Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Fe__MO_681088298208_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.865952417254448
cohesive_energy=4.290335420566668
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[5.2308663835148995e-21, 4.2665002457439595e-20, 1.223667210747402e-19, 2.10836831974596e-19, 2.8695784603257e-19, 3.5040243856233597e-19, 4.0488445500150593e-19, 4.52688599230164e-19, 4.9464800309799e-19, 5.31006197453352e-19, 5.61989089201644e-19, 5.88003631207902e-19, 6.095913591744179e-19, 6.27337067572602e-19, 6.41795109517818e-19, 6.534637619432399e-19, 6.6277240818678e-19, 6.700991619340619e-19, 6.757756737483239e-19, 6.80104755013392e-19, 6.833411518140719e-19, 6.855906078082079e-19, 6.86905994824722e-19, 6.87333775986e-19, 6.86873951292042e-19, 6.853951422588599e-19, 6.827227116333479e-19, 6.78646774276452e-19, 6.72917390633268e-19, 6.652237384368e-19, 6.551893061780579e-19, 6.42351064809816e-19, 6.261274242139319e-19, 6.0579259837520395e-19, 5.804381531421539e-19, 5.4892173657474e-19, 5.0979658317246e-19, 4.61233007219286e-19, 4.0087100253333596e-19, 3.25576711618506e-19, 2.3101144014992395e-19, 1.1082992778629638e-19, -4.4576078746474803e-20, -2.4976972418079596e-19, -5.26172430548574e-19, -9.046818538011719e-19, -1.43019098322327e-18, -2.1711576220324198e-18]
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: 0.014891757319827023
Energy: 0.015365477429178986
Energy: 0.08865766297112936
Energy: 0.08997938841658404
Energy: 0.10962729386361077
Energy: 0.08778982990219204
Energy: 0.10504219158944049
Energy: 0.08891642122107213
Energy: 0.09068788145854552
Energy: 0.017821969923426887
Energy: 0.015087755679396964
Energy: 0.08773855781403422
Energy: 0.10540176884163331
Energy: 0.0158302613266686
Energy: 0.016290706710166483
Energy: 0.09305706947487272
Energy: 0.08776333704378826
Energy: 0.10502735877134121
Energy: 0.0877148439220147
Energy: 0.1079030892548032
Energy: 0.08856527767940424
Energy: 0.08754834113179742
Energy: 0.1049142036390328
Energy: 0.015213337055704402
Energy: 0.08964863801682024
Energy: 0.10512185262357285
Energy: 0.015283134134737905
Energy: 0.015254123608438523
Energy: 0.10530495759547584
Energy: 0.08849571834366651
Energy: 0.01662204116413843
Energy: 0.10565779131587114
Energy: 0.09372114209726018
Energy: 0.08789936068416233
Energy: 0.09256301667278038
Energy: 0.10538263275519853
Energy: 0.016013737124211825
Energy: 0.015673732534548193
Energy: 0.08763264951369358
Energy: 0.015079416678649536
Energy: 0.0170617109606627
Energy: 0.09130810249869824
Energy: 0.0883095604336585
Energy: 0.01605750299750733
Energy: 0.015138829388532716
Energy: 0.08756676159986969
Energy: 0.0902595315964413
Energy: 0.08898574032732133
Energy: 0.08751320744827545
Energy: 0.015031213372828766
Energy: 0.08801089095650481
Energy: 0.09047619326183845
Energy: 0.10860493016350602
Energy: 0.015583468753563258
Energy: 0.015193616488647933
Energy: 0.0885104447024344
Energy: 0.015795224768762273
Energy: 0.017092858758486238
Energy: 0.1059132527706475
Energy: 0.08744708970831926
Energy: 0.015065198059080668
Energy: 0.10554026333925601
Energy: 0.08800543879413127
Energy: 0.10500224184992052
Energy: 0.08775839789090842
Energy: 0.10478515514140471
Energy: 0.015519136405544429
Energy: 0.01709322441081755
Energy: 0.10491609741559163
Energy: 0.08866375950698542

minimum gb energy = 0.014891757319827023 eV
minimum distance =  2.48049902089825 Angstroms
sigma value = 3


