Model name: model_name=EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.869337007403374
cohesive_energy=3.206600283772908
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.013265284166634748
Energy: 0.31536792750375103
Energy: 0.32348485480851985
Energy: 0.3153914633870948
Energy: 0.013265284167056923
Energy: 0.3153679275022114
Energy: 0.32348485480787414
Energy: 0.32283481891777277
Energy: 0.013529848858836133
Energy: 0.1635131687807591
Energy: 0.01354057187717001
Energy: 0.3228348189168788
Energy: 0.013529848860152325
Energy: 0.16351316878098263
Energy: 0.01326528416683342
Energy: 0.31536792750375103
Energy: 0.32348485480851985
Energy: 0.31539146338664775
Energy: 0.013265284167056923
Energy: 0.3153679275020127
Energy: 0.32348485480787414
Energy: 0.32283481891710225
Energy: 0.013529848858836133
Energy: 0.16351316878098263
Energy: 0.01354057187717001
Energy: 0.32283481891710225
Energy: 0.013529848860152325
Energy: 0.16351316878120614
Energy: 0.013265284166634748
Energy: 0.31536792750330406
Energy: 0.32348485480787414
Energy: 0.31539146338664775
Energy: 0.013265284167056923
Energy: 0.31536792750178916
Energy: 0.32348485480829636
Energy: 0.32283481891710225
Energy: 0.013529848858836133
Energy: 0.1635131687807591
Energy: 0.01354057187717001
Energy: 0.32283481891668014
Energy: 0.013529848860152325
Energy: 0.16351316878098263

minimum gb energy = 0.013265284166634748 eV
minimum distance =  2.70995529805407 Angstroms
sigma value = 5


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

Energy: 0.8594871668146775
Energy: 0.819272268273307
Energy: 0.8714332818188458
Energy: 0.8194116659909075
Energy: 0.8594871668173475
Energy: 0.8192722682599578
Energy: 0.8714332818028268
Energy: 0.8152802964291325
Energy: 0.8226826171964459
Energy: 0.8508395983137386
Energy: 0.8270753405523005
Energy: 0.8152802964291325
Energy: 0.8226826171991156
Energy: 0.8508395983110688
Energy: 0.8097896680753043
Energy: 0.8130634191205424
Energy: 0.8546679495451814
Energy: 0.8355011173228418
Energy: 0.8097896680886535
Energy: 0.8130634191258821
Energy: 0.8546679495398419
Energy: 0.8725619583236358
Energy: 0.8232406478814481
Energy: 0.8670948183176209
Energy: 0.832297127379318
Energy: 0.8725619583263058
Energy: 0.8232406478680988
Energy: 0.8670948183176209
Energy: 0.8128218766284405
Energy: 0.8063846959825192
Energy: 0.8745734043296781
Energy: 0.8072318246022275
Energy: 0.8128218766364501
Energy: 0.8063846959771795
Energy: 0.8745734043189988
Energy: 0.848731978645891
Energy: 0.826391733832112
Energy: 0.8418013783046281
Energy: 0.8311182462512448
Energy: 0.8487319786378813
Energy: 0.8263917338427915
Energy: 0.8418013783179774
Energy: 0.804850201204946
Energy: 0.8221120903491342
Energy: 0.8692036166237214
Energy: 0.8199498697958494
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Energy: 0.8221120903464644
Energy: 0.8518771520163511
Energy: 0.805108873560307
Energy: 0.8119018652785592
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Energy: 0.8123889904486391
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Energy: 0.8302080177832665
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Energy: 0.797908298587521
Energy: 0.8302080177886062
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Energy: 0.8252838756965115
Energy: 0.8313323616363176
Energy: 0.8321887182680181
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Energy: 0.8313323616469971
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Energy: 0.8485427780321049
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Energy: 0.8627286647843571
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Energy: 0.855537750226883
Energy: 0.8204078857871369
Energy: 0.8156509305266245
Energy: 0.84533799594759
Energy: 0.8209681050889129
Energy: 0.8204078857898067
Energy: 0.815650930537304
Energy: 0.8453379959609393
Energy: 0.8594305953179061
Energy: 0.8590810518783849
Energy: 0.861621836852611
Energy: 0.84657069233325
Energy: 0.8594305953205759
Energy: 0.8590810518863944
Energy: 0.8616218368446014
Energy: 0.8206821137012734
Energy: 0.8278870049838454
Energy: 0.8438257327737796
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Energy: 0.8206821137039431
Energy: 0.8278870049624865
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Energy: 0.8058259213855051
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Energy: 0.8553684318770628
Energy: 0.8372224340351978
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Energy: 0.8322141157442872
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Energy: 0.8071348303692384
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Energy: 0.8047853476493926
Energy: 0.8176281484293448
Energy: 0.8626955877543232
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Energy: 0.8176281484293448
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Energy: 0.8677302949944674
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Energy: 0.8732204511632304
Energy: 0.8123775774626261
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Energy: 0.8732204511605605
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Energy: 0.8935554174323864
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Energy: 0.8275245813436434
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Energy: 0.8172259191459448
Energy: 0.8149524962416926
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Energy: 0.848318091264318
Energy: 0.8198540837732277
Energy: 0.8198155333596886
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Energy: 0.8539308988744913
Energy: 0.819854083770558
Energy: 0.8198155333676982
Energy: 0.8484705570900596
Energy: 0.8531301567482885
Energy: 0.8176443077414169
Energy: 0.84795907749817
Energy: 0.8160132963241769
Energy: 0.8531301567162503
Energy: 0.8176443077494265
Energy: 0.84795907749817
Energy: 0.8386898948862734
Energy: 0.8737877316447545
Energy: 0.8715111055343155
Energy: 0.8704571298048601
Energy: 0.8386898948836035
Energy: 0.8737877316260655
Energy: 0.8715111055422766
Energy: 0.8561282326145747
Energy: 0.8241500202128325
Energy: 0.8442877766467363
Energy: 0.8173451583035365
Energy: 0.8561282326119048
Energy: 0.8241500202128325
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Energy: 0.8961720468392457
Energy: 0.8290411491330711
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Energy: 0.8137288606414724
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Energy: 0.8728388624857063
Energy: 0.8324438481017435
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Energy: 0.8219316808871553
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Energy: 0.8148498851003273
Energy: 0.8143645624497043
Energy: 0.8766510063702689
Energy: 0.8131611203834568
Energy: 0.8148498850896478
Energy: 0.814364562436355
Energy: 0.8766510063702689
Energy: 0.8178371812874683
Energy: 0.8128202685343903
Energy: 0.8694840996719498
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Energy: 0.8694840996692801
Energy: 0.8061134919127398
Energy: 0.8124676663017905
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Energy: 0.8124901815994306
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Energy: 0.8314561979641744
Energy: 0.87708573575417
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Energy: 0.8314561979615047
Energy: 0.8770857357461604
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Energy: 0.8177475669003207
Energy: 0.8477733236729996
Energy: 0.8070235038100595
Energy: 0.8068502204732692
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Energy: 0.8477733236756695
Energy: 0.8492886789080565
Energy: 0.8332856575252565
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Energy: 0.8356661978032798
Energy: 0.8492886788920374
Energy: 0.8332856575172954
Energy: 0.8712140855378637
Energy: 0.8574035742358984
Energy: 0.8277322135170756
Energy: 0.8359288609732266
Energy: 0.8203491571461105
Energy: 0.8574035742439079
Energy: 0.8277322135224152
Energy: 0.835928860983906
Energy: 0.8615883391832305
Energy: 0.8198530757986529
Energy: 0.8458657493777934
Energy: 0.8572574314342993
Energy: 0.8615883391885703
Energy: 0.819853075795983
Energy: 0.8458657493751234
Energy: 0.8384511032606327
Energy: 0.8135222720371023
Energy: 0.8547457346759724
Energy: 0.8264913416138665
Energy: 0.8384511032633026
Energy: 0.813522272045112
Energy: 0.8547457346786422
Energy: 0.8951426063456382
Energy: 0.8358730279234149
Energy: 0.8781165727701614
Energy: 0.867757356633389
Energy: 0.8951426063509778
Energy: 0.8358730279313759
Energy: 0.8781165727594821
Energy: 0.8559119043178044
Energy: 0.817304335836352
Energy: 0.8366729506433653
Energy: 0.8179833049503661
Energy: 0.8559119043071248
Energy: 0.8173043358443615
Energy: 0.836672950653996
Energy: 0.798221218227921
Energy: 0.8265274602018374
Energy: 0.8968938286080937
Energy: 0.8285237420768153
Energy: 0.798221218230591
Energy: 0.8265274601964978
Energy: 0.8968938286187733
Energy: 0.8126575729158592
Energy: 0.8702357598210718
Energy: 0.8497401757233679
Energy: 0.8284215452654384
Energy: 0.8126575729238686
Energy: 0.8702357598237416
Energy: 0.8497401757153584
Energy: 0.7977755038712077
Energy: 0.8173427107446941
Energy: 0.8736245097624245
Energy: 0.8158101270828727
Energy: 0.7977755038765475
Energy: 0.8173427107420242
Energy: 0.8736245097597546

