959244678622934
Energy: 1.1169481353314106
Energy: 0.9529917521495266
Energy: 1.4286751634248496
Energy: 1.01165745268166
Energy: 1.0291059931538227
Energy: 1.0447089918173034
Energy: 1.0091990574215388

minimum gb energy = 0.8149477490216049 eV
minimum distance =  2.28055262489153 Angstroms
sigma value = 293


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

Energy: 1.2088536761109896
Energy: 1.1170389451071554
Energy: 1.2372166188680411
Energy: 1.0201677402833407
Energy: 1.1100207236015394
Energy: 1.0871286111842375
Energy: 1.0313799418963514
Energy: 1.085080205956138
Energy: 1.0300460853801492
Energy: 1.0928593051713111
Energy: 1.2938743631442486
Energy: 1.0298957778864386
Energy: 1.0103231298961153
Energy: 1.0204056388733689
Energy: 1.0306665641642259
Energy: 1.1259148760202917
Energy: 1.024395653956717
Energy: 1.0931049540727347
Energy: 1.0223165159207461
Energy: 1.0049486624186406
Energy: 1.0256758058881226
Energy: 1.0181310520816307
Energy: 1.00117012526372
Energy: 1.0218971114138953
Energy: 1.1190447910789973
Energy: 1.03715250531905
Energy: 1.021359809450164
Energy: 1.0272384096034453
Energy: 1.4281506305969274
Energy: 1.0824364137422942
Energy: 1.0683912171721401
Energy: 1.193241717226321
Energy: 1.1255279660183493
Energy: 1.147793007235595
Energy: 1.095030463901992
Energy: 1.0822343162318668
Energy: 1.2300606080389334
Energy: 1.0921386665800092
Energy: 1.1519433033333373
Energy: 1.1868769967474355
Energy: 1.0240244677236674
Energy: 1.1005255868786095
Energy: 1.215655375768882
Energy: 1.4585169949339902
Energy: 1.0216298261248182
Energy: 1.0448701870045363
Energy: 1.0978682592135591
Energy: 1.1633775983144297
Energy: 1.0609377218687046
Energy: 1.0241888182794046
Energy: 1.00858149503339
Energy: 1.1259272928691775
Energy: 1.033048966958707
Energy: 1.0545145180765667
Energy: 1.0909714969812792
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Energy: 1.085684398077739
Energy: 1.0262923526489653
Energy: 1.00295759285395
Energy: 1.0920675494080774
Energy: 1.2493561005862226
Energy: 1.1214524129597958
Energy: 1.0308357724677046
Energy: 1.037458566174997
Energy: 1.464982812095718
Energy: 1.0839607642049205
Energy: 1.0956691060799397
Energy: 1.0378951157411174
Energy: 1.0079253615387758
Energy: 1.0590122856756587
Energy: 1.0284712489159424
Energy: 1.1121945539709814
Energy: 1.0447078946734731
Energy: 1.1873797308765006
Energy: 1.101907816828204
Energy: 1.0304513262540438
Energy: 1.1354166470718219
Energy: 1.0208311338971694
Energy: 1.189092590016272
Energy: 1.093013578636469
Energy: 1.0189277605821854
Energy: 1.0946261664813546
Energy: 1.1494844748132529
Energy: 1.097178649122768
Energy: 1.1314377376541496
Energy: 1.0174097791892545
Energy: 1.0183960622506913
Energy: 1.0410287711645443
Energy: 1.177005118138975
Energy: 1.4230474582654031
Energy: 0.9849527051602871
Energy: 1.0428472613723736
Energy: 1.110323226669684
Energy: 1.2288597563841277
Energy: 1.0191794303183652
Energy: 1.191789134525126
Energy: 1.0295095990688805
Energy: 1.1194500641584393
Energy: 1.033546750271322
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Energy: 1.204587462259544
Energy: 1.0340556044516807
Energy: 1.0280114369747289
Energy: 0.9996687027142285
Energy: 1.1213376416111867
Energy: 1.2406396317769233
Energy: 1.0322457713689879
Energy: 1.1380261742843585
Energy: 1.0207978671784308
