Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.605663573741914
cohesive_energy=4.1815964231097436
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01624359152067877
Energy: 0.9317294849800347
Energy: 0.01624359152067877
Energy: 0.9317294849794392
Energy: 0.01624359152067877
Energy: 0.9317294849788088
Energy: 0.9317294849797544
Energy: 0.09745717403439656
Energy: 0.9317294849797544
Energy: 0.8072217707737697
Energy: 0.9317294849794392
Energy: 0.9680626507673755
Energy: 0.01624359152067877
Energy: 0.9317294849797544
Energy: 0.01624359152067877
Energy: 0.931729484979124
Energy: 0.01624359152067877
Energy: 0.931729484979124
Energy: 0.9317294849794392
Energy: 0.8072217727280129
Energy: 0.9317294849794392
Energy: 0.9798291266106978
Energy: 0.931729484979124
Energy: 0.9680626507664298
Energy: 0.01624359152067877
Energy: 0.9317294849800347
Energy: 0.01624359152067877
Energy: 0.9317294849794392
Energy: 0.01624359152067877
Energy: 0.931729484979124
Energy: 0.9317294849797544
Energy: 0.968062650772279
Energy: 0.9317294849794392
Energy: 0.9680626507790743
Energy: 0.9317294849788088
Energy: 0.968062650771999

minimum gb energy = 0.01624359152067877 eV
minimum distance =  2.38490626058217 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.972741015806167
Energy: 0.8141220660931224
Energy: 0.9727410150961988
Energy: 0.8141220661553447
Energy: 0.9727410157909908
Energy: 0.8141220661469979
Energy: -5.384057989210235
Energy: 0.7217978508876318
Energy: -6.05701452351859
Energy: 0.7217978508876318
Energy: -5.9427492105244255
Energy: 0.7217978508899082
Energy: 0.9236502014406625
Energy: -5.2828685425526825
Energy: 0.9236502014414213
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Energy: -4.31693587852742
Energy: 0.8066920678593453
Energy: -6.230782542366877
Energy: 0.8066920678601042
Energy: -4.975159615093895
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Energy: 0.8156670315371607
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Energy: 0.81566703153109
Energy: -5.427447807419018
Energy: 0.8156670315348842
Energy: -6.051223559942196
Energy: 0.883042508350612
Energy: 0.7992321537414666
Energy: 0.8830425083490941
Energy: 0.7992321537414666
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Energy: 0.693317725194648
Energy: 0.9466378960367668
Energy: 0.6933177239750369
Energy: 0.9466378960352492
Energy: 0.6933177213340408
Energy: 0.946637896032214
Energy: 0.6947334249257596
Energy: -4.803952122999007
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Energy: 0.6947314725442189
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Energy: 0.9080606916374544
Energy: 0.9349934981388448
Energy: 0.9080606916397308
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Energy: 0.908060691638972
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Energy: -4.56184628718671
Energy: 0.7982309732972919
Energy: 0.6693926563391066
Energy: 0.820414699696065
Energy: 0.6693926563383478
Energy: 0.8204146997006179
Energy: 0.6693926563391066
Energy: 0.8204146997013765
Energy: 0.8395646032542537
Energy: 0.6573713125561985
Energy: -6.251912580677803
Energy: 0.6573713125561985
Energy: -5.044981205115303
Energy: 0.6573713125561985
Energy: 0.7990471427865187
Energy: 0.8456412521316778
Energy: 0.7990471427850011
Energy: 0.8456412521331954
Energy: 0.799047142789554
Energy: 0.8456412521271939
Energy: -6.1569785880047645
Energy: 0.724104720843299
Energy: -6.78463455868484
Energy: 0.7241047208144643
Energy: -6.975777662739627
Energy: 0.7241047208159819
Energy: 1.0796231478503222
Energy: -5.5756993888036
Energy: 1.0796231478480458
Energy: -3.532518869889997
Energy: 1.0796231478510812
Energy: -5.577635574433257
Energy: 0.9344393325283554
Energy: 0.8425641785879051
Energy: 0.9344393325230439
Energy: 0.8425641785879051
Energy: 0.9344393325253202
Energy: 0.8425641785848699
Energy: 0.7095670491734515
Energy: 0.8246887841730692
Energy: -3.442353432934065
Energy: 0.824688784627388
Energy: -3.074922518782099
Energy: 0.8246887843664963
Energy: 0.7667394530545012
Energy: 0.8074416808246836
Energy: 0.7667394530522248
Energy: 0.8074416808292365
Energy: 0.76673945305526
Energy: 0.8074416808307542
Energy: -4.779939472717575
Energy: 0.7874729616899644
Energy: -3.8256021267010416
Energy: 0.7874729616869293
Energy: -3.731884294387628
Energy: 0.7874729616899644
Energy: 0.7366449572223139
Energy: -5.07394882188751
Energy: 0.7366449572230729
Energy: -5.302285424263405
Energy: 0.7366449572238316
Energy: -5.057751611379659
Energy: -5.328753556840039
Energy: 0.9351422412774639
Energy: -5.6224468079930805
Energy: 0.9351422412797404
Energy: -4.7127214904002726
Energy: 0.9351422412812581
Energy: 0.713957619429134
Energy: -7.05317912971989
Energy: 0.7139576194298929
Energy: -5.7795913994482095
Energy: 0.7139576194283752
Energy: -5.7128181667699085

minimum gb energy = -7.05317912971989 eV
minimum distance =  2.41244135243358 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

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Energy: -4.14749398869324
Energy: 1.0049099594246973
Energy: -4.364598814818263
Energy: 1.1184772014351627
Energy: -4.233925867518395
Energy: -4.340729887283097
Energy: 0.8480326466100044
Energy: -4.600860213964105
Energy: 0.8480326466069833
Energy: -4.905824440368933
Energy: 0.8480326466091412
Energy: -2.5086711403757427
Energy: -2.80759348120402
Energy: -2.30911570908822
Energy: -3.360104014086774
Energy: -2.5065290740455306
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Energy: -2.813640533614078
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Energy: -3.268065614611344
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Energy: -2.6627504285582027
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Energy: -2.625813222309621
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Energy: -3.1034746372703865
Energy: -2.3722963211936663
Energy: -2.5607315778657695
Energy: -2.3736448766629286
Energy: -4.521531177195031
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Energy: -4.009106762881186
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Energy: 1.0826112828633503
Energy: -3.03063918909301
Energy: 1.0826112828607606
Energy: 1.0040183053923992
Energy: 1.0826112828706878
Energy: -3.0778895622236715
Energy: -2.244563598616492
Energy: -3.393868048407099
Energy: -2.244313540361904
Energy: -3.0711245669229372
Energy: -2.2446905117446825
Energy: -3.3159781302055626
Energy: -2.810705193207139
Energy: 0.794186060575538
Energy: -2.7938203772426933
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Energy: -4.047775425968295
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Energy: 0.8673548595608266
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Energy: -3.2965920562737185
Energy: -2.6368884277742137
Energy: -3.5442006456593864
Energy: -2.673461606069441
Energy: -3.782300248091244
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Energy: -3.4564952728784473
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Energy: -3.1266296492703765
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Energy: -3.05856893399339
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Energy: 0.7558892474274753
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Energy: -5.1248734028467045
Energy: 0.7558892474335179
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Energy: 0.8065255116224299
Energy: -5.210040992333303
Energy: 0.8065254991445873
Energy: -5.089089907639824
Energy: 0.8065255098022639
Energy: -3.7326129016208043
Energy: -3.2664348741210385
Energy: -2.2028223265400224
Energy: -3.274357468093285
Energy: -3.3617483451466073
Energy: -3.1006436628368683
Energy: -4.674327037107377
Energy: -3.939093196466374
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Energy: -3.7299729089406037
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Energy: -4.0081633170597595
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Energy: 0.7555036791656822
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Energy: -4.574991633529997
Energy: 0.7934859437886385
Energy: -4.5557296554475455
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Energy: -2.889378057732115
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Energy: -3.372757727312272
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Energy: -3.3630913168286587
Energy: 1.0599991198261285
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Energy: -3.412140416252218
Energy: 0.852593788017263
Energy: -3.542314954478363
Energy: 0.8525937880258952
Energy: -3.4685823805153677
Energy: -4.395728756299976
Energy: -3.4511968974689275
Energy: -4.487949854100748
Energy: -3.4605249580315594
Energy: -4.4914407398195895
Energy: -3.358789134891088
Energy: -4.256303437054624
Energy: -3.6668168618710206
Energy: -4.362829868926414
Energy: -3.7505084625894054
Energy: -4.119079912909139
Energy: -3.747267839423713
Energy: -2.5292852299954407
Energy: 0.7552107820356437
Energy: -3.7136653233648906
Energy: 0.7552107399739134
Energy: -2.5502876528465075
Energy: 0.7552106859831095
Energy: -3.939856514940369
Energy: -4.750802873559535
Energy: -4.246538319454046
Energy: -3.1228505117304093
Energy: -4.027781693888682
Energy: -3.075246265718625
Energy: 1.0015229339416585
Energy: 1.0495694189227136
Energy: 1.001522933934792
Energy: 1.0495694189240083
Energy: 1.0015229339369498
Energy: 1.0495694189248717
Energy: -3.3575290090591894
Energy: 0.6783676331376374
Energy: -3.54113272271999
Energy: 0.678367633144543
Energy: -3.3290076449657917
Energy: 0.6783676331441113
Energy: 0.7916815233069792
Energy: -3.0209193614864334
Energy: 0.7916815233078422
Energy: -3.12001606691106
Energy: 0.791681523302663
Energy: -3.14863765160967