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

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Energy: 1.3377523943914256
Energy: 1.3555930865236374
Energy: 1.3498492440566583
Energy: 1.4241667047839088
Energy: 1.3604084328790478
Energy: 1.4194002252586089
Energy: 1.4265024438563643
Energy: 1.425737515690504
Energy: 1.4396926663336027
Energy: 1.3751178087241267
Energy: 1.3604699615573703
Energy: 1.4095758419394053
Energy: 1.3882145505452674
Energy: 1.4162528284911102
Energy: 1.3622491652055915
Energy: 1.3651460779164333
Energy: 1.426851695733483
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Energy: 1.4357171473348096
Energy: 1.4727573653959225
Energy: 1.35264604479766
Energy: 1.4145945037845045
Energy: 1.4156984178784118
Energy: 1.4109355549657059
Energy: 1.4115325660108071
Energy: 1.388581389727852
Energy: 1.3556516814050492
Energy: 1.3476623790606026
Energy: 1.450500939966755
Energy: 1.3456145224340355
Energy: 1.3503267130629406
Energy: 1.4104833857720567
Energy: 1.4024401527325694
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Energy: 1.3783072071952847
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Energy: 1.4094612979626011
Energy: 1.3945580925439038
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Energy: 1.331815565483143
Energy: 1.330913734469885
Energy: 1.3303302404883248
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Energy: 1.3340182246928451
Energy: 1.3786529347743732
Energy: 1.4099360680316353
Energy: 1.4066362194068207
Energy: 1.403923911360866
Energy: 1.4435086116188822
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Energy: 1.4795324243982282
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Energy: 1.3477920020882699
Energy: 1.3790596695321087
Energy: 1.461556882661541
Energy: 1.3374633395905648
Energy: 1.3890249360831823
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Energy: 1.3318251533454148
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Energy: 1.3341996862337118
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Energy: 1.3455296412025015
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Energy: 1.3386587728858408
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Energy: 1.347409357290265
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Energy: 1.375589940806981
Energy: 1.3767089873338496
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Energy: 1.3876624122356924
Energy: 1.4001266721024686
Energy: 1.3407697347220198
Energy: 1.3799440236520228
Energy: 1.3369808754312356
Energy: 1.3432525685083214
Energy: 1.371075315507769
Energy: 1.3483817963071978
Energy: 1.34280625613864
Energy: 1.4294483800805677
Energy: 1.4148648845717229
Energy: 1.3868669832119713
Energy: 1.34096016983658
Energy: 1.345399385940956
Energy: 1.3760451538750351
Energy: 1.4008174980652535
Energy: 1.3626569269039237
Energy: 1.3831523710376685
Energy: 1.366399931490433
Energy: 1.3764813383415504
Energy: 1.4148122714625329
Energy: 1.3458647697103254
Energy: 1.4746993405007824
Energy: 1.346336044948704
Energy: 1.3753965550438194
Energy: 1.376066584380578
Energy: 1.362156271723028
Energy: 1.3581384932949871
Energy: 1.4028958072281756
Energy: 1.3507844296383273
Energy: 1.4100888084578627
Energy: 1.3769754203047315
Energy: 1.4145080809859853
Energy: 1.392714502042648
Energy: 1.3618447406833007
Energy: 1.42241436818511
Energy: 1.3465584986674646
Energy: 1.3450208590250399
Energy: 1.5138976039502194
Energy: 1.3381892466908103
Energy: 1.345702065338779
Energy: 1.3902019875876954
Energy: 1.4166244254305855
Energy: 1.3771990414343311
Energy: 1.3585794743774193
Energy: 1.350548199226735
Energy: 1.4145178837410255
Energy: 1.3469382340873246
Energy: 1.4084521447793088
Energy: 1.3814819724895229
Energy: 1.417540111349653
Energy: 1.371032102884127
Energy: 1.338305832502566
Energy: 1.3523629897488385
Energy: 1.39012919150299
Energy: 1.3844797512345213
Energy: 1.3782277281994704
Energy: 1.3846965561816216
Energy: 1.3529291423489769
Energy: 1.4257424499863567
Energy: 1.3513823263241793
Energy: 1.3927785242974777
Energy: 1.337578626702661
Energy: 1.3458195453778126
Energy: 1.4007865377745696

minimum gb energy = 1.3303302404883248 eV
minimum distance =  2.2655326931224 Angstroms
sigma value = 75


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

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Energy: 1.4463478677684551
Energy: 1.4635056532139248
Energy: 1.4509320043701543
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Energy: 1.4428203998528877
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minimum gb energy = 1.4017652871009023 eV
minimum distance =  2.25300386791839 Angstroms
sigma value = 105


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

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Energy: 1.4477696072319388
Energy: 1.4682963367342974
Energy: 1.5933058547108714
Energy: 1.4414569944644215
Energy: 1.3748910937877368
Energy: 1.503493734055211
Energy: 1.580195628636689
Energy: 1.5250837138704212
Energy: 1.5989151957476786
Energy: 1.5750434190476974
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Energy: 1.5934929608909765
Energy: 1.41560492400014
Energy: 1.4878380529618427
Energy: 1.4462099403220499
Energy: 1.4389526036826452
Energy: 1.3813283212892906
Energy: 1.5167686123033157
Energy: 1.4879191491869734
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Energy: 1.541257020798897
Energy: 1.5231320904892298
Energy: 1.4309541075460108
Energy: 1.487068406215911
Energy: 1.4296068413222913
Energy: 1.429586827165788
Energy: 1.448870441935416
Energy: 1.4332800970467663
Energy: 1.4344054510448687
Energy: 1.4294610976768694
Energy: 1.4344287011928825
Energy: 1.4224546729629282
Energy: 1.4405038000166972
Energy: 1.4396612046988497
Energy: 1.419952251784526
Energy: 1.443118704060865
Energy: 1.4426479141310053
Energy: 1.427005756797428
Energy: 1.4339890950239105
Energy: 1.4481971038198
Energy: 1.5356620052990393
Energy: 1.4839216288856423
Energy: 1.4531500323316382
Energy: 1.4579154872907565
Energy: 1.49207607018528
Energy: 1.4301545130244235
Energy: 1.4336334370527148
Energy: 1.4503604536058554
Energy: 1.430529389567309
Energy: 1.5374611210035534
Energy: 1.4553191476744367
Energy: 1.4562058283212038
Energy: 1.4563233987706081
Energy: 1.6497987960221743
Energy: 1.5951558347994177
Energy: 1.4283117961597465
Energy: 1.462444487936131
Energy: 1.4460712855197926
Energy: 1.6037089272287615
Energy: 1.4164617035670477
Energy: 1.4155173109650399
Energy: 1.4492666907846417
Energy: 1.4015749556996049
Energy: 1.45091481285462
Energy: 1.4019371272198293
Energy: 1.5668711254202718
Energy: 1.5527451211747951
Energy: 1.4177244463800767

minimum gb energy = 1.3384550886549076 eV
minimum distance =  2.28458141952554 Angstroms
sigma value = 165


