Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8169555217027673
cohesive_energy=3.976967959450982
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: 0.012607695476900938
Energy: -0.6395551694165673
Energy: -0.7567863723096113
Energy: -0.6740358838612138
Energy: 0.012607695477417406
Energy: -0.6744734548770709
Energy: -0.6791039940196416
Energy: 1.2179994606531128
Energy: -0.7362530583758731
Energy: 1.0265506371823065
Energy: -0.6763042466511808
Energy: 1.2177732939384311
Energy: -0.756786372308607
Energy: -0.7511243017031953
Energy: 0.012607695476900938
Energy: -0.7390661503614854
Energy: -0.7567863723096113
Energy: -0.7383829523478987
Energy: -0.6779870817531706
Energy: 1.0265506371914022
Energy: -0.7573986273877117
Energy: 1.095273301192422
Energy: -0.6658343844948462
Energy: 1.0265506371944149
Energy: 0.012607695476900938
Energy: -0.6773427368843883
Energy: -0.7567863723106155
Energy: -0.6684314222348549
Energy: 0.012607695476900938
Energy: -0.648097584789158
Energy: -0.6787478388016627
Energy: 1.2192377679732656
Energy: -0.7567500491601002
Energy: 1.0265506371843152
Energy: -0.6746382321746522
Energy: 1.0952733009556788

minimum gb energy = -0.7573986273877117 eV
minimum distance =  2.32777622910035 Angstroms
sigma value = 1


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

Energy: -2.5049390729558
Energy: -0.5984846727664083
Energy: -1.352984879520436
Energy: -0.5984846727664083
Energy: -2.668822797846724
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Energy: -1.365239499265004
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Energy: -1.153800627224781
Energy: -2.0048989273650193
Energy: -1.1538062293092017
Energy: -1.9718933953792097
Energy: -1.1538035292758906
Energy: -2.26765853971147
Energy: -2.2980126204567
Energy: -2.099802457158962
Energy: -2.3024423542762524
Energy: -2.2883038305100345
Energy: -2.308944526355477
Energy: -1.128372974185534
Energy: -0.6483137332216249
Energy: -1.8646526602945994
Energy: -0.6483137331607078
Energy: -1.1179376252557405
Energy: -0.6483137332178952
Energy: -1.9233930494043934
Energy: -0.7273618250120649
Energy: -2.758207441170367
Energy: -0.7273618253475601
Energy: -1.9405699304891078
Energy: -0.7273618249089355
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Energy: -2.6385480534494254
Energy: -0.5984846727688946
Energy: -1.3529856918840166
Energy: -0.5984846727651649

minimum gb energy = -2.858956300940536 eV
minimum distance =  2.28992305691035 Angstroms
sigma value = 33


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

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Energy: -1.4030904091757854
Energy: -1.424394023912922
Energy: -1.4030904091750782
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Energy: -1.5515453888475568
Energy: -1.4872490757294454
Energy: -2.5688502635402917
Energy: -1.487249075964116

minimum gb energy = -2.584240933138444 eV
minimum distance =  2.27505608147597 Angstroms
sigma value = 51


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

Energy: -1.4894171694174743
Energy: -1.465056595444684
Energy: -1.0923445477631875
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Energy: -1.4593136172970052
Energy: -0.6951352327447706
Energy: -1.6955224196049794
Energy: -0.6951352328119083

minimum gb energy = -2.024364479345901 eV
minimum distance =  2.24847823496282 Angstroms
sigma value = 19


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

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Energy: -0.8985969387979147
Energy: -0.909561072148384
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Energy: -0.922390361934185
Energy: -0.5794338726278051
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Energy: -1.1615688988072541
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Energy: -0.9223857176571902
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Energy: -0.1968572702234468
Energy: -1.3547799532156526
Energy: -0.19685727022830607

minimum gb energy = -1.4755423149677658 eV
minimum distance =  2.22043468439418 Angstroms
sigma value = 27


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

Energy: -1.7157018514421234
Energy: -0.7221579886806635
Energy: -1.646401794131238
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Energy: -2.3028023797169923
Energy: -0.12641914840924828
Energy: -1.6078634967740253
Energy: -0.721236014271181
Energy: -2.2982229260515323
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Energy: -1.5879324531736823
Energy: -0.7270569554755617
Energy: -2.237997392536645
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Energy: -0.4183824748284841
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Energy: -0.41838246933113693
Energy: -1.6486129914738286
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Energy: -2.3395859264319765
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Energy: -2.418856205994716
Energy: -0.06328826490724992
Energy: -2.3819200635150395
Energy: -0.06333902550229624
Energy: -2.2517645816121608
Energy: -0.5917375059729875
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Energy: -0.7207798012223029
Energy: -1.6736082827212917
Energy: -0.7207797996775401
Energy: -2.275906195318677
Energy: -0.720779801582064

minimum gb energy = -2.418856205994716 eV
minimum distance =  2.28466740667194 Angstroms
sigma value = 9


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

Energy: -1.8196990261477226
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Energy: -0.9790010194547835
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Energy: -1.9177886325422129
Energy: -1.4632783127882236
Energy: -1.961344037272287
Energy: -1.4632783065289567

minimum gb energy = -2.474844572540176 eV
minimum distance =  2.24948232831133 Angstroms
sigma value = 57