Energy: 1.1167319669109312
Energy: 1.1949284499693984
Energy: 1.0295421922170909
Energy: 1.1340650967295143
Energy: 1.0122755446413214
Energy: 1.1141195019701275
Energy: 1.1918804714112032
Energy: 1.0321319216814968
Energy: 1.1420740115270716
Energy: 1.0195302630624543
Energy: 1.094727601312267
Energy: 1.1333024042004713
Energy: 1.009132581488749
Energy: 1.0092470197704462
Energy: 1.0399428090781273
Energy: 1.02647557470011
Energy: 1.1304398355460066
Energy: 1.0194768537599044
Energy: 1.0934055825417612
Energy: 1.0175745618423413
Energy: 1.03713575250454
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Energy: 1.0267437253944969
Energy: 1.0226700274260512
Energy: 1.0188982569748481
Energy: 1.105026375119998
Energy: 1.0357358790986217
Energy: 1.0194910151960186
Energy: 1.0268498424271797
Energy: 1.0835247408309896
Energy: 1.0887228336426775
Energy: 1.0765269206668358
Energy: 1.2268455895048747
Energy: 1.100315404120894
Energy: 1.1463020557963701
Energy: 1.0758189325013403
Energy: 1.0777044514004845
Energy: 1.1935215790568456
Energy: 1.1023715400271987
Energy: 1.1519579451614026
Energy: 1.069175496422361
Energy: 1.0265111093290997
Energy: 1.0944454296421424
Energy: 1.2055185763631169
Energy: 1.4533782692730044
Energy: 1.0265961590658967
Energy: 1.035538871121458
Energy: 1.0912557608955993
Energy: 1.1923387837718349
Energy: 1.0216839051537205
Energy: 1.0347468516387732
Energy: 1.000329852280473
Energy: 1.1247813954106638
Energy: 1.0312960926489623
Energy: 1.00705642458157
Energy: 1.0902567616599952
Energy: 1.001757276833873
Energy: 1.237275853570398
Energy: 1.0253951450543244
Energy: 1.0394143911716456
Energy: 1.092389901168053
Energy: 1.254772809356292
Energy: 1.1268955364945568
Energy: 1.0309769488550704
Energy: 1.0376517276152426
Energy: 1.4733390733995415
Energy: 1.1511278157317097
Energy: 1.1622494902430869
Energy: 1.0307717466635657
Energy: 1.038832215817247
Energy: 1.0286062051514056
Energy: 1.0237169749132278
Energy: 1.1154389924756682
Energy: 1.0217166114322307
Energy: 1.195847085434906
Energy: 1.0952217129915691
Energy: 1.0333412689790133
Energy: 1.1071335104942608
Energy: 1.0274621188238762
Energy: 1.1876270356601728
Energy: 1.1031247524524639
Energy: 1.0077525810766543
Energy: 1.0908149503742872
Energy: 1.1492460428297195
Energy: 1.097434501951396
Energy: 1.41576011182396
Energy: 1.0228077979095713
Energy: 1.0173496832275093
Energy: 1.0389626002171355
Energy: 1.2035751641928873
Energy: 1.4286205034919144
Energy: 1.05619617735094
Energy: 1.0231430357916642
Energy: 1.1051440561765076
Energy: 1.1355162127797198
Energy: 1.0247170871536
Energy: 1.0366884710661184
Energy: 1.025199109795576
Energy: 1.1104707008905885
Energy: 1.0329059887713896
Energy: 1.0199872883940049
Energy: 1.2123514120763292
Energy: 1.0309103166655584
Energy: 1.0263551331332612
Energy: 1.0896870277369695
Energy: 1.1284937876807801
Energy: 1.201411921357995
Energy: 1.0384747291534855
Energy: 1.1187295637743417
Energy: 1.0735211351522094
Energy: 1.1220511246769123

minimum gb energy = 0.9849527051602871 eV
minimum distance =  2.32503471732258 Angstroms
sigma value = 15


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

Energy: 0.903202488549642
Energy: 1.0166051082814296
Energy: 1.156353269032483
Energy: 0.9801229735793965
Energy: 1.0013823652762008
Energy: 0.9568164019995562
Energy: 1.0619470753635352