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

Energy: 1.6347743263583203
Energy: 1.3481242577183514
Energy: 1.4070528768320099
Energy: 1.3960355281930132
Energy: 1.416583008873328
Energy: 1.384155853547084
Energy: 1.3722072487570236
Energy: 1.3737392787587335
Energy: 1.421656823921889
Energy: 1.3479087522481645
Energy: 1.412512902847252
Energy: 1.3732794594389701
Energy: 1.3991635199445926
Energy: 1.6691449262847629
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Energy: 1.4211469381293573
Energy: 1.3732446585007698
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Energy: 1.3830147898634773
Energy: 1.4170595060651003
Energy: 1.450624768918859
Energy: 1.4039679690424287
Energy: 1.3999429981213956
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Energy: 1.6793324752231886
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Energy: 1.3735381144963694
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Energy: 1.4269411528861389
Energy: 1.395187089630977
Energy: 1.3852718791167278
Energy: 1.366427793067924
Energy: 1.6787571763358344
Energy: 1.3851293170712247
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Energy: 1.4189889385195458
Energy: 1.4054258155246582
Energy: 1.3955804141602073
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Energy: 1.450863981698792
Energy: 1.3718938739364155
Energy: 1.374529478823629
Energy: 1.3726487697021703
Energy: 1.42192218220123
Energy: 1.4366668553794502
Energy: 1.3953827516330566
Energy: 1.417623260116077
Energy: 1.4150540271630503
Energy: 1.374388326565839
Energy: 1.3735220981917866
Energy: 1.3739524641016474
Energy: 1.3775732392473552
Energy: 1.3764802809010626
Energy: 1.4148334866932541
Energy: 1.3829556194000376
Energy: 1.4042553831302778
Energy: 1.4252865701541384
Energy: 1.4182459906579852
Energy: 1.3803356813956462
Energy: 1.3819600761165736
Energy: 1.371988443313846
Energy: 1.4073325759531368
Energy: 1.3746884024048707
Energy: 1.373591388514163
Energy: 1.361780926925417
Energy: 1.4110534942295017
Energy: 1.4937587449705463
Energy: 1.4516522910548568
Energy: 1.372840279871104
Energy: 1.3834153817301937
Energy: 1.3738328257328443
Energy: 1.4133499296728342
Energy: 1.3985096355895037
Energy: 1.3938948808999518
Energy: 1.3955400072728814
Energy: 1.375783657962968
Energy: 1.415811660581451
Energy: 1.4167760852620217
Energy: 1.4169467526026056
Energy: 1.464118204325226
Energy: 1.6574512217889186

minimum gb energy = 1.3479087522481645 eV
minimum distance =  2.26381474873156 Angstroms
sigma value = 41


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

Energy: 2.8220642050135702
Energy: 1.4477437296874467
Energy: 1.4150625428252985
Energy: 1.333898332999627
Energy: 1.2971529313067665
Energy: 1.4301706387519815
Energy: 1.4528926662948016
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Energy: 1.2719613113084747
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Energy: 1.425061423870594
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Energy: 1.3452300920969997
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Energy: 1.4046017878662382
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Energy: 1.3436161722550413
Energy: 1.474749702052072
Energy: 1.4126930778350029
Energy: 1.3349017707107373
Energy: 1.2907862865140485
Energy: 1.2743304991594087
Energy: 1.30065367247689
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Energy: 1.3820428562674862
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Energy: 1.2811381067052767
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Energy: 1.3970658139066805
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Energy: 1.2843767761700053
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Energy: 1.3867062454748356
Energy: 1.3672476751362326
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Energy: 1.3363821873737556
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Energy: 1.3939091931746055
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Energy: 1.4260222454346714
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Energy: 1.296081621197266
Energy: 1.4045930931964197
Energy: 1.4276732472148594
Energy: 1.3011431031816056
Energy: 1.3572906131278435
Energy: 1.4339563989652573
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Energy: 1.3145504351209771
Energy: 1.2703588938172867
Energy: 1.2599917539065613
Energy: 1.295450863350883
Energy: 1.4254136800054333
Energy: 1.313517775524251
Energy: 1.2316977296318123
Energy: 1.3058779671366418
Energy: 1.3387607159631112
Energy: 1.4183373777468407
Energy: 1.4963517466525704
Energy: 1.3911648113158368
Energy: 1.3416800616826663
Energy: 1.3059856040479576
Energy: 1.30850655284286
Energy: 1.3143088188459704
Energy: 1.2833518389746452
Energy: 1.3030777767865567
Energy: 1.3057268167076614
Energy: 1.4149068644933305
Energy: 1.448161781650216
Energy: 1.44147376126899
Energy: 1.4326421346749267
Energy: 1.2932025543462242
Energy: 1.3080258761259227
Energy: 1.2969657766676213
Energy: 1.3096218191157198
Energy: 1.3038836769980342
Energy: 1.3053251198390252
Energy: 1.304967956471188
Energy: 1.4854107453518506
Energy: 1.4227883233832455
Energy: 1.4083923825626323
Energy: 1.2932066583367967
Energy: 1.3075019527107996
Energy: 1.2826690836079584
Energy: 1.4418037992015091
Energy: 1.4156810495366159
Energy: 1.3344067467659633
Energy: 1.3266905245832001
Energy: 1.2940427777382917
Energy: 1.3307131122022322
Energy: 1.4260483694389863
Energy: 1.4839520401886959
Energy: 1.3867513670725347