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

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Energy: -0.7758724290183445
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Energy: -1.1641407737527092
Energy: -0.6932657899069127
Energy: -1.2378713964326369
Energy: -0.6932657921533116
Energy: -1.156696880192567
Energy: -0.6932657880136545
Energy: -1.2212738745598197
Energy: -0.7643947179253374
Energy: -1.296771248327937
Energy: -0.7643978694626429
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Energy: -0.7643933975953081
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Energy: -1.172905843146925
Energy: -1.0985472162071355
Energy: -1.1729058431499704
Energy: -1.1736016662830966
Energy: -1.1729058431803876

minimum gb energy = -2.0252498026960826 eV
minimum distance =  2.26677462186228 Angstroms
sigma value = 11


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

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Energy: -1.012904944031706
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Energy: -1.2033687465505967
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Energy: -1.1833533855097416
Energy: -2.6581345345837217
Energy: -1.1833533033523298
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Energy: -2.5859659307899645
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Energy: -2.7381642990614568
Energy: -1.0197434722830376
Energy: -2.92492996464266
Energy: -1.019743472482582

minimum gb energy = -3.0534989912200383 eV
minimum distance =  2.2736102751333 Angstroms
sigma value = 41


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

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Energy: -0.7814561934807538
Energy: -1.008465509050099
Energy: -1.5312170244196237
Energy: -1.0084527416669415

minimum gb energy = -2.1116159774300334 eV
minimum distance =  2.27554673737022 Angstroms
sigma value = 33


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

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minimum gb energy = -3.150418996272006 eV
minimum distance =  2.24992194752053 Angstroms
sigma value = 67


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

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Energy: -2.4774208757394263

minimum gb energy = -2.9218284841762494 eV
minimum distance =  2.33710477871774 Angstroms
sigma value = 3


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

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minimum gb energy = -3.664338092999405 eV
minimum distance =  2.25244591853171 Angstroms
sigma value = 81


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

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Energy: -1.4709006843232773
Energy: -2.459800766991498
Energy: -1.4709016642471469
Energy: -2.2333969740940853
Energy: -2.2249658224969266
Energy: -2.508940924944527
Energy: -2.224965823222821
Energy: -2.2442363668491727
Energy: -2.224965822607787
Energy: -2.17853440088929
Energy: -1.4614046975839996
Energy: -2.36527860943366
Energy: -1.4614045608640664
Energy: -2.2107897256794495
Energy: -1.461413822640224
Energy: -2.0187067704745494
Energy: -1.150861315819434
Energy: -2.633839765602433
Energy: -1.150866867893056
Energy: -2.00684986047419
Energy: -1.1508622899908292
Energy: -2.290108281502444
Energy: -1.6661745294357055
Energy: -1.3729073588100458
Energy: -1.6661745313093361
Energy: -2.3305161566522643
Energy: -1.6661745317311436
Energy: -2.4499714020440626
Energy: -1.245800437014406
Energy: -2.6356966967132136
Energy: -1.2458004370120956
Energy: -2.4056734929044064
Energy: -1.245800437015176
Energy: -2.370906830597169
Energy: -1.9663428506747949
Energy: -2.201695747045456
Energy: -1.9663428628639825
Energy: -2.3741298992255118
Energy: -1.9663429022866397
Energy: -1.730495919968219
Energy: -1.0129714783122987
Energy: -1.54750325487158
Energy: -1.0129714783461488
Energy: -1.742968497959218
Energy: -1.0129714784185382
Energy: -2.543141769404625
Energy: -1.8327607029487638
Energy: -1.384621839329191
Energy: -1.832760705054826
Energy: -2.553599109640206
Energy: -1.8327607039625369
Energy: -2.098810983432381
Energy: -1.070815916922484
Energy: -2.4985568053633482
Energy: -1.070815916915553
Energy: -2.0971394992429335
Energy: -1.070815916929415
Energy: -2.3728143021230275
Energy: -1.1894244126124556
Energy: -2.0529874762808125
Energy: -1.1894244125993638
Energy: -2.3768870229989782
Energy: -1.1894244126193863

minimum gb energy = -2.77609037249455 eV
minimum distance =  2.19061047406315 Angstroms
sigma value = 43


