Model name: model_name=EAM_Dynamo_MendelevHanSon_2007_VFe__MO_249706810527_005
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=3.65840482711792
cohesive_energy=3.892708402587109
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.728656848143099e-20, 1.88034654119508e-19, 2.46448412018514e-19, 3.0013574884721997e-19, 3.53749385550762e-19, 4.04035301385486e-19, 4.47627323243358e-19, 4.83900602237118e-19, 5.13207617226246e-19, 5.36365478294082e-19, 5.547841008785459e-19, 5.6960423474304595e-19, 5.81623763851314e-19, 5.91429084851394e-19, 5.994543876110999e-19, 6.05988063924552e-19, 6.11212761928026e-19, 6.152774840484839e-19, 6.18321619653084e-19, 6.20518203818298e-19, 6.22025852030892e-19, 6.22975942774854e-19, 6.23475821884662e-19, 6.2363123301816e-19, 6.23448584881884e-19, 6.2283014470116e-19, 6.21650942698536e-19, 6.197635786236839e-19, 6.170014261066679e-19, 6.132331066635e-19, 6.083721027559439e-19, 6.023222837859599e-19, 5.949218299135139e-19, 5.8584389710527e-19, 5.746863390260939e-19, 5.609316526232039e-19, 5.4365858633205e-19, 5.205039296174819e-19, 4.8676529405871e-19, 4.358769598096019e-19, 3.60251018331534e-19, 2.53707874347168e-19, 1.087472583797598e-19, -8.56725502792284e-20, -3.72307397502384e-19, -8.31367853205966e-19, -1.61714096376156e-18, -3.07928735994996e-18, -6.07359527123256e-18, -1.2797401885841339e-17, -2.9464348734586794e-17, -7.665966584232479e-17, -2.3832697866076797e-16]
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: 0.014658381335933605
Energy: 0.5673795055421729
Energy: 0.015146014836333514
Energy: 0.016086587155080097
Energy: 0.5683746031865534
Energy: 0.015138580444150765
Energy: 0.5673795075751404
Energy: -5.41080880040164
Energy: -5.462070404533275
Energy: -5.466100873100346
Energy: -5.380752406951463
Energy: 0.04056438395526827
Energy: 0.015146014836333514
Energy: -5.483414698672898
Energy: 0.03948351772431848
Energy: 0.015141104500043521
Energy: -5.440451003072642
Energy: 0.042236952396380444
Energy: 0.01608658715477389
Energy: -5.547678098163206
Energy: 0.015141104499124891
Energy: 0.01656471118029725
Energy: -5.427099476853186
Energy: 0.015231936262608157
Energy: 0.5683746014696295
Energy: -5.380492376112869
Energy: -5.449470867553339
Energy: -5.445851316645524
Energy: -5.303534022988375
Energy: -5.450201371769892
Energy: 0.015138580444422952
Energy: 0.04055890575620844
Energy: 0.04223506997260066
Energy: 0.015231936259341907
Energy: -5.408379874608459
Energy: 0.015201215902866145

minimum gb energy = -5.547678098163206 eV
minimum distance =  2.57601463640105 Angstroms
sigma value = 1


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

Energy: 0.7815164223786811
Energy: -5.07728414404452
Energy: -2.8979136543940553
Energy: -2.6345256676296134
Energy: -3.1145320093875015
Energy: -2.826747432729403
Energy: -2.8401779060344374
Energy: -3.598748304327835
Energy: -3.0325126655526766
Energy: -3.719861615548348
Energy: -5.101248892719532
Energy: -4.14335080509018
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Energy: -2.7110466290382904
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Energy: -3.6068834870115327
Energy: -2.8789768132402593
Energy: -2.889984394556335
Energy: -2.936367979417911
Energy: -2.8105436895546827
Energy: -2.5838035431671456
Energy: -3.1080405077842745
Energy: -2.8850638735346257
Energy: -3.1273979487395693
Energy: -3.278078568324427
Energy: -2.8622396851183596
Energy: -2.6003942063911984
Energy: -3.046087618173878
Energy: -2.7384429714548757
Energy: -2.491145840957359
Energy: -2.831763458050682
Energy: -2.294967236799519
Energy: -2.6637278244675584
Energy: -2.8774254181237326
Energy: -2.521230006221726
Energy: -4.224058747494697
Energy: -3.029867929731079
Energy: -2.8070455881387733
Energy: -2.822831132666037
Energy: -2.4971626640429676
Energy: -2.9518756567651727
Energy: -2.8896901246057003
Energy: -3.3062524303090144
Energy: -2.7703768844651115
Energy: -3.3639635919423765
Energy: -3.4552687871347567
Energy: -3.8623486110928362
Energy: -3.062149243473706
Energy: -3.23949666822968