minimum gb energy = 0.7977755038712077 eV
minimum distance =  2.45618420957441 Angstroms
sigma value = 401


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

Energy: 0.8190625741652958
Energy: 0.8406970213837636
Energy: 0.8490207938994231
Energy: 0.8366765963388458
Energy: 0.8190625741677203
Energy: 0.8406970213907339
Energy: 0.8409089851714447
Energy: 0.8136322977718976
Energy: 0.8255581892441402
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Energy: 0.8319338002883234
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Energy: 0.8561948501115942
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Energy: 0.8258000621958272
Energy: 0.855479274006135
Energy: 0.8253942846544566
Energy: 0.8116180051878849
Energy: 0.8258000621961304
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Energy: 0.8209687688788015
Energy: 0.8319827012181424
Energy: 0.8699916045834934
Energy: 0.824272858742098
Energy: 0.8209687688821352
Energy: 0.83198270120996
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Energy: 0.8208366231030374
Energy: 0.8301438756859582
Energy: 0.8563062770394333
Energy: 0.8220387267910576
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Energy: 0.8301438756832307
Energy: 0.8563062770357966
Energy: 0.8120914936503222
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Energy: 0.8120914936457763
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Energy: 0.8214288887019624
Energy: 0.8334331916562134
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Energy: 0.8253942846544566
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Energy: 0.8250369106586307
Energy: 0.831344477147995
Energy: 0.8404410422736878
Energy: 0.8120914936466854
Energy: 0.8250369106616613
Energy: 0.8214288887010532
Energy: 0.8334331916537888
Energy: 0.8297258940952386
Energy: 0.8359508227597208
Energy: 0.8248595438916068
Energy: 0.8334331916528798
Energy: 0.829725894092208
Energy: 0.8359508227591147
Energy: 0.8347831126442304
Energy: 0.8148868187336833
Energy: 0.8366468414228565
Energy: 0.8285964535425652
Energy: 0.8347831126457458
Energy: 0.8148868187327741
Energy: 0.8274496475617988
Energy: 0.8112563966901853
Energy: 0.8218402535669823
Energy: 0.8695915307497032
Energy: 0.8244946842457618
Energy: 0.8112563966965495
Energy: 0.8218402535669823
Energy: 0.8695915307542491
Energy: 0.8208403189620693
Energy: 0.8668649459368096
Energy: 0.8811273872842003
Energy: 0.8256860459161839
Energy: 0.8208403189563114
Energy: 0.8668649459365066
Energy: 0.8810699407237073
Energy: 0.8210504646121317
Energy: 0.8666813161033783
Energy: 0.877856750084767
Energy: 0.8257588929796442
Energy: 0.8210504646106165
Energy: 0.8666813161006507
Energy: 0.87785675008507
Energy: 0.8120976604403565
Energy: 0.8262422023697856
Energy: 0.8773087807663147
Energy: 0.8383966335812052
Energy: 0.8120976604445992
Energy: 0.8262422023706948
Energy: 0.8773087807657086
Energy: 0.817102711394059
Energy: 0.8229602559640464
Energy: 0.9186034814653239
Energy: 0.8307332592974306
Energy: 0.817102711394059
Energy: 0.8229602559643494
Energy: 0.8827498776824999
Energy: 0.8167884954509012
Energy: 0.8406970213840667
Energy: 0.8409089851750815
Energy: 0.8366765963394519
Energy: 0.8167884954566593
Energy: 0.8406970213898247
Energy: 0.8409089851732631
Energy: 0.8136322977700793
Energy: 0.8255581892444434
Energy: 0.8561948501118972
Energy: 0.8300975507161199
Energy: 0.8136322977670487
Energy: 0.8255581892450493
Energy: 0.8561948501118972

minimum gb energy = 0.8112563966895792 eV
minimum distance =  2.46517800450617 Angstroms
sigma value = 311