minimum gb energy = 1.2050387786760213 eV
minimum distance =  2.27141885140355 Angstroms
sigma value = 185


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

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Energy: 1.2375989229935247
Energy: 1.42792513982335
Energy: 1.4255082948011355
Energy: 1.4281839292262748
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Energy: 1.427719815431399
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Energy: 1.2477497476875192
Energy: 1.2410217452102892
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Energy: 1.4257508809328465
Energy: 1.2385757251871563
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Energy: 1.429110159067966
Energy: 1.425866055137453
Energy: 1.4717120853549612
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Energy: 1.429944551138624
Energy: 1.5797400670872934
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Energy: 1.5633415097808818
Energy: 1.4272509953534473
Energy: 1.429987302218132
Energy: 1.2336250323779978
Energy: 1.4281820658813265
Energy: 1.5822545778885357
Energy: 1.5780154762516128
Energy: 1.5823861473521579
Energy: 1.2451224320819991
Energy: 1.2531675367392257
Energy: 1.4262903062856542
Energy: 1.4302212822794411
Energy: 1.4263609859134656
Energy: 1.426914858653569
Energy: 1.428091654864938
Energy: 1.246739796960919
Energy: 1.248177378866058
Energy: 1.2481815879898577
Energy: 1.246200894941435
Energy: 1.2714632518269837
Energy: 1.273693022230409
Energy: 1.2736767045252688
Energy: 1.4302117240400722
Energy: 1.4258794576907328
Energy: 1.4708987977945853
Energy: 1.594550589118771
Energy: 1.5787416065479978
Energy: 1.4296095841181353
Energy: 1.427176740279108
Energy: 1.427765664166914
Energy: 1.2721656385039675
Energy: 1.4241045675707966
Energy: 1.2715879491323383
Energy: 1.2425654079229485
Energy: 1.2428255342934396
Energy: 1.2374433805344
Energy: 1.4682504590962824
Energy: 1.5832896304627304
Energy: 1.564714848650606
Energy: 1.582700604006632
Energy: 1.5880628083882875
Energy: 1.4254250087219962
Energy: 1.4304071435091144
Energy: 1.4267420417226
Energy: 1.2372969412481192
Energy: 1.2423988512154194
Energy: 1.2444395785313478
Energy: 1.2382529008250642

minimum gb energy = 1.2336250323779978 eV
minimum distance =  2.30998780202675 Angstroms
sigma value = 33


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

Energy: 1.6581845071470032
Energy: 1.3569860849513613
Energy: 1.360200948666947
Energy: 1.3892217916092886
Energy: 1.4755095263184765
Energy: 1.548759018466452
Energy: 1.5460103666897975
Energy: 1.5083956852210574
Energy: 1.3608908764115133
Energy: 1.3574456424403534
Energy: 1.3290336479056446
Energy: 1.547761416747553
Energy: 1.4522981297588875
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Energy: 1.4855233970122481
Energy: 1.3901138570150595
Energy: 1.5563097691977243
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Energy: 1.3519095330746937
Energy: 1.355882058111145
Energy: 1.499005896651232
Energy: 1.4706598428125701
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Energy: 1.351995531681122
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Energy: 1.3209761457218245
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Energy: 1.3955327689095862
Energy: 1.314350811138774
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Energy: 1.5701958993986769
Energy: 1.5656045208167908
Energy: 1.5965784606947722
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Energy: 1.357679578795105
Energy: 1.325115049672642
Energy: 1.55627847999531
Energy: 1.423565690759362
Energy: 1.4819357139722733
Energy: 1.4812670239344707
Energy: 1.3982455488422574
Energy: 1.3556406833314452
Energy: 1.3637725512419452
Energy: 1.378643899925995
Energy: 1.3751319878378812
Energy: 1.345546981009568
Energy: 1.323746682330016
Energy: 1.5091969590546754
Energy: 1.4685770663303181
Energy: 1.4073477849585352
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Energy: 1.3595952069118857
Energy: 1.5089154703467256
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Energy: 1.3533951611088926
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Energy: 1.3473054725495153
Energy: 1.3524530787267934
Energy: 1.3579668757542838
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Energy: 1.4369085733417097
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Energy: 1.4756589444148316
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Energy: 1.478748789674377
Energy: 1.5460582033410064
Energy: 1.4784795651347062
Energy: 1.3717610265007352
Energy: 1.3571893930629395

minimum gb energy = 1.314350811138774 eV
minimum distance =  2.29209977857473 Angstroms
sigma value = 219


