Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pt__MO_637493005914_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.921837165951729
cohesive_energy=5.850593855970826
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6330986430362e-19, 2.6181168376194e-19, 3.45329947339092e-19, 4.1868880888004996e-19, 4.832933772928319e-19, 5.409044446982039e-19, 5.925570172017299e-19, 6.38984891701782e-19, 6.807536365501619e-19, 7.18307054674488e-19, 7.52012044523946e-19, 7.821778261888979e-19, 8.090847805802939e-19, 8.33034116905326e-19, 8.54293398661872e-19, 8.72891465029344e-19, 8.88818702947938e-19, 9.0223372790442e-19, 9.13303166268726e-19, 9.22153589994942e-19, 9.28892344917546e-19, 9.33609152928042e-19, 9.3638412285813e-19, 9.37294159186242e-19, 9.363072183796979e-19, 9.33094854228528e-19, 9.272276833948199e-19, 9.18188202825792e-19, 9.05356370164086e-19, 8.87987173274892e-19, 8.651817910665359e-19, 8.358555499577999e-19, 7.98625771513542e-19, 7.51715641846656e-19, 6.929894595040201e-19, 6.198068373928019e-19, 5.2882243070120995e-19, 4.1574721258002597e-19, 2.7505687799521795e-19, 9.95836091215968e-20, -1.199586495938382e-19, -3.9635446660208997e-19, -7.471606536761939e-19, -1.196013642044562e-18, -1.77620505998508e-18, -2.53562076273474e-18, -3.5452964557152e-18, -4.912273559844e-18, -6.804332012233619e-18, -9.5000262424713e-18, -1.347448173136974e-17, -1.9598625675405e-17, -2.96003735308134e-17, -4.725203416058159e-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: -1.26270300404689e-25 eV

========================================
theta = 0.0
========================================

Energy: 0.02168919761804538
Energy: 0.026442822105267064
Energy: 0.12572309177092256
Energy: 0.12520388755735676
Energy: 0.025562409761616122
Energy: 0.023197002905793632
Energy: 0.12414816746068282
Energy: 0.1258980759389884
Energy: 0.12484141518645049
Energy: 0.024751376510262872
Energy: 0.02914112499628802
Energy: 0.12368704477587535
Energy: 0.1249793783067465
Energy: 0.12492598092592272
Energy: 0.12635573271995196
Energy: 0.12403360817210994
Energy: 0.12344414656640512
Energy: 0.12460937164635252
Energy: 0.12458533366874171
Energy: 0.12561724829763773
Energy: 0.12692628199064687
Energy: 0.025715925421572337
Energy: 0.022141724642649574
Energy: 0.12378077365660159
Energy: 0.1244276362567716
Energy: 0.12621750895756387
Energy: 0.02472227813590413
Energy: 0.022267352189059328
Energy: 0.12362715473734008
Energy: 0.12521042466374518
Energy: 0.12452911859129019
Energy: 0.023513674239368135
Energy: 0.023316365447802145
Energy: 0.12496572630331751
Energy: 0.12389360543410537
Energy: 0.12568781936652101
Energy: 0.023555138088829197
Energy: 0.022455570444870912
Energy: 0.12270155773005398
Energy: 0.1235761932579109
Energy: 0.12429220695334804
Energy: 0.12476229871997861
Energy: 0.12684718655956032
Energy: 0.02367704532813194
Energy: 0.022449480762590446
Energy: 0.12392349791903293
Energy: 0.1256188150683241
Energy: 0.12685944512439606
Energy: 0.024510728106383904
Energy: 0.12298656122094093
Energy: 0.12635576122540762
Energy: 0.12362577466269767
Energy: 0.12479554984493786
Energy: 0.023279961828169424
Energy: 0.02701234945867323
Energy: 0.1250471220764921
Energy: 0.12340618358843232
Energy: 0.12554242709307845
Energy: 0.023938312654468136
Energy: 0.028115239137364675
Energy: 0.028265473974029537
Energy: 0.12679453166883606
Energy: 0.12407447320295836
Energy: 0.12469481464830828
Energy: 0.12765039750692161
Energy: 0.0280103873498862
Energy: 0.127256197434344
Energy: 0.12405369087130307
Energy: 0.12540268729044007
Energy: 0.12669270672610974

minimum gb energy = 0.02168919761804538 eV
minimum distance =  2.73697626867081 Angstroms
sigma value = 3


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

Energy: 1.1045085030228934
Energy: 0.9679180959804043
Energy: 0.9375644756479944
Energy: 0.8965784902219166
Energy: 0.9590514338337829
Energy: 0.9852850943620103
Energy: 0.8975589272255314
Energy: 0.9206182957247498
Energy: 0.9202354756194489
Energy: 0.9738269673969857
Energy: 0.8134494066160227
Energy: 0.9937775749193115
Energy: 0.9120154940959012
Energy: 0.8265131168420601
Energy: 0.8994846756691479
Energy: 0.8602850850556113
Energy: 0.9068992533858304
Energy: 0.9102392791915405
Energy: 0.8440481426304854
Energy: 0.9222544888902362
Energy: 0.9255592533757449
Energy: 1.0837226871963743
Energy: 0.9139081421121784
Energy: 0.914177577824681
Energy: 0.9048791996524942
Energy: 0.8640563102994859
Energy: 1.0460822614738279
Energy: 1.009146254552801
Energy: 0.9091408085743221
Energy: 0.9097616738642968
Energy: 0.9145925652538361
Energy: 0.935635734978814
Energy: 0.9447901006825493
Energy: 0.8605460564257779
Energy: 0.9106202699751629
Energy: 0.8643261780188856
Energy: 0.9411048669591958
Energy: 0.9455541912668739
Energy: 0.9090486072196877
Energy: 0.909085749288224
Energy: 0.852520994475337
Energy: 0.9895878462126297
Energy: 1.0026860703519893
Energy: 1.0024296109135098
Energy: 0.891885211428945
Energy: 1.0160615387877283
Energy: 0.9950695671743058
Energy: 1.001406168315994
Energy: 1.0002393701283732
Energy: 0.8646007077581028
Energy: 0.9934058088524961
Energy: 0.9899198709987233
Energy: 1.0079981957919755
Energy: 0.889497432516962
Energy: 1.0884793664938126
Energy: 0.9959447619115539
Energy: 0.9894222260464852
Energy: 0.9927230895979406
Energy: 0.8912010924920033
Energy: 0.9929743568995879
Energy: 0.9196044006695003
Energy: 0.9310386031381572
Energy: 1.0263654911173905
Energy: 0.8738768938784862
Energy: 0.9356170808159194
Energy: 0.9189824917145158
Energy: 0.9216475665928863
Energy: 1.0113473223364697
Energy: 0.8892978565682188
Energy: 0.9253675342096943
Energy: 0.918876392689612
Energy: 0.9206617449587265
Energy: 0.9809992030611258
Energy: 0.7822870246073906
Energy: 0.9404374679742964
Energy: 0.9185925320334665
Energy: 0.9219801567175918
Energy: 1.0006337501865517
Energy: 0.971340058943879
Energy: 0.9374799610661319
Energy: 0.8512834946101929
Energy: 0.8507231430908485
Energy: 0.8983793993226389
Energy: 0.8545558626372332
Energy: 0.939203492099564
Energy: 0.8556438750221499
Energy: 0.8527581782405443
Energy: 0.7930381075733689
Energy: 0.9287505821601106
Energy: 0.9392545243086927
Energy: 1.0115826076849463
Energy: 0.9081629198344615
Energy: 0.9009661419105559
Energy: 0.9184875835594432
Energy: 0.9396821046685041
Energy: 0.9013399618751852
Energy: 0.9054349425843998
Energy: 0.9065449222226376
Energy: 0.9139717234610438
Energy: 0.9449842094450009
Energy: 1.0162195286144875
Energy: 0.9142635483029224
Energy: 0.9057735731605746
Energy: 0.8934568331350753
Energy: 0.864508249698199
Energy: 1.0069109486006453
Energy: 0.9067954818256094
Energy: 0.908512350551284
Energy: 0.8868695116090377
Energy: 0.8690410738434415
Energy: 1.0672320429105935
Energy: 0.8713852948663694
Energy: 0.9067565134544526
Energy: 0.90629842369141
Energy: 0.9400599438485182
Energy: 0.8921934603074732
Energy: 0.9019332624718552
Energy: 0.9035759218158261
Energy: 0.9353995452141121
Energy: 0.9388354827331118
Energy: 0.9927961266155699
Energy: 0.9056705278976742
Energy: 0.9935961930898292
Energy: 0.9980726317470544
Energy: 0.9917525695625902
Energy: 1.0205033575447777
Energy: 0.9057014833537109
Energy: 0.9974115116430765
Energy: 1.0059681210795421
Energy: 0.986157357593985
Energy: 0.9148111425090235
Energy: 0.8819116634458174
Energy: 0.9242824707487501
Energy: 0.9402505222606535
Energy: 1.0018298962355543
Energy: 0.9029480270806066
Energy: 0.9133108595072597
Energy: 0.9220524212194273
Energy: 0.9406352582307573
Energy: 1.0130308365885166
Energy: 1.075198424319601
Energy: 0.9199426475483573
Energy: 0.9491436269865522
Energy: 0.9212681157739538
Energy: 0.962006318107625
Energy: 0.9822847984041105
Energy: 0.9197728465213859
Energy: 0.9495615027414208
Energy: 0.9287894456691697
Energy: 0.9611806500967861
Energy: 0.7807669138397472
Energy: 0.989851513186214
Energy: 0.9334883863343332
Energy: 0.853717925601866
Energy: 0.9020527314676668
Energy: 0.7809746574828081
Energy: 0.921801698197976
Energy: 0.9342156089733243
Energy: 0.8518932210237147
Energy: 0.8859999063430898
Energy: 0.8897117880605314
Energy: 1.0451706971326948
Energy: 0.8970531058476372
Energy: 0.9105359707707025
Energy: 0.9067410129118829
Energy: 0.9146878523053755
Energy: 0.9214954559322861
Energy: 0.9123362384283714
Energy: 0.9201469815323196
Energy: 0.9146412115231274
Energy: 0.8971694024640495
Energy: 0.8943852943945584
Energy: 0.9253717199941651
Energy: 0.8925972712418739
Energy: 0.8032627932097947
Energy: 0.9033479033418929
Energy: 0.8954788317463656
Energy: 0.9268209894516302
Energy: 0.8886118795561534
Energy: 0.8030089231835819
Energy: 0.9173539053280564
Energy: 0.94892423573619
Energy: 0.9893354873073555
Energy: 0.9994108008674405
Energy: 0.9140442944209903
Energy: 1.0042854445180234
Energy: 0.9469334960091046
Energy: 1.002880360181351
Energy: 1.0461464087566388
Energy: 0.9080265950758682
Energy: 0.9935909717876757
Energy: 0.9960577619834223
Energy: 0.9878161600703779
Energy: 0.9051383140601497
Energy: 1.0017588035445228
Energy: 0.9943131486673049
Energy: 1.0141016900093713
Energy: 0.994434272328878
Energy: 0.9169009826000966
Energy: 1.0034575273162671
Energy: 0.9196949036807878
Energy: 0.9208316775804769
Energy: 1.0700316601570128
Energy: 0.8742015457863359
Energy: 0.9371348885121805
Energy: 0.9207912675513324
Energy: 0.9232393089310922
Energy: 0.9901488755374616
Energy: 0.8735171518330821
Energy: 0.9279814225327826
Energy: 0.9348574340143966
Energy: 0.9219069342758615
Energy: 1.0060786455251716
Energy: 0.7824461700759952
Energy: 0.9405614634379628
Energy: 0.9357872859912578
Energy: 0.9216918784611179
Energy: 0.9791585976530633
Energy: 1.0131481237326558
Energy: 0.9376227644223445
Energy: 0.854558938633332
Energy: 0.8498874548043841
Energy: 0.7910366804041028
Energy: 0.9844926751456766
Energy: 0.93911343680888
Energy: 0.853145738510122
Energy: 0.8503036318220251
Energy: 0.7909764553109476
Energy: 0.9365426182653225
Energy: 0.9346654134541246
Energy: 0.9140579724618512
Energy: 0.905924373145731
Energy: 0.8973993662478873
Energy: 0.8968113941640928
Energy: 0.9440010469567593
Energy: 0.9125235753408942
Energy: 0.9038511867081949
Energy: 0.9024101307756026
Energy: 0.9006042814631469
Energy: 0.942301297216516
Energy: 1.0034452732187782
Energy: 0.8897837240925625
Energy: 0.9012386616611907
Energy: 0.8934771513698242
Energy: 0.8634376371427188
Energy: 0.9087057190275565
Energy: 0.894863252595737
Energy: 0.9142341671732102
Energy: 0.8827316014987552
Energy: 0.8644673029907367
Energy: 1.0043713028511232
Energy: 0.8847604056819156
Energy: 0.8791096051161731
Energy: 0.8488534247433447
Energy: 0.9378211577409575
Energy: 0.9762671810511264
Energy: 0.8625874142362657
Energy: 0.9106155942340695
Energy: 0.9445973010229728
Energy: 0.9352152617376468
Energy: 1.0280801875004275
Energy: 0.9417503954107961
Energy: 1.0353669393049212
Energy: 1.0006027326576514
Energy: 0.9969082169943745
Energy: 0.972735244039811
Energy: 1.0012334004791201
Energy: 0.9787160269478209
Energy: 0.9958122424564676
Energy: 0.9970991764276169
Energy: 0.9191860084617335
Energy: 0.9124100643069902
Energy: 0.9042673979220638
Energy: 0.9840982263362781
Energy: 0.974597535833122
Energy: 0.860398207686088
Energy: 0.8872479567600999
Energy: 0.8252831806949683
Energy: 1.0057631639311337
Energy: 0.9945003991039278
Energy: 0.8039918967014299
Energy: 0.8997186566126543
Energy: 0.927437611982456
Energy: 0.9092165452699897
Energy: 0.9831466553467896
Energy: 0.9824022352222064
Energy: 0.9086821546544186
Energy: 0.909718884408593
Energy: 0.9083278541240952
Energy: 0.9936006486092982