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

Energy: 0.8465970941277617
Energy: 0.8107809776466922
Energy: 0.8973444565941633
Energy: 0.8107356717164352
Energy: 0.8465970941284616
Energy: 0.810780977648092
Energy: 0.8851715935235581
Energy: 0.8433122867907009
Energy: 0.8274105692241841
Energy: 0.8543276685068208
Energy: 0.8076140461812109
Energy: 0.8433122867896511
Energy: 0.8274105692248839
Energy: 0.8543276685068208
Energy: 0.81095627217875
Energy: 0.8486613766299635
Energy: 0.8546357795866747
Energy: 0.8277146621494238
Energy: 0.8109562721811838
Energy: 0.8486613766310134
Energy: 0.8546357795873746
Energy: 0.8144046437797261
Energy: 0.8186362864911022
Energy: 0.8666697814892061
Energy: 0.8234167898868358
Energy: 0.8144046437797261
Energy: 0.8186362864907523
Energy: 0.8666697814909559
Energy: 0.8469661295902357
Energy: 0.8102449593618556
Energy: 0.8865380774682152
Energy: 0.8318712021842074
Energy: 0.8469661295919854
Energy: 0.8102449593653548
Energy: 0.8645787822728165
Energy: 0.8105621308589941
Energy: 0.8066074826979527
Energy: 0.8571802176053138
Energy: 0.8094669012105253
Energy: 0.8105621308568945
Energy: 0.8066074826976027
Energy: 0.8571802176046139
Energy: 0.8104623464266263
Energy: 0.8103329774421354
Energy: 0.8359782714237762
Energy: 0.834859748085417
Energy: 0.8104623464294257
Energy: 0.8103329774417855
Energy: 0.8359782714206266
Energy: 0.8100121857312935
Energy: 0.8135124927918933
Energy: 0.8869004111400773
Energy: 0.8171349342475089
Energy: 0.8100121857309436
Energy: 0.8135124927915435
Energy: 0.8869004111393775
Energy: 0.8102966409243249
Energy: 0.8168874820524792
Energy: 0.9005122727191296
Energy: 0.8113205337251601
Energy: 0.8102966409253748
Energy: 0.816887482054229
Energy: 0.8927758216967312
Energy: 0.8208095269527818
Energy: 0.8351391880270448
Energy: 0.8482507517667922
Energy: 0.8102445128351518
Energy: 0.8208095269534816
Energy: 0.8351391880280947
Energy: 0.8482507517657425
Energy: 0.8464182638016114
Energy: 0.8082018861284218
Energy: 0.8545214573060037
Energy: 0.8037841179888576
Energy: 0.8464182638044109
Energy: 0.8082018861291216
Energy: 0.8545214573074034
Energy: 0.8422463297470042
Energy: 0.8326996956011277
Energy: 0.8658958385505682
Energy: 0.8291286789549379
Energy: 0.8422463297473383
Energy: 0.8326996956004277
Energy: 0.8658958385488185
Energy: 0.8411419403400707
Energy: 0.8269084582838486
Energy: 0.8875857077963266
Energy: 0.8170702319134008
Energy: 0.8411419403428702
Energy: 0.826908458286648
Energy: 0.8875857077970265
Energy: 0.823211769972044
Energy: 0.8240331527016274
Energy: 0.8800565591950616
Energy: 0.824089147980584
Energy: 0.8232117699734438
Energy: 0.8240331527033768
Energy: 0.8800565591950616
Energy: 0.8411254479175895
Energy: 0.8172281016832795
Energy: 0.8872799983724384
Energy: 0.8269009929502271
Energy: 0.8411254479189891
Energy: 0.8172281016818798
Energy: 0.8872799983699889
Energy: 0.8422169467180349
Energy: 0.8292936600606714
Energy: 0.865902537936045
Energy: 0.8328019025906871
Energy: 0.8422169467225841
Energy: 0.8292936600585719
Energy: 0.8659025379391944
Energy: 0.8463061063749228
Energy: 0.8036813329164497
Energy: 0.8547163779492202
Energy: 0.8082305152509235
Energy: 0.8463061063717733
Energy: 0.8036813329195992
Energy: 0.8547163779516698
Energy: 0.8208253584421715
Energy: 0.8103570953812419
Energy: 0.8485338868999018
Energy: 0.8351125827034762
Energy: 0.8208253584432212
Energy: 0.8103570953826417
Energy: 0.8485338869002516
Energy: 0.8103459536431249
Energy: 0.8113420800535036
Energy: 0.8898738687375508
Energy: 0.8171079281736666
Energy: 0.8103459536399754
Energy: 0.8113420800538536
Energy: 0.8898738687375508
Energy: 0.8099563067398682
Energy: 0.8171642167512778
Energy: 0.9098025170344661
Energy: 0.8135211575808754
Energy: 0.8099563067381184
Energy: 0.8171642167551271
Energy: 0.9098025170334163
Energy: 0.8105258409074115
Energy: 0.8349820804488203
Energy: 0.8608355311786466
Energy: 0.8102981024378456
Energy: 0.8105258409084612
Energy: 0.83498208044952
Energy: 0.860835531175847
Energy: 0.8106368398926821
Energy: 0.8095933472670238
Energy: 0.8571059448781836
Energy: 0.8066623217128952
Energy: 0.8106368398909484
Energy: 0.809593347265624
Energy: 0.8571059448774839
Energy: 0.8471014501698692
Energy: 0.8319248457372845
Energy: 0.8393597372552289
Energy: 0.8103924260440374
Energy: 0.8471014501681196
Energy: 0.8319248457397183
Energy: 0.8393597372492959
Energy: 0.8143901991282831
Energy: 0.8233354870706864
Energy: 0.8665744920931441
Energy: 0.8186456541960533
Energy: 0.814390199129333
Energy: 0.823335487073136
Energy: 0.8665744920917443
Energy: 0.8107967134465061
Energy: 0.8277155259395591
Energy: 0.8476334873593347
Energy: 0.8486707921234815
Energy: 0.8107967134475559
Energy: 0.8277155259378255
Energy: 0.8500087554828007
Energy: 0.8431697960338187
Energy: 0.8075504429098259
Energy: 0.8542754707145888
Energy: 0.8272903707000911
Energy: 0.8431697960338187
Energy: 0.8075504429098259
Energy: 0.8542754707135392
Energy: 0.8465970941298613
Energy: 0.8107809776466922
Energy: 0.9312887120458507
Energy: 0.810735671718185
Energy: 0.8465970941277617
Energy: 0.810780977647392
Energy: 0.8944926370015316
Energy: 0.843312286790001
Energy: 0.8274105692231343
Energy: 0.8543276685054212
Energy: 0.807614046179811
Energy: 0.843312286790001
Energy: 0.8274105692241841
Energy: 0.8543276685071708
Energy: 0.8109562721822337
Energy: 0.8486613766327631
Energy: 0.8546357795856249
Energy: 0.8277146621501236
Energy: 0.81095627217945
Energy: 0.8486613766313633
Energy: 0.8546357795863248
Energy: 0.8144046437779764
Energy: 0.818636286487253
Energy: 0.866669781490256
Energy: 0.8234167898850859
Energy: 0.8144046437797261
Energy: 0.8186362864897024
Energy: 0.8666697814892061
Energy: 0.8469661295937351
Energy: 0.8102449593629053
Energy: 0.8645787822735163
Energy: 0.8318712021793083
Energy: 0.8469661295923353
Energy: 0.8102449593643052
Energy: 0.8645787822766499
Energy: 0.8105621308586441
Energy: 0.8066074826972528
Energy: 0.8571802176049639
Energy: 0.8094669012129748
Energy: 0.8105621308575943
Energy: 0.8066074827004023
Energy: 0.8571802176067137
Energy: 0.810462346427676
Energy: 0.8103329774407356
Energy: 0.8606326411921764
Energy: 0.8348597480875167
Energy: 0.810462346427676
Energy: 0.8103329774417855
Energy: 0.8359782714227264
Energy: 0.8100121857295438
Energy: 0.8135124927915435
Energy: 0.8869004111355281
Energy: 0.8171349342471591
Energy: 0.8100121857291939
Energy: 0.8135124927925932
Energy: 0.8869004111386776
Energy: 0.8102966409253748
Energy: 0.8168874820538791
Energy: 0.90750766013641
Energy: 0.8113205337251601
Energy: 0.8102966409288741
Energy: 0.816887482055279
Energy: 0.8927758216995306
Energy: 0.8208095269524318
Energy: 0.8351391880280947
Energy: 0.8482507517660924
Energy: 0.8102445128358517
Energy: 0.820809526951382
Energy: 0.835139188025995
Energy: 0.8482507517643427