minimum gb energy = -5.8101702899252645 eV
minimum distance =  2.26422712683338 Angstroms
sigma value = 33


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

Energy: 1.2587351657568318
Energy: -2.9364463758788353
Energy: -3.6660798623252084
Energy: -4.4368772785934585
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Energy: -2.4094589560298703
Energy: -2.3674434025425657
Energy: -2.2741380006683576
Energy: -3.2427384115698743

minimum gb energy = -4.4368772785934585 eV
minimum distance =  2.23460189423229 Angstroms
sigma value = 51


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

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Energy: -1.887764386869801
Energy: -1.8169502434902163
Energy: -1.5440257007860154
Energy: -1.9747891859757494
Energy: -1.7753537412593074
Energy: -1.8125129905457793
Energy: -1.8966597788878112
Energy: -1.6062567266572383
Energy: -1.6198635257000582
Energy: 0.7581413380560663
Energy: -1.728883923242763
Energy: -1.3879293114489457
Energy: -1.6200138905615054
Energy: -1.7428057954719849
Energy: -1.8414552206923316

minimum gb energy = -2.9036330584123635 eV
minimum distance =  2.27745665301586 Angstroms
sigma value = 19


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

Energy: 0.7516514663877145
Energy: -1.5675253606007113
Energy: -0.03137062787064146
Energy: -0.7698805052212276
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Energy: -1.6216086734156336
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Energy: -0.016918045074292107
Energy: -1.3365277233645276
Energy: -1.5500489098026713
Energy: -0.021278968276448273

minimum gb energy = -1.8613371262281615 eV
minimum distance =  2.30130027709311 Angstroms
sigma value = 27


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

Energy: 0.7013348589251263
Energy: -2.389885164331454
Energy: -1.667404802054005
Energy: -1.3524690995928217
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Energy: -2.0577540546496995
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Energy: 0.4169052220510135
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Energy: -2.164465165092384
Energy: -2.01706026631468
Energy: -1.862638389716561
Energy: -2.16496469121509
Energy: -1.836014668299652
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Energy: -1.8622974887981354
Energy: -1.4560663693826321
Energy: -1.872795563460744
Energy: -1.6493408824337175

minimum gb energy = -2.979128267683792 eV
minimum distance =  2.33797831196656 Angstroms
sigma value = 9


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

Energy: -2.522716785470737
Energy: -2.4112301925538975
Energy: -2.8152520937190695
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Energy: -3.0038123553150333
Energy: -3.545584653665833
Energy: -2.807631518458607
Energy: -3.158035983001462

minimum gb energy = -5.957805675567533 eV
minimum distance =  2.30389230435834 Angstroms
sigma value = 57