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

Energy: -1.2244088894680782
Energy: -0.36543367317074277
Energy: -1.5435450687524572
Energy: -0.3654336731130622
Energy: -1.2004996199921376
Energy: -0.3654336733258118
Energy: -1.8863619153306137
Energy: -1.5225968163730403
Energy: -1.8031347034944296
Energy: -1.5225968163720942
Energy: -1.8868355295874961
Energy: -1.522596816373986
Energy: -2.537901836672753
Energy: -1.811098939931021
Energy: -1.7457370624753796
Energy: -1.8110989275466542
Energy: -2.5200131471386715
Energy: -1.811098925298229
Energy: -1.771064398491349
Energy: -1.7302756798673726
Energy: -2.4762594445307458
Energy: -1.730275679974199
Energy: -1.7716850495775691
Energy: -1.730275681541873
Energy: -2.498725553131467
Energy: -1.2676872575943283
Energy: -1.382582132452249
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Energy: -2.496607823395254
Energy: -1.2676872409834983
Energy: -1.6574335187015572
Energy: -0.9569211109192577
Energy: -2.5816700474190837
Energy: -0.9569211109154739
Energy: -1.762380016357644
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Energy: -2.00136181115038
Energy: -2.526849583035377
Energy: -2.0013618112733087
Energy: -2.4372169419328134
Energy: -2.0013618105944273
Energy: -1.3582062004271558
Energy: -0.9867270122280797
Energy: -2.5265688397785815
Energy: -0.9867270123037115
Energy: -1.358206200772272
Energy: -0.9867270123169547
Energy: -1.6071939061428864
Energy: -1.7049676049212388
Energy: -1.164548630767603
Energy: -1.7049676049136715
Energy: -1.6071928946761362
Energy: -1.7049676049486495
Energy: -1.7260157097549333
Energy: -0.5420918693546105
Energy: -1.031841815930497
Energy: -0.5420918693423133
Energy: -1.690817674862017
Energy: -0.542091869361232
Energy: -1.8016343192844033
Energy: -0.4185353153019558
Energy: -1.8086396587487035
Energy: -0.4185353153029018
Energy: -1.7791276528814581
Energy: -0.4185353153038477
Energy: -1.6448381364887197
Energy: -1.283148307532352
Energy: -2.56253213442527
Energy: -1.283148307520055
Energy: -1.7014643579075641
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Energy: -1.7411402084360477
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Energy: -1.5678527822293067
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Energy: -1.7488402623319212
Energy: -1.595582672925237
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Energy: -1.8501580068572818
Energy: -1.0332946856052627
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Energy: -1.8016854693549889
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Energy: -1.7741052067285628
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Energy: -1.237270744016799
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Energy: -2.4989322260842814
Energy: -1.8194171090825908
Energy: -1.8815986368122817
Energy: -1.8194171090835365
Energy: -1.831925438639675
Energy: -0.6571460792603111
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Energy: -0.6571460792829921
Energy: -1.8469404446002449
Energy: -0.6571460792792083
Energy: -1.6469881539223865
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Energy: -1.659510167159087
Energy: -0.7016772373320094
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Energy: -0.7016772373064906
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Energy: -1.6447056416744867
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Energy: -0.30859047042478366
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Energy: -0.35597461430728183
Energy: -1.8457505818678948
Energy: -0.35597461430822774
Energy: -1.8398853420258203
Energy: -0.35597461430728183
Energy: -1.8467532899778107
Energy: -1.128538068105009
Energy: -1.8464225097474922
Energy: -1.1285380685314326
Energy: -1.8582055540263598
Energy: -1.1285380679073942
Energy: -2.4582439124508824
Energy: -1.4137493145532871
Energy: -1.7452984427669138
Energy: -1.3124915664765786
Energy: -2.5317519410097997
Energy: -1.3565140594951925
Energy: -1.796021830366842
Energy: -0.6739082823784742
Energy: -1.8468631695902726
Energy: -0.6739083655564775
Energy: -1.8479702052017328
Energy: -0.6739083006789395
Energy: -1.7435086131113327
Energy: -0.5808785959852157
Energy: -2.5137754327543442
Energy: -0.5808785959757564
Energy: -1.7745794645764725
Energy: -0.5808785960230316
Energy: -1.729821753554143
Energy: -0.7041539526043409
Energy: -2.5498451979131955
Energy: -0.7041539525769086
Energy: -1.7400675091860336
Energy: -0.7041539525532817
Energy: -1.8042561516675644
Energy: -0.4601471261932891
Energy: -2.522675367839948
Energy: -0.46014710968552314
Energy: -2.509147240944226
Energy: -0.4601470969380678
Energy: -1.646014010709185
Energy: -0.2742971445264157
Energy: -1.6718367296846242
Energy: -0.27429714452736165
Energy: -1.7713173442354706
Energy: -0.27429714452736165
Energy: -1.7330468266190817
Energy: -0.7632656667622947
Energy: -1.6544453625170181
Energy: -0.7632656668048402
Energy: -1.7710916387801796
Energy: -0.7632656666072257
Energy: -1.3435265282388453
Energy: -0.6781022666986243
Energy: -2.54448004684927
Energy: -0.6781022708465967
Energy: -1.3435265282549262
Energy: -0.6781022676328007
Energy: -2.5061698863475654
Energy: -1.8994891833323284
Energy: -1.8520049158398966
Energy: -1.8730322074230774
Energy: -1.8938115865369929
Energy: -1.8994932579146138
Energy: -1.7561785568848034
Energy: -0.900227354637039
Energy: -2.5050904039086683
Energy: -0.9002273544545594
Energy: -1.7720894365947482
Energy: -0.9002273541472592

minimum gb energy = -2.5816700474190837 eV
minimum distance =  2.21038825819265 Angstroms
sigma value = 57