Energy: 1.0539782616344227
Energy: 1.0321915074263674
Energy: 0.8913106746520131
Energy: 0.9950082947500895
Energy: 1.0246753005207916
Energy: 1.1133145310416228
Energy: 1.098786999487655
Energy: 1.0397086067077126
Energy: 0.9669948983801927
Energy: 1.0464851903023438
Energy: 1.1371344079163646
Energy: 1.1148412890694832
Energy: 1.0582857576204285
Energy: 1.1469397723796637
Energy: 1.0094534951036513
Energy: 1.021650737912165
Energy: 1.2019755920441526
Energy: 1.0945686349485986
Energy: 1.1489722575822119
Energy: 1.0661917115122888
Energy: 1.0297081022832135
Energy: 1.1808880642106552
Energy: 1.098747818901928
Energy: 1.0163818529792956
Energy: 0.9943006357306169
Energy: 0.9692910163772149
Energy: 1.0820034879628786
Energy: 1.081098790974938
Energy: 1.0274943015660911
Energy: 0.9559248833291847
Energy: 1.0335546762485206
Energy: 0.9849132602443093
Energy: 1.1016472069997683
Energy: 0.968295992691513
Energy: 0.9490890342255552
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Energy: 1.2304008876076897
Energy: 0.9689525619699684
Energy: 0.9241447555187154
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Energy: 1.068995800649638
Energy: 1.2304645088980584
Energy: 1.1521641195262298
Energy: 1.082693431999119
Energy: 0.9571031272460149
Energy: 0.9644346660954631
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Energy: 1.099790408411036
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Energy: 1.0712434856309136
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Energy: 0.9898194719505762
Energy: 0.9704383910855199
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Energy: 1.0026505873769342
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Energy: 0.9795107290794657
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Energy: 1.0543815779653962
Energy: 1.002627946706652
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Energy: 0.9839002033505423
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Energy: 1.0269819415979697
Energy: 1.187452045622137
Energy: 1.0156312523415736
Energy: 1.011672556603073
Energy: 1.078679724186072
Energy: 1.115365062123125
Energy: 1.06584179221812
Energy: 1.0055101295190556
Energy: 0.9709182875807745
Energy: 0.9890291596221469
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Energy: 1.3091077292658726
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Energy: 1.0122589642375
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Energy: 1.0786150784881012
Energy: 1.3133872272768716
Energy: 0.9515952228371883
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Energy: 1.0549925678157872
Energy: 1.0916519746343407
Energy: 1.3414467433955293
Energy: 0.9866856402632521
Energy: 0.9746647129432944
Energy: 1.064843467990039
Energy: 1.0108385046877926
Energy: 1.3152166487776904
Energy: 0.9961377234676306
Energy: 1.0497596737562687
Energy: 1.092923926694872
Energy: 1.0120182491158154
Energy: 1.1453877428319978
Energy: 1.1178049058774295
Energy: 0.9246929777154373
Energy: 0.900560233840568
Energy: 1.0111767348648057
Energy: 1.0746181516412794
Energy: 1.1114639899561432
Energy: 0.9320821668457975
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Energy: 1.012264104657188
Energy: 1.029839693092719
Energy: 1.013230773675144
Energy: 0.999260573459546
Energy: 1.0416846861122637
Energy: 0.9998292316275278
Energy: 1.1157535693587528