minimum gb energy = 0.7807669138397472 eV
minimum distance =  2.53848776893333 Angstroms
sigma value = 75


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

Energy: 1.4330699784861873
Energy: 0.9361166173405392
Energy: 0.9633872187193886
Energy: 0.9535129277249067
Energy: 0.9194023481994695
Energy: 0.8727977071321529
Energy: 0.9387242155142296
Energy: 0.9733997581727528
Energy: 0.9881950421419576
Energy: 0.9340169653241056
Energy: 0.9998397216782483
Energy: 0.9934013999690192
Energy: 0.9828765121106265
Energy: 0.9737514330930921
Energy: 0.8514047409939905
Energy: 0.9047029658400495
Energy: 0.8897236367756658
Energy: 0.9366499598115532
Energy: 0.9973745367791166
Energy: 0.924112287663746
Energy: 0.9872446259174625
Energy: 0.9703533073170781
Energy: 1.1225854446426962
Energy: 0.9418589736168923
Energy: 0.9488306317898242
Energy: 0.9108020801878609
Energy: 0.9702096853603694
Energy: 1.1274000859233388
Energy: 0.9161446292845407
Energy: 0.951264379179925
Energy: 0.923921294574084
Energy: 0.9346068782801601
Energy: 0.9761994756273802
Energy: 0.9188598627636583
Energy: 0.9552567792938312
Energy: 0.941883009287635
Energy: 0.9194090946411024
Energy: 0.8905027195889205
Energy: 0.9737685450147846
Energy: 0.955444736338084
Energy: 0.8842439220839946
Energy: 0.8861897076059922
Energy: 0.8977598739884881
Energy: 1.007364758845795
Energy: 0.8640857885492454
Energy: 0.8994300679086126
Energy: 0.8789272723089167
Energy: 0.9242188411003885
Energy: 0.893814721493683
Energy: 0.9482564823106436
Energy: 0.8772718762750465
Energy: 0.885146936815498
Energy: 0.9499594363054414
Energy: 0.9499424993599088
Energy: 0.9704797515501522
Energy: 0.8722798135481136
Energy: 0.8762098849328531
Energy: 0.9657138828157008
Energy: 1.0052899090346614
Energy: 0.9901528460300555
Energy: 0.9098653874823547
Energy: 0.974116763300362
Energy: 0.8925742936605271
Energy: 0.9219280360989455
Energy: 0.9492743414167678
Energy: 0.9035734748868256
Energy: 0.9486295367370459
Energy: 0.892079543543878
Energy: 0.9480144732010117
Energy: 0.905924320558538
Energy: 0.9549764525544043
Energy: 0.972006321895145
Energy: 0.9707255527160795
Energy: 1.1242093077056314
Energy: 0.9500637628399099
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Energy: 0.9751541671092108
Energy: 0.970610683119068
Energy: 1.1262169527901007
Energy: 0.9300874361867685
Energy: 0.9469442344075095
Energy: 0.9106768464881487
Energy: 0.9331874955007714
Energy: 0.9028476222478673
Energy: 0.9623971841492035
Energy: 0.950313160354799
Energy: 0.9096606292993663
Energy: 0.9181975688037105
Energy: 0.914210947999902
Energy: 0.976632079066304
Energy: 0.9007541813454503
Energy: 0.8959130571969589
Energy: 0.9033210518232414
Energy: 1.1198052997461971
Energy: 1.016796366488479
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Energy: 0.9159418758946286
Energy: 0.9133319249663953
Energy: 0.9604657349492253
Energy: 0.9807555620479207
Energy: 0.9797812928776709
Energy: 0.8945345866400265
Energy: 0.8987396438549052
Energy: 0.9769888130626635
Energy: 0.974007549605288
Energy: 0.9773207416917701
Energy: 0.9113485081084574
Energy: 0.9150978606960798
Energy: 0.9922985257301205
Energy: 1.0031169094741943
Energy: 0.9676859241877477
Energy: 0.8991651476339382
Energy: 0.9569071735546484
Energy: 0.890850780408946
Energy: 0.9834615219782853
Energy: 0.937140523077337
Energy: 0.8979609730282052
Energy: 0.9292181884170001
Energy: 0.9013113638027734
Energy: 0.9465273982674547
Energy: 0.9658928940399552
Energy: 0.9597130951005369
Energy: 0.9656886006837762
Energy: 1.1207598489335104
Energy: 0.9668236965446637
Energy: 0.9154392518045443
Energy: 0.9598956606886578
Energy: 0.9772442357388638
Energy: 1.1217025124191577
Energy: 0.9340379474624776
Energy: 0.9318295837076062
Energy: 0.9184485869076081
Energy: 0.894201201443519
Energy: 0.9085487004407101
Energy: 0.9136300840852537
Energy: 0.9592546127216531
Energy: 0.9284343854313841
Energy: 0.9411041151741715
Energy: 0.8984939042268866
Energy: 0.9543846945789151
Energy: 0.9153008222464631
Energy: 1.00183419685089
Energy: 0.8863350442724456
Energy: 0.8835217251647931
Energy: 1.1389600017393378
Energy: 1.0047143945058556
Energy: 1.0016769681775466
Energy: 0.8837525095705586
Energy: 0.8803499810170854
Energy: 0.979225513387419
Energy: 0.978495445776947
Energy: 0.8925631198614166
Energy: 0.88762536895054
Energy: 0.885702802990464
Energy: 0.9792516953927355
Energy: 0.9450999177944233
Energy: 0.9077336249957658
Energy: 0.8904193955464418
Energy: 0.8838884286015581
Energy: 0.9776295955511766
Energy: 0.9731685887932892
Energy: 0.9197581139939218
Energy: 0.9094592926945853
Energy: 0.9480237040309105
Energy: 0.9573707087119616
Energy: 0.941044852150269
Energy: 0.9190884120254059
Energy: 0.9023341265002381
Energy: 0.9069156346715134
Energy: 0.9507757844773741
Energy: 0.9476405493754888
Energy: 0.9551590564212995
Energy: 0.9605238691063496
Energy: 0.9513335633911196
Energy: 0.9625389784290467
Energy: 0.9681227962365746
Energy: 0.9551011254986501
Energy: 0.9614084257849296
Energy: 0.9840492086114435
Energy: 0.9173931714809492
Energy: 0.904593362773795
Energy: 0.9220696856350354
Energy: 0.9138053426454364
Energy: 0.9266883510609294
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minimum gb energy = 0.8514047409939905 eV
minimum distance =  2.52672084555305 Angstroms
sigma value = 105