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

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Energy: -2.984970777368224
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Energy: -2.5659943001606256
Energy: 0.3919259961632474
Energy: -2.422136955621262
Energy: -2.791052197553259
Energy: -2.9972251884551495
Energy: -2.1913190661386417
Energy: -2.8367478415846294
Energy: -0.22962915333204806
Energy: -2.562742742418469
Energy: -2.627490348082127
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Energy: -2.632760128891759
Energy: -2.6447710076475737
Energy: -2.112963241893169
Energy: -2.5459127235876315
Energy: -2.4366513440477555
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Energy: -2.078197402169122
Energy: -2.1219457782774924
Energy: -1.9297579461515333
Energy: -2.1530637150745155
Energy: -2.1319823278593466
Energy: -2.313318358435607
Energy: -1.9975365698753182
Energy: -1.833526150613095
Energy: -2.2816401032896114
Energy: -2.6645728815625627
Energy: -2.4974513659015125
Energy: -2.596264866354889
Energy: -2.2422591421761906
Energy: -0.253728491606034
Energy: -2.175361394979521
Energy: -2.7418582090519985
Energy: -2.8502718916623215
Energy: -2.910309826323271
Energy: -2.5457625284254757
Energy: -2.7280598423662217
Energy: -2.3230498581972316
Energy: -2.57039784674616
Energy: -2.5477307515019527
Energy: -2.548763650609625
Energy: -2.4065415446565233
Energy: -2.335719386793135
Energy: -2.0267231593794848
Energy: -2.384404013365859
Energy: -1.8677704832357283
Energy: -2.158772995255269
Energy: -2.1687075834494216
Energy: -2.0880520140506613
Energy: -2.243144245237142
Energy: -2.3826131730667512
Energy: -2.1466802734366097
Energy: -2.8210730520945404
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Energy: -2.613400682188958
Energy: -2.6447318865861225
Energy: -2.5748257841406006
Energy: -2.2627773964590103

minimum gb energy = -3.2657638515007537 eV
minimum distance =  2.31669565195519 Angstroms
sigma value = 11


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

Energy: -4.0238857901506915
Energy: -3.0255088639629424
Energy: -3.8961935037417277
Energy: -4.186081037480444
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Energy: -3.430286284563664
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Energy: -3.3984083879836517
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Energy: -3.5799948546574645
Energy: -3.300126398013045
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Energy: -3.226122692164644
Energy: -3.6656213131043867
Energy: -2.971957160558366
Energy: -3.821458644101102
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Energy: -4.172420626735659
Energy: -3.139826206089307
Energy: -3.4218320060136693
Energy: -3.476624392506765
Energy: -3.756344428802398
Energy: -3.7849244586613153
Energy: -3.8398170179393376
Energy: -3.792973843433501
Energy: -3.406747784789992
Energy: -4.0277855719875735
Energy: -3.936407567719426
Energy: -3.9432382987687147
Energy: -3.9486438604245113
Energy: -4.153568078168589
Energy: -3.6873793657999525
Energy: -4.032111730748675
Energy: -3.792800625411577
Energy: -4.1227074660361405
Energy: -3.5931032614462906
Energy: -4.029971554559038
Energy: -2.8425163425075985
Energy: -3.8326704382424035
Energy: -3.5204952630734234
Energy: -3.8088736274868316
Energy: -3.644938127738598
Energy: -3.255662793468146

minimum gb energy = -4.5189490648234205 eV
minimum distance =  2.27147714478362 Angstroms
sigma value = 41


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

Energy: -1.6558903423566695
Energy: -1.791520214193458
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Energy: -2.165693689495251
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Energy: -1.501337786646055
Energy: -2.5186879620845732
Energy: -1.7143865305790031
Energy: -1.0384569387120912

minimum gb energy = -2.876842704519532 eV
minimum distance =  2.26445024902112 Angstroms
sigma value = 33


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

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minimum gb energy = -4.299336028538971 eV
minimum distance =  2.32437480433722 Angstroms
sigma value = 67


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

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minimum gb energy = -2.1480513472697185 eV
minimum distance =  2.37605813167303 Angstroms
sigma value = 3


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

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minimum gb energy = -7.584934913774497 eV
minimum distance =  2.28461924255263 Angstroms
sigma value = 81