minimum gb energy = -5.210040992333303 eV
minimum distance =  2.34153331447151 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.9325407855328449
Energy: 0.9218342209257713
Energy: 0.9325407855328449
Energy: 0.9218342209107709
Energy: 0.9325407855308449
Energy: 0.9218342209157709
Energy: 0.9874301415827789
Energy: 0.7706091187559748
Energy: 0.9874301415837335
Energy: 0.7706091187529748
Energy: 0.9874301415797788
Energy: 0.7706091187569749
Energy: 0.8797684826531292
Energy: 0.863937190669968
Energy: 0.879768482652129
Energy: 0.8639371906689679
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Energy: 0.8606129353902362
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Energy: 0.701414496530681
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Energy: 0.9755465697249851
Energy: 0.7458532251492683
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Energy: 0.7458532251492683
Energy: 0.8831107026605985
Energy: 0.8269074858811704
Energy: 0.8831107026555984
Energy: 0.8269074858871706
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Energy: 0.8269074858891706
Energy: 0.8990585652706543
Energy: 0.9224908859980498
Energy: 0.8990585652716543
Energy: 0.9224908859930497
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Energy: 0.9224908860000498
Energy: 0.877934394076571
Energy: 0.91534582901763
Energy: 0.877934394076571
Energy: 0.9153458290186298
Energy: 0.8779343940745707
Energy: 0.9153458290186298
Energy: 0.8954510106516759
Energy: 1.0370474374584886
Energy: 0.895451010655676
Energy: 1.0370474374435337
Energy: 0.8954510106526758
Energy: 1.0370474374415335
Energy: 0.8859913362195574
Energy: 0.9128587491142396
Energy: 0.8859913362195574
Energy: 0.9128587491142396
Energy: 0.8859913362195574
Energy: 0.9128587491112395

minimum gb energy = -2.6023526138105777 eV
minimum distance =  2.33731180858395 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.7246191033229229
Energy: 0.7243832831974426
Energy: 0.7246191033235161
Energy: 0.7243832831980358
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Energy: 0.9401063486296661
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Energy: 0.9401063889069798
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Energy: 0.6985551512391728
Energy: 0.7577252502774813
Energy: 0.6985551512391728
Energy: 0.7577252502768881
Energy: 0.6985551512397659
Energy: 0.7172579396753963
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Energy: 0.7172579396765827
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Energy: 0.7172579396813281
Energy: 0.7229104399581985
Energy: 0.7172839634446582
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Energy: 0.7580472353625705
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Energy: 0.7001632144854061
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Energy: 0.7001632144854061
Energy: 0.6947934684099091
Energy: 0.9402854458950896
Energy: 0.6947934684093159
Energy: 0.9402854458944964
Energy: 0.6947934684081294
Energy: 0.9402854458921236
Energy: 0.7943653437739816
Energy: 0.9411096580724438
Energy: 0.7943653437716088
Energy: 0.9411096580742233
Energy: 0.7943653437763541
Energy: 0.9411096580760029
Energy: 0.7246191033229229
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Energy: 0.7246191033229229
Energy: 0.7243832831962562
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Energy: 0.7243832831980358
Energy: 0.7930442213860373
Energy: 0.9409383575026194
Energy: 0.7930442213812916
Energy: 0.9409383575043991
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Energy: 0.6947170198444138
Energy: 0.9401062773352866
Energy: 0.6947170198444138
Energy: 0.9401063099953196
Energy: 0.6947170198432542
Energy: 0.9401062677868307
Energy: 0.757725250276295
Energy: 0.6985551512391728
Energy: 0.757725250276295
Energy: 0.6985551512391728
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Energy: 0.6985551512391728
Energy: 0.7172579396748031
Energy: 0.7229104399605712
Energy: 0.7172579396759895
Energy: 0.7229104399617576
Energy: 0.7172579396961579
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Energy: 0.7172839634446582
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Energy: 0.7172839634452514
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Energy: 0.7223181920306051
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Energy: 0.9402854458974623
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Energy: 0.9402854459004284
Energy: 0.7943653437739816
Energy: 0.9411096580617663
Energy: 0.7943653437710156
Energy: 0.9411096580605802
Energy: 0.7943653437769473
Energy: 0.9411096580617663
Energy: 0.7246191033229229
Energy: 0.724383283195663
Energy: 0.7246191033229229
Energy: 0.7243832831926971
Energy: 0.7246191033229229
Energy: 0.7243832831921039
Energy: 0.7930442214062056
Energy: 0.9409383574996537
Energy: 0.7930442213872236
Energy: 0.9409383574960944
Energy: 0.7930442213890032
Energy: 0.94093835750084
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Energy: 0.9401062063551615
Energy: 0.694717019842068
Energy: 0.940106179707972
Energy: 0.6947170198444138
Energy: 0.9401062065751531
Energy: 0.757725250276295
Energy: 0.6985551512391728
Energy: 0.7577252502757017
Energy: 0.6985551512397659
Energy: 0.7577252502780746
Energy: 0.6985551512391728
Energy: 0.7172579396783622
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Energy: 0.7229104399564189
Energy: 0.7172579396789553
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Energy: 0.7172839634452514
Energy: 0.7223181920317914
Energy: 0.7172839634452514
Energy: 0.7223181920317914
Energy: 0.7172839634452514
Energy: 0.7223181920311983
Energy: 0.7580472353649432
Energy: 0.7001632144854061
Energy: 0.7580472353649432
Energy: 0.7001632144854061
Energy: 0.758047235363757
Energy: 0.7001632144854061
Energy: 0.6947934684087226
Energy: 0.94028544589331
Energy: 0.6947934684081294
Energy: 0.9402854458968691
Energy: 0.6947934684087226
Energy: 0.9402854458998351
Energy: 0.7943653437733884
Energy: 0.9411096580653255
Energy: 0.7943653437716088
Energy: 0.9411096580072201
Energy: 0.7943653437769473
Energy: 0.941109658063546
Energy: 0.7246191033235161
Energy: 0.7243832831926971
Energy: 0.7246191033229229
Energy: 0.7243832831932904
Energy: 0.7246191033235161
Energy: 0.7243832831938835
Energy: 0.793044221394935
Energy: 0.9409383574937217
Energy: 0.7930442213818849
Energy: 0.9409383574925354
Energy: 0.7930442213718008
Energy: 0.9409383574949082
Energy: 0.6947170198444138
Energy: 0.9401061466281511
Energy: 0.6947170198444138
Energy: 0.9401061301768817
Energy: 0.6947170198444138
Energy: 0.9401061436937881

minimum gb energy = 0.694717019842068 eV
minimum distance =  2.34024882088633 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.6862615430710103
Energy: 0.6503222956998306
Energy: 0.6862615430695903
Energy: 0.6503222956983776
Energy: 0.6862615430695903
Energy: 0.6503222956983776
Energy: 0.6550931178404379
Energy: 0.6708064898514596
Energy: 0.655093117117171
Energy: 0.6708064898514596
Energy: 0.6550931151840782
Energy: 0.6708064898514596
Energy: 0.6743321837770824
Energy: 0.7467064921863726
Energy: 0.6743321837770824
Energy: 0.7467064921863726
Energy: 0.6743321837770824
Energy: 0.7467064921849196
Energy: 0.6854233392826888
Energy: 0.640184722615944
Energy: 0.6854233392652526
Energy: 0.640184722615944
Energy: 0.6854233392739707
Energy: 0.640184722615944
Energy: -2.181857901516595
Energy: 0.6352191074085252
Energy: -3.7860011513121803
Energy: 0.6352191074099781
Energy: -2.98186834267417
Energy: 0.6352191074085252
Energy: 0.812264483853351
Energy: 0.8445865768897385
Energy: 0.8122644838548042
Energy: 0.8445865768911915
Energy: 0.8122644838431801
Energy: 0.8445865768868326
Energy: 0.7663756393632811
Energy: 0.6633342666105182
Energy: 0.7663756390176307
Energy: 0.6633342666105182
Energy: 0.7663756393632811
Energy: 0.6633342666090652
Energy: 0.6891568968309082
Energy: 0.6526542416148645
Energy: 0.6891568968309082
Energy: 0.6526542416134116
Energy: 0.6891568968309082
Energy: 0.6526542416148645
Energy: 0.7931957275670639
Energy: 0.675840558081851
Energy: 0.7922399224764485
Energy: 0.675840558090569
Energy: -2.004158339495762
Energy: 0.675840558084757
Energy: 0.6543273735197312
Energy: 0.826891882741468
Energy: 0.6543273735182783
Energy: 0.8268918827400151
Energy: 0.6543273735168254
Energy: 0.8268918828387865
Energy: 0.6474306965449909
Energy: 0.6351600710151227
Energy: 0.6474306965464438
Energy: 0.6351600710151227
Energy: 0.8171280681936192
Energy: 0.6351600710151227
Energy: 0.795200008412882
Energy: 0.7931722809244334
Energy: 0.7952000084143349
Energy: 0.7931722809084503
Energy: 0.7952000084143349
Energy: 0.793172280879423