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

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Energy: 0.951444629159537
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Energy: 0.9259945962284546
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Energy: 0.915644378966784
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Energy: 0.9029023553619341
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Energy: 0.9114815097441746
Energy: 0.9641315982046822
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Energy: 0.9988047316197565
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Energy: 0.9019891796770946
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Energy: 0.9953000996657553
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Energy: 0.8945097428168707
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Energy: 0.9874587395153263
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Energy: 0.9062034572996358
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Energy: 0.9155396210308511
Energy: 0.9162438894183429
Energy: 0.9040977976921344
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Energy: 0.9071319396995605
Energy: 0.8960526664363837
Energy: 0.9145300005199316
Energy: 0.9249748310323163
Energy: 1.0044901492083769
Energy: 0.9408804118107421
Energy: 0.8960598966249964
Energy: 0.9059775126131553
Energy: 0.9065897361609899
Energy: 1.007393138375267
Energy: 0.9341528948919441
Energy: 0.9103414324771898
Energy: 0.9136369681318987
Energy: 0.904105552615424
Energy: 0.9341114992010215
Energy: 0.9224829980294973
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Energy: 0.9121704480555822
Energy: 0.9391174976182102
Energy: 0.9238904784721521
Energy: 0.915171060261024
Energy: 0.9271235961549256
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Energy: 0.9372503865523222
Energy: 0.9954995951523276
Energy: 0.9153741970089987
Energy: 0.9274654532850453
Energy: 0.9444269291413466
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Energy: 0.9493568069449408
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Energy: 0.9340665347758048
Energy: 0.9041971388948464
Energy: 0.9237679556075825
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Energy: 0.9359632629654878
Energy: 0.914326987395334
Energy: 0.9070137509558729
Energy: 0.967814023306419
Energy: 0.9558512236771005
Energy: 0.9466502230800545
Energy: 0.9130075205143989
Energy: 0.9205266527095065
Energy: 0.9184283758276307
Energy: 0.9609763347974237
Energy: 0.930537191861903
Energy: 0.914415556358356
Energy: 0.910130381369504
Energy: 0.9519383982717043
Energy: 0.9102645371244238
Energy: 0.9140247231824865
Energy: 0.9014999268069831
Energy: 0.9411215404732394
Energy: 0.9218492033206616
Energy: 0.9109225634715276
Energy: 0.91369209908439
Energy: 0.9009798811561548
Energy: 0.9360564421087617
Energy: 0.9276989348900788
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Energy: 0.9118185283843343
Energy: 0.915380536005464
Energy: 0.9542169001291403
Energy: 0.9142041749721438
Energy: 0.9110836138719384
Energy: 0.9107353568998281
Energy: 0.9323756323846625
Energy: 0.9560751885358949
Energy: 0.8940272672217782
Energy: 0.9415971643994577
Energy: 0.9218183140625185
Energy: 0.937652464359333
Energy: 0.9380489999199946
Energy: 0.9060097096545897
Energy: 0.9676394565386337
Energy: 0.9245087495090941
Energy: 0.9513086457778531
Energy: 0.9422231025102128
Energy: 0.908961823086368
Energy: 0.9427805183303886
Energy: 0.9732101360498898
Energy: 0.947250209685645
Energy: 0.9140886874760032
Energy: 0.8913305249200137
Energy: 0.933054100579598
Energy: 0.9380365008367961
Energy: 0.950600741805559
Energy: 0.913160257975471
Energy: 0.9093381038625223
Energy: 0.9547932880632567
Energy: 0.985573406986808
Energy: 0.9818731392811607
Energy: 0.9157009131857512
Energy: 0.8879934020460951
Energy: 0.940953285314032
Energy: 0.9608576366849366
Energy: 0.9418048028836811
Energy: 0.962650942046935
Energy: 0.9231940255046471
Energy: 0.9643097254317946
Energy: 0.9091491049491189
Energy: 0.9057550717604325
Energy: 0.960115593169397
Energy: 0.9305469911641356
Energy: 0.9666870802209031
Energy: 0.9114327285532957
Energy: 0.9089238958482412
Energy: 0.9129856362061743
Energy: 0.9580671460454087
Energy: 0.9094565267918485
Energy: 0.907212092255175
Energy: 0.890730451580081
Energy: 0.9830094095787117
Energy: 0.9446095105868348
Energy: 0.9013015530729497
Energy: 0.9099169677366828
Energy: 0.9096397089626772
Energy: 0.979044569856399
Energy: 0.9402531051067611
Energy: 0.897122693691561
Energy: 0.946806379414429
Energy: 0.8962947216130341
Energy: 0.9976916179228871
Energy: 0.9203578053608311
Energy: 0.9063547843084745
Energy: 0.9553679654802899
Energy: 0.8959492471166368
Energy: 1.0226759791559914
Energy: 0.9223977303931362
Energy: 0.9194239194432974
Energy: 0.9341107820872313
Energy: 0.9358459159118677
Energy: 0.8918318968091387
Energy: 0.8958320473665319
Energy: 0.9111699197925276
Energy: 0.9253696935030005
Energy: 0.9289507929261552
Energy: 0.9298404221493278
Energy: 0.9231969820317085
Energy: 0.9170402964010091
Energy: 0.9216467374597326
Energy: 0.9116152469803808
Energy: 0.9007995771880866
Energy: 0.9226899591626305
Energy: 0.8946949336418818
Energy: 0.9080527047654454
Energy: 0.8982024719624728
Energy: 0.9587559519901369

minimum gb energy = 0.8876115682948178 eV
minimum distance =  2.53796545945743 Angstroms
sigma value = 165


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

Energy: 1.1323663690605268
Energy: 0.8887565325157455
Energy: 0.8738193038307918
Energy: 0.8797839764812434
Energy: 0.8554905102994034
Energy: 1.1313810520906074
Energy: 0.8763328158226196
Energy: 0.8730870517497273
Energy: 0.8735427264097342
Energy: 0.8534321255381412
Energy: 0.8544537913678407
Energy: 0.8702406326115331
Energy: 0.8715551545627522
Energy: 0.8582593927772609
Energy: 0.8730264428969648
Energy: 0.8846098285308043
Energy: 0.8716318522444195
Energy: 0.8626697138121949
Energy: 0.858677723172125
Energy: 0.8736288812849639
Energy: 0.8595136234591408
Energy: 0.8726059842534143
Energy: 0.8719546641454872
Energy: 0.8624618029422467
Energy: 0.8525831908937539
Energy: 0.8597428344605728
Energy: 0.8606791764419559
Energy: 0.8600838584717555
Energy: 0.862711571228852
Energy: 0.8487791876516292
Energy: 0.8936779219097327
Energy: 0.858628725046067
Energy: 0.860561191232593
Energy: 0.8603974925910923
Energy: 0.857910495793344
Energy: 0.8746579684436652
Energy: 0.8592351926841842
Energy: 0.8606553687830079
Energy: 0.8603604252312753
Energy: 0.8481870909728464
Energy: 0.8740810448113703
Energy: 0.8682056560560604
Energy: 0.8598383300551661
Energy: 0.8734578532167304
Energy: 0.8754563193379765
Energy: 0.8659358744476309
Energy: 0.8550097334992608
Energy: 0.859278312184196
Energy: 0.876420535226205
Energy: 0.8766186202092711
Energy: 0.8962319541830748
Energy: 0.9180561634707054
Energy: 0.8605340682387612
Energy: 0.8515327688026514
Energy: 0.906089300914801
Energy: 0.8539384221188858
Energy: 0.9195009270299783
Energy: 0.8743579950838921
Energy: 0.8516327736918334
Energy: 0.8617228622857444
Energy: 0.8729429359115378
Energy: 0.8736049296425895
Energy: 0.8792494571659497
Energy: 0.887903140118854
Energy: 0.8730787181490496
Energy: 0.8805475648625526
Energy: 0.8724083149667431
Energy: 0.8809307320159858
Energy: 0.8892743615293233
Energy: 0.8722155596606974
Energy: 0.8582274700606553
Energy: 0.8595225945463304
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Energy: 0.8635742500802163
Energy: 0.8740435259727988
Energy: 0.8543461091627144
Energy: 0.859852871867916
Energy: 0.8621598970937916
Energy: 0.8600327162687003
Energy: 0.8547312464249451
Energy: 0.8559987250466139
Energy: 0.8779878743676641
Energy: 0.8725778571390278
Energy: 0.8610031922376818
Energy: 0.8600707751849139
Energy: 0.85443727600083
Energy: 0.8747717460493076
Energy: 0.8905121483878241
Energy: 0.8599168851028672
Energy: 0.8474173788735985
Energy: 0.8717030552728309
Energy: 0.8795422606221189
Energy: 0.8606217524793774
Energy: 0.8602746307201556
Energy: 0.8828273263139731
Energy: 0.8679145543847948
Energy: 0.8799270438639271
Energy: 0.8594756770675295
Energy: 0.860291483946273
Energy: 0.8808685343841072
Energy: 0.8872754400523433
Energy: 0.8596528178154336
Energy: 0.8610462469832723
Energy: 0.8593583886800018
Energy: 0.8489601780940679
Energy: 0.8611106398305746
Energy: 0.8591940450535088
Energy: 0.8611673910050018
Energy: 0.8662218794945215
Energy: 0.8492121162985651
Energy: 0.8605425740112307
Energy: 0.8615063780934816
Energy: 0.8617316461649526
Energy: 0.8602195453018393
Energy: 0.9023875690308591
Energy: 0.8617270248293759
Energy: 0.8609221369569453
Energy: 0.8615828296087298
Energy: 0.8585211108868563
Energy: 0.9036676908143155
Energy: 0.8659500828795027
Energy: 0.8537852881848496
Energy: 0.8604661146219607
Energy: 0.8775680844404855
Energy: 0.87075654265567
Energy: 0.8559717789922886
Energy: 0.8530918493466373
Energy: 0.8605692822781709
Energy: 0.8830394124768977
Energy: 0.8720374268347423
Energy: 0.8614606490466982
Energy: 0.8785499397013637
Energy: 0.8729487602634414
Energy: 0.8621185110977917
Energy: 0.8596030233792886
Energy: 0.8680589367662856
Energy: 0.8769125234372717
Energy: 0.8900792796870746
Energy: 0.8696128153269249
Energy: 0.8601223820689821
Energy: 0.8544273821111892
Energy: 0.8619635977171369
Energy: 0.8820696082618028
Energy: 0.8733004725875473
Energy: 0.8713991661769435
Energy: 0.8964368479829782
Energy: 0.8608491362569811
Energy: 0.8834633814437343
Energy: 0.8753195024945691
Energy: 0.8729468225283916

minimum gb energy = 0.8474173788735985 eV
minimum distance =  2.57721455599272 Angstroms
sigma value = 41