minimum gb energy = 0.8036813329164497 eV
minimum distance =  2.46697711640402 Angstroms
sigma value = 39


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

Energy: 0.7814202496284607
Energy: 0.8218001263989565
Energy: 0.8634440365434684
Energy: 0.8219279844812604
Energy: 0.7814202496263957
Energy: 0.8218001263948265
Energy: 0.8634440365376863
Energy: 0.7718673081609836
Energy: 0.8739451092988596
Energy: 0.7782348461134942
Energy: 0.8757215960145417
Energy: 0.7718673081622225
Energy: 0.8739451093013375
Energy: 0.7782348461134942
Energy: 0.7813645748853392
Energy: 0.7457513272779429
Energy: 0.8229786221094348
Energy: 0.8008177805835338
Energy: 0.7813645748828613
Energy: 0.745751327276704
Energy: 0.822978622108609
Energy: 0.7719503637125706
Energy: 0.8731465462706587
Energy: 0.7835995203348601
Energy: 0.8360953497578524
Energy: 0.7719503637162877
Energy: 0.8731465462760275
Energy: 0.7835995203323822
Energy: 0.8561735313808817
Energy: 0.8006488117468163
Energy: 0.8003367851753113
Energy: 0.8008627810940544
Energy: 0.8561735313800557
Energy: 0.8006488117546633
Energy: 0.8003367851732462
Energy: 0.7718531174949046
Energy: 0.8171702291274094
Energy: 0.8718493400174778
Energy: 0.8355612677379374
Energy: 0.7718531175002736
Energy: 0.8171702291232797
Energy: 0.8718493400166519
Energy: 0.9055561804604423
Energy: 0.8006177888969684
Energy: 0.840096681828146
Energy: 0.8012684002876268
Energy: 0.9055561804546604
Energy: 0.8006177888973814
Energy: 0.8400966818269069
Energy: 0.7723236689129063
Energy: 0.7660244108279687
Energy: 0.8993302724074249
Energy: 0.7658263207216126
Energy: 0.7723236689157974
Energy: 0.7660244108209477
Energy: 0.8993302724103159
Energy: 0.9055209046436661
Energy: 0.8012971505295079
Energy: 0.819399353593207
Energy: 0.8007731811585461
Energy: 0.905520904649448
Energy: 0.8012971505303339
Energy: 0.819399353599402
Energy: 0.7718866803970391
Energy: 0.8355801765845904
Energy: 0.8717574505709557
Energy: 0.8171280356016054
Energy: 0.771886680403234
Energy: 0.8355801765825255
Energy: 0.8717574505693036
Energy: 0.85452644057733
Energy: 0.8009297545244513
Energy: 0.8290061196414028
Energy: 0.8006500869283767
Energy: 0.8545264405740259
Energy: 0.8009297545244513
Energy: 0.790734958951782
Energy: 0.771781218907263
Energy: 0.8361218810826689
Energy: 0.7835602605802936
Energy: 0.8731301780365033
Energy: 0.7717812189089152
Energy: 0.8361218810884509
Energy: 0.7835602605798806
Energy: 0.7814067155384252
Energy: 0.8008130248155064
Energy: 0.8222286931912623
Energy: 0.7457409390163113
Energy: 0.7814067155413161
Energy: 0.8008130248196363
Energy: 0.8192632088476106
Energy: 0.7718855657580848
Energy: 0.8757849718494931
Energy: 0.7781884673576009
Energy: 0.8733809510245644
Energy: 0.7718855657515142
Energy: 0.8757849718432982
Energy: 0.7781884673576009
Energy: 0.7814202496280478
Energy: 0.8218001263993695
Energy: 0.8634440365422293
Energy: 0.8219279844820865
Energy: 0.7814202496251568
Energy: 0.8218001263948265
Energy: 0.8634440365368604
Energy: 0.7718673081605706
Energy: 0.8739451092996856
Energy: 0.7782348461139071
Energy: 0.8757215960149547
Energy: 0.7718673081622225
Energy: 0.8739451093017505
Energy: 0.7782348461155217
Energy: 0.7813645748845132
Energy: 0.7457513272795949
Energy: 0.8229786221123258
Energy: 0.8008177805851859
Energy: 0.7813645748820354
Energy: 0.7457513272783559
Energy: 0.8229786221131518
Energy: 0.7719503637109185
Energy: 0.8731465462698326
Energy: 0.7835995203360991
Energy: 0.8360953497586784
Energy: 0.7719503637142225
Energy: 0.8731465462760275
Energy: 0.7835995203311431
Energy: 0.8561735313817076
Energy: 0.8006488117476422
Energy: 0.8003367851769632
Energy: 0.8008627810944674
Energy: 0.8561735313792298
Energy: 0.8006488117542502
Energy: 0.8003367851736592
Energy: 0.7718531174936656
Energy: 0.8171702291274094
Energy: 0.8718493400166519
Energy: 0.8355612677379374
Energy: 0.7718531175006865
Energy: 0.8171702291236926
Energy: 0.8718493400174778
Energy: 0.9055561804604423
Energy: 0.8006177888961424
Energy: 0.840096681828559
Energy: 0.8012684002896916
Energy: 0.9055561804546604
Energy: 0.8006177888969684
Energy: 0.8400966818269069
Energy: 0.7723236689124934
Energy: 0.7660244108296207
Energy: 0.8993302724078379
Energy: 0.7658263207207867
Energy: 0.7723236689153844
Energy: 0.7660244108217736
Energy: 0.8993302724107289
Energy: 0.905520904641601
Energy: 0.8012971505299209
Energy: 0.819399353592794
Energy: 0.8007731811568941
Energy: 0.9055209046469701
Energy: 0.8012971505303339
Energy: 0.8193993535998151
Energy: 0.7718866803974521
Energy: 0.8355801765866554
Energy: 0.8717574505713687
Energy: 0.8171280356003664
Energy: 0.771886680402408
Energy: 0.8355801765841774
Energy: 0.8717574505701295
Energy: 0.854526440576917
Energy: 0.8009297545244513
Energy: 0.8290061196418158
Energy: 0.8006500869275508
Energy: 0.854526440574439
Energy: 0.8009297545240383
Energy: 0.790734958950956
Energy: 0.7717812189064371
Energy: 0.8361218810826689
Energy: 0.7835602605814952
Energy: 0.8731301780373292
Energy: 0.7717812189085022
Energy: 0.836121881086799
Energy: 0.7835602605798806
Energy: 0.7814067155371862
Energy: 0.8008130248167454
Energy: 0.8192632088529794
Energy: 0.7457409390167243
Energy: 0.7814067155404901
Energy: 0.8008130248208754
Energy: 0.8192632088488495
Energy: 0.7718855657576718
Energy: 0.8757849718494931
Energy: 0.7781884673580141
Energy: 0.8733809510245644
Energy: 0.7718855657515142
Energy: 0.8757849718424721
Energy: 0.7781884673576009
Energy: 0.7814202496280478
Energy: 0.8218001263989565
Energy: 0.8634440365438814
Energy: 0.8219279844812604
Energy: 0.7814202496263957
Energy: 0.8218001263948265
Energy: 0.8634440365380994
Energy: 0.7718673081609836
Energy: 0.8739451092988596
Energy: 0.7782348461130812
Energy: 0.8757215960141288
Energy: 0.7718673081622225
Energy: 0.8739451093005115
Energy: 0.7782348461139071