Energy: 1.02010213780368
Energy: 0.9399310307606435
Energy: 1.0641090979981596
Energy: 1.0782350417421112
Energy: 1.0999798199555793
Energy: 0.9929212330914174
Energy: 1.015987041618039
Energy: 1.114611280677151
Energy: 1.116326346561154
Energy: 1.1944078670233975
Energy: 1.0066590271581215
Energy: 1.0330455303945933
Energy: 1.1139749619543882
Energy: 1.095083679520143
Energy: 1.0878135010569565
Energy: 1.0374564813694487
Energy: 1.0713262629394489
Energy: 1.0878549530738701
Energy: 1.0141542588181314
Energy: 1.0755539446276439
Energy: 1.0799465746096635
Energy: 1.0780719024634107
Energy: 0.9427529802294148
Energy: 1.1001308009928985
Energy: 1.1617656959967975
Energy: 1.092599338431896
Energy: 0.8761180654511457
Energy: 0.9324804962587364
Energy: 1.1049840046253296
Energy: 1.1618842593562864
Energy: 1.1078207537950313
Energy: 1.407268723407779
Energy: 1.1578124335375568
Energy: 1.1725141326018902
Energy: 1.1223414361362152
Energy: 1.1552400606933393
Energy: 0.9434723751713737
Energy: 1.072070633845834
Energy: 1.1708233726236639
Energy: 1.1301972700028504
Energy: 1.1255954501066159
Energy: 0.9626176746010494
Energy: 0.9906508990450222
Energy: 1.0403989556649231
Energy: 0.986355172466105
Energy: 1.0278318545381129
Energy: 1.0163393874688926
Energy: 0.9831227295876156
Energy: 1.0286425076691816
Energy: 0.9819959725771362
Energy: 0.9819881245474845
Energy: 0.9916859432304939
Energy: 1.0092188692165307
Energy: 0.9504050189845997
Energy: 1.0101519934469427
Energy: 0.9754115373423131
Energy: 1.112082814068845
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Energy: 1.0611446236251885
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Energy: 0.970131530215096
Energy: 1.0790609597784446
Energy: 1.0321919172338068
Energy: 1.0128063533581397
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Energy: 1.022495901622384
Energy: 1.151096265393773
Energy: 1.0059418582468127
Energy: 1.0613599798024378
Energy: 1.0463354465845756
Energy: 0.9770557414227911
Energy: 1.1206862281173702
Energy: 1.021244267342012
Energy: 1.0639644925254352
Energy: 1.041459472463051
Energy: 0.9969832237247438
Energy: 1.0576252339296803
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Energy: 1.0659656499669183
Energy: 0.9854222216535405
Energy: 1.0075943742235285
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Energy: 1.076411730790423
Energy: 1.0906313291411762
Energy: 1.015390646110122
Energy: 1.0132927114133354
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Energy: 1.0310813032787238
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Energy: 1.1752636143697854
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Energy: 0.9585549654808264
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Energy: 1.0660336241290607
Energy: 0.9816685962802099
Energy: 1.1676721012541227
Energy: 0.9835102961915817
Energy: 1.0248310824894287
Energy: 1.0199389604824074
Energy: 1.0688652199964859
Energy: 1.1913447334107354
Energy: 1.0053866430034755
Energy: 1.165362333218345
Energy: 1.0350809062001558
Energy: 1.0452236616102721
Energy: 1.2108895951990464
Energy: 1.027294135846696
Energy: 1.0191553607503805
Energy: 1.0886656614337742
Energy: 1.119591685286299
Energy: 1.058919504401022
Energy: 0.994589703952459
Energy: 1.0144694087866641
Energy: 1.0332612504034957
Energy: 1.1087747446296168