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

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Energy: -4.902203635588871
Energy: -4.741969542805577
Energy: -2.631112250579331
Energy: -2.8567217333379054
Energy: -4.791566867364444
Energy: -3.6805228498179403
Energy: -4.5192796726494775
Energy: -4.105745845415464
Energy: -2.7350399865728656
Energy: -3.5703694267654003
Energy: -4.75316031449549
Energy: -4.16160461055939
Energy: -3.409830710124533
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Energy: -4.0083782387463724
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Energy: -3.9002242658020565
Energy: -3.2238149047630382
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Energy: -2.004606769781278
Energy: -3.5276397808170232
Energy: -3.117272287199233
Energy: -2.427681931981222
Energy: -3.7202478135860977
Energy: -3.25995907466146
Energy: -2.5845576902734955
Energy: -3.102087368453762
Energy: -3.4330361598940615
Energy: -3.4279760017795753
Energy: -3.149715612050457
Energy: -4.226761265640681
Energy: -2.5596703443681013
Energy: -4.467023105887756
Energy: -4.443540555371764
Energy: -4.1125531282837136
Energy: -2.01320607210288
Energy: -1.7801275812503892
Energy: -2.534435410706394
Energy: -4.121790382498023
Energy: -4.000691439776074
Energy: -2.2195341960876798
Energy: -3.8043603008548867
Energy: -3.8922803206840513
Energy: -2.449976093833843
Energy: -2.249489310946104
Energy: -2.3727590894914474
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Energy: -3.756073337243091
Energy: -4.39046064100734
Energy: -2.576881185301596
Energy: -4.7129550672102525
Energy: -2.7355190555602618
Energy: -2.08106218773446
Energy: -2.4158058290529616
Energy: -2.186324336363778
Energy: -2.629162660274909
Energy: -3.5217432441514167
Energy: -4.148422568451698
Energy: -3.9092712930848563
Energy: -3.941886884335921
Energy: -4.262760443609624
Energy: -2.676799679831353
Energy: -4.0844205811046566
Energy: -2.516310820794104
Energy: -4.284795650446097
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Energy: -2.5351511803127456
Energy: -2.5801258210757645
Energy: -2.687812680737777
Energy: -2.599087133820427
Energy: -3.102811959060808
Energy: -3.707321189824485
Energy: -2.798656565222297
Energy: -2.601313893926858
Energy: -4.928008451066933
Energy: -4.714378412681533
Energy: -2.8615000063735545
Energy: -1.5802300032795888
Energy: -4.4024114538392025
Energy: -2.7180815500091016
Energy: -2.7282419675067775
Energy: -2.6800604092958875
Energy: -2.8317622725813307
Energy: -2.539271596685724
Energy: -2.9916174037671586
Energy: -2.302248419734025
Energy: -4.062680724229179
Energy: -4.1266138069443645
Energy: -4.653653783802224
Energy: -4.433877829935338
Energy: -4.5615304097408975

minimum gb energy = -5.06794455155479 eV
minimum distance =  2.28027919612187 Angstroms
sigma value = 43