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

Energy: 2.2203138252602805
Energy: 1.2958196828011252
Energy: 1.2935766289501176
Energy: 1.3376555631792557
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Energy: 1.3376839291009015
Energy: 1.3078994161633268
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Energy: 1.327108365559302
Energy: 1.3380465691171333
Energy: 1.3069270674470215
Energy: 1.3039037187368394
Energy: 1.3823859938386276
Energy: 1.272473780329199
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Energy: 1.2965219047267125
Energy: 1.3034014177618258
Energy: 1.270700806452557
Energy: 1.2747550530160148
Energy: 1.326280719831859
Energy: 1.3254644226786159

minimum gb energy = 1.270700806452557 eV
minimum distance =  2.30399858365465 Angstroms
sigma value = 15


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

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Energy: 1.5564615981453203
Energy: 1.5100237721962018
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Energy: 1.4970617092412948
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minimum gb energy = 1.442056623923324 eV
minimum distance =  2.27337326504662 Angstroms
sigma value = 293


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

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Energy: 1.5396357828985625
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Energy: 1.5510962237737778
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Energy: 1.578025995595423
Energy: 1.4932368515928336
Energy: 1.5076650780444887
Energy: 1.5363187411926524
Energy: 1.5410485942283603
Energy: 1.5224368216325948
Energy: 1.5427541879312636
Energy: 1.5224374737565252
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Energy: 1.6125008638963791
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Energy: 1.502096683252371
Energy: 1.5194632452160899
Energy: 1.502212447709887
Energy: 1.6360232057425286
Energy: 1.5709396961315023
Energy: 1.5279502874158117
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Energy: 1.5282847306391263
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Energy: 1.541175362644489
Energy: 1.57292459732729
Energy: 1.553549815838844
Energy: 1.652251111944554
Energy: 1.5593118194781468
Energy: 1.4853599191872833
Energy: 1.451542955341966
Energy: 1.5166892600015949
Energy: 1.5288842577645392
Energy: 1.6166410041835668
Energy: 1.489290429569717
Energy: 1.474663038368575
Energy: 1.5079493877223888
Energy: 1.5403758884333492
Energy: 1.4924539733718476
Energy: 1.5723041055194527
Energy: 1.4636996456013702
Energy: 1.451420918786005
Energy: 1.5123786696616672
Energy: 1.4528032957079522
Energy: 1.5060528021088189
Energy: 1.4923224465920009
Energy: 1.5081175706891792
Energy: 1.4943710143534525
Energy: 1.5776943739446778
Energy: 1.636487885638118
Energy: 1.5534571190285797
Energy: 1.5313910254026284
Energy: 1.52002953113832
Energy: 1.451644559324976
Energy: 1.4701211273829582
Energy: 1.4916907224918545
Energy: 1.5294115338021337
Energy: 1.550430335563567
Energy: 1.5755062700269677
Energy: 1.549653429838476
Energy: 1.4542767861030266
Energy: 1.5336015653363755
Energy: 1.5666162983885608
Energy: 1.4533221818255468
Energy: 1.4686076929148408
Energy: 1.469122547167481
Energy: 1.5208562240538943
Energy: 1.4957862073910049
Energy: 1.5437164157451584
Energy: 1.527955818687654

minimum gb energy = 1.4297289816647685 eV
minimum distance =  2.26488228798361 Angstroms
sigma value = 293


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

Energy: 1.7614882632547455
Energy: 1.588743322978843
Energy: 1.3288269814026477
Energy: 1.3257553565227511
Energy: 1.3283801977516254
Energy: 1.523622861649134
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Energy: 1.5191168926293548
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Energy: 1.3278637282582955
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Energy: 1.4245765472964556
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Energy: 1.3485267363107551
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Energy: 1.4293854284718375
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Energy: 1.3517473834370968
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Energy: 1.3250675842851447
Energy: 1.3295671631098667
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Energy: 1.3294611975121382
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Energy: 1.3714444772643226
Energy: 1.5888864338910191
Energy: 1.4272950593115912
Energy: 1.4296868138933168
Energy: 1.3298212895488573
Energy: 1.422933271042318
Energy: 1.329957161486556
Energy: 1.3517720370277622
Energy: 1.3515980598462907
Energy: 1.3275481011086816
Energy: 1.5821174506987499
Energy: 1.3712331341828523
Energy: 1.323187191581029
Energy: 1.3294124424060938
Energy: 1.3268785836850108
Energy: 1.3290036062207198
Energy: 1.3334054603018888
Energy: 1.4287624487901993
Energy: 1.4310667254635439
Energy: 1.3301653775115923
Energy: 1.3260831016972934
Energy: 1.428469976901368
Energy: 1.5434197686418116
Energy: 1.4262006688974198
Energy: 1.5220993563265797
Energy: 1.5244647769722273
Energy: 1.4248875911213656
Energy: 1.326789706497172
Energy: 1.3220112115031823
Energy: 1.3514980273652462
Energy: 1.4201886481214305
Energy: 1.5223559625011744
Energy: 1.3532976560287997
Energy: 1.326175200920297
Energy: 1.426270644540811
Energy: 1.427615248224454
Energy: 1.3289836167891709
Energy: 1.32825351655244
Energy: 1.4301492519329382
Energy: 1.347843403082884
Energy: 1.3275041040769744
Energy: 1.3270323212695976
Energy: 1.3714494879443742
Energy: 1.5804667220006603
Energy: 1.3293771894772684
Energy: 1.4277908091878033
Energy: 1.4029596306936458
Energy: 1.327402799904263
Energy: 1.3221695669624365
Energy: 1.3528081519076516
Energy: 1.4265197455622052
Energy: 1.4233593080523868
Energy: 1.2251660468604868
Energy: 1.3555218509655682
Energy: 1.5420964153064756
Energy: 1.328056550021518
Energy: 1.4933084339904739
Energy: 1.427698035061884
Energy: 1.430365226055669
Energy: 1.3476253846592856
Energy: 1.3298028701132507
Energy: 1.327113741468597
Energy: 1.4270660593775715
Energy: 1.5409431655962602
Energy: 1.2219428387882907
Energy: 1.4255396589667828
Energy: 1.5212932606767793
Energy: 1.5197999603255143
Energy: 1.326450837922347
Energy: 1.322869534324287
Energy: 1.3289365311016952
Energy: 1.4242486998074346
Energy: 1.428705614260358
Energy: 1.3349402488943347