Energy: 1.0657147476314137
Energy: 1.0005505687096072
Energy: 0.9852113496269547
Energy: 1.216745342762734
Energy: 1.1294892653908781
Energy: 1.0626615974683251
Energy: 0.9848450151103605
Energy: 0.903930281139606
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Energy: 1.1214498856412984
Energy: 1.2023456712928413
Energy: 0.9881926867162018
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Energy: 1.024057724656725
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Energy: 1.0052362707981548
Energy: 0.885028959799313
Energy: 0.8973625707477094
Energy: 1.050027669207292
Energy: 1.1812401426714232
Energy: 0.9854635963400252
Energy: 0.9850314008680026
Energy: 0.920348257065016
Energy: 1.0075146016520307
Energy: 1.0698771708686656
Energy: 1.0923718506366162
Energy: 0.9910884942478676
Energy: 0.9721611336039666
Energy: 1.02632436967313
Energy: 1.3104524473700032
Energy: 0.9901621570197567
Energy: 0.9973990064213475
Energy: 1.0025498852347805
Energy: 1.002696130828706
Energy: 1.2413110885389502
Energy: 1.0104799586043887
Energy: 1.048342804366045
Energy: 1.002141478297933
Energy: 1.0699192782209108
Energy: 1.0193189884633398
Energy: 0.9852448375085838
Energy: 1.0266112220095522
Energy: 1.014507634250274
Energy: 1.0303117435554658
Energy: 1.0234352284355555
Energy: 0.9884703899201999
Energy: 1.0138603102937973
Energy: 1.0533611920757688
Energy: 1.0235641302018201
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Energy: 1.009497502736773
Energy: 1.0313201642601675
Energy: 1.0227103169754999
Energy: 0.9851310547601244
Energy: 1.0360126238756353
Energy: 0.9747652321423046
Energy: 0.9518472206799681
Energy: 1.0294773989539736
Energy: 1.260128755146825
Energy: 1.0345567520955585
Energy: 0.9945739601605543
Energy: 1.0757775296291168
Energy: 1.120677127230161
Energy: 1.0524087534027795
Energy: 0.9973688629427802
Energy: 0.9890574404008254
Energy: 1.0748001124224416
Energy: 1.1459003096016322
Energy: 1.0694901702665045
Energy: 1.033695032670281
Energy: 1.0694994500866297
Energy: 0.997151911840749
Energy: 1.0057242287742028
Energy: 1.0448046767504604
Energy: 1.059654781903588
Energy: 1.2839265581400388
Energy: 1.039504810239325
Energy: 0.99562196251168
Energy: 1.0501944230270603
Energy: 1.000869124308975
Energy: 1.160626235874743
Energy: 0.9313821970381491
Energy: 1.0018459023244861
Energy: 1.0551140880329692
Energy: 0.9929321277567351
Energy: 1.1052532314513224
Energy: 0.9835123157131989
Energy: 0.9810969217740595
Energy: 1.0924520602195311
Energy: 1.0595767343734628
Energy: 1.3519659667258683
Energy: 1.0826660914809696
Energy: 0.9992582597437037
Energy: 0.9044898118810576
Energy: 1.0191574154018006
Energy: 1.3184753313391955
Energy: 1.0950896104696501
Energy: 0.9820392226184205
Energy: 0.9046599574728618
Energy: 1.0247243710294607
Energy: 1.057363723595976
Energy: 1.0153279085348608
Energy: 1.0215555414176356
Energy: 0.9780241073731553
Energy: 0.9658974483265816
Energy: 1.0213243569844777
Energy: 0.9955103594873038
Energy: 1.156362221447033
Energy: 0.9458094294556529
Energy: 0.9618288372059229
Energy: 1.0950150724049423
Energy: 1.1386881602434795
Energy: 1.1221473699615023
Energy: 1.0241054715185947
Energy: 1.0400158598282179
Energy: 1.0703982230076319
Energy: 1.1222569159693545
Energy: 0.9919093833835466
Energy: 1.0296056290057876
Energy: 1.0698904586592617
Energy: 1.0834182710004354