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

Energy: -1.9454306387161953
Energy: -2.1019912731847685
Energy: -1.1433065653352354
Energy: -2.1019912718858564
Energy: -1.94645972726113
Energy: -2.1019912762294717
Energy: -2.720155898550367
Energy: -1.6811815316227925
Energy: -2.134253066203563
Energy: -1.6811815316178933
Energy: -2.742258319420754
Energy: -1.6811815316264669
Energy: -2.050285584780774
Energy: -1.8977687777487526
Energy: -2.1464468159086434
Energy: -1.8974120708168245
Energy: -2.025191845700633
Energy: -1.8974450847453717
Energy: -2.289526614798053
Energy: -1.9350416123687688
Energy: -2.0614229204958483
Energy: -1.9350416011632974
Energy: -2.0458359749969475
Energy: -1.9350416273693742
Energy: -2.1037340580932273
Energy: -1.9554116280887628
Energy: -2.007962845637369
Energy: -1.9554115937708538
Energy: -2.1142687103032145
Energy: -1.9554115984866367
Energy: -2.537870337137929
Energy: -1.020691460373237
Energy: -2.144276436601001
Energy: -1.0206915163553318
Energy: -2.5353575355056734
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Energy: -2.095608714193719
Energy: -1.3441728704877396
Energy: -2.6527973126201623
Energy: -1.3441728391937124
Energy: -2.126183417400436
Energy: -1.3441727571805737
Energy: -2.0798992943613483
Energy: -1.7503855255638883
Energy: -2.2103039831401254
Energy: -1.75039005354607
Energy: -2.081744875694409
Energy: -1.7501910848793458
Energy: -2.0735965295071828
Energy: -1.7941791266209117
Energy: -1.9626987094105717
Energy: -1.7941807231840372
Energy: -2.0628051968004644
Energy: -1.7941794010834597
Energy: -2.035235899224775
Energy: -0.3826489646018112
Energy: -2.1180186230620923
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Energy: -2.0653408677651655
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Energy: -2.117354460231028
Energy: -2.260428539790064
Energy: -1.977278038609439
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Energy: -2.0670841865173064
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Energy: -1.808131804389668
Energy: -0.9502446549410192
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Energy: -0.9502446514090742
Energy: -2.847020580388536
Energy: -2.0243045596875584
Energy: -2.027079101824411
Energy: -2.0243045604955543
Energy: -2.854627447599182
Energy: -2.0243046013753863
Energy: -2.247351381187691
Energy: -1.712817995650122
Energy: -2.0064863178890477
Energy: -1.7128160342387375
Energy: -2.66425584088292
Energy: -1.7128219794388848
Energy: -2.131112025153122
Energy: -0.6122232367905206
Energy: -2.079751948985906
Energy: -0.6122232363681647
Energy: -2.0219359165747797
Energy: -0.6122232425530211
Energy: -2.163740188278216
Energy: -2.090243262547511
Energy: -2.0710338228093628
Energy: -2.090244171297829
Energy: -2.094109634469713
Energy: -2.0902464452542406
Energy: -2.076222190675387
Energy: -0.26559541875198467
Energy: -2.1941678962218645
Energy: -0.26559541908131257
Energy: -2.0886616243397147
Energy: -0.9596405624926101
Energy: -2.1147700980172384
Energy: -1.6559654212431885
Energy: -2.0862158868751077
Energy: -1.6559654212260415
Energy: -2.2161737294248063
Energy: -1.6559654212419639
Energy: -2.126691367722284
Energy: -0.6056947592914603
Energy: -2.0156258144001757
Energy: -0.605694760758112
Energy: -2.15158494583407
Energy: -0.605694760832796
Energy: -2.019934488877501
Energy: -2.8387579568404036
Energy: -2.5745087228546355
Energy: -2.901221442958736
Energy: -2.1397205469496043
Energy: -2.745326426959073
Energy: -2.0427158538220502
Energy: -2.108207168685693
Energy: -2.7387295829111262
Energy: -2.118237993669434
Energy: -2.0099355534733427
Energy: -1.8814937900561588
Energy: -1.8083198406380543
Energy: -0.9558495934355168
Energy: -2.042615194110812
Energy: -0.9558504939160889
Energy: -1.7895291828175997
Energy: -0.9558380876231406
Energy: -1.987678911772029
Energy: -2.211976583761064
Energy: -1.9847799184854267
Energy: -2.211976582871035
Energy: -2.141963859831499
Energy: -2.211976582901627

minimum gb energy = -2.901221442958736 eV
minimum distance =  2.35931997807523 Angstroms
sigma value = 17