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

Energy: -1.6367442998573511
Energy: -1.2047372216431782
Energy: -1.3708161866288036
Energy: -1.5192797294478135
Energy: -1.1911222275536029
Energy: -3.329066878800113
Energy: -2.1538960830625893
Energy: -2.016148654621272
Energy: -1.8571722303830072
Energy: -1.8067790348054709
Energy: -2.161624280575684
Energy: -2.1437284623831703
Energy: -2.1793512371073884
Energy: -3.021331564728799
Energy: -2.981409663574238
Energy: -2.075395463771618
Energy: -2.039054317843892
Energy: -3.13271759337177
Energy: -2.332159529477262
Energy: -2.5767223449922634
Energy: -2.640481047016004
Energy: -2.5447944483790894
Energy: -2.049993804450766
Energy: -3.0686369654136807
Energy: -2.2663037174331526
Energy: -1.6996236768564705
Energy: -1.5625771037830885
Energy: -2.812090680460383
Energy: -2.720474701891824
Energy: -2.951840542060618
Energy: -2.3241704246084502
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Energy: -1.575749316112094
Energy: -1.689032788616768
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Energy: -2.1768704633087053
Energy: -2.5143109150446836
Energy: -1.9931080300046766
Energy: -2.4570864355293964
Energy: -2.5535277345403493
Energy: -1.778816635096798
Energy: -2.029001189735561
Energy: -2.0250473453575744
Energy: -2.0528525555741415
Energy: -3.7376567736729784
Energy: -2.1062364131674083
Energy: -2.033956284011841
Energy: -2.03918255829052
Energy: -2.46232591602292
Energy: -1.777594540903171
Energy: -2.2591620366954874
Energy: -1.9529325279416212
Energy: -1.5806752768327217
Energy: -1.898169279014236
Energy: -1.5334471763890554
Energy: -3.325152699541019
Energy: -1.9339967729518246
Energy: -2.6877535816961253
Energy: -2.6410896049401984
Energy: -2.0462414597842584
Energy: -2.6832296408791643
Energy: -2.2616944030108086
Energy: -2.146237801096783
Energy: -2.945889687145457
Energy: -1.8375167555740712
Energy: -1.9440117127949537
Energy: -2.012347800904843
Energy: -1.7660314525043026
Energy: -2.4476099543869685
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Energy: -1.7332785559451505
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Energy: -1.7316974134443213
Energy: -1.82282227872609
Energy: -3.0623067930229397
Energy: -2.122024430633066
Energy: -1.7808164249176406
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Energy: -2.1562993369955743
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Energy: -3.6197757134753776
Energy: -1.703264796863749
Energy: -2.5078978841866872
Energy: -2.239821257940466
Energy: -1.743074862322931
Energy: -1.7443987572828132
Energy: -2.1870999859789895
Energy: -1.8641797573356218
Energy: -1.7677300662873354
Energy: -2.2453167494854798
Energy: -2.786022595788152
Energy: -2.6657493517934463
Energy: -3.6061853571944185
Energy: -2.1271435872944418
Energy: -3.1904969946043433
Energy: -2.252786114147153
Energy: -3.0673015183169587
Energy: -3.2482253039450195
Energy: -2.7908150212319893
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Energy: -3.4052743615210916
Energy: -2.300971629254731
Energy: -2.735909390691908
Energy: -2.7105206888563713
Energy: -2.3958885365691502
Energy: -2.3214026639503067
Energy: -2.748425943463698
Energy: -1.7963669279519996
Energy: -1.8702965858158485
Energy: -2.1720032885326024
Energy: -2.4524172719743413
Energy: -1.7328239579251938
Energy: -1.7461267368182838
Energy: -1.7855212696776375
Energy: -1.768998770567747
Energy: -1.686838767052683
Energy: -3.0176613153093976
Energy: -3.114066280335374
Energy: -2.6018719262899634
Energy: -2.1990793363108194
Energy: -2.030934318269312
Energy: -1.562491692044884
Energy: -1.7580484558518334
Energy: -2.0408409488182224
Energy: -1.4608915245129817
Energy: -1.7460767689016203
Energy: -1.5882085740820557
Energy: -3.5079856286668067
Energy: -1.4874803902936364
Energy: -1.7243618861485694
Energy: -3.3878130735876457
Energy: -2.1590162027542825
Energy: -2.106403521225275
Energy: -2.2890893042330163
Energy: -2.3154798172563194
Energy: -1.7219753281520558
Energy: -2.3599787511093817
Energy: -2.0969768340563593
Energy: -3.17789307309141
Energy: -3.2440703476180457
Energy: -2.5014844563869465
Energy: -3.2388268972911476
Energy: -2.9076044979133058
Energy: -1.9212582712581832
Energy: -1.7684440014368874
Energy: -1.7925880537348722
Energy: -1.9075138078551406
Energy: -2.0261783806163463
Energy: -1.7833765764180176
Energy: -2.239954647588854
Energy: -2.8605796135782295
Energy: -1.7287100978225023
Energy: -2.8166166431748385
Energy: -3.0050647602538954
Energy: -1.7947331010184886
Energy: -2.259023851109221
Energy: -1.9893980647347458
Energy: -3.0647412325202628
Energy: -2.4334701402026404
Energy: -1.776157125640709
Energy: -1.7145396124657217
Energy: -2.0901978577203666
Energy: -2.471345336127819
Energy: -2.1449016377818415
Energy: -2.935180270259041
Energy: -2.803053884622292
Energy: -1.8481149199431868
Energy: -2.01624766831615
Energy: -1.6667802339827609
Energy: -3.41529720183987
Energy: -1.7227821292042065
Energy: -3.164013520227158
Energy: -3.351381152063027
Energy: -2.2106318802698635
Energy: -2.4917452335318218
Energy: -1.5626278000979927
Energy: -1.7587490118433657
Energy: -1.5936269164698693
Energy: -1.6259771207218165
Energy: -1.6844652903280113
Energy: -1.3544493593796918
Energy: -1.5282352162673163
Energy: -2.78819483371546
Energy: -1.5382879080791667
Energy: -3.095130439435313