Energy: 1.1548071897081835
Energy: 1.0592319510984713
Energy: 1.051680641769193
Energy: 1.086448548327512
Energy: 1.0788790075420354
Energy: 1.15461408460663
Energy: 1.1394960486151675
Energy: 0.9800451860208074
Energy: 1.0409240201589314
Energy: 0.9869145736259023
Energy: 0.9567553558991633
Energy: 1.0342402967842588
Energy: 1.0390799303339526
Energy: 0.8036948481274374
Energy: 1.0060161289075846
Energy: 1.0135210666807073
Energy: 1.1359811149177963
Energy: 0.9894168788632477
Energy: 0.9784594434711491
Energy: 1.1453782526117708
Energy: 1.1652304697652929
Energy: 1.162740362033818
Energy: 1.0746992941724884
Energy: 0.9378736869531751
Energy: 1.144945924110388
Energy: 1.1530472010522896
Energy: 1.1615518790826542
Energy: 1.0801094199217391
Energy: 0.918622363838081
Energy: 0.9780459935462802
Energy: 1.0513212959401386
Energy: 1.0913942078224974
Energy: 0.9866774594864329
Energy: 0.9888033418531157
Energy: 0.9771619020233773
Energy: 0.9705178440965256
Energy: 1.0817379969594012
Energy: 0.9814594186689621
Energy: 1.021293260708507
Energy: 1.0066142115121435
Energy: 1.3065301282965411
Energy: 1.018036674622615
Energy: 0.9383321513486044
Energy: 0.9885958054541047
Energy: 1.0127085660017294
Energy: 0.9263508971843245
Energy: 1.0080453819875583
Energy: 0.9596142431324087
Energy: 1.024489895474956
Energy: 1.0127197852533614
Energy: 1.0516618163989138
Energy: 1.0456974386340503
Energy: 1.0854122044738133
Energy: 0.9986614063734772
Energy: 0.99813506735842
Energy: 1.0364354780923928
Energy: 1.0045836735043217
Energy: 1.0848311313438923
Energy: 0.9925514679753937
Energy: 1.129517263572246
Energy: 0.9764400490818825
Energy: 1.019844286992552
Energy: 1.027969500380772
Energy: 0.9871937283291233
Energy: 1.1999657861957491
Energy: 0.9761821582257764
Energy: 1.0013043887756081
Energy: 1.0697320444936422
Energy: 0.9859479381744893
Energy: 0.996021710400786
Energy: 1.0318722574112171
Energy: 1.02005490773488
Energy: 0.9915968128013058
Energy: 0.9804842220384921
Energy: 1.0224661156373946
Energy: 1.011228245012687
Energy: 1.0633579180049804
Energy: 1.0051941513939489
Energy: 0.9778826782453822
Energy: 1.0017087485189689
Energy: 1.0322529177093511
Energy: 1.2458974211894331
Energy: 1.1721700409692275
Energy: 1.0398044455188817
Energy: 1.0737860454212227
Energy: 1.008708478007587
Energy: 1.2182143697453205
Energy: 1.0747717594540591
Energy: 1.0288652523132102
Energy: 1.0095365262454703
Energy: 1.1063404645816717
Energy: 1.0271090481685643
Energy: 1.0039252916205879
Energy: 1.0928528361734011
Energy: 0.929430345838819
Energy: 1.0521735848107467
Energy: 1.0862797358737581
Energy: 1.1222557182555586
Energy: 1.0424784525570334

minimum gb energy = 0.8036948481274374 eV
minimum distance =  2.24936009070004 Angstroms
sigma value = 437


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

Energy: 1.0042647145855965
Energy: 0.953629918357873
Energy: 0.9909654501345163
Energy: 0.92996088694904
Energy: 0.9999415091690768
Energy: 1.1815380784478837
Energy: 1.0204759431459791
Energy: 1.0320743057920683
Energy: 0.9800249549624442
Energy: 0.9518110149084071
Energy: 1.0064814971419642
Energy: 1.1387879794780411
Energy: 1.079530888409054
Energy: 1.091280525589171
Energy: 1.0780190121842794
Energy: 0.921376312271998
Energy: 1.14754925199307
Energy: 1.100319490177271
Energy: 1.147160116234391
Energy: 1.0831575341308362