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

Energy: 1.1290427905084262
Energy: 0.8015412542395985
Energy: 0.8112679836449717
Energy: 0.807786708222447
Energy: 0.7850613205238536
Energy: 0.7772514581165777
Energy: 0.8424986639080371
Energy: 0.823613420860292
Energy: 0.8031031395234223
Energy: 0.800445802665377
Energy: 0.795786741723478
Energy: 0.8006943487305646
Energy: 0.7940779625254096
Energy: 0.7965834947739575
Energy: 0.8035227232289028
Energy: 0.8207884932166372
Energy: 0.7848824658379975
Energy: 0.7970673197907905
Energy: 0.7997933544716652
Energy: 0.7986676019771192
Energy: 0.7889228173562302
Energy: 0.783408136652231
Energy: 0.8216925912948394
Energy: 0.79671734558448
Energy: 0.8032116655933976
Energy: 0.7766220532815408
Energy: 0.7985439490397377
Energy: 0.8080666596578581
Energy: 0.834531279674222
Energy: 0.7978507351913824
Energy: 0.7851365900625689
Energy: 0.7875514702984363
Energy: 0.7974067996602204
Energy: 0.7810884147689746
Energy: 0.9031067716882301
Energy: 0.7772642932380988
Energy: 0.7976717755195025
Energy: 0.7913833952337568
Energy: 0.7893038808191432
Energy: 0.9024784680911995
Energy: 0.8158298514887965
Energy: 0.7935858256837931
Energy: 0.7955602462018732
Energy: 0.7910181460990242
Energy: 0.8023933820573108
Energy: 0.8065993174435369
Energy: 0.7917735365653897
Energy: 0.7917065852681845
Energy: 0.7886990489819088
Energy: 0.8036137875797927
Energy: 0.8004961455400269
Energy: 0.8431936660416742
Energy: 0.8028462665897265
Energy: 0.7780235958749763
Energy: 0.7820589644553987
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Energy: 0.7968781127961628
Energy: 0.8049242517343527
Energy: 0.8555123886166278
Energy: 0.7907246741058964
Energy: 0.8054127185873123
Energy: 0.7905515239362211
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Energy: 0.7823296377109871
Energy: 0.799288372539725
Energy: 0.804741622350471
Energy: 0.7903232232245853
Energy: 0.7900909143089166
Energy: 0.8731172558652021
Energy: 0.8062395259353433
Energy: 0.996870065354039
Energy: 0.7922884042695101
Energy: 0.7926736117594403
Energy: 0.7959281890173026
Energy: 0.795942249839154
Energy: 0.9868483866580197
Energy: 0.7920348522322797
Energy: 0.7939012616026362
Energy: 0.809591402911485
Energy: 0.7896223078769046
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Energy: 0.7984273823926898
Energy: 0.916513149899035
Energy: 0.7920593295288847
Energy: 0.7907404379136252
Energy: 0.800535479637545
Energy: 0.8077437851660945
Energy: 0.9446996698703617
Energy: 0.8015259009994552
Energy: 0.7908374800908462
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Energy: 0.7942669598296981
Energy: 0.8072040959579948
Energy: 0.8119847411905509
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Energy: 0.7960750417755732
Energy: 0.7943628572746468
Energy: 0.8122680712616562
Energy: 0.8042369629110175
Energy: 0.8116914351944875
Energy: 0.7980560256303189
Energy: 0.7991935467880545
Energy: 0.8101672056422693
Energy: 0.9851142876131244
Energy: 0.8114790661547651
Energy: 0.7981679803219002
Energy: 0.8343619337837169
Energy: 0.8209526274835699
Energy: 0.982171760225518
Energy: 0.8023473776537543
Energy: 0.8077800720959292
Energy: 0.8176608514872608
Energy: 0.7952924085882731
Energy: 0.8184302605964657
Energy: 0.792465965298584
Energy: 0.8249684818181262
Energy: 0.837175130147975
Energy: 0.7959631495460874
Energy: 0.8219022078809298
Energy: 0.7987125658026976
Energy: 0.876219833385193
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Energy: 0.7708306789927096
Energy: 0.7893931697670538
Energy: 0.8066286996065495
Energy: 0.8302859974247248
Energy: 0.8134996509783938
Energy: 0.806400905894358
Energy: 0.7890993288731117
Energy: 0.8192080826476402
Energy: 0.8077284947087385
Energy: 0.8075255576018556
Energy: 0.7694487612903578
Energy: 0.7694048304294121
Energy: 0.8172942241631785
Energy: 0.8089359028937999
Energy: 0.8714618646009052
Energy: 0.7694696739135242
Energy: 0.7802918386408234
Energy: 0.8024810167824873
Energy: 0.8021857469539067
Energy: 0.7922377246368757
Energy: 0.7916926929609656
Energy: 0.7942789962336825
Energy: 0.8029190643573453
Energy: 0.8013665863855941
Energy: 0.7933269591168118
Energy: 0.7928586579990914
Energy: 0.7941178500871694
Energy: 0.8645214226766822
Energy: 0.8021444684298248
Energy: 0.7977725199944117
Energy: 0.7771437118560682
Energy: 0.7998660012027635
Energy: 0.8624840288652807
Energy: 0.8029639512414024
Energy: 0.7979885678245734
Energy: 0.7762920247334174
Energy: 0.8000333827231633
Energy: 0.799269393352244
Energy: 0.7895363113230204
Energy: 0.7802897614299876
Energy: 0.7965675787091056
Energy: 0.7976885934741365
Energy: 0.7976981214911915
Energy: 0.7893611435067465
Energy: 0.7805693389352234
Energy: 0.7975173353951103
Energy: 0.8011443917317465
Energy: 0.7886078073321705
Energy: 0.8005346423225912
Energy: 0.8744614560825353
Energy: 0.8529806673982789
Energy: 0.7992097608262565
Energy: 0.7885474806916526
Energy: 0.7883666881938448
Energy: 0.8488375333467125
Energy: 0.8204038148451522
Energy: 0.8452813898203162
Energy: 0.8417810104974011
Energy: 0.7990352865336634
Energy: 0.7823897548195066
Energy: 0.7900053173609375
Energy: 0.8429074112294013
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Energy: 0.7925159929435613
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Energy: 0.819560960796505
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Energy: 0.7899909458486721
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Energy: 0.8041631406058733
Energy: 0.814948930807753
Energy: 0.7891973265573531
Energy: 0.810330818181511
Energy: 0.8035345397093628
Energy: 0.8275295862921505
Energy: 0.8155563577410663
Energy: 0.8042665510296477
Energy: 0.798460994030599
Energy: 0.7918656879731727
Energy: 0.8256670779290498
Energy: 0.8368116655598726
Energy: 0.7750843987958791
Energy: 0.7704649507341064
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Energy: 0.8776417275644749
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Energy: 0.7907692254269035
Energy: 0.878206369347875
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Energy: 0.7684875051020507
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Energy: 0.8002211887613188
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Energy: 0.77351265053403
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Energy: 0.8065804428577789
Energy: 0.8023197385491551
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Energy: 0.8285444187618698
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Energy: 0.7844231610930567
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Energy: 0.8257002737131702
Energy: 0.7988931006844477
Energy: 0.8021540935477159
Energy: 0.7891022985100283
Energy: 0.7765168552880652
Energy: 0.7977978517266529
Energy: 0.8014984542741668
Energy: 0.7887937014719357
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Energy: 0.7993400047037947
Energy: 0.8309186593123812
Energy: 0.8004552443173965
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Energy: 0.8176229505405417
Energy: 0.7987681807697201
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Energy: 0.8171607389681829
Energy: 0.796705246736047
Energy: 0.7957513457346589
Energy: 0.7885423817969933
Energy: 0.7887854660396149
Energy: 0.9038261790076242
Energy: 0.8010790226282445
Energy: 0.7884858875522597
Energy: 0.8102171173325637
Energy: 0.8003856726187263
Energy: 0.7826563267191167
Energy: 0.7974168296801659
Energy: 0.7853266635818282
Energy: 0.8169483170047444
Energy: 0.7911930352789185
Energy: 0.8256679119008824
Energy: 0.806250074188256
Energy: 0.85121689560577
Energy: 0.797585514214526
Energy: 0.7896404531300125
Energy: 0.8111725335834928
Energy: 0.8098291231534923
Energy: 0.7922542477063638
Energy: 0.7937147472012567
Energy: 0.7899498834190625
Energy: 0.8113477719118878
Energy: 0.7908062248093454
Energy: 0.7804705190868375
Energy: 0.7790616829889072
Energy: 0.7999280526398207
Energy: 0.8098965200482228
Energy: 0.8005522341422593
Energy: 0.7806593761915549
Energy: 0.7923125910346149
Energy: 0.8008669474176625
Energy: 0.8155067716389228
Energy: 0.7909966232509066
Energy: 0.8213150921252351
Energy: 0.7974750364182747
Energy: 0.9421172750242908
Energy: 0.8039234001970522
Energy: 0.7905684429405013
Energy: 0.8201660418558174
Energy: 0.7990230840107709
Energy: 0.7845686820812944
Energy: 0.8031706023463363
Energy: 0.8230882708188849
Energy: 0.7950903134393987
Energy: 0.7914670681256079
Energy: 0.7984901223677029
Energy: 0.8039965532018267
Energy: 0.7833042084920084
Energy: 0.7963128722725618
Energy: 0.7923229940013232
Energy: 0.7961964687954679
Energy: 0.8020549559779983
Energy: 0.8594341747860228
Energy: 0.8210843153215839
Energy: 0.7928353679478582
Energy: 0.8234240700673325
Energy: 0.799603450723737
Energy: 0.811562754395953
Energy: 0.8148268700455515
Energy: 0.8025593294880975
Energy: 0.8257432915022279
Energy: 0.8007067840856743
Energy: 0.8395954561865705
Energy: 0.8078016336595376
Energy: 0.8218930461823087
Energy: 0.7939667610916376
Energy: 0.7875855852730994
Energy: 0.7951246161463877
Energy: 0.802617299144219
Energy: 0.8221884497259542
Energy: 0.8034009250944729
Energy: 0.7981760259931457
Energy: 0.7989046001338896
Energy: 0.874764879121167
Energy: 0.8357577517297315
Energy: 0.7801303915156164
Energy: 0.9350711274047221
Energy: 0.7820307662991541
Energy: 0.8683679660239365
Energy: 0.7953488868123667
Energy: 0.7890543501986461

minimum gb energy = 0.7682733239723671 eV
minimum distance =  2.60039006148414 Angstroms
sigma value = 185