minimum gb energy = -3.7376567736729784 eV
minimum distance =  2.2840981749855 Angstroms
sigma value = 57


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

Energy: -2.3922277532779677
Energy: -2.1906195895882354
Energy: -2.1728564344243497
Energy: -2.854219335878733
Energy: -1.9855585690871649
Energy: -2.1504586160473402
Energy: -2.404610833612078
Energy: -2.5457326372604827
Energy: -2.416317934360911
Energy: -2.340666165248021
Energy: -2.067690509907065
Energy: -2.4266770396378825
Energy: -2.468232001713378
Energy: -2.0988672305038563
Energy: -2.1797159705624956
Energy: -2.2897153875463836
Energy: -1.86922458753164
Energy: -2.111560091505012
Energy: -3.2651995238031843
Energy: -1.755136201533631
Energy: -1.9177927599558904
Energy: -2.208377229826494
Energy: -2.0629818034652656
Energy: -2.142781877865675
Energy: -3.2575541953997837
Energy: -2.199037577692997
Energy: -2.1538271124606663
Energy: -2.3092073335210554
Energy: -1.996368864020597
Energy: -1.9946751784446024
Energy: -3.0021790738833487
Energy: -1.8796209041745708
Energy: -1.9580614901526336
Energy: -2.4909909485000696
Energy: -2.035931355122245
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Energy: -2.5951016091803476
Energy: -2.305321926556499
Energy: -2.09646716759305
Energy: -2.1861413452989
Energy: -2.5131581331467947
Energy: -2.6283240609108094
Energy: -2.3884693106676265
Energy: -2.4125446420084202
Energy: -2.715808159864044
Energy: -2.3678908914735866
Energy: -2.3925115676936772
Energy: -3.2721041189313897
Energy: -2.0757963819665557
Energy: -2.174832817258357
Energy: -2.287982992601038
Energy: -2.372705950568805
Energy: -2.2040348927762796
Energy: -3.0180868861444305
Energy: -2.6442966192036597
Energy: -2.0919146769802737
Energy: -2.0750364777813455
Energy: -2.4537013326057484
Energy: -1.7744741267171547
Energy: -2.8103123959041745
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Energy: -1.8665685584177973
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Energy: -2.5881410997483063
Energy: -2.1829061351960966
Energy: -2.36813570444721
Energy: -2.3546680064126733
Energy: -2.9301292399274503
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Energy: -2.3296721451483777
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Energy: -2.333248107359735
Energy: -2.3469867775018867
Energy: -2.452610890429848
Energy: -1.867074885542967
Energy: -1.9281292951385745
Energy: -2.1708449587436536
Energy: -2.012725850110096
Energy: -2.6934564384053084
Energy: -2.831236301150891
Energy: -2.29726437968656
Energy: -2.2225630144592365
Energy: -2.2786180428173424
Energy: -2.7516277713178696
Energy: -2.3970339064162216
Energy: -3.305791589714453
Energy: -2.0362201132376034
Energy: -2.543550309941118
Energy: -2.1019843301974395
Energy: -2.26046300374427
Energy: -2.362302535426522
Energy: -3.313071322648909
Energy: -2.1630090815736205
Energy: -1.923876586941066
Energy: -2.390263362064907
Energy: -2.114856563254991
Energy: -2.263597180268752
Energy: -3.3504733267227675
Energy: -2.376796245180435
Energy: -2.348764687503401
Energy: -2.1253563321953055
Energy: -2.219497783185886
Energy: -2.938355919363565
Energy: -3.3079146985970365
Energy: -2.315498848463241
Energy: -2.2367285493339724
Energy: -2.6812196694426453
Energy: -2.2860828558771686
Energy: -2.34803333266416
Energy: -3.3101229487629533
Energy: -2.4388279586604353
Energy: -2.386081044108434
Energy: -2.5172597730887736
Energy: -2.3132943442406417
Energy: -2.3927201170019865
Energy: -3.1314422723931963
Energy: -2.2505206215517486
Energy: -2.0740872919848385
Energy: -2.036709261419072
Energy: -2.476576870904215
Energy: -2.164482470976187
Energy: -2.6592732161796273
Energy: -1.5748071093092684
Energy: -2.112712812972493
Energy: -2.0880928942122536
Energy: -2.337199322915445
Energy: -2.3556675197833563
Energy: -2.7156877117428317
Energy: -2.092843738811931
Energy: -2.268538254150467
Energy: -2.3679334231668188
Energy: -2.376333077868761
Energy: -2.307426854396022
Energy: -2.776391539838514
Energy: -2.311637710346204
Energy: -2.2616178435883634
Energy: -2.062907632420037
Energy: -2.2908743114886896
Energy: -2.3500153096950305