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

Energy: -1.782013476326416
Energy: -1.3159548658849851
Energy: -1.3569003206327124
Energy: -1.3159974147224311
Energy: -1.6324999830646276
Energy: -1.3158790558691054
Energy: -1.6419686403415208
Energy: -1.642544273697772
Energy: -2.296272110682515
Energy: -1.6425749375574639
Energy: -1.755781132817253
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Energy: -2.066716293333601
Energy: -1.558133676823491
Energy: -1.8679595973708307
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Energy: -1.8229068729978501
Energy: -1.5581337101032904
Energy: -1.8945140868308235
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Energy: -2.1559508949332558
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Energy: -1.9803704516655072
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Energy: -2.327541083863276
Energy: -1.6086886335648116
Energy: -2.035047352118217
Energy: -1.2367416156804092
Energy: -1.7097764224264211
Energy: -1.229383751662315
Energy: -1.9831540890342634
Energy: -1.2342516769503908
Energy: -1.9234991476677792
Energy: -1.759286501254201
Energy: -1.6968627206454159
Energy: -1.7567895522948769
Energy: -1.878152402376088
Energy: -1.949409174861062
Energy: -2.0171871926846108
Energy: -0.741445256083564
Energy: -2.3514631752926816
Energy: -0.741445256081832
Energy: -2.0038727699121632
Energy: -0.741445256097421
Energy: -2.2139566073390156
Energy: -1.5993860906087316
Energy: -1.7102890611128236
Energy: -1.5993859621919284
Energy: -2.3103396982458553
Energy: -1.599386120592056
Energy: -1.4744472787316265
Energy: -2.9622259532560458
Energy: -2.409836239204527
Energy: -2.952570386028294
Energy: -1.4314971705826036
Energy: -2.966190584209668
Energy: -1.7111068840885137
Energy: -1.0454342354777417
Energy: -2.01615141984293
Energy: -1.0454342371831193
Energy: -1.6277934383649881
Energy: -1.045434232724912
Energy: -2.0123675347846803
Energy: -1.3547776487137835
Energy: -2.052985669968489
Energy: -1.3547776349271168
Energy: -2.125269727156554
Energy: -1.3547776357945482
Energy: -2.3134993408780495
Energy: -1.037643264708331
Energy: -1.9273939576137162
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Energy: -2.312048324115286
Energy: -1.037643264708331
Energy: -2.184294242675125
Energy: -1.405989477354874
Energy: -2.273785807864158
Energy: -1.4059964112702585
Energy: -2.2518543370025164
Energy: -1.4059868253397345
Energy: -2.0731897760276854
Energy: -0.9487832879271163
Energy: -1.7075887973762782
Energy: -0.9487832883097544
Energy: -1.9906340760181511
Energy: -0.9487832880361997
Energy: -1.8925866908225257
Energy: -0.9174266015961845
Energy: -1.74990959054366
Energy: -0.917426601570203
Energy: -1.9612313496531997
Energy: -0.9174266015979167
Energy: -2.3127202622174377
Energy: -1.3906712147275666
Energy: -2.1386161163400885
Energy: -1.3906712171912525
Energy: -2.2666690061048476
Energy: -1.3906712137129849

minimum gb energy = -2.966190584209668 eV
minimum distance =  2.32296342177666 Angstroms
sigma value = 17


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

Energy: -1.356916056236465
Energy: -1.9447646180747697
Energy: -2.0634540262341634
Energy: -1.944740802711491
Energy: -1.356917316136224
Energy: -1.9447367568555318
Energy: -1.9993711823758815
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Energy: -2.054752022258507
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Energy: -1.8891877765473655
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Energy: -1.762851973618113
Energy: -1.9736738918127015
Energy: -1.9004881618804137
Energy: -1.8582194168028063
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Energy: -1.9776444031896232
Energy: -1.9004881631627437
Energy: -2.2082459132688625
Energy: -1.7860467553862207
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Energy: -1.7860467554276607
Energy: -1.806912195518758
Energy: -1.760260504268802
Energy: -2.086688407191374
Energy: -1.7602604915323354
Energy: -1.8079132061398373
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Energy: -1.9055704906069308
Energy: -1.9390761737567415
Energy: -1.9261920466787281
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Energy: -2.3370287315752387
Energy: -1.9390762751958261
Energy: -1.6229300713661223
Energy: -2.099307069851536
Energy: -1.942226494612011
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Energy: -2.050220874637912
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Energy: -1.8261634836753102
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Energy: -1.8261634946059284
Energy: -1.641144927349838
Energy: -1.826163475493202
Energy: -1.8486983261721255
Energy: -1.5003233760043806
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Energy: -1.8393202876309744
Energy: -1.5003233759983605
Energy: -2.179108208388103
Energy: -1.6547685223191217
Energy: -1.7932215481797729
Energy: -1.6547685223739395
Energy: -2.179108096888853
Energy: -1.6547685223384891
Energy: -2.2374535718618946
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Energy: -1.5211907992037952
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Energy: -2.1959407438015743
Energy: -1.4691119177542848
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Energy: -1.786046755437025
Energy: -1.7029073022913623
Energy: -1.7860467554804713

minimum gb energy = -2.3929390245685065 eV
minimum distance =  2.31475895676566 Angstroms
sigma value = 57


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

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Energy: -2.2915964694293662
Energy: -1.8272874351887654
Energy: -2.2178288342727206
Energy: -1.8272874350929749

minimum gb energy = -5.310801158255102 eV
minimum distance =  2.28599990008312 Angstroms
sigma value = 43


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

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Energy: -1.354575242937681
Energy: -1.1961628166264542
Energy: -1.4429270075643075
Energy: -1.1961628010439285

minimum gb energy = -1.6548704035383428 eV
minimum distance =  2.32303818834454 Angstroms
sigma value = 81


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

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Energy: -0.9328186577609623
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Energy: -1.1112197349841728
Energy: -1.032629310261446
Energy: -2.208448187862587
Energy: -0.9894923567630604
Energy: -1.8552036921100779
Energy: -1.0227782224821353
Energy: -2.2083391178707883
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Energy: -0.9424029316171137
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Energy: -1.0250000914909299
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Energy: -0.8943041319905105
Energy: -0.9963471561996986
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Energy: -0.9382859475495583
Energy: -1.0418087626678707
Energy: -0.9555831309018383
Energy: -2.208491091240651
Energy: -1.1148536460680778
Energy: -1.8932372832531439
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Energy: -0.9347124395774147
Energy: -1.8122382858123074
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Energy: -2.2085436416119966
Energy: -0.9858963424292297
Energy: -1.7803611563891713
Energy: -0.9462869013248851

minimum gb energy = -2.2085513198502422 eV
minimum distance =  2.35589660406497 Angstroms
sigma value = 3