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

Energy: 0.36262021436752206
Energy: 0.3642610307472123
Energy: 0.44935229632847634
Energy: 0.4247969321363004
Energy: 0.30984662039840777
Energy: 0.3090032674082525
Energy: 0.4461609743304129
Energy: 0.4912767532115234
Energy: 0.4226981125926362
Energy: 0.36454437348761737
Energy: 0.34181735631582155
Energy: 0.4531990655916787
Energy: 0.44773031911761846
Energy: 0.4448254011167102
Energy: 0.454216866799379
Energy: 0.4683090774223874
Energy: 0.4617527197871456
Energy: 0.4477353028279907
Energy: 0.4599800507713454
Energy: 0.42715235335166535
Energy: 0.4296331516619646
Energy: 0.44809754866272106
Energy: 0.44815535326110983
Energy: 0.4210599523760948
Energy: 0.3112194134892017
Energy: 0.43641095090685367
Energy: 0.4544621157361428
Energy: 0.45409865775344016
Energy: 0.43473187090741927
Energy: 0.3103749530407554
Energy: 0.3090298773499256
Energy: 0.49793189348141575
Energy: 0.45554990101104936
Energy: 0.43119679524873533
Energy: 0.31621499756881155
Energy: 0.30995135110576316
Energy: 0.4973946935665629
Energy: 0.45608835921439544
Energy: 0.4202970373945027
Energy: 0.31575503482741707
Energy: 0.44136413597250723
Energy: 0.4977926343152342
Energy: 0.45516310597624093
Energy: 0.4540114987056514
Energy: 0.457180265380956
Energy: 0.4610586360224492
Energy: 0.4962832743794193
Energy: 0.45503830305550697
Energy: 0.45404687510381625
Energy: 0.4503510007694436
Energy: 0.46344517086271725
Energy: 0.4565772757112355
Energy: 0.4926214826509904
Energy: 0.30928487482469463
Energy: 0.3370995121887263
Energy: 0.4691438468953022
Energy: 0.4550726142883707
Energy: 0.49243743087850567
Energy: 0.30913153143430644
Energy: 0.33830572209446813
Energy: 0.4994253268499896
Energy: 0.45354203636877866
Energy: 0.43505560817128225
Energy: 0.309685671858351
Energy: 0.3094135799741996
Energy: 0.5015083862400295
Energy: 0.45376459874311076
Energy: 0.43520076690888376
Energy: 0.30948735652651677
Energy: 0.4516624043684002
Energy: 0.4971248807335392
Energy: 0.4301350103866837
Energy: 0.4345235284462219
Energy: 0.45834341722452987
Energy: 0.49580544517810965
Energy: 0.4967990331379415
Energy: 0.4302045230010441
Energy: 0.43467677257525333
Energy: 0.4573356753625993
Energy: 0.4973717161481017
Energy: 0.4965652316957039
Energy: 0.4267166693064422
Energy: 0.30901826482381073
Energy: 0.3093066472456514
Energy: 0.4551838784813863
Energy: 0.4979984947243416
Energy: 0.42659557419571614
Energy: 0.31521137304946195
Energy: 0.3095122887615456
Energy: 0.4549253342552185
Energy: 0.45335854579916923
Energy: 0.4496178502173923
Energy: 0.32042072330910076
Energy: 0.44341246146082186
Energy: 0.45268975071270806
Energy: 0.4535538806626435
Energy: 0.4511031099285122
Energy: 0.31961208826300574
Energy: 0.4746767770087698
Energy: 0.45299611643626997
Energy: 0.4289253732120993
Energy: 0.4601221708212107
Energy: 0.3205558343793526
Energy: 0.4539181424856655
Energy: 0.45858540444501983
Energy: 0.427903926261203
Energy: 0.3377277797375915
Energy: 0.32064009313473546
Energy: 0.45266218558239
Energy: 0.49638580133815396
Energy: 0.43042969941821124
Energy: 0.30984502768879535
Energy: 0.30910019163746477
Energy: 0.4526948701696623
Energy: 0.4541064806709038
Energy: 0.42870320435245046
Energy: 0.3092567081639819
Energy: 0.3090484223910704
Energy: 0.45275334776132486
Energy: 0.45463361338286573
Energy: 0.450318986047755
Energy: 0.43747906005059267
Energy: 0.4363706261371761
Energy: 0.46318415527095586
Energy: 0.4537119413241708
Energy: 0.44959465678213006
Energy: 0.43429010191744366
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Energy: 0.4540707595891727
Energy: 0.45459136148774104
Energy: 0.3091968468232573
Energy: 0.30941816584870047
Energy: 0.43625844563040334
Energy: 0.45481408951143
Energy: 0.4975427523322478
Energy: 0.30967185621957016
Energy: 0.3093993871553649
Energy: 0.4373541036196295
Energy: 0.45669445070385717
Energy: 0.49797100319790566
Energy: 0.33744637609417916
Energy: 0.3093298329546205
Energy: 0.44644168745242385
Energy: 0.4533902806523059
Energy: 0.4583772864859395
Energy: 0.33661073313709294
Energy: 0.3092724513862515
Energy: 0.48780549084073216
Energy: 0.44753790580433
Energy: 0.45567502845423224
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Energy: 0.4782008569959671
Energy: 0.450208694335945
Energy: 0.46286064747416045
Energy: 0.44142394590673145
Energy: 0.43493908140702453
Energy: 0.4886281512739369
Energy: 0.4519297154724429
Energy: 0.45607026500955594
Energy: 0.4302441354602292
Energy: 0.3680336257819051
Energy: 0.447405000942965
Energy: 0.4910002016043826
Energy: 0.4491582570893899
Energy: 0.30922427809143416
Energy: 0.314399833554641
Energy: 0.4479574056765561
Energy: 0.49178616866836955
Energy: 0.44849575790255297
Energy: 0.36381817958212187
Energy: 0.3810165453837551
Energy: 0.44682765412799647
Energy: 0.8786464493949434
Energy: 0.44608232873453396
Energy: 0.429041588587578
Energy: 0.33686420232987324
Energy: 0.45364910564220895
Energy: 0.44705039426196236
Energy: 0.4445515353399261
Energy: 0.42708178312819167
Energy: 0.451916331914349
Energy: 0.4913394480196075
Energy: 0.4508580419418202
Energy: 0.4227330156508958
Energy: 0.337781019857943
Energy: 0.46056736885711264
Energy: 0.49726083007217103
Energy: 0.4583212983297357
Energy: 0.422907908554105
Energy: 0.3385251707612089
Energy: 0.3093170103638825
Energy: 0.4466759828092117
Energy: 0.4620378252678378
Energy: 0.45796363945831325
Energy: 0.3087610885224389
Energy: 0.30961005040323164
Energy: 0.45348107810434063
Energy: 0.43371151060983887
Energy: 0.309594312847472
Energy: 0.30805047174752537
Energy: 0.4433702983107582
Energy: 0.4979788388302271
Energy: 0.45364370758342276
Energy: 0.45391799787423226
Energy: 0.4600613596834596
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Energy: 0.4527623632859827
Energy: 0.4518371531260733
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Energy: 0.4973920620767728
Energy: 0.426783705197583
Energy: 0.3104286187796501
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Energy: 0.45408851761404345
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Energy: 0.4276017591816418
Energy: 0.31041986478154876
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Energy: 0.45395792564818616
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Energy: 0.30905110832868904
Energy: 0.5004712500357501
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Energy: 0.49648587106741005
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Energy: 0.46005873769447525
Energy: 0.4621263563548469
Energy: 0.4972172733711631
Energy: 0.49378563509612905
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Energy: 0.3101750336375807
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Energy: 0.3104859187560921
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Energy: 0.33494214040517667
Energy: 0.31018580280739205
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Energy: 0.4536222596037423
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Energy: 0.31051490327536047
Energy: 0.31017373985583346
Energy: 0.5002415156969068
Energy: 0.436315156474664
Energy: 0.43568769061207013
Energy: 0.45926387294489246
Energy: 0.49297430193929515
Energy: 0.45578707134569285
Energy: 0.4321129925850569
Energy: 0.4351162811937841
Energy: 0.4601646958349023
Energy: 0.49408365567888335
Energy: 0.4970095634030916
Energy: 0.4287784170523013
Energy: 0.3091414790917504
Energy: 0.3159747542466761
Energy: 0.45320978848485644
Energy: 0.496454430331487
Energy: 0.4270054390216262
Energy: 0.30893427359903897
Energy: 0.3089529584907163
Energy: 0.45369266479296133
Energy: 0.4967202123526704
Energy: 0.4490363432956713
Energy: 0.435010832101183
Energy: 0.31212694226945065
Energy: 0.4540314155818712
Energy: 0.453216226143068
Energy: 0.44890009318139207
Energy: 0.434085246857709
Energy: 0.4375977305433975
Energy: 0.4535028540953182
Energy: 0.45402464984951924
Energy: 0.4119706587694549
Energy: 0.3366531633702475
Energy: 0.43624221668053664
Energy: 0.49714477922058353
Energy: 0.4545716484578205
Energy: 0.43034697584667336
Energy: 0.3195899561298504
Energy: 0.45492309726156144
Energy: 0.4973082130607745
Energy: 0.4303504462905491
Energy: 0.3104079814007953
Energy: 0.31278388407155716
Energy: 0.45272464200880436
Energy: 0.4532153529127453
Energy: 0.43060868441224676
Energy: 0.3096183301061149
Energy: 0.3151637441282855
Energy: 0.45311982224490344
Energy: 0.44744542846022906
Energy: 0.4229976331852441
Energy: 0.4372250634024815
Energy: 0.4531843511410361
Energy: 0.45746260913467773
Energy: 0.4544685627250549
Energy: 0.4507490772699339
Energy: 0.45385216322737754
Energy: 0.45569862607491557
Energy: 0.45640339182163736
Energy: 0.448194013735228
Energy: 0.43367521195661035
Energy: 0.3644132539198426
Energy: 0.43085800498821236
Energy: 0.4519800147504422
Energy: 0.4920713732769242
Energy: 0.4508551287330297
Energy: 0.30926409657976967
Energy: 0.4309353040242895
Energy: 0.44981940292978156
Energy: 0.49103515359059485
Energy: 0.3646076730086787

minimum gb energy = 0.30805047174752537 eV
minimum distance =  2.62061331099978 Angstroms
sigma value = 33


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

Energy: 1.2200150138283397
Energy: 0.7234383002290581
Energy: 0.7220435040848958
Energy: 0.7363952387501504
Energy: 0.6823171299043556
Energy: 0.778785943942333
Energy: 0.704728366712783
Energy: 0.7227662183051209
Energy: 0.7375670721611496
Energy: 0.6835166186206258
Energy: 0.6868739636742118
Energy: 0.7051765898536014
Energy: 0.7246464325659049
Energy: 0.7213125047330436
Energy: 0.7037651400938447
Energy: 0.6875472655905287
Energy: 0.758643320312035
Energy: 0.7244766989242134
Energy: 0.7211887279574114
Energy: 0.7036042624969614
Energy: 0.7165336008848961
Energy: 0.7215246595254217
Energy: 0.7230049508600657
Energy: 0.7572360987307025
Energy: 0.6795882178131362
Energy: 0.7041426132760824
Energy: 0.7214149760998002
Energy: 0.7235091803044366
Energy: 0.7714874218357503
Energy: 0.6798827170850051
Energy: 0.7580332790967158
Energy: 0.737498617987866
Energy: 0.7280506031832589
Energy: 0.7033791802119043
Energy: 0.6783962792461583
Energy: 0.7471724031342537
Energy: 0.7388244698173662
Energy: 0.7221709967611836
Energy: 0.7035694419245686
Energy: 0.6805423465700056
Energy: 0.7022750707096679
Energy: 0.7039625025270475
Energy: 0.7364143803777885
Energy: 0.6864236099319913
Energy: 0.7181557331978737
Energy: 0.7023288302955142
Energy: 0.7045698546634787
Energy: 0.7361382797732384
Energy: 0.6864942089849939
Energy: 0.7186777793314019
Energy: 0.7025098244518146
Energy: 0.7019354808404985
Energy: 0.7615776610023922
Energy: 0.7273512405125029
Energy: 0.6791953623946114
Energy: 0.7027396367860775
Energy: 0.7022353114305715
Energy: 0.7617842365376891
Energy: 0.7027475128110544
Energy: 0.6798542819023785
Energy: 0.7984946820163266
Energy: 0.7039748159767322
Energy: 0.7042473492993283
Energy: 0.7268456894343054
Energy: 0.7599632434264982
Energy: 0.7967934925707869
Energy: 0.7038330472621839
Energy: 0.7041212170712527
Energy: 0.7356296388038868
Energy: 0.7570110021592791
Energy: 0.6867472911824861
Energy: 0.7025954389040883
Energy: 0.6810644384587863
Energy: 0.688502288058833
Energy: 0.6864149987785811
Energy: 0.6867576473624256
Energy: 0.7023948359042
Energy: 0.6807533251335565
Energy: 0.6884588401917062
Energy: 0.686450852995788
Energy: 0.6864069878367177
Energy: 0.6824666727011413
Energy: 0.6798267080974695
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Energy: 0.6863506839030467
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Energy: 0.704265852319101
Energy: 0.7632070435593241
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Energy: 0.7025302631808689
Energy: 0.683988408499835
Energy: 0.7155001361210801
Energy: 0.7976446392772537
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Energy: 0.7026836114316143
Energy: 0.7187821582154522
Energy: 0.686964875915524
Energy: 0.7359977954729331
Energy: 0.7487315273194461
Energy: 0.7027007541425305
Energy: 0.7187833575077567
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Energy: 0.7363853462831362
Energy: 0.7071954100003193
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Energy: 0.6787771959544145
Energy: 0.703047322442413
Energy: 0.7222280512329678
Energy: 0.7484017099666136
Energy: 0.720257086600233

minimum gb energy = 0.6767987015777557 eV
minimum distance =  2.54645707650083 Angstroms
sigma value = 219


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

Energy: 1.2425243082050663
Energy: 0.8693665505476869
Energy: 0.9063207413466097
Energy: 0.9156410433704284
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Energy: 0.9066071537089428
Energy: 0.8722858359387821
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Energy: 0.9055507389845023
Energy: 0.9120497746089895
Energy: 0.967792028952515
Energy: 0.8641400190187859
Energy: 0.9066838097387699
Energy: 0.9054507934187358
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Energy: 0.8649225532282288
Energy: 0.9956201570039397
Energy: 0.9306035760044908
Energy: 0.905865774958062
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Energy: 0.8649266369419008
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Energy: 0.9307621803570965
Energy: 0.9060925580861001
Energy: 0.8707228672803611
Energy: 0.8657137011493061
Energy: 0.8694409876400688
Energy: 0.8727324752622935
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Energy: 0.8705589416793467
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Energy: 0.8695676127945855
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Energy: 0.9225744609133318
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Energy: 0.8717243463276592
Energy: 0.8722787342928158
Energy: 0.8703914225505625
Energy: 0.8683271923081924
Energy: 0.9032640606593482
Energy: 0.9247994480454941
Energy: 0.8726236477575204
Energy: 0.8727448736981813
Energy: 0.8686806097708474
Energy: 0.9069051975906662
Energy: 0.8718674176425242
Energy: 0.8694645515405853
Energy: 0.8735083203553669
Energy: 0.8693466270891337
Energy: 0.9262540905511908
Energy: 0.871832161372633
Energy: 0.8712173824562592
Energy: 0.858168960445119
Energy: 0.8728736188096169
Energy: 0.9054186631754311
Energy: 0.9054227650925059
Energy: 0.8706576176750945
Energy: 0.8590478556921645
Energy: 0.8710792195159088
Energy: 0.9069004424760368
Energy: 0.9073277101187086
Energy: 0.8699350309939407

minimum gb energy = 0.8578666947883132 eV
minimum distance =  2.5592940353478 Angstroms
sigma value = 15