minimum gb energy = -3.3504733267227675 eV
minimum distance =  2.35006435232979 Angstroms
sigma value = 17


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

Energy: -3.0289878074226757
Energy: -2.199337926206999
Energy: -2.239856929287489
Energy: -2.0700387591178475
Energy: -2.2523046861575757
Energy: -1.9030104140496862
Energy: -3.2462537206111444
Energy: -2.1181509186402256
Energy: -2.180975127846847
Energy: -1.9944530652523365
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Energy: -2.1945840312142852
Energy: -3.029881035293858
Energy: -1.994532585718091
Energy: -2.0702208999238962
Energy: -2.1159773932062684
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Energy: -2.0689201412997162
Energy: -3.498987425881754
Energy: -1.974390564565946
Energy: -2.1425951399407626
Energy: -2.4055276752815455
Energy: -1.9032278847956574
Energy: -2.3362484209964114
Energy: -3.4979117894936453
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Energy: -2.333122748265858
Energy: -2.146844213829695
Energy: -3.2709096805737845
Energy: -2.1735207834898658
Energy: -2.2524513722043413
Energy: -2.8866705592900215
Energy: -2.3318642570035597
Energy: -2.3979650290701144
Energy: -3.3543632023087127
Energy: -1.8621077520731364
Energy: -2.204241828824268
Energy: -2.233724473496697
Energy: -2.3520740509746583
Energy: -2.1017408455931643
Energy: -3.455236924956982
Energy: -2.643497312020785
Energy: -2.0503789257095026
Energy: -2.9880095027062388
Energy: -2.492857733142269
Energy: -2.3449488764696427
Energy: -3.5941428826675037
Energy: -1.9702885154254062
Energy: -2.6082513347680094
Energy: -1.9982228412794503
Energy: -2.20455309019819
Energy: -2.442501734743903
Energy: -3.522327245582866
Energy: -2.332494130631625
Energy: -2.179716189937637
Energy: -2.2721001014964926
Energy: -2.440544177500074
Energy: -2.096279567819031
Energy: -3.4273404512185213
Energy: -2.1785004732353266
Energy: -2.0495924092597333
Energy: -2.240583846541696
Energy: -2.031331655681378
Energy: -2.1083459447134536
Energy: -2.974311753262549
Energy: -2.1783707850761616
Energy: -2.3448727817614934
Energy: -2.323534911909988
Energy: -2.2928413615830534
Energy: -2.2862054733940047
Energy: -2.936315603080634
Energy: -2.384068780569636
Energy: -2.316089716609305
Energy: -1.9383573475735356
Energy: -2.2777519097125625
Energy: -2.1966337269768967
Energy: -3.2663992153121337
Energy: -2.326064085816834
Energy: -2.0856841790433767
Energy: -2.1822136283808886
Energy: -2.3526776320296325
Energy: -2.1345032415188507
Energy: -3.5377846216823743
Energy: -2.1597484960260878
Energy: -2.2530387932202176
Energy: -2.125632864989243
Energy: -2.271064634135749
Energy: -1.7025286910555901
Energy: -3.2883179617576737
Energy: -2.1794182072469344
Energy: -2.1612400355621038
Energy: -2.2750480878458874
Energy: -2.210236645789173
Energy: -2.1125466874102927
Energy: -2.6288780309585933
Energy: -2.3153977974440676
Energy: -2.291137947760426
Energy: -2.077118460531732
Energy: -2.3206599829399055
Energy: -1.9211069728147292