minimum gb energy = 1.2190191391226244 eV
minimum distance =  2.35440956666552 Angstroms
sigma value = 15


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

Energy: 1.6078288066372937
Energy: 1.4644042907880548
Energy: 1.47704034794825
Energy: 1.4544010080275118
Energy: 1.4366082043223793
Energy: 1.462492950099975
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Energy: 1.4958437462052316
Energy: 1.583376705779905
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Energy: 1.5500470415753889
Energy: 1.4352003849509525
Energy: 1.4514095286977995
Energy: 1.4864475718220054
Energy: 1.4656281553140182
Energy: 1.4332608849536643
Energy: 1.426334594271299
Energy: 1.4724345264307357
Energy: 1.5036042334598931
Energy: 1.5510257587647038
Energy: 1.5535995104036666
Energy: 1.4634280280408969
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Energy: 1.439030204777799
Energy: 1.4497006453095354
Energy: 1.4263634693530725
Energy: 1.4328369513557317
Energy: 1.464909893736648
Energy: 1.4657053212581481
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Energy: 1.4593502510670093
Energy: 1.4744862774139669
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Energy: 1.4370000646851782
Energy: 1.4668829652704065
Energy: 1.4322368972246806
Energy: 1.4228160905690952
Energy: 1.4228673464103343
Energy: 1.553366630398364
Energy: 1.3998350334017788
Energy: 1.4618963920475636
Energy: 1.4751583091455018
Energy: 1.425309727100117
Energy: 1.4822952936417553
Energy: 1.4710024441681406
Energy: 1.4237348065604158
Energy: 1.4322009266258828
Energy: 1.4512816286568597
Energy: 1.5614983346399232
Energy: 1.5184339947602281
Energy: 1.5242389740359927
Energy: 1.5604854469265856
Energy: 1.4567166074623932
Energy: 1.4746435734223695
Energy: 1.4667445162472619
Energy: 1.4753218474244445
Energy: 1.4700744112936637
Energy: 1.4034340102517744
Energy: 1.6323999311854613
Energy: 1.598748537419516
Energy: 1.561330476640605
Energy: 1.5793223043341593
Energy: 1.536998060841726
Energy: 1.4560592630279952
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Energy: 1.6242665373345666
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Energy: 1.5072239716557094
Energy: 1.4336592590212403
Energy: 1.4349125250911252
Energy: 1.5712527788083999
Energy: 1.4715079527716735
Energy: 1.4712871788421331
Energy: 1.4607498751773202
Energy: 1.4634605693681502
Energy: 1.4769447711362993
Energy: 1.4694062810679616
Energy: 1.5081094012781897
Energy: 1.4673120512872135
Energy: 1.5315968468819008
Energy: 1.5624011769833532
Energy: 1.516443402801546
Energy: 1.515248256530818
Energy: 1.623572470235189
Energy: 1.4572340532323125
Energy: 1.524178137097961
Energy: 1.5252708249124025
Energy: 1.529928938950007
Energy: 1.5105456602944016
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Energy: 1.5430705459183787
Energy: 1.510708947937914
Energy: 1.5255656746108845
Energy: 1.5619262848643896
Energy: 1.495331765249619
Energy: 1.5003216978951324
Energy: 1.4769119297807487
Energy: 1.4973539364096597
Energy: 1.520436659672277
Energy: 1.4557295890318211
Energy: 1.4849285653815085
Energy: 1.4842607499337002
Energy: 1.4290510874541218
Energy: 1.4927979883403097
Energy: 1.4963286187799691
Energy: 1.524411849049477
Energy: 1.5246290624705885
Energy: 1.4589811254935872
Energy: 1.56083697684333
Energy: 1.52499664797252
Energy: 1.50944231616814
Energy: 1.5112870406190075
Energy: 1.5295603436710692
Energy: 1.5252892954978376
Energy: 1.5069044459918772
Energy: 1.5476347405015203
Energy: 1.4762164961514102
Energy: 1.4669742243645087
Energy: 1.5804754654206326
Energy: 1.515891122743866
Energy: 1.5104913668708326
Energy: 1.518816129059014
Energy: 1.521062930711525
Energy: 1.5112918462348661
Energy: 1.5279828442178882
Energy: 1.545924903143456
Energy: 1.625980448979166
Energy: 1.6243761324513224
Energy: 1.4971758860023183
Energy: 1.4712841285113858
Energy: 1.4692028490879205
Energy: 1.516323724762297