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

Energy: 1.4927984408281598
Energy: 1.0238129556696092
Energy: 1.0721199028049218
Energy: 1.025603014152471
Energy: 1.0024127869950443
Energy: 1.0025002014616555
Energy: 1.0416405981536712
Energy: 1.0630583330953878
Energy: 1.0368700304760083
Energy: 1.0064379406303963
Energy: 1.0343583247032457
Energy: 1.022741026489267
Energy: 1.0684198291685392
Energy: 1.0653090900451023
Energy: 1.0302161752387033
Energy: 1.0430052180869969
Energy: 1.0189395860694606
Energy: 1.0669768196381422
Energy: 1.0730770156697362
Energy: 1.024125365334409
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minimum gb energy = 1.0002454615832732 eV
minimum distance =  2.51911096714146 Angstroms
sigma value = 293


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

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Energy: 1.0271712977511176
Energy: 1.0560414811771517
Energy: 1.1011791941470206
Energy: 1.0095225784358532
Energy: 1.0739891523260878
Energy: 1.0035685485945622
Energy: 1.05788166298764
Energy: 1.0384561244234594
Energy: 1.008129105781929
Energy: 1.0504936829593474
Energy: 1.023958125854641
Energy: 1.0554123791955525
Energy: 1.0396049769540712
Energy: 1.0130845235696115
Energy: 1.0484268288197802
Energy: 1.0265762994327672
Energy: 1.0541807586286551
Energy: 1.0007729094323703
Energy: 1.0080774915647663
Energy: 1.0842387918220187
Energy: 1.0533172918618838
Energy: 1.0414511877686599
Energy: 1.000382632299811
Energy: 1.0176759609153778
Energy: 1.0327491144086722
Energy: 1.0494895652361598
Energy: 1.04035662287648
Energy: 1.0152902666152346
Energy: 1.0418914641293568
Energy: 1.0327231141901383
Energy: 1.0249762286366118
Energy: 0.9894059076028322
Energy: 1.0132613590567938
Energy: 1.0114306375735682
Energy: 1.03394563370984
Energy: 1.0307426459837319
Energy: 0.990155996185759
Energy: 1.0397213513839494
Energy: 1.0225822079146216
Energy: 1.0348147439159325
Energy: 1.0375454497500307
Energy: 1.033132925966238
Energy: 1.0370295705734003
Energy: 1.0136452551332182
Energy: 1.0354313914583966
Energy: 1.0374459284512947
Energy: 1.0141044858250066
Energy: 1.047627455279118
Energy: 1.0256734204863796
Energy: 1.0119995143572031
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Energy: 1.0454189958379314
Energy: 1.023846251188192
Energy: 1.0145116350825225
Energy: 1.0739039825389112
Energy: 1.0099345399164796
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Energy: 1.0245209726956352
Energy: 1.0348581115281472
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Energy: 1.0760026736492354
Energy: 1.024501182119357
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Energy: 1.0477804968649171
Energy: 1.036144606305687
Energy: 1.0404329975457827
Energy: 1.0109320018397494
Energy: 1.0274897472651934
Energy: 1.03243296172219
Energy: 1.0177676261483408
Energy: 1.0379461944479005
Energy: 1.0084401489556514
Energy: 1.0401912614560294
Energy: 1.0334940486199242
Energy: 1.0165267442688841
Energy: 1.0339106725170697
Energy: 1.0166981876327343
Energy: 1.0541218496557583
Energy: 1.0509950433096882
Energy: 1.0381918643130332
Energy: 1.0333594387774405
Energy: 1.0148611609331786
Energy: 1.0532387086084702
Energy: 1.051835869642034
Energy: 1.0348772388765508
Energy: 1.0431065015738037
Energy: 1.0286011973229279
Energy: 1.0313005423464292
Energy: 1.0260505443248709
Energy: 1.033466448198495
Energy: 1.0425949148262104
Energy: 1.030757333828869
Energy: 1.0274610637492687
Energy: 1.0282112379860386
Energy: 1.0364757352811504
Energy: 1.0925504875450474
Energy: 1.0671198083888098
Energy: 1.0626981060079617
Energy: 1.0983664203086716
Energy: 1.0795087579515568
Energy: 1.0221730848167287
Energy: 1.0601082083756874
Energy: 1.043697899911425
Energy: 1.101921857425042
Energy: 1.0695304651388713
Energy: 1.0125194253670864
Energy: 1.0683041665419486
Energy: 1.057419591020686
Energy: 1.0391553353934588
Energy: 1.0480323425794293
Energy: 1.036735517470089
Energy: 1.064840778109749
Energy: 1.055247526723609
Energy: 1.016989545000243
Energy: 1.0487896915517436
Energy: 1.0310886963602597
Energy: 1.0452559699271742
Energy: 1.0497388171986157
Energy: 1.0089828906450835
Energy: 1.0365851258655363
Energy: 1.0313387435435946
Energy: 1.046845501454793
Energy: 1.0437837582925342
Energy: 1.023203820836886
Energy: 1.0402703666440845
Energy: 1.0343312688129718
Energy: 1.0337513428499205
Energy: 0.9861560914040555
Energy: 1.0540408909469097
Energy: 1.0451423333512506
Energy: 1.0331070316175897
Energy: 1.0401378350126294
Energy: 0.9842336273086256
Energy: 1.0539007179599469
Energy: 1.0507646208913555
Energy: 1.0355269409833792
Energy: 1.0354830511400985
Energy: 1.0171781084444702
Energy: 1.0261740880990204
Energy: 1.0112781041201426
Energy: 1.0569315210024122
Energy: 1.040152458780892
Energy: 1.0188394836496817
Energy: 1.0261135227041567
Energy: 1.0107091706126907
Energy: 1.0238560998820234
Energy: 1.0602751747510817
Energy: 1.017939680645656
Energy: 1.02942430139386
Energy: 1.0232639352618718
Energy: 1.0336822876650607
Energy: 1.0598709473557
Energy: 1.025446278122969
Energy: 1.028566345472392
Energy: 1.0174706106455942
Energy: 1.016024404406501
Energy: 1.0172925023754622
Energy: 1.0503191437364863
Energy: 1.0742796568795534
Energy: 0.995190935484857
Energy: 1.0345350926536807
Energy: 1.0388037177162612
Energy: 1.0361571493920545
Energy: 1.0737788800893193
Energy: 1.0091173931899453
Energy: 1.0696850503713196
Energy: 1.024367484770186
Energy: 1.0310034010628126
Energy: 1.0363617871806088
Energy: 1.047216356119952
Energy: 1.0731750500494037
Energy: 1.020079707443465
Energy: 1.0298461983726952
Energy: 1.040163833478482
Energy: 0.9952472790585034
Energy: 1.0500845985945018
Energy: 1.0535916895088515
Energy: 1.0403547624493565
Energy: 1.0509710759514936
Energy: 1.0277617858592216
Energy: 1.0522337646406934
Energy: 1.0534868095562382
Energy: 1.0351364764639814
Energy: 1.0678454474771524
Energy: 1.0830822112467784
Energy: 1.0250557833882976
Energy: 1.0207202989535245
Energy: 1.0494196020190811
Energy: 1.0504380234295385
Energy: 1.0429752814592437
Energy: 1.025919506841702
Energy: 1.0222216171082679
Energy: 1.0370502978305405
Energy: 1.0284372363916279
Energy: 1.0089100482587818
Energy: 1.045179842532418
Energy: 1.1018525699236346
Energy: 1.0992179198373448
Energy: 1.0215828731422254
Energy: 1.0541633668091759
Energy: 1.0157587073355625
Energy: 1.0988264232210876
Energy: 1.0976175066792244
Energy: 1.022415914293742
Energy: 1.061750348734444
Energy: 1.0402104877838507
Energy: 0.9950582047045711
Energy: 1.0470317079038205
Energy: 1.0253206208620893
Energy: 1.059442414582402
Energy: 1.0215929394223457
Energy: 0.9936642202518639
Energy: 1.0511334549456044
Energy: 1.0258015037450472
Energy: 1.0663914325935304
Energy: 1.021332506048243
Energy: 1.0229678315566004
Energy: 1.025664418573241
Energy: 1.0373664332393198
Energy: 1.004571633251368
Energy: 1.04470697190911
Energy: 1.0304831415458353
Energy: 1.0211581855571643
Energy: 1.061515952128142
Energy: 1.0317350588410812

minimum gb energy = 0.9732055655806129 eV
minimum distance =  2.51406880311135 Angstroms
sigma value = 293