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

Energy: -0.6793254036866905
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Energy: -1.6521079503920018
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Energy: -1.652107946853013
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Energy: -1.4746011345410739
Energy: -1.3642789507834203
Energy: -1.4746011345218792
Energy: -1.1366088849870326
Energy: -1.4746011345367114

minimum gb energy = -2.505137231820762 eV
minimum distance =  2.27868093384237 Angstroms
sigma value = 67


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

Energy: -1.8399891455067225
Energy: -1.4631727184766945
Energy: -2.049437772386239
Energy: -1.4631727186059311
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Energy: -3.211237605719655
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Energy: -2.0608632936965385
Energy: -1.380356976543361
Energy: -2.451056465176757
Energy: -1.3803569751739724

minimum gb energy = -3.211237605719655 eV
minimum distance =  2.27686599366296 Angstroms
sigma value = 33


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

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Energy: -1.4657490029016231
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Energy: -2.371720509406402
Energy: -1.762144365183586
Energy: -1.9514504987785566
Energy: -1.9210416735013276
Energy: -1.4826581807804406
Energy: -1.9210416671790707
Energy: -2.1193343769774433
Energy: -1.9210416711560903

minimum gb energy = -3.532057113930341 eV
minimum distance =  2.26954040175677 Angstroms
sigma value = 41


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

Energy: -3.0141902011768247
Energy: -2.4804975177023616
Energy: -1.4060777333762513
Energy: -2.4933131970114797
Energy: -2.9225687371313356
Energy: -2.537024156416334
Energy: -2.6325578897856814
Energy: -3.651312819571867
Energy: -4.152806992520923
Energy: -3.583661709458727
Energy: -2.544859424900456
Energy: -3.5647591153965976
Energy: -2.9804295541869537
Energy: -2.3060621576
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Energy: -2.3418909016601828
Energy: -2.937133120539516
Energy: -2.3291310407557897
Energy: -1.699322583675244
Energy: -3.6522267176522143
Energy: -4.091382103456391
Energy: -3.7086505868285373
Energy: -1.6901929917791976
Energy: -3.6432724398622893
Energy: -2.9475426943166356
Energy: -3.6198520485182146
Energy: -4.146377072624696
Energy: -3.5423746196596673
Energy: -2.990582827422361
Energy: -3.6156715115504388
Energy: -3.023050591655415
Energy: -3.3733560000926848
Energy: -4.14554626513114
Energy: -3.3129211017053857
Energy: -2.9937908475248505
Energy: -3.2668209038134397
Energy: -1.7347401388601285
Energy: -3.698059590143313
Energy: -4.137858449102256
Energy: -3.639411411822865
Energy: -1.6030435366604956
Energy: -3.6076678642589726
Energy: -2.908158030526446
Energy: -3.628860742315585
Energy: -4.125024605748704
Energy: -3.612100182653587
Energy: -3.0268089717211217
Energy: -3.709016212590663
Energy: -2.535037519458934
Energy: -3.196171550860847
Energy: -4.099228112000553
Energy: -3.1813089898769995
Energy: -2.3752215165852784
Energy: -3.2985949123005334
Energy: -3.0177544364554536
Energy: -3.571781313920514
Energy: -4.1469090639445625
Energy: -3.653881650909283
Energy: -3.0015420626179172
Energy: -3.6336308415257994
Energy: -1.1909524388205996
Energy: -3.6698722634449106
Energy: -4.118369274882339
Energy: -3.591483383595332
Energy: -1.0753164686674097
Energy: -3.634488966342342
Energy: -3.021783503896139
Energy: -2.299692872368365
Energy: -1.7329014084500753
Energy: -2.309706544827832
Energy: -2.9794853916657833
Energy: -2.3294393285663735
Energy: -1.1776000325947866
Energy: -3.6350944701877226
Energy: -4.121160182490233
Energy: -3.603852256854503
Energy: -1.1614136065103764
Energy: -3.564767660700553
Energy: -2.9338354198699403
Energy: -3.5336048563303124
Energy: -4.14797727084004
Energy: -3.6055329507385174
Energy: -2.963714147157567
Energy: -3.6495663458951286

minimum gb energy = -4.152806992520923 eV
minimum distance =  2.38232998849767 Angstroms
sigma value = 11