minimum gb energy = -3.7860011513121803 eV
minimum distance =  2.34036049693208 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.744196019569786
Energy: 0.5702504763701179
Energy: 0.7441960195755016
Energy: 0.5702504763668519
Energy: 0.7441960195636621
Energy: 0.5702504763672601
Energy: 0.6270075241413368
Energy: 0.5415520870874488
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Energy: 0.6361832920149029
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Energy: 0.5794347517713672
Energy: 0.5817669718710022
Energy: 0.5794347517770828
Energy: 0.5817669718710022
Energy: 0.5794347517734085
Energy: 0.5817669718710022
Energy: 0.6192727317929928
Energy: 0.5722592809654893
Energy: 0.6192727317925845
Energy: 0.5722592809605902
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Energy: 0.5722592809614068
Energy: 0.7112981618225914
Energy: 0.7048235756768134
Energy: 0.7112981619254357
Energy: 0.7374211832853319
Energy: 0.7112981619144126
Energy: 0.7499590825883543
Energy: 0.6535900726810145
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Energy: 0.5768727755786927
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Energy: 0.6246294944738702
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Energy: 0.5567633364967167
Energy: -5.209669084849677
Energy: 0.5567633364971251
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Energy: 0.5567633364971251
Energy: -3.7255526073059944
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Energy: 0.7133019812553388
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Energy: 0.6176378553236259
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Energy: 0.5818238575680746
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Energy: 0.5818238575676664
Energy: 0.5800761573030854
Energy: 0.5818238575684829
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Energy: 0.6404626407363184
Energy: 0.5603081153270323
Energy: 0.6404626407432588
Energy: 0.5603081153286652
Energy: 0.640462640743667
Energy: 0.6265624482324177
Energy: 0.5786052181548991
Energy: 0.6265624482132295
Energy: 0.5786045666856517
Energy: 0.626562448226702
Energy: 0.5786029308699954
Energy: 0.7441960195505978
Energy: 0.5702504763713427
Energy: 0.7441960195534556
Energy: 0.5702504763705262
Energy: 0.7441960195546803
Energy: 0.5702504763721592
Energy: 0.627007524147869
Energy: 0.541552087085853
Energy: 0.6270075241454194
Energy: 0.5415520870878572
Energy: 0.6270075241429698
Energy: 0.54155208708422
Energy: 0.5602483425005984
Energy: 0.6403166026352551
Energy: 0.5602483425014149
Energy: 0.6403166025630302
Energy: 0.5602483425010066
Energy: 0.640316602609943
Energy: 0.5794347517750414
Energy: 0.5817669718665113
Energy: 0.579434751774225
Energy: 0.5817669718669195
Energy: 0.5794347517721836
Energy: 0.5817669718665113
Energy: 0.6192727318052406
Energy: 0.5722592809908014
Energy: 0.619272731806057
Energy: 0.5722592809198013
Energy: 0.6192727318052406
Energy: 0.5722592809185765

minimum gb energy = -5.209669084849677 eV
minimum distance =  2.39162810219206 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.6957632805787729
Energy: -2.1998491366536967
Energy: 0.32790181925625833
Energy: -2.28504436525764
Energy: 0.6957632805750554
Energy: -2.2864390871407316
Energy: -4.398675320934572
Energy: -1.4775608020816036
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Energy: -2.4944849876191655
Energy: -3.96087714679053
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Energy: -2.2975778468796997
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Energy: -3.583551186883871
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Energy: -3.6534469966174967
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Energy: -2.5924941342835175
Energy: -2.2730170090805393
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Energy: -2.596426845232046
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Energy: -2.336947433981853
Energy: -2.1295882829983457
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Energy: -1.8706243320840263
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Energy: -2.3730113319532182
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Energy: -2.2854971196055187
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Energy: 0.6957632805759848
Energy: -2.1970259436149044
Energy: -4.424346750322331
Energy: -1.4776005664319456
Energy: -4.4292896662416705
Energy: -2.4945207771249303
Energy: -4.430602645346661
Energy: -1.4706102694994778
Energy: -3.018896578419724
Energy: -1.9678465561638023
Energy: -3.113178850728573
Energy: -2.032466665075717
Energy: -3.111962244543204
Energy: -2.512221944404065
Energy: -2.4089882154093867
Energy: -2.435917838327502
Energy: -2.419405832287151
Energy: -2.441876952827746
Energy: -2.294481330437726
Energy: -2.662440483939794
Energy: -3.4777702177851513
Energy: -4.294446480441028
Energy: -3.514673531418321
Energy: -4.390126622487236
Energy: -3.4394121800310913
Energy: -4.3853894749317615
Energy: -2.355994564614027
Energy: -3.194469745206659
Energy: -2.2548052419879814
Energy: -3.3823546787653562
Energy: -2.450598123394117
Energy: -2.6341449003073274
Energy: -2.3213572351981373
Energy: -2.6999285373238147
Energy: -2.4164180402243165
Energy: -3.1953881458470432
Energy: -3.6722303320361314
Energy: -3.19471618623013
Energy: -3.941747389013604
Energy: -3.7166479404932145
Energy: -4.01040870342943
Energy: -3.726015100899504
Energy: -4.007394237503526
Energy: -3.5179700682556705

minimum gb energy = -4.4338692969639535 eV
minimum distance =  2.37422154106115 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.35641687995256705
Energy: -3.626465883475035
Energy: 0.3564168799328868
Energy: -3.2596747367292727
Energy: 0.35641687992267534
Energy: -3.482172820854403
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Energy: -4.063687426325559
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Energy: -4.604775289273462
Energy: -3.990697878871634
Energy: -3.770756499762908
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Energy: -2.7776008656532136
Energy: -4.101029561233041
Energy: -3.713183762039425
Energy: -4.771473892473919
Energy: -3.642773127638159
Energy: -4.382725023671065
Energy: -3.670932202527391
Energy: -4.2212673295330685
Energy: -4.460231423707732
Energy: -3.9911067707200742
Energy: -3.7412075319451166
Energy: -4.461381221472907
Energy: -3.950035755755428
Energy: -3.5864402190015765
Energy: -3.951282908886439
Energy: -3.4883652952020165
Energy: -3.6486782252656513
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Energy: -4.229054548270325
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Energy: -4.295225352780412

minimum gb energy = -6.0938946147843955 eV
minimum distance =  2.30910456818197 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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minimum gb energy = -3.4902027773550732 eV
minimum distance =  2.33654988167725 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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Energy: -4.419801435312389
Energy: -3.350851020995547
Energy: 0.3023560158739362
Energy: -3.929631782557796
Energy: 0.3023560155378376
Energy: -4.223622745489165
Energy: 0.30235601526383743

minimum gb energy = -5.522881939989064 eV
minimum distance =  2.3934435507459 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: -0.3349570411766979
Energy: -1.099948553739561
Energy: -0.33495704118776554
Energy: -1.0999485537194278
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Energy: -2.1657530756157906
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Energy: -2.5653210748915245
Energy: -1.1171892377568728
Energy: -2.5716760896390967
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Energy: -0.3349570412308065
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Energy: -0.33495704131757476
Energy: -1.0999485536942897
Energy: -0.3349570411815024
Energy: -1.0999485537269778
Energy: -2.781313563605519
Energy: -1.1155388870090144
Energy: -2.348305816085409
Energy: -1.1155388869863643
Energy: -2.231598058205026
Energy: -1.1155388870090144
Energy: -1.101114901318074
Energy: 0.377985310460943
Energy: -1.1242188034773504
Energy: 0.37798531046145784
Energy: -1.1251960453576575
Energy: 0.37798531046145784

minimum gb energy = -2.781313563605519 eV
minimum distance =  2.39594374654177 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: -3.5654619921566586
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Energy: -3.6255770113017434
Energy: -3.3704496115478793
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Energy: -3.798867519108878
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Energy: -3.8216188778905433
Energy: -4.048060014809506
Energy: -3.7251391224220223
Energy: -3.9800008391960526
Energy: -3.6548024944641444
Energy: -3.8619371007171535
Energy: -4.2496706168047975
Energy: -3.702744524652805
Energy: -3.374565448298314
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Energy: -3.7068509493258324
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Energy: -3.174103780790715
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Energy: -3.781268519607955
Energy: -4.123295051270892
Energy: -3.9650458374667226
Energy: -4.336684644793621
Energy: -4.066300757365418

minimum gb energy = -5.45116641026061 eV
minimum distance =  2.31272983167244 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -2.5763424882228514
Energy: -2.135689597851872
Energy: -2.1903456602334046
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Energy: -3.7729109833441203
Energy: -2.8857821498878318
Energy: -0.6705536176971327
Energy: -3.0644494984688353
Energy: -0.6705536565149963
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Energy: -4.435071900107128
Energy: -2.1977121382261235
Energy: -4.524466915841949
Energy: -2.109964130019512
Energy: -4.50646818451773