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

Energy: 0.9756617138374755
Energy: 0.9712522595685492
Energy: 0.9763744442384302
Energy: 1.0230532405044925
Energy: 0.970914807918303
Energy: 0.9749672599183612
Energy: 0.9919371106518214
Energy: 0.9749488191902015
Energy: 1.0227768707041678
Energy: 0.9710121804969443
Energy: 0.9510494425187427
Energy: 0.9919495980408177
Energy: 0.9826455322002353
Energy: 0.9980643928571022
Energy: 1.0169359736540167
Energy: 0.9770965143923995
Energy: 0.9907266967156703
Energy: 0.9806532510784962
Energy: 0.9982832242876981
Energy: 1.0180304168830874
Energy: 0.9967324467716535
Energy: 1.003515503332238
Energy: 0.9907670030585474
Energy: 0.9737621033219155
Energy: 0.9823890202873439
Energy: 0.997070727826813
Energy: 0.9990295411765899
Energy: 0.9927109752414797
Energy: 0.9754862748464403
Energy: 0.9879027452829358
Energy: 1.0036892188366242
Energy: 0.9543387063559182
Energy: 0.9738078175974336
Energy: 0.9960935780201439
Energy: 0.9908873778387047
Energy: 1.0054836131690918
Energy: 0.9606250374314563
Energy: 0.9718331252735063
Energy: 0.9970162826587877
Energy: 0.9769013918036605
Energy: 1.0207981922066902
Energy: 0.972274859180462
Energy: 0.9739475823854638
Energy: 0.97516196450783
Energy: 0.9952140382973997
Energy: 1.0161337503772236
Energy: 0.9718443008178447
Energy: 0.9725224216813567
Energy: 0.9796502724589518
Energy: 0.9950179485270562
Energy: 0.9966612267956818
Energy: 0.9773207292080037
Energy: 1.0000415807217078
Energy: 0.9855352764657747
Energy: 0.9790967170861528
Energy: 0.9995679775481601
Energy: 0.9740107610835321
Energy: 1.0223401041270481
Energy: 0.9873586405951088
Energy: 0.9785059629634538
Energy: 0.9970657719060789
Energy: 0.9676606851940419
Energy: 0.9949431525742858
Energy: 0.9915463374863183
Energy: 0.9781034671020907
Energy: 0.996269648448352
Energy: 0.9664459225007536
Energy: 0.994357544091751
Energy: 0.9920654492151207
Energy: 0.9818837404048574
Energy: 1.0180935051656397
Energy: 0.9877439533416745
Energy: 0.993257071328916
Energy: 0.9748924343363012
Energy: 0.9740388346075897
Energy: 1.0210138053041056
Energy: 0.9863995446376517
Energy: 0.9971991761140262
Energy: 0.9763173790876986
Energy: 0.9716103824268425
Energy: 0.9943512683125609
Energy: 0.9818950003105817
Energy: 0.9947711283903137
Energy: 0.9714828346948056
Energy: 0.9879323427183546
Energy: 0.993829124129407
Energy: 0.9957439954160168
Energy: 0.9943618427858115
Energy: 0.9703453501848059
Energy: 0.9907177926142645
Energy: 0.9886858314007245
Energy: 0.9927881251833075
Energy: 0.9963659289022424
Energy: 1.0311804530242465
Energy: 1.0223464991913336
Energy: 0.9884013628034783
Energy: 0.9951014760032068
Energy: 1.0349994914731409
Energy: 1.0266579606306514
Energy: 1.007454237847184
Energy: 0.9521455078112901
Energy: 1.018416807658548
Energy: 1.023325331327521
Energy: 1.0264622086785213
Energy: 0.9887785505994615
Energy: 0.9527725208233506
Energy: 1.0174489201159223
Energy: 0.9807765498562393
Energy: 1.0281511541461024
Energy: 0.9903945832357013
Energy: 0.9755737532071058
Energy: 0.9921690282753405
Energy: 0.9732294558774565
Energy: 1.0202452913093745
Energy: 0.9709073021611587
Energy: 0.9753198900505351
Energy: 1.0194346043282443
Energy: 0.9728420381105922
Energy: 1.0204546417470997
Energy: 0.9709899221693266
Energy: 0.9887059446770791
Energy: 0.9913502594185518
Energy: 0.9811151593636103
Energy: 0.9977200779718294
Energy: 1.0168855692242451
Energy: 0.9868138579948319
Energy: 0.9897104690905768
Energy: 0.9808891018760405
Energy: 0.9976741934571913
Energy: 1.023732321493843
Energy: 0.9971411650276539
Energy: 1.0041623858581865
Energy: 0.9916629857463483
Energy: 0.9724352465917137
Energy: 0.9796760768503479
Energy: 0.9969211070074171
Energy: 0.9988864874517812
Energy: 0.9927175978717598
Energy: 0.9763541134231796
Energy: 0.9892471163189791
Energy: 1.0010845468408351
Energy: 0.9545584389778952
Energy: 0.9727665644899112
Energy: 0.9957253637109882
Energy: 0.9897785420912747
Energy: 0.9947780664507186
Energy: 0.9592912697013823
Energy: 0.9713094751717637
Energy: 0.9968368684556767
Energy: 0.9883889766967423
Energy: 1.0215434670719339
Energy: 0.973149196393081
Energy: 0.974942128791792
Energy: 0.9743063548425428
Energy: 0.9958706013934483
Energy: 1.017986778285451
Energy: 0.9717103765802376
Energy: 0.9721382973917713
Energy: 0.9820935709367489
Energy: 0.9941156286150731
Energy: 0.9967331432568007
Energy: 0.9774575870300114
Energy: 1.0198702698696176
Energy: 0.9846522103090891
Energy: 0.9796900154410544
Energy: 0.9979354213189208
Energy: 0.975151039590252
Energy: 1.0215164488125523
Energy: 0.9866091406208685
Energy: 0.9789832403722968
Energy: 1.0278375873618497
Energy: 0.9677399111247039
Energy: 0.9947200985060368
Energy: 0.9925222604025271
Energy: 0.977635395816817
Energy: 1.0276391005508272
Energy: 0.9656969158295423
Energy: 0.9939068940240307
Energy: 0.9929216653930064
Energy: 0.9797749339293491
Energy: 1.019316688130783
Energy: 0.9875151075353135
Energy: 1.0039808290087422
Energy: 0.9738982981045164
Energy: 0.9735917342030987
Energy: 1.02238252746029
Energy: 0.9855803522604285
Energy: 1.0010977633164124
Energy: 0.9749168923875031
Energy: 0.9712793949708537
Energy: 0.9918871903353671
Energy: 0.98133683601244
Energy: 0.9946035689126576
Energy: 0.9693305132131685
Energy: 0.9862631880047642
Energy: 0.992412525400209
Energy: 0.9952096536778696
Energy: 0.9941685131246458
Energy: 0.9666944314097023
Energy: 0.9931842290697498
Energy: 0.9876720772822836
Energy: 0.9930486958936388
Energy: 0.9926232890351141
Energy: 1.0257979977038463
Energy: 1.0227642417527112
Energy: 0.9887914193963425
Energy: 0.9925530445763372
Energy: 1.01634520962031
Energy: 1.0233244321971051
Energy: 0.9938254663227302
Energy: 0.9534281056078683
Energy: 1.0173565491506675
Energy: 1.024246069660782
Energy: 0.9931907723764141
Energy: 0.9877994311542468
Energy: 0.9542217106178796
Energy: 1.015806654254472
Energy: 0.9814024652433571
Energy: 0.9957076717310586
Energy: 0.9978352761458994

minimum gb energy = 0.9510494425187427 eV
minimum distance =  2.54336760218063 Angstroms
sigma value = 15


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

Energy: 1.5405611053148647
Energy: 1.0649498106320892
Energy: 1.070268835940132
Energy: 1.0542728868376776
Energy: 1.0561352449375063
Energy: 1.054575113212715
Energy: 1.1055769243268811
Energy: 1.0623264377966153
Energy: 1.1042738108918277
Energy: 1.0825118367868207
Energy: 0.9889634562277526
Energy: 1.0780950448626851
Energy: 1.0417140743198188
Energy: 1.0580160521208783
Energy: 1.0710994763545507
Energy: 0.9996701899384716
Energy: 1.0810241996548877
Energy: 1.0464838121648257
Energy: 1.0965092306419024
Energy: 1.0461331934621236
Energy: 1.0897041846975908
Energy: 1.079419121084143
Energy: 1.0840769869333902
Energy: 1.03325099634434
Energy: 1.0567926201531674
Energy: 1.0887256433527919
Energy: 1.0590208657446858
Energy: 1.094057344558208
Energy: 1.0152830881171249
Energy: 1.136578565533073
Energy: 1.0209952025938411
Energy: 1.0131862257522222
Energy: 1.153411154539668
Energy: 1.095682066122993
Energy: 1.1384685991502403
Energy: 1.0266668712775744
Energy: 1.0134439622696285
Energy: 1.1506703504039126
Energy: 1.093633237028065
Energy: 1.1384492203435033
Energy: 1.1432878454288788
Energy: 1.059700412358235
Energy: 1.047835490288446
Energy: 1.0745479382541805
Energy: 1.1077621304039853
Energy: 1.136171105304557
Energy: 1.0604941529148832
Energy: 1.0230405591540122
Energy: 1.0784247826188353
Energy: 1.0449768365140202
Energy: 1.0339317779861317
Energy: 1.0175524728418914
Energy: 1.017668711103426
Energy: 1.0759261180247046
Energy: 1.1901591463389933
Energy: 1.0329510054402622
Energy: 1.0081921304418906
Energy: 1.0185557944248502
Energy: 1.0975296848135419
Energy: 1.1707845191470994
Energy: 1.013461071392516
Energy: 1.0152937045400914
Energy: 1.0145580195539223
Energy: 1.0273005676402738
Energy: 1.070650270274481
Energy: 1.0129570118825015
Energy: 1.009852577926918
Energy: 1.0152405260792285
Energy: 1.0056988089171583
Energy: 1.0367306191527232
Energy: 1.0257596803186908
Energy: 1.0086471765034049
Energy: 1.0075801527365598
Energy: 1.0215445600687967
Energy: 1.081722878634956
Energy: 1.0258317502526073
Energy: 1.0063001742188404
Energy: 1.0223964941093706
Energy: 1.0222338183019806
Energy: 1.0857677562306587
Energy: 1.0240278162416425
Energy: 1.1778712333951455
Energy: 1.074098151510471
Energy: 1.0749182450062982
Energy: 1.0397145445382387
Energy: 1.025097981951568
Energy: 1.1757489997005464
Energy: 1.0739159464418548
Energy: 1.1256417000901509
Energy: 1.0402725916546895
Energy: 1.0804895637482748
Energy: 1.0156440818478014
Energy: 1.0149729483142997
Energy: 1.0066010557236529
Energy: 1.046041752126444
Energy: 1.045665541984352
Energy: 1.0107130477526456
Energy: 1.0027066478980553
Energy: 0.9999973938812146
Energy: 1.0352900700128245
Energy: 1.0401911118857068
Energy: 1.0451536290164805
Energy: 1.032913412773714
Energy: 1.0257112906228558
Energy: 1.0216342590057539
Energy: 1.0988576787289934
Energy: 1.0506622036612825
Energy: 1.030960207462397
Energy: 1.0286160843995855
Energy: 1.0206024177776105
Energy: 1.1719573532677012
Energy: 1.059526888297868
Energy: 1.036424596512896
Energy: 0.9981289156767208
Energy: 1.08761716589809
Energy: 1.1395239488120825
Energy: 1.0620131182565855
Energy: 1.0368981023129908
Energy: 0.9990266343154851
Energy: 1.087001141331624
Energy: 1.0931370560919882
Energy: 1.091722872461568
Energy: 1.07377641406501
Energy: 1.0378862842598915
Energy: 1.0688352975586408
Energy: 1.0926350176492081
Energy: 1.091723800639914
Energy: 1.0709699198158846
Energy: 1.0387063976852826
Energy: 1.0877288945026644
Energy: 1.0711926543304242
Energy: 1.0860017754672526
Energy: 0.9975761866466203
Energy: 1.067082138130504
Energy: 1.0261743894292248
Energy: 1.068977178769613
Energy: 1.0847030448976422
Energy: 0.9852297307619903
Energy: 1.0713890014559606
Energy: 1.056989121971776
Energy: 1.0344514322802305
Energy: 1.0322201946443057
Energy: 1.1151454953016844
Energy: 1.0837682885108366
Energy: 1.0657606464876375
Energy: 1.0263586880930133
Energy: 1.0435526231751768
Energy: 1.1337601962268717
Energy: 1.080421701364989
Energy: 1.0666893185698318
Energy: 1.150582290750833
Energy: 1.1540337664558307
Energy: 1.0621702766930607
Energy: 1.0312559641802677
Energy: 1.0392607538902194
Energy: 1.1487517759932622
Energy: 1.1518345446645484
Energy: 1.0607651463923349
Energy: 1.0314693455536164
Energy: 1.068543453863986
Energy: 1.0238965824828516
Energy: 1.1269701928519247
Energy: 0.9999615314345022
Energy: 1.1396587197857737
Energy: 1.0908414474918569
Energy: 1.0235214202391885
Energy: 1.122279326255917
Energy: 1.1710134248108686
Energy: 1.1384227795380237
Energy: 1.1139662237160393
Energy: 1.0118162693360813
Energy: 1.1695950549498144
Energy: 1.1931663300493682
Energy: 1.0172995999086991
Energy: 1.0224390316498042
Energy: 1.0137566346966398
Energy: 1.1711046158321434
Energy: 1.1951438866148938
Energy: 1.016141757487286
Energy: 1.022108397096884
Energy: 1.0213897336031486
Energy: 1.0559096565534605
Energy: 1.0235441219882118
Energy: 1.0139781954480402
Energy: 1.0119188792064402
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Energy: 1.0448609585535567
Energy: 1.0635348657238988
Energy: 1.0346973078217137
Energy: 1.0261906118735147
Energy: 1.066766162207361
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Energy: 1.0392584825486566
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Energy: 1.0280061358272052
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Energy: 1.003632650736702
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Energy: 1.074446397560123
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Energy: 1.022762908881258
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Energy: 1.1551544583664715
Energy: 1.0291177618057141
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Energy: 1.0882270266589698
Energy: 1.1317228162027042
Energy: 1.123838676550587
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Energy: 1.1910956268340407
Energy: 1.0236809130274287
Energy: 1.0223172626876589
Energy: 1.029663191278367
Energy: 1.006813902995301
Energy: 1.0639065926324474
Energy: 1.0139951593281147
Energy: 1.0226224627585574
Energy: 1.106433327704669
Energy: 1.2875909495921067
Energy: 1.0190366766463523
Energy: 1.0252015867273028
Energy: 1.0228109129567449
Energy: 1.0107843567731252
Energy: 1.0622361554441524
Energy: 1.0160530461872836
Energy: 1.0170846137466871
Energy: 1.014657085250557
Energy: 1.0104084289534416
Energy: 1.0392640157252102
Energy: 1.031697896305452
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Energy: 1.010288579424387
Energy: 1.0181090282700478
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Energy: 1.0309230809210566
Energy: 1.0081294393398175
Energy: 1.0222490382840672
Energy: 1.0267681160293927
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Energy: 1.049550175689769
Energy: 1.0492387896230104
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Energy: 1.0223931030555107
Energy: 1.0395681704123543
Energy: 1.0749996598269604
Energy: 1.0953137072142825
Energy: 1.0156249639754875
Energy: 1.0464052741431735
Energy: 1.0426616443609167
Energy: 1.039589945345681
Energy: 1.0243947072195867
Energy: 1.0374371230101687
Energy: 1.0427347716567734
Energy: 1.0429931748800212
Energy: 1.0369385083638731
Energy: 1.0244472451713968
Energy: 1.0375941990429742
Energy: 1.0367574332937126
Energy: 1.0450062455924214
Energy: 1.0332341770802667
Energy: 1.025944883816029
Energy: 1.0322076733220173
Energy: 1.0865133691758722
Energy: 1.0552656307595722
Energy: 1.0273330749909877
Energy: 1.0264504399482985
Energy: 1.032132246620369
Energy: 1.1710811617695753
Energy: 1.0761775041127832
Energy: 1.03804676270382
Energy: 0.9973931161258078
Energy: 1.1243334395109832
Energy: 1.155612142398598
Energy: 1.076807325013617
Energy: 1.0356047936828447
Energy: 0.9970288524734257
Energy: 1.1264068633984103
Energy: 1.0851617369588265
Energy: 1.036016527691848
Energy: 0.9831793507049825
Energy: 1.0370322362378677
Energy: 1.083407151067726
Energy: 1.0844785817310332
Energy: 1.0304346499566168
Energy: 0.9849459396360093
Energy: 1.0383365218084362
Energy: 1.082712482419624
Energy: 1.073352397008542
Energy: 1.0841621178370233
Energy: 1.0384297246493706
Energy: 1.026281609335719
Energy: 1.0233272192562402
Energy: 1.0699288225120913
Energy: 1.0853321712054187
Energy: 1.0377578647647385
Energy: 1.0231701002326152
Energy: 1.0226050727153457
Energy: 1.0882318498966135
Energy: 1.0213212570454322
Energy: 1.1154162345323515
Energy: 1.081679792087357
Energy: 1.0541961229502859
Energy: 1.0428004107367184
Energy: 1.022325175699834
Energy: 1.1140487409552335
Energy: 1.078805350378219
Energy: 1.0588017670530663
Energy: 1.0562108440958293
Energy: 1.1318683237026
Energy: 1.0615197209616463
Energy: 1.107092125369609
Energy: 1.0526250717656158
Energy: 1.1506296108514888
Energy: 1.1325991077768105
Energy: 1.131501598097861
Energy: 1.1207562724107607
Energy: 1.0114242312328026
Energy: 1.0239051674789317
Energy: 1.090006951623112
Energy: 0.9997359413631661
Energy: 1.147786806235074
Energy: 1.0917899405347076
Energy: 1.0188208955571771
Energy: 1.0720012556174279
Energy: 0.9983398809250317
Energy: 1.1708741224108052
Energy: 1.4091828342550732
Energy: 1.022907300542467
Energy: 1.188577101220322
Energy: 1.1760724772342763
Energy: 1.0115676687140076
Energy: 1.016657549506068
Energy: 1.0156123115222047
Energy: 1.1880801532476903
Energy: 1.1742619542349144
Energy: 1.0170042839070041
Energy: 1.015556045263852
Energy: 1.0131184898616756
Energy: 1.0071518244928603
Energy: 1.0133039807995659
Energy: 1.0123717589828747
Energy: 1.010652119852529
Energy: 1.015282648900215
Energy: 1.004026519326318
Energy: 1.012730994789211
Energy: 1.0127307448594336
Energy: 1.0128359035978292
Energy: 1.0251322383999102
Energy: 1.0947347957094642
Energy: 1.027033024945324
Energy: 1.024651171749885
Energy: 1.00356364184159
Energy: 1.0159140127926733
Energy: 1.0906628681213313
Energy: 1.0322704060033505
Energy: 1.0230991726190595
Energy: 1.004381101415892
Energy: 1.0310172976463738
Energy: 1.021677365716587
Energy: 1.0289078192957706
Energy: 1.022035557762056
Energy: 1.0434531960670583
Energy: 1.04629408405372
Energy: 1.0170503022699293
Energy: 1.024138856469553
Energy: 1.0725013782459953
Energy: 1.0400015107656657
Energy: 1.0068897455190635
Energy: 1.0216869316714579
Energy: 1.025885586825245
Energy: 1.1751161832322652
Energy: 0.9974938811119733
Energy: 1.0174761248530528
Energy: 1.027386552659838
Energy: 1.0301035433428838
Energy: 1.1771248993726398
Energy: 0.9983996132075156
Energy: 1.0097140186467288
Energy: 1.0155790065786319
Energy: 1.0211491886453337
Energy: 1.1044260333639062
Energy: 1.0130477685518147
Energy: 1.0096927416980899
Energy: 1.0193103149135503
Energy: 1.0300797155587702
Energy: 1.041017446024128
Energy: 1.0121178291757604
Energy: 1.015372223199262
Energy: 1.0049295833028098
Energy: 1.142227139889443
Energy: 1.1478488193662295
Energy: 1.001860875725014
Energy: 1.0142981751979012
Energy: 1.0215160718407184
Energy: 1.145162110160314
Energy: 1.0943660553782093
Energy: 1.016254015800243
Energy: 1.0568467980164997
Energy: 1.1081752767109339
Energy: 1.1099384993997696
Energy: 1.0449773320702032
Energy: 1.0288317674567218
Energy: 1.055191928697333
Energy: 1.1010850579004727
Energy: 1.1322544741508653
Energy: 1.0530515120813582
Energy: 1.0373876633012376