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

Energy: -0.8621115163245946
Energy: -0.8551713626009653
Energy: -0.997021340249006
Energy: -0.855171362591506
Energy: -0.9155159074666717
Energy: -0.8551713626520243
Energy: -1.1730083396145343
Energy: -1.4121555366493506
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Energy: -1.3213134756867269
Energy: -1.1730148848009485
Energy: -1.3967630606045651
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Energy: -0.6482028923315594
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Energy: -1.5318780277944613
Energy: -1.0333681664911776
Energy: -1.2890843323328973
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Energy: -1.0333681667597159
Energy: -0.9069568254729865
Energy: -1.325996046257372
Energy: -1.6448762900769693
Energy: -1.325996046256426
Energy: -0.9379022079643281
Energy: -1.325996046257372
Energy: -2.0651771362859876
Energy: -1.382035133118689
Energy: -0.9373864436849206
Energy: -1.3820351326081204
Energy: -1.8524438676117212
Energy: -1.3820351327546758
Energy: -1.3106597888552651
Energy: -1.1089530603305426
Energy: -1.8140829123817386
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Energy: -1.3106603445615266
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Energy: -1.8322627779044167
Energy: -1.3399700205428342
Energy: -0.911948774655853
Energy: -1.339970019774132
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Energy: -1.935655556568629
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Energy: -1.9356588977197855
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Energy: -1.5670628342002153
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Energy: -0.9379954151631029
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Energy: -1.594526796844604
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Energy: -0.9379954151999944
Energy: -1.2115016239037568
Energy: -1.6821372600399045
Energy: -1.3785387606906876
Energy: -0.9288222232704525
Energy: -1.3785387622810426
Energy: -1.5252757369249204
Energy: -1.3785387629816588
Energy: -1.2181119637409497
Energy: -1.0349718252392253
Energy: -0.6046132388397504
Energy: -1.0349718252203066
Energy: -1.2080674126631763
Energy: -1.0349718252326037
Energy: -1.4048784650873016
Energy: -1.392001121675766
Energy: -1.2695580723161977
Energy: -1.3920011447056964
Energy: -1.3397919370784699
Energy: -1.3920011493245514
Energy: -1.613992827893021
Energy: -0.778358382047709
Energy: -0.8894832587849637
Energy: -0.7783583815333562
Energy: -1.5363955512952143
Energy: -0.778358382817357
Energy: -1.1194254831066117
Energy: -1.2895166744006556
Energy: -1.6846845419711394
Energy: -1.2895166883593177
Energy: -1.1556848021363955
Energy: -1.2895166601025532
Energy: -1.9516851583817139
Energy: -1.3065046121640826
Energy: -0.944714826976237
Energy: -1.3062148503904707
Energy: -1.8080540169533776
Energy: -1.3064413196194218

minimum gb energy = -2.5065627173403677 eV
minimum distance =  2.24197639088287 Angstroms
sigma value = 57


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

Energy: -0.5917682955956169
Energy: -1.1924191118487786
Energy: -1.1816648153117366
Energy: -1.0999478343433229
Energy: -0.5917683443931891
Energy: -1.0802394841997278
Energy: -1.7573846506944846
Energy: -1.478420749160856
Energy: -1.3874468909881448
Energy: -1.5768171000623392
Energy: -1.7640067576018805
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Energy: -1.5176105524091188
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Energy: -1.4849395871879145
Energy: -1.3932139213613908
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Energy: -1.3211886203281957
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Energy: -1.3222322480193247
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Energy: -1.549022167748083
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Energy: -1.4492931897340358
Energy: -1.4889765227716183
Energy: -1.0513112739322021
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Energy: -1.834014629165557
Energy: -1.1013279453757603
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Energy: -1.8191060931219019
Energy: -1.070424544999065
Energy: -1.0891094201867086
Energy: -1.6235304818475957
Energy: -1.7370006286412227
Energy: -1.6399251952117533
Energy: -1.2402948563971155
Energy: -1.6200090566148728
Energy: -1.4590993806294716
Energy: -1.473292858225983
Energy: -1.2321230010322788
Energy: -1.5088530654417067
Energy: -1.4571312209104776
Energy: -1.4844682920403367
Energy: -1.3115725846205288
Energy: -0.4259700046735038
Energy: -1.3484611894559377
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Energy: -1.3006008355842553
Energy: -1.5318671120644711
Energy: -1.2653230230432866
Energy: -1.5131686320143733
Energy: -1.4994884049939672
Energy: -1.4914073179707035
Energy: -1.267896015548445
Energy: -1.4911538605265802
Energy: -1.4492932291261005
Energy: -1.5567725928624851
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Energy: -1.3810692575948662
Energy: -0.5917683342440049
Energy: -1.1672516957804868
Energy: -1.5360594402348493
Energy: -1.068613746663253
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Energy: -1.7633979316862816
Energy: -1.5400913470917699
Energy: -1.3077449564867718
Energy: -1.5076999457371005
Energy: -1.7339068623040579
Energy: -1.4711713762981495
Energy: -1.5039816746083372
Energy: -1.489300965055502
Energy: -1.5102989122675288
Energy: -1.5335410984854598
Energy: -1.2322282907878035
Energy: -1.4943822735302863
Energy: -1.302784642723155
Energy: -0.602030530392541
Energy: -1.3982372551736675
Energy: -0.4635730316159299
Energy: -1.3325770331985325
Energy: -1.286131387661122
Energy: -1.5096972935207054
Energy: -1.5186287569983687
Energy: -1.269116541399309
Energy: -1.4926363368837787
Energy: -1.4991901814499444
Energy: -1.4805264406052898

minimum gb energy = -1.834014629165557 eV
minimum distance =  2.25636379245816 Angstroms
sigma value = 9