minimum gb energy = -4.524466915841949 eV
minimum distance =  2.34003789898119 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: -2.535495870028671
Energy: -0.764852928691946
Energy: -2.3434547475389493
Energy: -0.7648529902557141
Energy: -2.25701783891884
Energy: -0.7648528959317429
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Energy: -2.490203204500049
Energy: -1.701480665517925
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Energy: -2.4580946204122336
Energy: -2.4921048713062985
Energy: -2.7963785129480736
Energy: -2.6093826682367074
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Energy: -2.151321581054165
Energy: -2.801498028553371
Energy: -1.869487704933208
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Energy: -2.9304604593113135
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Energy: -2.7938907917971867
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Energy: -2.8304614295344943
Energy: -1.546517859990243
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Energy: -2.6156731108371853
Energy: -1.969049833496099
Energy: -2.375364234927055
Energy: -2.9284728598825103
Energy: -2.0628710736914577
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Energy: -2.511450064727533
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Energy: -2.571702198019181
Energy: -1.9229420969993776
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Energy: -2.8202613105124663
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Energy: -1.998563047655146
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Energy: -2.0743450748244836
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Energy: -2.2734406732013346
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Energy: -2.0754375789486366
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Energy: -2.9520890595639533
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Energy: -2.324792864790113
Energy: -2.4829973874985223
Energy: -2.6900020562024856
Energy: -2.431567203083509
Energy: -2.33289169158342
Energy: -0.4987275067745239
Energy: -2.478154273578331
Energy: -1.4929424586299749
Energy: -2.7931038495730838
Energy: -1.2886062242119465
Energy: -1.8058740647865694
Energy: -3.1812202625986807
Energy: -1.867762179054769
Energy: -3.2166235538593857
Energy: -1.7507295872490791
Energy: -3.220508120395248

minimum gb energy = -3.257120712200649 eV
minimum distance =  2.32666889730567 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -0.5684569829979326
Energy: -0.93808070823038
Energy: -0.5683994676527573
Energy: -0.9381082424919872
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Energy: -2.1992671602997316
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Energy: -1.1860251376047277
Energy: -2.651011333986218
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Energy: -1.0360817899603774
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Energy: -0.9592866481239843
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Energy: -1.568334724156754
Energy: -2.0265248890770047
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Energy: -1.5682961345060695
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Energy: -0.9587119768360383
Energy: -1.4211529067009405
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Energy: -4.310457656375019
Energy: -4.085896038400022
Energy: -4.274690897183563
Energy: -4.130597322660441
Energy: -4.310953562120468
Energy: -4.116277020100641
Energy: -1.0423758466532886
Energy: -2.1849952782401605
Energy: -1.042375840162788
Energy: -2.1795329115877577
Energy: -1.0423758685345337
Energy: -2.1788770003550075
Energy: -3.6243467360392216
Energy: -1.1841388397146582
Energy: -2.710084597440154
Energy: -1.1840164305952088
Energy: -2.7027305378920947
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Energy: -1.3609253852588277
Energy: -3.7659251405308725
Energy: -1.3609254057868432
Energy: -4.091073234744867
Energy: -1.3609254821451642
Energy: -4.093711670972711

minimum gb energy = -4.76609841813479 eV
minimum distance =  2.33104095956082 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: -1.1531204944356044
Energy: -1.1610142612324428
Energy: -1.1531202946648118
Energy: -1.1610142612303282
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Energy: -2.909689310091853
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Energy: -1.8247184187075587
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Energy: -3.5633849256097148
Energy: -1.8247184122635305
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Energy: -1.536970332109627
Energy: -2.870839083545097
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Energy: -1.4323533886963473
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Energy: -2.3095976578381463
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Energy: -2.3835449452726056
Energy: -1.9239686106384992
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Energy: -1.9239624577685552
Energy: -2.209579734425394
Energy: -1.9239722853201968
Energy: -4.048013748978369
Energy: -2.8025325201074582
Energy: -4.102146092878418
Energy: -2.7351144022695024
Energy: -4.0560174541180025
Energy: -2.396150565787026
Energy: -1.5007378601733197
Energy: -3.622484487935166
Energy: -1.5007378627517767
Energy: -3.4810607343995703
Energy: -1.5007378630022412
Energy: -3.5458362613336245

minimum gb energy = -4.102146092878418 eV
minimum distance =  2.3087000691989 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

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Energy: -2.95134702650531
Energy: -1.1780172795968833
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Energy: -2.9482934549801043
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Energy: -0.5096327858696253
Energy: -1.9555741649026712
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Energy: -1.975206995009123
Energy: -1.5708117632242742
Energy: -2.1007917753045313
Energy: -1.6295358399686186
Energy: -2.374767549940997
Energy: -0.9985047891488273
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Energy: -2.1908450599886633
Energy: -3.349950032095603
Energy: -2.569683296140069
Energy: -3.3499466193409924
Energy: -2.3616054212728983

minimum gb energy = -5.147216485593932 eV
minimum distance =  2.29370679884741 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: -4.3871877150870615
Energy: -4.3349609817462
Energy: -4.387137272197478
Energy: -4.3349610343480105
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Energy: -3.0755031395560084
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Energy: -3.0486302276226698
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Energy: -5.028746303754781
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Energy: -4.72520203677547
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Energy: -4.726381584481788
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Energy: -4.370696092777402
Energy: -2.9896671911760073
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Energy: -5.013374607693028
Energy: -4.716817040031865
Energy: -5.013363340850506
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Energy: -5.013362564584682
Energy: -4.669612614966112
Energy: -4.280468879379838
Energy: -3.6029225710362542
Energy: -4.280468875523356
Energy: -3.692080449359919
Energy: -4.280468871557915
Energy: -3.592899508082061
Energy: -3.1150376247969613
Energy: -4.725726725786435
Energy: -3.118296441442293
Energy: -4.731456124799198
Energy: -3.1116850200164636
Energy: -4.727178938600606
Energy: -3.133504156863042
Energy: -3.538876448934543
Energy: -3.133776472926419
Energy: -3.764559676150217
Energy: -3.1260924375088623
Energy: -3.4538732083756223
Energy: -4.726738160209992
Energy: -3.615298995774784
Energy: -4.733957570665171
Energy: -3.6261061926188085
Energy: -4.725982979819487
Energy: -3.6032272419999476
Energy: -4.976731715169999
Energy: -4.712634667518282
Energy: -4.976752416774238
Energy: -4.727815383058832
Energy: -4.976678133014459
Energy: -4.716647498670615

minimum gb energy = -5.028804109232794 eV
minimum distance =  2.30856252072436 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: -2.828843620219392
Energy: -3.2615306729061335
Energy: -2.8288367612908627
Energy: -3.2615298258609364
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Energy: -2.2116430320602625
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Energy: -3.418586506111702
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Energy: -3.3035045680877984
Energy: -2.1087844246504495
Energy: -3.3035408464727656
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Energy: -3.3034947549519376
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Energy: -3.352452739089088
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Energy: -3.6026973573641308
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Energy: -3.5912552854874638
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Energy: -3.4998403711254125
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Energy: -3.848941999751369
Energy: -3.3086652816847177
Energy: -3.8493952706080963
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Energy: -3.4844945552415507
Energy: -3.6866532215029717
Energy: -3.4844846324978924
Energy: -3.6866425841041743
Energy: -3.4844965047295564

minimum gb energy = -3.9280505926007243 eV
minimum distance =  2.31991712336835 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: -0.09509741660664574
Energy: -0.06786516195951395
Energy: -0.09509741660664574
Energy: -0.06786516195951395
Energy: -0.09509741660664574
Energy: -0.06786516195951395
Energy: 0.3826740844221715
Energy: -0.2060602324117436
Energy: 0.3826740844221715
Energy: -0.20606023241882138
Energy: 0.382674084423951
Energy: -0.20606023239038884
Energy: 0.3810908737056199
Energy: -0.06068899523771726
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Energy: -0.06786516195951395
Energy: -0.09509741660664574
Energy: -0.06786516195951395
Energy: -0.09509741660664574
Energy: -0.06786516195951395
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Energy: -0.2060602324134827
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Energy: -0.20606023240996402
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Energy: -0.20606023240640492
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Energy: -0.06068899523771726
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Energy: -0.06068899523771726
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Energy: -0.06786516195951395
Energy: -0.09509741660664574
Energy: -0.06786516195951395
Energy: -0.09509741660664574
Energy: -0.06786516195951395
Energy: 0.3826740844150532
Energy: -0.20606023238505017
Energy: 0.3826740844363676
Energy: -0.20606023239928664
Energy: 0.3826740844203919
Energy: -0.2060602323832706
Energy: 0.3810908737056199
Energy: -0.0606889952359377
Energy: 0.38109087370384026
Energy: -0.0606889952359377
Energy: 0.3810908737020608
Energy: -0.0606889952359377
Energy: -0.09509741660664574
Energy: -0.06786516195951395
Energy: -0.09509741660664574
Energy: -0.06786516195951395
Energy: -0.09509741660664574
Energy: -0.06786516195951395