Energy: 1.440216973938797
Energy: 1.4451158855887505
Energy: 1.43339065134564
Energy: 1.631660345166612
Energy: 1.4831247043727946
Energy: 1.4672073587882457
Energy: 1.4582600377292287
Energy: 1.457573535106996
Energy: 1.5932241353618435
Energy: 1.542417757508635
Energy: 1.4724083801484522
Energy: 1.631883712931828
Energy: 1.4504376842427325
Energy: 1.4395029446704066
Energy: 1.4364295410122032
Energy: 1.4544707358563478
Energy: 1.4746569272938397
Energy: 1.4561013621237984
Energy: 1.5630631891010844
Energy: 1.703564495201474
Energy: 1.5158034604015485
Energy: 1.5451524393615828
Energy: 1.4619625818595023
Energy: 1.4228553999621671
Energy: 1.4200801234176403
Energy: 1.4676158984969865
Energy: 1.4848407015629494
Energy: 1.4023270867208826
Energy: 1.4721906804080775
Energy: 1.475849621395271
Energy: 1.5215004301958155
Energy: 1.5501856335250144
Energy: 1.464494659483886
Energy: 1.4343837613757289
Energy: 1.4367806065627986
Energy: 1.4772920450118203
Energy: 1.459589078237061
Energy: 1.4607038593871124
Energy: 1.4821701383500943
Energy: 1.4719030026519428
Energy: 1.568742313825493
Energy: 1.4602327141982445
Energy: 1.5016113601265129
Energy: 1.4258318002464863
Energy: 1.4345194872705185
Energy: 1.4665029394001803
Energy: 1.4376756344362478
Energy: 1.4345126753561637
Energy: 1.4539409466555078
Energy: 1.5508232156803117
Energy: 1.4964155392728695
Energy: 1.5175268351099032
Energy: 1.4963265313617178
Energy: 1.4864498889361988
Energy: 1.4293221262925175
Energy: 1.4812194780508308
Energy: 1.4872360285379862
Energy: 1.450101965770675
Energy: 1.436272023674525
Energy: 1.5496727664245793
Energy: 1.5165106298702842
Energy: 1.516485546608252
Energy: 1.429670124225241
Energy: 1.4953978710944125
Energy: 1.4891327309343396
Energy: 1.4875282226542765
Energy: 1.492533810443468
Energy: 1.4976511754500734
Energy: 1.657114461074854
Energy: 1.6569742209885017
Energy: 1.4978896789920841
Energy: 1.5507107935266988
Energy: 1.427828411857349
Energy: 1.479097188133855
Energy: 1.477087091916191
Energy: 1.4732190965711112
Energy: 1.5687842824218319
Energy: 1.5209268463510666
Energy: 1.557658269475418
Energy: 1.4354839829332846
Energy: 1.4506700478788737
Energy: 1.5094594905128418
Energy: 1.4517977351434117
Energy: 1.5544561234192986
Energy: 1.552251843285207
Energy: 1.518606908879055
Energy: 1.4725765028253475
Energy: 1.4649131446463555
Energy: 1.547857703764817
Energy: 1.5548848231573738
Energy: 1.5063763123137415
Energy: 1.5887829031879397
Energy: 1.4418997556842008
Energy: 1.436995487733533
Energy: 1.5520531751078326
Energy: 1.466894219647112
Energy: 1.5702621683045608
Energy: 1.5717178162465617
Energy: 1.5796193148549365
Energy: 1.5510068525574507
Energy: 1.4934344957309742
Energy: 1.587674346204553
Energy: 1.4775730400022422
Energy: 1.4710954613896496
Energy: 1.544105117799716
Energy: 1.4989066235626238
Energy: 1.4682371065767486
Energy: 1.4687488107696696
Energy: 1.5053153794635283
Energy: 1.453025661929058
Energy: 1.569983397687973
Energy: 1.4789935303618011
Energy: 1.5519192137311724
Energy: 1.5462355632911007
Energy: 1.4353488432041719
Energy: 1.4721685200931034
Energy: 1.4864030876759915
Energy: 1.4887440584390257
Energy: 1.4872497600974335
Energy: 1.4629508597540997
Energy: 1.4982361814704128
Energy: 1.5533637624662167
Energy: 1.5191195922298277
Energy: 1.5508214060360412
Energy: 1.4620013929652311
Energy: 1.43504306115682
Energy: 1.4387851846394137
Energy: 1.4640225697715652
Energy: 1.4341832725499088
Energy: 1.4366056382977883
Energy: 1.488041812703522
Energy: 1.5082970925753139
Energy: 1.4541939663134096
Energy: 1.4546700829728159
Energy: 1.4746504794243398
Energy: 1.4544684876271532
Energy: 1.4369582873694156
Energy: 1.46963051514115
Energy: 1.4259729137315509
Energy: 1.4344477432643066
Energy: 1.4662515721426141
Energy: 1.4723285281125482

minimum gb energy = 1.3984681425698537 eV
minimum distance =  2.28554258925702 Angstroms
sigma value = 437