minimum gb energy = 0.7457409390163113 eV
minimum distance =  2.50825702272992 Angstroms
sigma value = 21


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

Energy: 0.8441110983682268
Energy: 0.8515369594176707
Energy: 0.8713214226862327
Energy: 0.8520220461380799
Energy: 0.8441110983657201
Energy: 0.8515369594136599
Energy: 0.8432606389605309
Energy: 0.8190370721134063
Energy: 0.7999147892878388
Energy: 0.7331576178712605
Energy: 0.7998923859145851
Energy: 0.8190370721139075
Energy: 0.799914789283828
Energy: 0.7331576178682525
Energy: 0.8445876770248584
Energy: 0.7959837950494056
Energy: 0.8524893172548944
Energy: 0.7874749744732908
Energy: 0.844587677025861
Energy: 0.7959837950448932
Energy: 0.852489317255897
Energy: 0.8267347962191305
Energy: 0.8014526254353828
Energy: 0.8249645173031346
Energy: 0.8005554614267186
Energy: 0.826734796214117
Energy: 0.8014526254338786
Energy: 0.8249645173006277
Energy: 0.8011665986980796
Energy: 0.7973544394211455
Energy: 0.8580189496011169
Energy: 0.8196716619537153
Energy: 0.8011665986965756
Energy: 0.7973544394201426
Energy: 0.8580189495996129
Energy: 0.8267866581022765
Energy: 0.7888680056727612
Energy: 0.8903819156026472
Energy: 0.8104754517168253
Energy: 0.8267866581012737
Energy: 0.7888680056737638
Energy: 0.8903819156056552
Energy: 0.8442572833211236
Energy: 0.7974534846050203
Energy: 0.8253274660606887
Energy: 0.8175487132650242
Energy: 0.8442572833246331
Energy: 0.7974534846060232
Energy: 0.825327466059686
Energy: 0.831673216024548
Energy: 0.7829895055662579
Energy: 0.822292361897253
Energy: 0.8103662535331958
Energy: 0.8316732160230441
Energy: 0.7829895055632498
Energy: 0.8222923618997596
Energy: 0.8443533238422241
Energy: 0.8037317715436019
Energy: 0.8353322945735315
Energy: 0.7926866412715589
Energy: 0.8443533238457337
Energy: 0.8037317715415964
Energy: 0.8353322945770411
Energy: 0.835063227929761
Energy: 0.7843422567527093
Energy: 0.7809251054360863
Energy: 0.802853923944296
Energy: 0.8350632279287582
Energy: 0.7843422567541906
Energy: 0.7809251054360863
Energy: 0.8623053895089259
Energy: 0.8109787096755354
Energy: 0.8175869877721201
Energy: 0.8173460923713027
Energy: 0.8623053895079231
Energy: 0.8109787096775409
Energy: 0.8175869877721201
Energy: 0.7517864927010578
Energy: 0.7638123306566932
Energy: 0.7619770728939382
Energy: 0.7624545693834941
Energy: 0.7517864926995538
Energy: 0.7638123306571946
Energy: 0.7619770728929354
Energy: 0.8623427337601789
Energy: 0.8114305329538614
Energy: 0.8097718912988258
Energy: 0.8047623606305159
Energy: 0.8623427337601789
Energy: 0.8114305329538614
Energy: 0.8097718912993273
Energy: 0.7515257963772737
Energy: 0.8066275015792584
Energy: 0.8220837918375502
Energy: 0.762720276234333
Energy: 0.751525796377775
Energy: 0.8066275015807627
Energy: 0.8220837918445691
Energy: 0.8282703886546644
Energy: 0.7685291084182212
Energy: 0.7753597654149087
Energy: 0.8005023686047262
Energy: 0.8282703886516563
Energy: 0.768529108420728
Energy: 0.775359765419421
Energy: 0.751125999292659
Energy: 0.8523140020773029
Energy: 0.8126769469600655
Energy: 0.798764339881359
Energy: 0.7511259992906535
Energy: 0.852314002078807
Energy: 0.8126769469565561
Energy: 0.8283652083433316
Energy: 0.7683971305270996
Energy: 0.818479669612645
Energy: 0.800253472630648
Energy: 0.8283652083413262
Energy: 0.7683971305316117
Energy: 0.818479669612645
Energy: 0.7512146026980614
Energy: 0.805107503069344
Energy: 0.8119331953375776
Energy: 0.8339090438093731
Energy: 0.7512146026965574
Energy: 0.8051075030713495
Energy: 0.8119331953360737
Energy: 0.844691772588137
Energy: 0.768519257579544
Energy: 0.8763036323633551
Energy: 0.8003716200683395
Energy: 0.8446917725861315
Energy: 0.76851925757804
Energy: 0.8763036323638566
Energy: 0.7512044648346248
Energy: 0.8482195635502965
Energy: 0.8302748308897483
Energy: 0.8482503339325406
Energy: 0.7512044648321179
Energy: 0.8482195635507979
Energy: 0.8302748308917537
Energy: 0.844399893582351
Energy: 0.8002721399062664
Energy: 0.8764293483011415
Energy: 0.768517362925416
Energy: 0.844399893582351
Energy: 0.8002721399062664
Energy: 0.8764293483041495
Energy: 0.751285421087108
Energy: 0.8338973566031956
Energy: 0.8119824948597685
Energy: 0.8052071482064423
Energy: 0.751285421091119
Energy: 0.8338973566026943
Energy: 0.8119824948567603
Energy: 0.8283449889191181
Energy: 0.8001050679250395
Energy: 0.8184843672422975
Energy: 0.768137943787917
Energy: 0.8283449889226275
Energy: 0.8001050679265435
Energy: 0.8184843672448041
Energy: 0.7511321642871707
Energy: 0.798800697933173
Energy: 0.8126937487156287
Energy: 0.8522549271885479
Energy: 0.7511321642871707
Energy: 0.798800697930165
Energy: 0.8126937487151273
Energy: 0.8284198726728176
Energy: 0.8004708107881923
Energy: 0.8630483191712789
Energy: 0.7685510417192102
Energy: 0.8284198726753245
Energy: 0.800470810789195
Energy: 0.7900442663704687

minimum gb energy = 0.7331576178682525 eV
minimum distance =  2.51752599090696 Angstroms
sigma value = 113