minimum gb energy = -0.20606023241882138 eV
minimum distance =  2.52551369953914 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: -0.28100085485848125
Energy: -0.26631221913910014
Energy: -0.28100085485848125
Energy: -0.26631221913116043
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Energy: -0.07880497175455514
Energy: -0.10459145637171889
Energy: -0.07880497174603453
Energy: -3.590295903993797
Energy: -0.06855852084538087
Energy: -3.4450244649433963
Energy: -0.06855852084857612
Energy: -3.5821641269374527
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Energy: -0.056297543396037375
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Energy: -3.471341107700666
Energy: -0.14241618010625068
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Energy: -4.056164690903935
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Energy: -0.07996985751137942
Energy: -3.8579387975983344
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Energy: -0.12756878771415087
Energy: -0.048147479244804926
Energy: -0.12756878471939392
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Energy: -3.328262616666619
Energy: -0.053533433906055354
Energy: -3.341671738471043
Energy: -0.053533433908185504
Energy: -3.3675716791370047
Energy: -0.15589514930557005
Energy: -0.07912403920550858
Energy: -3.5592218937237807
Energy: -0.07912403920337842
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Energy: -0.03336224271331161
Energy: -0.04946770131620014
Energy: -0.03336224271650685
Energy: -0.04946778443415084
Energy: -0.03336224272662509
Energy: -0.04946796610419247
Energy: -0.13412777273892432
Energy: -3.399334284832572
Energy: -0.13412777276710044
Energy: -3.4206853374491866
Energy: -0.1341277727469124
Energy: -3.4256236506883044
Energy: -4.419873534356137
Energy: -0.07783420086619613
Energy: -4.395973520802152
Energy: -0.07783420086406598
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Energy: -0.07783420086406598
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Energy: -0.04697364980162421
Energy: -0.16817452215684373
Energy: -0.04697364980322183
Energy: -0.1681745221824056
Energy: -0.046973649804819446

minimum gb energy = -4.419873534356137 eV
minimum distance =  2.36882265849934 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: -0.3347277269974634
Energy: -0.07143201262649979
Energy: -0.33472772700201625
Energy: -0.07143201262574096
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Energy: -5.941530006452202
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Energy: -0.2550242727941347
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Energy: -0.3746710962442147
Energy: 0.05106957966093519
Energy: -0.37467108367939195
Energy: 0.05106957954939044
Energy: -0.37467108803453497
Energy: -0.268432201247128
Energy: -0.35250461575199754
Energy: -0.2684529169873707
Energy: -0.35250461575199754
Energy: -6.219187099277924
Energy: -0.3525046157504798
Energy: -0.32852337691051725
Energy: -6.037055597264455
Energy: -0.3285233777425155
Energy: -6.1157046458460895
Energy: -0.32852337684450095
Energy: -5.933150459920985
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Energy: -0.382904873048353
Energy: -5.638864724740812
Energy: -0.38290487479968144
Energy: -5.49697374952544
Energy: -0.3829048737469391

minimum gb energy = -6.770916205405385 eV
minimum distance =  2.37380132394127 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: -0.1844673936156398
Energy: 0.04289049172492247
Energy: -0.18446739361660253
Energy: 0.04289049172347835
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Energy: -0.17272134438337025
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Energy: -0.25913611172009976
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Energy: -0.17884150773855279
Energy: -0.25548337735565674
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Energy: -0.2554833773551754
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Energy: -0.3507683936365391
Energy: -0.18806954833725825
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Energy: -0.3301790571176996
Energy: 0.10327117015089776
Energy: -0.33017905712588297
Energy: 0.10327117014945364
Energy: -0.33017905722307656

minimum gb energy = -4.264317634308886 eV
minimum distance =  2.35872400192037 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

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Energy: -0.06482112073922491
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Energy: 0.15887691992089725
Energy: 0.0823024712595383
Energy: 0.3571863559521142
Energy: 0.08230247124776939
Energy: 0.35718635594948567
Energy: 0.08230247126610976
Energy: 0.35718635594948567
Energy: 0.3528107684025541
Energy: 0.23264258597677978
Energy: 0.3528107684038684
Energy: 0.23264258598072263
Energy: 0.35281076841438275
Energy: 0.23264258597940835
Energy: 0.28289634952205805
Energy: 0.23542125587646756
Energy: 0.282896349526001
Energy: 0.23542125587778184
Energy: 0.2828963495233724
Energy: 0.23542125587646756
Energy: 0.22805069233364297
Energy: 0.3742870836990828
Energy: 0.22805069233495726
Energy: 0.3742870836741112
Energy: 0.2280506923362715
Energy: 0.37428708361897056
Energy: 0.3437545407601613
Energy: 0.2363284596823543
Energy: 0.3437545407601613
Energy: 0.2363284596797257
Energy: 0.34375454075884704
Energy: 0.23632845968103997

minimum gb energy = -3.229976258010873 eV
minimum distance =  2.37149508310943 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.33338637670205756
Energy: 0.30835802270377716
Energy: 0.3333863767459374
Energy: 0.30835802095803183
Energy: 0.3333863767112954
Energy: 0.30835801333441004
Energy: 0.38256087760523166
Energy: 0.46099702127360703
Energy: 0.38256097859888444
Energy: 0.46099702127247855
Energy: 0.382561336853075
Energy: 0.46099702127247855
Energy: -2.986728914931416
Energy: 0.46880662216342306
Energy: -3.092332228701304
Energy: 0.4688066221640005
Energy: 0.6599472803018204
Energy: 0.4688066221645778
Energy: 0.4519014802715246
Energy: 0.6800177551459382
Energy: 0.4519014802726794
Energy: 0.680017755147093
Energy: 0.4519014802726794
Energy: 0.680017755148825
Energy: 0.4837390770502418
Energy: -2.6804055425560214
Energy: -3.1431054776396286
Energy: -3.854541776854088
Energy: -2.860604845887477
Energy: -3.4218195166167886
Energy: 0.170990874560695
Energy: 0.3880180318165475
Energy: 0.17469305168623198
Energy: 0.38801803147721364
Energy: 0.1709701750838513
Energy: 0.38801803251138145
Energy: 0.2608628300284504
Energy: -2.669007210859842
Energy: 0.26086086292763555
Energy: -2.42257621674633
Energy: 0.2608604861678093
Energy: -3.0007152452819428
Energy: -4.2129928472571025
Energy: 0.21332347854704206
Energy: -2.7736672285982142
Energy: 0.21332340383268325
Energy: -2.8072893532169014
Energy: 0.21332339509986237
Energy: 0.46407331820616743
Energy: 0.21359702255770507
Energy: 0.4640732371816687
Energy: 0.21359702255885982
Energy: 0.4640730777060186
Energy: 0.21359702256636556
Energy: 0.27193162773428775
Energy: 0.4295980603606451
Energy: 0.2719316889477521
Energy: 0.42949823027581824
Energy: 0.2719321451109641
Energy: -2.437388366002215
Energy: 0.3399816062315753
Energy: 0.4038016841345739
Energy: 0.33998154022347854
Energy: 0.4038016841714991
Energy: 0.339981585214974
Energy: 0.40380168415013656
Energy: -3.241415185948489
Energy: 0.39806335768274786
Energy: -3.221100017969371
Energy: 0.3980689541656116
Energy: -3.2381487203560537
Energy: 0.39808452767953845
Energy: 0.4511074276542281
Energy: 0.5926803392157054
Energy: 0.4511074276542281
Energy: 0.5926803393415188
Energy: 0.4511074276542281
Energy: 0.59268033927688
Energy: -3.390997597462408
Energy: 0.22039124664450505
Energy: -3.1261555301290542
Energy: 0.2203912781067889
Energy: -3.0138314088558356
Energy: 0.22039124543660252
Energy: 0.5809920542447459
Energy: 0.2796527867477018
Energy: 0.4557304572929042
Energy: 0.2796527796815796
Energy: 0.35229627297458305
Energy: 0.2796527824101334
Energy: 0.3250290120171878
Energy: -2.8023164691453477
Energy: 0.3250290120137236
Energy: -2.873169351144571
Energy: 0.3250290118250036
Energy: -2.639218479045633
Energy: 0.4187213522756213
Energy: 0.3614955276038852
Energy: 0.41872135035614116
Energy: 0.36149552759580206
Energy: 0.4187213513118397
Energy: 0.361495527606772
Energy: 0.2730974618633855
Energy: 0.5211975234310802
Energy: -3.1768792324545525
Energy: 0.5211975234305026
Energy: -3.2368644704304934
Energy: 0.5211975234316575
Energy: 0.27655999312915064
Energy: -2.8855496168972445
Energy: 0.2765599933969435
Energy: -3.263818154793007
Energy: 0.2765599937068317
Energy: -3.4833286728080823
Energy: -3.680403953652895
Energy: 0.34824460139584407
Energy: -2.6635039212822202
Energy: 0.3482446016301498
Energy: -2.6351829727394245
Energy: 0.3482446016665239
Energy: 0.3277721768134188
Energy: 0.5617680096136345
Energy: 0.3277727231979429
Energy: 0.5617680096050003
Energy: 0.3277727541298634
Energy: 0.5617680096298008
Energy: 0.230959979702401
Energy: -3.6594414641967274
Energy: 0.23095997969720472
Energy: -3.5068961760181883
Energy: 0.23095997970124627
Energy: -3.404417786903239
Energy: -3.1098365937220342
Energy: 0.4701136783335671
Energy: -2.6647384865536816
Energy: 0.4701136783341444
Energy: -2.917913733297656
Energy: 0.4701136783341444
Energy: -3.2825023953137324
Energy: 0.462035391458313
Energy: -2.3137023339679232
Energy: 0.4620353914588904
Energy: -2.307801374804456
Energy: 0.4620353914594678
Energy: 0.3113663004478015
Energy: 0.4048251846496007
Energy: 0.3113663005107081
Energy: 0.40482518456016137
Energy: 0.3113663004478015
Energy: 0.40482518415272467
Energy: -2.507735474659569
Energy: 0.4058972293551638
Energy: -2.600133730261173
Energy: 0.4058972293701491
Energy: -2.6552255291102442
Energy: 0.40589722936610756
Energy: 0.15627355570643955
Energy: -2.9740630945450333
Energy: -3.33915461335553
Energy: -2.321888235289633
Energy: -3.3302382806782695
Energy: -2.892678518791722
Energy: 0.4487196345135133
Energy: 0.5945042182199456
Energy: 0.44871963451409064
Energy: 0.5945042183122979
Energy: 0.44871963451409064
Energy: 0.5945042182239871
Energy: -2.9485140963979246
Energy: -3.2285534453793328
Energy: -3.65804173461972
Energy: -3.392416263948856
Energy: -2.5148229192667975
Energy: -3.039959561809356
Energy: 0.44841219259610626
Energy: 0.2809254887283225
Energy: 0.44841219277270156
Energy: 0.2809254847127932
Energy: 0.4484121926838134
Energy: 0.2809254906114286
Energy: 0.2624169905295405
Energy: -3.1318638214462795
Energy: 0.2624169904458486
Energy: -3.356491845187229
Energy: 0.26241699031888055
Energy: -2.8642916717319737