Energy: 0.9236646876927849
Energy: 0.9049150202771447
Energy: 1.027395897302466
Energy: 0.88741063575129
Energy: 0.9992442243318523
Energy: 0.9379602517625765
Energy: 1.0972122074228228
Energy: 1.021562261315979
Energy: 0.9092414704919582
Energy: 0.9867858638381491
Energy: 0.8905406366308671
Energy: 0.8081821466543658
Energy: 1.0049302860262852
Energy: 0.9673029297338942
Energy: 0.9852373541772793
Energy: 0.8443997701930419
Energy: 0.7886248976435155
Energy: 0.964942560835566
Energy: 0.9375783023084027
Energy: 0.9745587988618316
Energy: 0.9968523769293817
Energy: 0.9507728338019558
Energy: 0.9658809597813492
Energy: 0.8300607697442587
Energy: 1.1007101823590093
Energy: 1.0090832524346627
Energy: 0.9118323790473506
Energy: 0.9655601920749549
Energy: 0.9173078395723053
Energy: 1.111515462986286
Energy: 0.8058567586310803
Energy: 0.8506498261388042
Energy: 1.0464802009554268
Energy: 0.9931761293136682
Energy: 0.9405766269482823
Energy: 0.8045278077380388
Energy: 0.9223946641812901
Energy: 1.00698824676293
Energy: 0.9416962037257857
Energy: 1.1587057694403047
Energy: 0.9337182131505356
Energy: 0.8991711079930486
Energy: 0.9282691845265184
Energy: 1.085265322036384
Energy: 1.0901974218429062
Energy: 0.9159616641582472
Energy: 0.9069825297986842
Energy: 0.9038383368467808
Energy: 1.0784995545925182
Energy: 1.0878868603281706
Energy: 1.0992602118504864
Energy: 0.9204287797426278
Energy: 0.9303270297985702
Energy: 1.1285954696708702
Energy: 1.0932902319304139
Energy: 0.89400830421679
Energy: 0.814125857143507
Energy: 0.9191409590907514
Energy: 1.0506513254760732
Energy: 1.1402638978900816
Energy: 0.8003019836808803
Energy: 1.050613414721516
Energy: 1.0214665032146582
Energy: 1.1481573021055314
Energy: 0.8299191717784522
Energy: 0.8149840650368604
Energy: 0.9081707108574621
Energy: 0.9571887394172973
Energy: 1.107092502494386
Energy: 0.8694906170957479
Energy: 0.965488058474422
Energy: 1.0864813856164561
Energy: 0.8258324899480454
Energy: 1.1041229376467594
Energy: 0.9879171763576529
Energy: 0.9572972996182944
Energy: 1.1591428164700048
Energy: 0.8325777777305017
Energy: 1.2742664208935317
Energy: 0.9802195531687028
Energy: 0.9401927205626505
Energy: 0.8999056216549539
Energy: 0.9575727439671711
Energy: 0.938638356345866
Energy: 0.8506446767671955
Energy: 0.859554699182775
Energy: 0.8949449235358234
Energy: 1.0820123144806257
Energy: 0.9696017325488928
Energy: 0.9138737326908929
Energy: 0.8515542090787532
Energy: 0.8403083530674392
Energy: 0.8565557503835824
Energy: 1.1049495100730298
Energy: 0.8269705059662673
Energy: 0.8499580481503042
Energy: 0.8113493816788651
Energy: 1.0782521932504991
Energy: 1.0809318790660112
Energy: 0.8177811719607224
Energy: 0.9118021466417837
Energy: 0.8418867816773472
Energy: 1.138256216034458
Energy: 1.1011878453072974
Energy: 1.0963250539692282
Energy: 0.9048332558143467
Energy: 0.855033622116559
Energy: 1.1292033996517852
Energy: 1.1095538266420353
Energy: 0.8490533244189222
Energy: 0.8921959953498292
Energy: 0.9953397015635976
Energy: 1.192592186596069
Energy: 1.0116012097573743
Energy: 0.782486282076331
Energy: 0.8863236664598061
Energy: 1.0169956091480634
Energy: 1.0708640487106373
Energy: 0.8692010547382552
Energy: 0.9269211238897058

minimum gb energy = 0.782486282076331 eV
minimum distance =  2.25402850022147 Angstroms
sigma value = 33