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

Energy: 0.8265489817537972
Energy: 0.8946959972808086
Energy: 0.8548111034499979
Energy: 0.8947138378241263
Energy: 0.8265489817434697
Energy: 0.8946959972707864
Energy: 0.854811103443842
Energy: 0.8762517086159106
Energy: 0.830759329870214
Energy: 0.8375412444164418
Energy: 0.8395338515206542
Energy: 0.8762517086117388
Energy: 0.830759329867416
Energy: 0.8375412444145086
Energy: 0.8197744649187991
Energy: 0.8505032906390827
Energy: 0.8609835845158377
Energy: 0.8385565387896845
Energy: 0.8197744649235813
Energy: 0.8505032906368444
Energy: 0.8609835845144133
Energy: 0.7894411102146214
Energy: 0.8162932865224884
Energy: 0.7918787509401349
Energy: 0.8395589525128745
Energy: 0.789441110226933
Energy: 0.8162932865193852
Energy: 0.791878750933979
Energy: 0.8581276297526012
Energy: 0.7962464165191532
Energy: 0.8696403334471089
Energy: 0.8086534288672187
Energy: 0.8581276297523467
Energy: 0.7962464165446412
Energy: 0.869640333441818
Energy: 0.794817709091234
Energy: 0.7861165116586505
Energy: 0.8454094946001053
Energy: 0.8123095682646522
Energy: 0.7948177090926585
Energy: 0.786116511656412
Energy: 0.8454094945892183
Energy: 0.7898279094068914
Energy: 0.8081353606845418
Energy: 0.8806762273516121
Energy: 0.8101533633997783
Energy: 0.7898279094113683
Energy: 0.8081353606926308
Energy: 0.8806762273552241
Energy: 0.7905333604122979
Energy: 0.8044787373916592
Energy: 0.8796924573234652
Energy: 0.793537488050386
Energy: 0.7905333604069561
Energy: 0.8044787373938977
Energy: 0.8796924573128324
Energy: 0.789518871045197
Energy: 0.7995772579092506
Energy: 0.8975217205442088
Energy: 0.7841452187719091
Energy: 0.7895188710211335
Energy: 0.7995772579120486
Energy: 0.8975217205570291
Energy: 0.7736429605319248
Energy: 0.8061015600340325
Energy: 0.9193070112435039
Energy: 0.8048936845402317
Energy: 0.7736429605299916
Energy: 0.8061015600323538
Energy: 0.9193070112451828
Energy: 0.7896155548234157
Energy: 0.7935317513350465
Energy: 0.9197573800428953
Energy: 0.8055265268741391
Energy: 0.789615554828147
Energy: 0.7935317513224805
Energy: 0.9197573800529686
Energy: 0.7734770965969369
Energy: 0.7801784893674807
Energy: 0.9033706319757681
Energy: 0.8153199614153762
Energy: 0.7734770965941388
Energy: 0.7801784893817254
Energy: 0.9033706319813641
Energy: 0.7909715066017013
Energy: 0.8143770290960354
Energy: 0.917703166266243
Energy: 0.7970748712434597
Energy: 0.7909715066070431
Energy: 0.8143770290904393
Energy: 0.9177031662584084
Energy: 0.8180089726713153
Energy: 0.8262130978957293
Energy: 0.8461496202775866
Energy: 0.8241655237585389
Energy: 0.8180089726754869
Energy: 0.8262130979004605
Energy: 0.8461496202865404
Energy: 0.7906626662865043
Energy: 0.8223534323604074
Energy: 0.921961469730207
Energy: 0.8249222043970864
Energy: 0.7906626662901165
Energy: 0.8223534323757714
Energy: 0.9219614697265949
Energy: 0.8179180874649843
Energy: 0.7859905133421382
Energy: 0.8831118529762152
Energy: 0.8151472318552191
Energy: 0.8179180874825867
Energy: 0.7859905133323706
Energy: 0.8831118529756556
Energy: 0.8004684471766187
Energy: 0.8147825021269894
Energy: 0.9176047817647555
Energy: 0.7969945155277132
Energy: 0.8004684471833342
Energy: 0.8147825021331451
Energy: 0.9176047817689271
Energy: 0.7735880516693011
Energy: 0.7785605471038888
Energy: 0.8629459008047824
Energy: 0.8036429433414716
Energy: 0.7735880516773902
Energy: 0.7785605471027696
Energy: 0.8629459007919112
Energy: 0.8051622693119495
Energy: 0.8402513078121369
Energy: 0.8912195690669753
Energy: 0.8153997485243876
Energy: 0.8051622693033008
Energy: 0.840251307813256
Energy: 0.8912195690717067
Energy: 0.7733745136758609
Energy: 0.7986202445251823
Energy: 0.9001279824082736
Energy: 0.7952603403483609
Energy: 0.7733745136719437
Energy: 0.7986202445008644
Energy: 0.900127982418652
Energy: 0.8024955048951283
Energy: 0.8096208461314722
Energy: 0.8444105301730547
Energy: 0.8273236555425721
Energy: 0.8024955048982317
Energy: 0.8096208461208396
Energy: 0.844410530171681
Energy: 0.7735011651929763
Energy: 0.8079751662191367
Energy: 0.8768447124398265
Energy: 0.8038103096173593
Energy: 0.773501165202744
Energy: 0.8079751662334325
Energy: 0.8768447124471017
Energy: 0.8024293959130787
Energy: 0.7989374817689929