minimum gb energy = -4.2129928472571025 eV
minimum distance =  2.3164286124117 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.6789180232373487
Energy: 0.6752146994455406
Energy: 0.6789180232342664
Energy: 0.6752146994465681
Energy: 0.6789180232373487
Energy: 0.6752146994465681
Energy: 0.67390636909761
Energy: 0.8705498169219651
Energy: 0.6739063690965826
Energy: 0.8705498169240201
Energy: 0.67390636909761
Energy: 0.8705498169229927
Energy: 0.8153756138005392
Energy: 0.753460936753082
Energy: 0.8153756138015669
Energy: 0.7534609367551368
Energy: 0.8153756138025943
Energy: 0.7534609367541094
Energy: 0.6720954416713373
Energy: 1.0249144156048404
Energy: 0.6720954416703099
Energy: 1.1447672584070325
Energy: 0.6720954416723647
Energy: 0.9164446868721765
Energy: 0.8032283477231602
Energy: 0.7541206485458783
Energy: 0.8032283477262424
Energy: 0.754120648546906
Energy: 0.8032283477231602
Energy: 0.754120648546906
Energy: 0.6741861055559929
Energy: 0.7571382722879502
Energy: 0.6741861055549655
Energy: 0.8580087937549138
Energy: 0.6741861055549655
Energy: 0.7042850159267664
Energy: 0.6789180232404309
Energy: 0.6752146994455406
Energy: 0.6789180232394035
Energy: 0.6752146994445131
Energy: 0.6789180232404309
Energy: 0.6752146994455406
Energy: 0.6739063690955552
Energy: 0.8705498169086086
Energy: 0.6739063690965826
Energy: 0.8705498169106635
Energy: 0.6739063690965826
Energy: 0.8705498169116909
Energy: 0.8153756138056766
Energy: 0.7534609367520545
Energy: 0.8153756138056766
Energy: 0.7534609367510271
Energy: 0.8153756138077314
Energy: 0.7534609367510271
Energy: 0.6720954416713373
Energy: 1.0140452612816457
Energy: 0.6720954416713373
Energy: 0.9793436961861993
Energy: 0.6720954416723647
Energy: 0.9164446868742314
Energy: 0.8032283477365167
Energy: 0.7541206485448511
Energy: 0.8032283477282974
Energy: 0.7541206485458783
Energy: 0.8032283477241876
Energy: 0.7541206485448511
Energy: 0.6741861055518833
Energy: 0.7571382722838405
Energy: 0.6741861055529107
Energy: 0.7571382722869229
Energy: 0.6741861055518833
Energy: 0.7571382722848681
Energy: 0.6789180232352938
Energy: 0.6752146994455406
Energy: 0.6789180232373487
Energy: 0.6752146994455406
Energy: 0.6789180232363212
Energy: 0.6752146994455406
Energy: 0.6739063690986374
Energy: 0.8705498169147732
Energy: 0.67390636909761
Energy: 0.870549816916828
Energy: 0.6739063690986374
Energy: 0.8705498169137457
Energy: 0.8153756138015669
Energy: 0.7534609367551368
Energy: 0.8153756138015669
Energy: 0.753460936753082
Energy: 0.8153756138036217
Energy: 0.753460936753082
Energy: 0.6720954416733922
Energy: 0.916444686867086
Energy: 0.6720954416723647
Energy: 0.916444686867086
Energy: 0.6720954416733922
Energy: 0.9164446868609214
Energy: 0.8032283477334345
Energy: 0.7541206485448511
Energy: 0.8032283477324071
Energy: 0.7541206485458783
Energy: 0.8032283477313796
Energy: 0.7541206485458783

minimum gb energy = 0.6720954416703099 eV
minimum distance =  2.35455811574938 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.527332092639609
Energy: 0.5266140201275855
Energy: 0.5273320926471591
Energy: 0.5266140201275855
Energy: 0.527332092640448
Energy: 0.5266140201284244
Energy: 0.5172927957745668
Energy: 0.7485038487169097
Energy: 0.5172927957745668
Energy: 0.7485038486892263
Energy: 0.5172927957208775
Energy: 0.7485038486875485
Energy: 0.5647295217746382
Energy: 0.5167009788248735
Energy: 0.83353235778893
Energy: 0.5167009788106123
Energy: 0.5891762048827337
Energy: 0.5167009788257124
Energy: 0.7311349338472675
Energy: 0.7164413544681354
Energy: 0.7311349338472675
Energy: 0.7164413545142745
Energy: 0.7311349338472675
Energy: 0.7164413544798799
Energy: 0.7459307515360951
Energy: 0.7485622936324219
Energy: 0.7459307515344173
Energy: 0.7485622936324219
Energy: 0.7459307515335786
Energy: 0.7485622936324219
Energy: 0.6448406464636813
Energy: 0.7307488282051884
Energy: 0.644840646458648
Energy: 0.7307488282060272
Energy: 0.6448406464351972
Energy: 0.7307488282060272
Energy: 0.7342598585515295
Energy: 0.6834324490239175
Energy: 0.7342598585515295
Energy: 0.683432448841954
Energy: 0.7342598585515295
Energy: 0.6834324491245466
Energy: 0.7368164333790176
Energy: 0.6100181726337137
Energy: 0.7368164333781786
Energy: 0.6100181740097279
Energy: 0.7368164333781786
Energy: 0.6100181720224653
Energy: 0.7778257930507396
Energy: 0.752255042549645
Energy: 0.7778257927371078
Energy: 0.752255042549645
Energy: 0.7778257927824082
Energy: 0.752255042549645
Energy: 0.7316487284818033
Energy: 0.5877661689776756
Energy: 0.7316487284809643
Energy: 0.5877661693658928
Energy: 0.7316487284818033
Energy: 0.5877661693080473
Energy: 0.4951385819544208
Energy: 0.5139423099033287
Energy: 0.49513858595670596
Energy: 0.5139423096701925
Energy: 0.4951385809792451
Energy: 0.5139423098731285
Energy: 0.6217121296382452
Energy: 0.7338054480886356
Energy: 0.6217121296155951
Energy: 0.7338054480894745
Energy: 0.6217121296382452
Energy: 0.7338054480886356
Energy: 0.7322897169117684
Energy: 0.6842650118564382
Energy: 0.7322897169117684
Energy: 0.6842650118505659
Energy: 0.7322897169100906
Energy: 0.6842650118329873
Energy: 0.771236056638938
Energy: 0.7385280326118739
Energy: 0.7712360566380991
Energy: 0.7385280326101961
Energy: 0.771236056638938
Energy: 0.7385280326127128
Energy: 0.6362462257659843
Energy: 0.7238098640594338
Energy: 0.718334586897786
Energy: 0.7238098640585947
Energy: 0.7183345869799593
Energy: 0.7238098640594338
Energy: -4.4216448165962206
Energy: 0.8173964255397007
Energy: -4.273415936552597
Energy: 0.8173964255405396
Energy: -4.266491154023367
Energy: 0.8173964255397007
Energy: 0.7417973706567843
Energy: 0.8118530702389883
Energy: 0.7417973706559455
Energy: 0.8118530702389883
Energy: 0.7417973706542677
Energy: 0.8118530702373107
Energy: 0.7203962129920896
Energy: 0.7324711887444413
Energy: 0.7203962128503929
Energy: 0.7324711887444413
Energy: 0.720396212482271
Energy: 0.7324711887444413
Energy: 0.634643230742949
Energy: 0.5856096721735495
Energy: 0.6346432675582525
Energy: 0.5856104529038402
Energy: 0.6346432549971933
Energy: 0.5856031101341884
Energy: 0.7351942199901405
Energy: 0.4501498269299951
Energy: 0.7351942199893016
Energy: -4.287498230713488
Energy: 0.7351942199901405
Energy: -4.206591289208283
Energy: -4.9626025650692815
Energy: 0.7318285262103502
Energy: -4.137191212277747
Energy: 0.7318285262103502
Energy: -4.054288807480015
Energy: 0.7318285262111891