minimum gb energy = 0.9831793507049825 eV
minimum distance =  2.52912934755607 Angstroms
sigma value = 437


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

Energy: 1.3222370124414229
Energy: 1.0971105629940894
Energy: 1.015479165157907
Energy: 1.0323449830747355
Energy: 1.0299617567063792
Energy: 1.0611390756857406
Energy: 1.0635008088394693
Energy: 1.0304130081162433
Energy: 1.0662610247042472
Energy: 1.0436756199852153
Energy: 1.0040503791242326
Energy: 1.0106081267398457
Energy: 0.9531358986022943
Energy: 1.0887695090092424
Energy: 1.0280226281225637
Energy: 0.996401041598527
Energy: 1.0069916061506354
Energy: 0.9655646357085446
Energy: 1.0498398993333828
Energy: 0.9613068816393108
Energy: 1.0028339662612225
Energy: 1.005635867711773
Energy: 1.0271745624663298
Energy: 0.9568661489331398
Energy: 0.9527645280978901
Energy: 1.000807887057753
Energy: 1.0059740812256233
Energy: 1.047492930449028
Energy: 0.9478131967063862
Energy: 1.0417310737170489
Energy: 0.9565801411772714
Energy: 0.9522343343005882
Energy: 1.058788438707222
Energy: 0.9953304057512594
Energy: 1.036248633176809
Energy: 0.9572212992208698
Energy: 0.9580139436508553
Energy: 1.0588271660650999
Energy: 0.9967919048648785
Energy: 1.0375147764469674
Energy: 0.9962556590619513
Energy: 1.0451338603413758
Energy: 0.9876055592782704
Energy: 0.9530907726175635
Energy: 1.0055609841622022
Energy: 0.9907448424788717
Energy: 1.0490928249214222
Energy: 0.9881041972576018
Energy: 0.954878528086275
Energy: 1.007909894112115
Energy: 0.9404091319180933
Energy: 0.9688239550236369
Energy: 0.9597146269778883
Energy: 0.9923139978039328
Energy: 1.0265762771079983
Energy: 0.9405406644364511
Energy: 0.9623673337234806
Energy: 1.0352806858197643
Energy: 0.9935904117269391
Energy: 1.2243904980881382
Energy: 1.000745593398147
Energy: 1.0129051095329287
Energy: 1.0298337185676982
Energy: 0.9774705783753443
Energy: 1.0123244156885023
Energy: 0.9995372557211446
Energy: 1.0158523710242453
Energy: 1.0284847053175192
Energy: 0.9584958484181141
Energy: 1.0100168083304732
Energy: 1.0046191449630615
Energy: 0.9997277483539052
Energy: 0.9740861310196351
Energy: 0.9594791772931358
Energy: 1.0067938436642214
Energy: 1.003442707282664
Energy: 1.0033549231713605
Energy: 0.9698767359381051
Energy: 1.0064705402818126
Energy: 1.0047419099560935
Energy: 0.9522818364184531
Energy: 1.057751272845046
Energy: 1.0099934797895378
Energy: 1.0611338396438807
Energy: 1.001638005170868
Energy: 0.9525841921264118
Energy: 1.0564994445319669
Energy: 1.00733192565018
Energy: 1.066095612268123
Energy: 1.0014657644580889
Energy: 1.068723499605045
Energy: 0.9990573036879845
Energy: 0.9592123373061688
Energy: 1.0004499817446397
Energy: 1.0154385709932436
Energy: 0.9969621508224561
Energy: 0.998683806508001
Energy: 0.9592164890616984
Energy: 1.0002473802050635
Energy: 1.0114010245032554
Energy: 0.9559493363591242
Energy: 0.9605681346723353
Energy: 0.963653355739408
Energy: 1.0168988177294738
Energy: 0.9533294674253106
Energy: 0.955330705526447
Energy: 0.9617551796096167
Energy: 0.9637454341966301
Energy: 1.0108934517620474
Energy: 0.9533240882431563
Energy: 0.9587081116497024
Energy: 0.9526434664512552
Energy: 0.9656945027519811
Energy: 1.0106563095431813
Energy: 0.9627756313951054
Energy: 0.9590366227728117
Energy: 0.9517724312269363
Energy: 0.9673717048121322
Energy: 1.010499497542711
Energy: 0.9617081032183962
Energy: 0.9573836423330075
Energy: 0.9515416674702794
Energy: 0.95462135997195
Energy: 1.0418322270413778
Energy: 0.9676485848235428
Energy: 0.95451291857892
Energy: 0.9505625338498307
Energy: 0.9592385523055246
Energy: 1.0405272046199199
Energy: 0.9667238658591171
Energy: 1.1038778745054096
Energy: 1.0738749040457283
Energy: 1.006447749920331
Energy: 1.0050258104369547
Energy: 0.943833534049384
Energy: 1.1011382044950744
Energy: 1.0096987263559394
Energy: 1.1170676934713397
Energy: 1.002873265569499
Energy: 0.9545525651415944

minimum gb energy = 0.9404091319180933 eV
minimum distance =  2.55179596583002 Angstroms
sigma value = 33