Energy: 0.8719847453577284
Energy: 0.8649341662770331
Energy: 0.8024293959114
Energy: 0.7989374817647703
Energy: 0.8719847453686156
Energy: 0.8150197577294794
Energy: 0.8122813511895565
Energy: 0.8607819378344344
Energy: 0.8046465677123819
Energy: 0.8150197577135558
Energy: 0.8122813511937792
Energy: 0.860781937844762
Energy: 0.8020554056511746
Energy: 0.8368210786853759
Energy: 0.838372124589459
Energy: 0.8621549444048751
Energy: 0.8020554056595689
Energy: 0.8368210786929563
Energy: 0.8383721245892046
Energy: 0.8125126045731216
Energy: 0.8470914398057824
Energy: 0.9088734807271914
Energy: 0.8249063916269911
Energy: 0.8125126045658464
Energy: 0.847091439803544
Energy: 0.9088734807344664
Energy: 0.8557406041001271
Energy: 0.8554112491334677
Energy: 0.836549716572753
Energy: 0.8765456101590666
Energy: 0.8557406040992623
Energy: 0.85541124914466
Energy: 0.836549716590966
Energy: 0.8127638603893899
Energy: 0.8766107676708731
Energy: 0.9231615802621631
Energy: 0.8693928172422821
Energy: 0.8127638603961052
Energy: 0.8766107676818111
Energy: 0.9231615802573809
Energy: 0.8561225289132133
Energy: 0.8469299962665395
Energy: 0.8129663763516369
Energy: 0.9077675988595744
Energy: 0.8561225289011559
Energy: 0.8469299962673534
Energy: 0.8125135554002128
Energy: 0.8129121331862086
Energy: 0.8492821868863901
Energy: 0.895916309771337
Energy: 0.8255030925476728
Energy: 0.8129121331875823
Energy: 0.8492821868939703
Energy: 0.8959163097674196
Energy: 0.7974982716615628
Energy: 0.8469387027987573
Energy: 0.8899146710059781
Energy: 0.87935946497519
Energy: 0.7974982716772321
Energy: 0.8469387027962135
Energy: 0.8899146709973296
Energy: 0.8135869215516818
Energy: 0.8014728541462195
Energy: 0.8775056305031335
Energy: 0.8011545448125788
Energy: 0.8135869215544799
Energy: 0.8014728541610239
Energy: 0.877505630505372
Energy: 0.7974707790392231
Energy: 0.8134514965257679
Energy: 0.8426666370638951
Energy: 0.8641303523722514
Energy: 0.797470779040088
Energy: 0.813451496511523
Energy: 0.8426666370649636
Energy: 0.8044477634668306
Energy: 0.8009469535895315
Energy: 0.8541094259006208
Energy: 0.8082961271740053
Energy: 0.8044477634542136
Energy: 0.8009469535879035
Energy: 0.8541094259039785
Energy: 0.8067710357463864
Energy: 0.7951860031865925
Energy: 0.8837965748531689
Energy: 0.8499799000339594
Energy: 0.8067710357346345
Energy: 0.7951860032025668
Energy: 0.8837965748456396
Energy: 0.8044600555462368
Energy: 0.7992362819967493
Energy: 0.8564041460857312
Energy: 0.7969904097993382
Energy: 0.8044600555369776
Energy: 0.7992362819945108
Energy: 0.8564041460798806
Energy: 0.8066002791729967
Energy: 0.7820329483100399
Energy: 0.8607390964218676
Energy: 0.8503250493637068
Energy: 0.8066002791640429
Energy: 0.7820329482944214
Energy: 0.8607390964252254
Energy: 0.797367865722603
Energy: 0.7998239633964385
Energy: 0.8754065242284933
Energy: 0.7972681293760484
Energy: 0.7973678657128351
Energy: 0.7998239633966928
Energy: 0.875406524218166
Energy: 0.8066734600015906
Energy: 0.8211718780913023
Energy: 0.9067608422685861
Energy: 0.8624561607783283
Energy: 0.8066734600094252
Energy: 0.8211718780949653
Energy: 0.9067608422725033
Energy: 0.7973090538460155
Energy: 0.8451622857657072
Energy: 0.8731406436848608
Energy: 0.8324572532622125
Energy: 0.7973090538577673
Energy: 0.8451622857573131
Energy: 0.8731406436820627
Energy: 0.8087717736347644
Energy: 0.8458430852492796
Energy: 0.9059131554177817
Energy: 0.8706596596279664
Energy: 0.8087717736401062
Energy: 0.8458430852461764
Energy: 0.9059131554233271
Energy: 0.7963222950821374
Energy: 0.8194626596815878
Energy: 0.9860922177512172
Energy: 0.8310843208663947
Energy: 0.7963222950782199
Energy: 0.8194626596779249
Energy: 0.9860922177486735
Energy: 0.8057586037875589
Energy: 0.8374459825890433
Energy: 0.8857541594866559
Energy: 0.8758583620281059
Energy: 0.8057586037906623
Energy: 0.8374459825772914
Energy: 0.8857541594846718
Energy: 0.7951537254890764
Energy: 0.829024658928134
Energy: 0.9832630904834248
Energy: 0.8011965185576252
Energy: 0.7951537254873975
Energy: 0.8290246589364776
Energy: 0.9832630904691799
Energy: 0.7738067570048747
Energy: 0.8512259802531625
Energy: 0.8862162883593163
Energy: 0.8761589873659543
Energy: 0.7738067570040097
Energy: 0.851225980243649
Energy: 0.8862162883632336