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

Energy: -1.191766487733406
Energy: -1.2490020079383441
Energy: -2.066014533195217
Energy: -1.2514867389186857
Energy: -1.142782494464918
Energy: -1.2487283150886626
Energy: -1.6270729169105562
Energy: -1.5069410693967167
Energy: -1.5500335938136751
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Energy: -1.6187368650785625
Energy: -1.5069410477565812
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Energy: -1.9072430532793045
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Energy: -2.2742057212787907
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Energy: -1.5068728641157552
Energy: -1.4496209288391793
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Energy: -1.6004774664717603
Energy: -1.5369350053209214
Energy: -1.9473163499615371
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Energy: -1.6318649350986734
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Energy: -2.333512753187921
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Energy: -2.1401916983771625
Energy: -1.6386323536211334
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Energy: -1.6386323536197591
Energy: -2.3188025740007
Energy: -1.7727345355247663
Energy: -2.7508363084148404
Energy: -1.9284666233578398
Energy: -2.293759087733622
Energy: -1.8142157709184237
Energy: -2.6457041284678446
Energy: -2.1711759142984035
Energy: -1.7244794755941928
Energy: -2.2718227031872456
Energy: -1.8968749080994647
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Energy: -1.7054145682153312
Energy: -1.633255193583573
Energy: -1.8698083755898771
Energy: -1.7307730005429902
Energy: -1.82534659413469
Energy: -1.7260819340021296

minimum gb energy = -3.4072826481215577 eV
minimum distance =  2.30455262707951 Angstroms
sigma value = 27


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

Energy: -2.0414310302217236
Energy: -1.5725386680396372
Energy: -1.0071982349636641
Energy: -1.5725386682573619
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Energy: -1.9664900701878956
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Energy: -1.709013486676822
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Energy: -1.6704004395328351
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Energy: -1.3207873116737863
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Energy: -1.4675646512874578
Energy: -1.3174526441213097
Energy: -1.467564653809631
Energy: -1.4637782375459112
Energy: -1.4675646473061947

minimum gb energy = -2.2381931553929726 eV
minimum distance =  2.25405751118204 Angstroms
sigma value = 19


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

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Energy: -1.0899282410004891
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Energy: -0.7695433670898264
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Energy: -1.1440043058774343
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Energy: -1.3707588502195034
Energy: -1.363093941480702
Energy: -1.3952383538055628
Energy: -1.0477845752231196
Energy: -1.0850450228421042
Energy: -1.0477843982009845
Energy: -1.4384066690986776
Energy: -1.047784515053893
Energy: -1.0992483335988668
Energy: -1.0325165331130226
Energy: -0.6221846498450642
Energy: -1.0324959383105594
Energy: -1.1070716789907848
Energy: -1.0325184710352286
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Energy: -0.7452438800991796
Energy: -1.6222507043238077
Energy: -0.7003312067688131
Energy: -1.435064241452647
Energy: -0.9424934106138374

minimum gb energy = -1.8200008442574231 eV
minimum distance =  2.30193019108132 Angstroms
sigma value = 101


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

Energy: -1.436194665385221
Energy: -1.6498523525993465
Energy: -0.8806745615283765
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Energy: -0.8850628310016774
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Energy: -0.9054462404036432
Energy: -1.1082189248073646
Energy: -0.9054462404089176
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Energy: -0.9528690487029563
Energy: -0.8816197341014727
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Energy: -0.9528686086660288
Energy: -0.9811473430387728
Energy: -0.5805981721747726
Energy: -0.9717461952492483
Energy: -0.5805981722055403
Energy: -0.9926194971003479
Energy: -0.5805981722090566
Energy: -0.6073122457267908
Energy: -1.044531203184953
Energy: -1.128932929158085
Energy: -1.044531203813214
Energy: -0.6073122457303071
Energy: -1.0445312031867113
Energy: -0.6438131000845398
Energy: -0.7104202122021156
Energy: -0.9574989259811886
Energy: -0.7104202087805458
Energy: -0.6438130653649696
Energy: -0.7104202092198847
Energy: -1.2139192755713017
Energy: -0.8168445542407365
Energy: -0.778195592796764
Energy: -0.8168445541555059
Energy: -1.1987882291007854
Energy: -0.816844554393616

minimum gb energy = -1.6498523536388157 eV
minimum distance =  2.29047793354362 Angstroms
sigma value = 33


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

Energy: -0.2405953504731026
Energy: -1.2332311323366378
Energy: -1.6894383232635954
Energy: -1.23323111868998
Energy: -0.240595350473833
Energy: -1.2332311401097267
Energy: -3.0242087464437613
Energy: 0.09658262641005984
Energy: -2.9189174877917115
Energy: 0.0965826264179116
Energy: -2.8909298728270434
Energy: 0.09658262641935211
Energy: -1.6894383232642851
Energy: -1.2332311180182585
Energy: -0.2405953504759633
Energy: -1.2332311321467346
Energy: -1.6894383232635954
Energy: -1.2332311102251647
Energy: -2.921744592573416
Energy: 0.09658262641578129
Energy: -2.9895704155072997
Energy: 0.09658262642148244
Energy: -2.915559017118243
Energy: 0.09658262640863961

minimum gb energy = -3.0242087464437613 eV
minimum distance =  2.39811100605572 Angstroms
sigma value = 1