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

Energy: 1.6904938277584551
Energy: 1.4038321421039557
Energy: 1.4516994662345035
Energy: 1.4394587648655808
Energy: 1.4548848711273747
Energy: 1.4580861805509302
Energy: 1.4789382369585609
Energy: 1.4518837669244482
Energy: 1.4645701663168547
Energy: 1.4309747921183043
Energy: 1.513513456626995
Energy: 1.447056209712048
Energy: 1.4590862619787326
Energy: 1.4520858824512866
Energy: 1.4507421219420449
Energy: 1.4147788681001046
Energy: 1.4506896309991804
Energy: 1.457371004514449
Energy: 1.4545102869633981
Energy: 1.441566401125869
Energy: 1.4576914445422902
Energy: 1.4300673701751954
Energy: 1.441872403645968
Energy: 1.4424842990446247
Energy: 1.438439516511458
Energy: 1.4649091212932546
Energy: 1.4666213080113524
Energy: 1.455620900553648
Energy: 1.438328796663655
Energy: 1.4407785670959654
Energy: 1.5000821699053988
Energy: 1.4519469229421247
Energy: 1.4384810403721422
Energy: 1.437021369246053
Energy: 1.4615877094672576
Energy: 1.4273510068603603
Energy: 1.4259297784342797
Energy: 1.416187826017439
Energy: 1.4059504317471316
Energy: 1.4138747535355025
Energy: 1.454413254530159
Energy: 1.4486299739200819
Energy: 1.4472849821386427
Energy: 1.4176617651173518
Energy: 1.4767763492832424
Energy: 1.4805519919565333
Energy: 1.4581445009863718
Energy: 1.4420525393899966
Energy: 1.5856055894284524
Energy: 1.448472376368471
Energy: 1.433819876849223
Energy: 1.5702851223988814
Energy: 1.430172630316318
Energy: 1.6082602174543859
Energy: 1.454749360192531
Energy: 1.4294265082185944
Energy: 1.450228684771153
Energy: 1.4795377000260048
Energy: 1.4425832480351475
Energy: 1.4302837412029168
Energy: 1.403326590504405
Energy: 1.4389035243940935
Energy: 1.4476772700736797
Energy: 1.4389457413477285
Energy: 1.440966336305774
Energy: 1.4275250443369745
Energy: 1.478784369531385
Energy: 1.4792843528043242
Energy: 1.5000898086955272
Energy: 1.4532116131595803
Energy: 1.4035369556655468
Energy: 1.4161366286804107
Energy: 1.4446754909845434
Energy: 1.4532968876735628
Energy: 1.4407355779751116
Energy: 1.426349680805788
Energy: 1.485164146342291
Energy: 1.4590003276162324
Energy: 1.4617297364115047
Energy: 1.4034463369065924
Energy: 1.4432280424138926
Energy: 1.4340147943288524
Energy: 1.455711472493312
Energy: 1.5839360703388459
Energy: 1.4525815151254724
Energy: 1.4296145697864104
Energy: 1.4497912204102388
Energy: 1.4505273875079252
Energy: 1.4408987946735685
Energy: 1.5696632211111643
Energy: 1.458190335355014
Energy: 1.4310009679602937
Energy: 1.581616920150147
Energy: 1.4346525001338903
Energy: 1.4356863106847064
Energy: 1.4502914926316528
Energy: 1.4375223960794106
Energy: 1.417834917708257
Energy: 1.4253038603486767
Energy: 1.4482369197139868
Energy: 1.4170129680677377
Energy: 1.4459473543710777
Energy: 1.4515679580730012
Energy: 1.4173266781729177
Energy: 1.4613358651701844
Energy: 1.4280813209255916
Energy: 1.4802434604574402
Energy: 1.4447997972959568
Energy: 1.4058930399782283
Energy: 1.4392371172917644
Energy: 1.4525046558030068
Energy: 1.453682320981756
Energy: 1.4340211840326254
Energy: 1.4987080777638675
Energy: 1.4574720269085717
Energy: 1.4322643386416551
Energy: 1.4295318700514503
Energy: 1.4426156615155172
Energy: 1.4429997522736389
Energy: 1.4390581324471023
Energy: 1.432138403364837
Energy: 1.4407353608468925
Energy: 1.4318559982204004
Energy: 1.569822811647521
Energy: 1.441013927696377
Energy: 1.4264259884579507
Energy: 1.4537982951563395
Energy: 1.480520634783801
Energy: 1.4578291945772692
Energy: 1.4343697177963541
Energy: 1.4270176920136308
Energy: 1.4355019252916768
Energy: 1.4511614611902814
Energy: 1.4392188145216436
Energy: 1.452091573915845
Energy: 1.438538805859373
Energy: 1.4821480594249803
Energy: 1.4533022211786126
Energy: 1.4147709040359708
Energy: 1.402963826954679

minimum gb energy = 1.402963826954679 eV
minimum distance =  2.31118794725803 Angstroms
sigma value = 33