minimum gb energy = 0.7733745136719437 eV
minimum distance =  2.46825043176645 Angstroms
sigma value = 365


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

Energy: 0.7903738697271906
Energy: 0.6849410445397189
Energy: 0.9005648092793491
Energy: 0.6849410445384573
Energy: 0.7903738697202511
Energy: 0.6849410445416116
Energy: 0.8051556058833682
Energy: 0.7903738697278214
Energy: 0.6849410445378264
Energy: 0.8533321192659116
Energy: 0.6849410445409807
Energy: 0.7903738697278214
Energy: 0.6849410445403499
Energy: 0.755878388778835
Energy: 0.7903738697271906
Energy: 0.6849410445403499
Energy: 0.9005648092825034
Energy: 0.6849410445409807
Energy: 0.7903738697265598
Energy: 0.6849410445409807
Energy: 0.8048914578637846
Energy: 0.7903738697278214
Energy: 0.6849410445384573
Energy: 0.852307436124991
Energy: 0.6849410445428733
Energy: 0.790373869720882
Energy: 0.6849410445403499
Energy: 0.8533321192646498
Energy: 0.7903738697278214
Energy: 0.6849410445371955
Energy: 0.7561457384148578
Energy: 0.6849410445409807
Energy: 0.7903738697265598
Energy: 0.6849410445416116
Energy: 0.7561457384400636
Energy: 0.7903738697278214
Energy: 0.6849410445409807
Energy: 0.8533321192665425
Energy: 0.6849410445403499
Energy: 0.7903738697265598
Energy: 0.6849410445403499
Energy: 0.756017613001378
Energy: 0.7903738697265598
Energy: 0.6849410445397189
Energy: 0.8048264284771651
Energy: 0.6849410445384573
Energy: 0.7903738697202511
Energy: 0.6849410445409807
Energy: 0.9005648092825034
Energy: 0.7903738697278214
Energy: 0.6849410445384573
Energy: 0.8533321192671731
Energy: 0.6849410445378264
Energy: 0.7903738697278214
Energy: 0.6849410445409807
Energy: 0.7560176130083176
Energy: 0.7903738697271906
Energy: 0.6849410445403499
Energy: 0.8051556058776905
Energy: 0.6849410445409807
Energy: 0.7903738697265598
Energy: 0.6849410445378264
Energy: 0.756145738418643
Energy: 0.7903738697284522
Energy: 0.6849410445403499
Energy: 0.8051556058776905
Energy: 0.6849410445390882
Energy: 0.7903738697202511
Energy: 0.6849410445378264
Energy: 0.945546096242478
Energy: 0.7903738697278214
Energy: 0.6849410445409807
Energy: 0.7561457384224282
Energy: 0.6849410445384573
Energy: 0.7903738697265598
Energy: 0.6849410445409807
Energy: 0.7561457384356761
Energy: 0.7903738697278214
Energy: 0.6849410445384573
Energy: 0.7558783879111695
Energy: 0.6849410445416116
Energy: 0.7903738697271906
Energy: 0.6849410445422426
Energy: 0.7558783878222465
Energy: 0.7903738697271906
Energy: 0.6849410445378264
Energy: 0.7558783878626217
Energy: 0.6849410445403499
Energy: 0.7903738697202511
Energy: 0.6849410445422426
Energy: 0.90056480927998
Energy: 0.7903738697278214
Energy: 0.6849410445403499
Energy: 0.7558783878771028
Energy: 0.6849410445409807
Energy: 0.7903738697284522
Energy: 0.6849410445416116
Energy: 0.7558783877875777
Energy: 0.7903738697278214
Energy: 0.6849410445422426
Energy: 0.7558783877692826
Energy: 0.6849410445384573
Energy: 0.7903738697265598
Energy: 0.6849410445409807
Energy: 0.7558783876967622
Energy: 0.7903738697278214
Energy: 0.6849410445403499
Energy: 0.7558783877755912
Energy: 0.6849410445403499
Energy: 0.790373869720882
Energy: 0.6849410445365647
Energy: 0.90056480927998
Energy: 0.7903738697278214
Energy: 0.6849410445403499
Energy: 0.7558783877188424
Energy: 0.6849410445422426
Energy: 0.7903738697265598
Energy: 0.6849410445409807
Energy: 0.7558783876355971
Energy: 0.7903738697278214
Energy: 0.6849410445384573
Energy: 0.75587838760847
Energy: 0.6849410445371955
Energy: 0.7903738697278214
Energy: 0.6849410445359339
Energy: 0.7558783875321929
Energy: 0.7903738697271906
Energy: 0.6849410445428733
Energy: 0.7558783876040827
Energy: 0.6849410445403499
Energy: 0.7903738697196202
Energy: 0.6849410445428733
Energy: 0.8533321192671731
Energy: 0.7903738697284522
Energy: 0.6849410445390882
Energy: 0.7558783875693852
Energy: 0.6849410445397189
Energy: 0.7903738697278214
Energy: 0.6849410445371955
Energy: 0.7558783874911869

minimum gb energy = 0.6849410445359339 eV
minimum distance =  2.56161213603839 Angstroms
sigma value = 23