minimum gb energy = -4.9626025650692815 eV
minimum distance =  2.34398920265115 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.8055813688797187
Energy: 0.7882651717475571
Energy: 0.7417358014976924
Energy: 0.788265171748264
Energy: 0.8055813688797187
Energy: 0.7882651717510927
Energy: 0.7158888389106561
Energy: 0.7572287954168958
Energy: 0.715888838676726
Energy: 0.7572287954168958
Energy: 0.7158888383204951
Energy: 0.7572287954126531
Energy: 0.7878929287155333
Energy: 0.8072134746158168
Energy: 0.787892928719776
Energy: 0.8072134746144025
Energy: 0.787892928719776
Energy: 0.8072134746172309
Energy: 0.7765889148852914
Energy: 0.7695106203393013
Energy: 0.776588914883877
Energy: 0.7695106203385941
Energy: 0.7765889148852914
Energy: 0.7695106203378871
Energy: 0.7750932931012353
Energy: 0.7632844655786354
Energy: 0.7750932931005282
Energy: 0.7632844655779282
Energy: 0.7750932931012353
Energy: 0.7632844655772212
Energy: 0.8081071827873254
Energy: 0.7584739602903682
Energy: 0.8081071827901538
Energy: 0.7584739602896611
Energy: 0.8081071828057107
Energy: 0.7584739602910753
Energy: 0.7407113623949324
Energy: 0.7449421345976286
Energy: 0.7407113623956396
Energy: 0.7449421347220506
Energy: 0.7407113623949324
Energy: 0.744942134633692
Energy: 0.7648671468003053
Energy: 0.917178771999549
Energy: 0.7648705418721841
Energy: 0.9171787719988418
Energy: 0.7648709687868414
Energy: 0.9171787720016703
Energy: 0.49320434569928656
Energy: 0.738201191795788
Energy: 0.4932296715126352
Energy: 0.738201191795788
Energy: -3.4990634700565493
Energy: 0.7382011917972022
Energy: 0.7751719760845689
Energy: 0.6616670245707282
Energy: 0.7751719760824476
Energy: 0.6616670245389398
Energy: 0.7751719760824476
Energy: 0.6616670245650713
Energy: 0.7812227833261988
Energy: 0.7813030535929001
Energy: 0.7812227833254916
Energy: 0.7813030533914656
Energy: 0.7812227833261988
Energy: 0.781303053439518
Energy: 0.7595832311501408
Energy: 0.7578274839600395
Energy: 0.7595832311437767
Energy: 0.7578274839607465
Energy: 0.7595832311381198
Energy: 0.7578274839600395
Energy: 0.9108397056324433
Energy: 0.7820061990151438
Energy: 0.9108397056296147
Energy: 0.7820061988186591
Energy: 0.9108397056338574
Energy: 0.782006199644936
Energy: 0.7405455591410695
Energy: 0.7364998409746968
Energy: 0.7405455591431909
Energy: 0.7364998409471512
Energy: 0.7405455591424837
Energy: 0.7364998409075519
Energy: 0.8164288948013954
Energy: 0.7355643562605024
Energy: 0.8164288947929099
Energy: 0.7355643562605024
Energy: 0.8164288948049311
Energy: 0.735564356262624
Energy: 0.7754641263051558
Energy: 0.7635941600090069
Energy: 0.7754641263051558
Energy: 0.7635941600097141
Energy: 0.7754641263044487
Energy: 0.7635941600118356
Energy: 0.7756924572619076
Energy: 0.7858039462074484
Energy: 0.7756924572654431
Energy: 0.7858039462067414
Energy: 0.7756924572612004
Energy: 0.7858039462095698
Energy: 0.7757890416462301
Energy: 0.8049563206671508
Energy: 0.7757890416455231
Energy: 0.8049563206678579
Energy: 0.7757890416448159
Energy: 0.8049563206678579
Energy: 0.7907527163529997
Energy: 0.7560635608886476
Energy: 0.7362966569986116
Energy: 0.7560635608893548
Energy: 0.7907527163529997
Energy: 0.756063560884405
Energy: 0.8055813688811331
Energy: 0.788265171748264
Energy: 0.741735801496278
Energy: 0.7882651717489713
Energy: 0.8055813688839614
Energy: 0.7882651717503856
Energy: 0.7158888388937173
Energy: 0.7572287954190171
Energy: 0.7158888386753117
Energy: 0.7572287954197243
Energy: 0.7158888379713033
Energy: 0.7572287954147744
Energy: 0.7878929287190689
Energy: 0.8072134746136954
Energy: 0.7878929287183619
Energy: 0.8072134746144025
Energy: 0.7878929287190689
Energy: 0.8072134746179382
Energy: 0.7765889148852914
Energy: 0.7695106203350585
Energy: 0.77658891488317
Energy: 0.7695106203371799
Energy: 0.7765889148845843
Energy: 0.7695106203336443
Energy: 0.7750932931012353
Energy: 0.7632844655807567
Energy: 0.7750932931005282
Energy: 0.7632844655807567
Energy: 0.7750932931005282
Energy: 0.7632844655800496
Energy: 0.8081071828000537
Energy: 0.7584739602882468
Energy: 0.8081071828064179
Energy: 0.7584739602861255
Energy: 0.8081071827824076
Energy: 0.7584739602910753

minimum gb energy = -3.4990634700565493 eV
minimum distance =  2.35421316741874 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.5962683938518919
Energy: 0.6135875320896019
Energy: 0.5962683934711783
Energy: 0.6135875320902124
Energy: 0.5962683931880708
Energy: 0.6135875320902124
Energy: 0.35945882028551324
Energy: 0.6197222445548484
Energy: 0.35945881894388754
Energy: 0.6197222445536276
Energy: 0.3594588119989575
Energy: 0.6197222445579003
Energy: 0.6321605220924541
Energy: 0.6369908105430933
Energy: 0.7347957155050504
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Energy: 0.5970421410297376
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Energy: 0.3995930388718251
Energy: 0.5789318199274812
Energy: 0.39959303886694203
Energy: 0.5789318199348058
Energy: 0.39959303886633163
Energy: 0.49678442916319054
Energy: 0.4672073765657793
Energy: 0.4967844291668529
Energy: 0.46720737197590795
Energy: 0.4967844291644114
Energy: 0.4672073765395605
Energy: 0.5918019798331117
Energy: 0.6143545303911997
Energy: 0.5918019798300598
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Energy: 0.5918019798300598
Energy: 0.614354529918956
Energy: 0.6591192317060051
Energy: 0.58298397777487
Energy: 0.6591192317023427
Energy: 0.5829839777699869
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Energy: 0.6227817081567181
Energy: 0.640827150621398
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Energy: 0.5259012405466781
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Energy: 0.5259012405454574
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Energy: 0.5259012405106932
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Energy: 0.6464170565950428
Energy: 0.6098059287674299
Energy: 0.6464170565901597
Energy: 0.6098059287674299
Energy: 0.6464170565950428
Energy: 0.5340672245018707
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Energy: 0.534067224497598
Energy: 0.4567810249473697
Energy: 0.5340672245140785
Energy: 0.4567810250303265
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Energy: 0.39659770279832174
Energy: 0.5377921612987737
Energy: 0.39659770288310975
Energy: 0.5377921606660823
Energy: 0.3965977030484685
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Energy: 0.5685570170495158
Energy: 0.5897728528051791
Energy: 0.5685570170305938
Energy: 0.5897728527978546
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Energy: 0.39364615992605123
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Energy: 0.6361997884306968
Energy: 0.6220270523076145
Energy: 0.6361997883410256
Energy: 0.6220270523021209
Energy: 0.49712342494800305
Energy: 0.6071548949986085
Energy: 0.4971235103413575
Energy: 0.607154894981518
Energy: 0.49712392985313975
Energy: 0.6071548949699206
Energy: -2.286001279774889
Energy: 0.5629938109096277
Energy: -2.485217077772134
Energy: 0.5629938108986686
Energy: -2.636992737075553
Energy: 0.5629938109011101
Energy: 0.580146864520282
Energy: 0.40125879189159064
Energy: 0.5801468644769446
Energy: 0.4012587918885387
Energy: 0.6224407411711836
Energy: 0.4012587919166164
Energy: 0.5023159626071227
Energy: -2.206169804536567
Energy: 0.5023159608945218
Energy: -2.1913045170847596
Energy: 0.5023159568927839
Energy: -2.116723033989103
Energy: 0.6802360470052453
Energy: 0.6067730098144587
Energy: 0.6802360470082972
Energy: 0.6067730098065236
Energy: 0.680236047006466
Energy: 0.6067730098230041
Energy: 0.627454083815705
Energy: 0.6264262692294716
Energy: 0.6274540838004453
Energy: 0.6264262692294716
Energy: 0.6274540838102115
Energy: 0.626426269228251
Energy: -2.0301343840153625
Energy: 0.4391515957997226
Energy: -2.267559293295353
Energy: 0.43915159581131996
Energy: -2.26703996139779
Energy: 0.43915159579178764
Energy: -2.2529002009770345
Energy: 0.4852408196614471
Energy: -2.2721002221797137
Energy: 0.4852408196498497
Energy: -2.0357072836779624
Energy: 0.48524081961081283
Energy: 0.5756116055073209
Energy: 0.5109766628864144
Energy: 0.5756116055048794
Energy: 0.5109766628778689
Energy: 0.5756116055152559
Energy: 0.5109766628168582
Energy: -2.33553398323342
Energy: -2.008928626288295
Energy: -2.6355496242755105
Energy: -1.9788877620209298
Energy: -2.6514670736536576
Energy: -2.0526954069986534
Energy: 0.6575373198418424
Energy: 0.6497530157321522
Energy: 0.6575373198412321
Energy: 0.6497530157315416
Energy: 0.6575373198418424
Energy: 0.649753015730321
Energy: 0.4556179103854731
Energy: 0.3771085255933178
Energy: 0.4556179102042443
Energy: 0.37710852561587427
Energy: 0.45561790963930554
Energy: 0.377108525539604
Energy: 0.5791229869584745
Energy: 0.32707712707462105
Energy: 0.5791229870591603
Energy: 0.3270773299240365
Energy: 0.5791229854332063
Energy: 0.3270772307408974

minimum gb energy = -2.6514670736536576 eV
minimum distance =  2.3273609876871 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.5402498851379094
Energy: 0.6613240939195794
Energy: 0.5402498851357631
Energy: 0.6613240939179696
Energy: 0.5402498851352266
Energy: 0.6613240939185062
Energy: 0.5409715917503681
Energy: 0.5997905712287765
Energy: 0.5409715917589044
Energy: 0.6853871380625088
Energy: 0.5409715917503681
Energy: 0.5987577368152355
Energy: 0.691432333968443
Energy: 0.6565521748334118
Energy: 0.6914323339679064
Energy: 0.6565521748323386
Energy: 0.6914323339673698
Energy: 0.6565521748328751
Energy: 0.7166588845666501
Energy: 0.6338328585332852
Energy: 0.7166588845671867
Energy: 0.6263524109910877
Energy: 0.7166588845677231
Energy: 0.5937859545763473
Energy: 0.595844282112977
Energy: 0.6402917596026709
Energy: 0.5958442821102943
Energy: 0.6402917596042806
Energy: 0.5958442821081481
Energy: 0.6402917596021344
Energy: 0.6393838857736072
Energy: 0.7000091940170602
Energy: 0.6393838857741436
Energy: 0.7000091940154506
Energy: 0.6393838857736072
Energy: 0.7000091940154506
Energy: 0.5973212431896694
Energy: 0.6031783532518665
Energy: 0.5973212432089855
Energy: 0.6031783532529397
Energy: 0.5973212432132781
Energy: 0.6031783532518665
Energy: 0.687794996355418
Energy: 0.6009657252782019
Energy: 0.6877949963516622
Energy: 0.753952573426709
Energy: 0.6877949963564913
Energy: 0.6171701632431587
Energy: 0.64245863154343
Energy: 0.7067498593051013
Energy: 0.6424586315439665
Energy: 0.7067498593056378
Energy: 0.6424586315439665
Energy: 0.7067498593056378
Energy: 0.6067585280944032
Energy: 0.6082064053936971
Energy: 0.6067585280933301
Energy: 0.6967259636629404
Energy: 0.6067585280938668
Energy: 0.6174625474472006
Energy: 0.7127868932678624
Energy: 0.6931616809224534
Energy: 0.712786893268399
Energy: 0.6931616808055325
Energy: 0.7127868932662528
Energy: 0.6931616805904702
Energy: 0.5706849471954539
Energy: 0.5990322291057251
Energy: 0.5706849471890152
Energy: 0.687292007435435
Energy: 0.5706849471954539
Energy: 0.598529434551933
Energy: 0.6135805981599396
Energy: 0.6568898868751493
Energy: 0.6135805981610126
Energy: 0.6568898868735396
Energy: 0.613580598160476
Energy: 0.656889886873003
Energy: 0.5231220778142139
Energy: 0.6301203397998518
Energy: 0.523122077810458
Energy: 0.6833618526832033
Energy: 0.5231220778147506
Energy: 0.5833349304761088
Energy: 0.5211358529756819
Energy: 0.6395683652332247
Energy: 0.521135852972999
Energy: 0.6395683652342977
Energy: 0.5211358529740722
Energy: 0.6395683652342977
Energy: 0.6806069780955131
Energy: 0.6166286175274392
Energy: 0.6806069780965862
Energy: 0.6166286175285123
Energy: 0.6806069780955131
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Energy: 0.7127180742582505
Energy: 0.6351761890864326
Energy: 0.7127180742593235
Energy: 0.6351761890853594
Energy: 0.712718074258787
Energy: 0.6351761890853594
Energy: 0.6898454080576125
Energy: 0.6399115073357123
Energy: 0.6898454080565394
Energy: 0.6399115073351758
Energy: 0.6898454080565394
Energy: 0.6399115073351758
Energy: 0.6421518669602292
Energy: 0.7065496313303469
Energy: 0.6421518669602292
Energy: 0.7065496313287372
Energy: 0.6421518669602292
Energy: 0.7065496313292737
Energy: 0.6078673522673901
Energy: 0.6088476399973536
Energy: 0.6078673522689996
Energy: 0.6088476399973536
Energy: 0.6078673522684631
Energy: 0.6088476399984267
Energy: 0.7115923420811763
Energy: 0.7461743273655549
Energy: 0.7115923420811763
Energy: 0.7461743273956022
Energy: 0.7115923420881517
Energy: 0.7461743273650184
Energy: 0.5782232350952865
Energy: 0.6960950258481842
Energy: 0.5782232350952865
Energy: 0.6960950258476475
Energy: 0.5782232350963596
Energy: 0.6960950258481842
Energy: 0.5749933019134136
Energy: 0.6560507328339491
Energy: 0.574993301922535
Energy: 0.6560507328339491
Energy: 0.5749933019155599
Energy: 0.6560507328334125
Energy: 0.7158475614454627
Energy: 0.7765665676367437
Energy: 0.7158475614443895
Energy: 0.7765665676383535
Energy: 0.7158475614454627
Energy: 0.7765665676394266
Energy: 0.5767492847867753
Energy: 0.6797790723031043
Energy: 0.5767492847857022
Energy: 0.6797790723041774
Energy: 0.5767492847851656
Energy: 0.6797790723031043
Energy: 0.6231959763841276
Energy: 0.6201653187876528
Energy: 0.6231959763792986
Energy: 0.6201653187881894
Energy: 0.6231959763315449
Energy: 0.6201653187715561
Energy: 0.5216751549621231
Energy: 0.626956519843698
Energy: 0.5216751549723179
Energy: 0.6269565198329669
Energy: 0.5216751549605134
Energy: 0.626956519843698
Energy: 0.5278103745364775
Energy: 0.6208763641223313
Energy: 0.5278103745412578
Energy: 0.6208763641282335
Energy: 0.5278103745391602
Energy: 0.6208763641303797
Energy: 0.7764861147498984
Energy: 0.7032364410196071
Energy: 0.7764861147509714
Energy: 0.7032364410190705
Energy: 0.7764861147498984
Energy: 0.703236441018534
Energy: 0.6670340366963845
Energy: 0.6227638648235583
Energy: 0.6670340366974576
Energy: 0.622763864888433
Energy: 0.6670340366996038
Energy: 0.6227638648321432
Energy: 0.7118388961394374
Energy: 0.6153647877917647
Energy: 0.7118388961394374
Energy: 0.6153647877853261
Energy: 0.7118388961383643
Energy: 0.6153647877804971
Energy: 0.5759971510008559
Energy: 0.6080024407638204
Energy: 0.5759971510233912
Energy: 0.6080024407638204
Energy: 0.5759971510427074
Energy: 0.6080024407643569
Energy: 0.5750780487707746
Energy: 0.6174631687604699
Energy: 0.5750780487702379
Energy: 0.6174631687695914
Energy: 0.5750780487697015
Energy: 0.6174631687626163

minimum gb energy = 0.521135852972999 eV
minimum distance =  2.33932187562085 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.018374231336396058
Energy: 0.36133424718592755
Energy: 0.018374231336396058
Energy: 0.36133424718721535
Energy: 0.018374231335950248
Energy: 0.3613342471915744
Energy: 0.020920237252289683
Energy: -3.8971296791608507
Energy: 0.020920237251843877
Energy: -3.8971296791604053
Energy: 0.020920237251843877
Energy: -3.8971296791617425
Energy: 0.44082492888355723
Energy: -3.896085713867961
Energy: 1.2895862711555461
Energy: -3.8960857138671185
Energy: 1.6992525774639775
Energy: -3.896085713867515
Energy: 0.020920237250555983
Energy: -3.897129679163476
Energy: 0.020920237250110173
Energy: -3.8971296791621386
Energy: 0.020920237250555983
Energy: -3.8971296791630303

minimum gb energy = -3.897129679163476 eV
minimum distance =  2.46502795758815 Angstroms
sigma value = 1