minimum gb energy = -3.5941428826675037 eV
minimum distance =  2.31642410361072 Angstroms
sigma value = 17


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

Energy: -4.516874454052433
Energy: -3.107834504719653
Energy: -2.6245622424999993
Energy: -2.692681173972349
Energy: -3.060884227902676
Energy: -2.786404703225563
Energy: -4.689117214788695
Energy: -3.02719972178038
Energy: -3.1467579980189466
Energy: -3.069549516226766
Energy: -3.036256423115686
Energy: -3.0770093235974723
Energy: -3.6064783136587404
Energy: -2.59193938420303
Energy: -3.2662931442802243
Energy: -3.1083092569859314
Energy: -2.675973707987451
Energy: -2.809984427637877
Energy: -4.525405829745286
Energy: -3.2152502590879606
Energy: -3.2055779763951673
Energy: -3.272712321039044
Energy: -2.9727930141375527
Energy: -3.022916225783078
Energy: -4.370654314245098
Energy: -3.1644511334770242
Energy: -2.946667376454273
Energy: -3.200271795570675
Energy: -3.091245511083283
Energy: -2.8826245656455214
Energy: -4.543596294319246
Energy: -2.8899615692345133
Energy: -2.945404328804518
Energy: -2.937724344179048
Energy: -3.043295987367618
Energy: -3.2311585780173555
Energy: -5.115903292507978
Energy: -3.2571473421355384
Energy: -3.2811829347377954
Energy: -3.3912859156840724
Energy: -2.7136795894907313
Energy: -3.005521427373277
Energy: -3.6738749300152223
Energy: -2.9722984758182545
Energy: -3.0404611554034693
Energy: -3.108858095560643
Energy: -3.3614752662622354
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Energy: -3.2060957302251403
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Energy: -2.972097968012815
Energy: -2.740635063477732
Energy: -2.827759704608943
Energy: -3.1972797568220126

minimum gb energy = -5.115903292507978 eV
minimum distance =  2.30345433932838 Angstroms
sigma value = 57


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

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Energy: -4.5617350593951675
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Energy: -3.942348609693584
Energy: -4.5154280320079865
Energy: -4.575361192620206
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Energy: -4.470296471368941
Energy: -4.669548193537002
Energy: -4.315823660745896
Energy: -4.078797559324644
Energy: -4.1659596660953335
Energy: -4.304745377007721
Energy: -3.9276310648609463
Energy: -4.571047639608482
Energy: -3.2580700107668923
Energy: -3.7391326262744484
Energy: -4.2530095107132695
Energy: -3.7606430092382213
Energy: -4.2589188925786825
Energy: -4.274189512503723
Energy: -4.270580721372924
Energy: -4.538728368796743
Energy: -4.0605102623497835
Energy: -4.170546004330265
Energy: -3.961072046674537
Energy: -5.227225393301274
Energy: -4.29796304934799
Energy: -3.717268628218162
Energy: -4.110207501489274
Energy: -4.402733605796283
Energy: -3.7399014682644376

minimum gb energy = -6.13484193316989 eV
minimum distance =  2.31161312716604 Angstroms
sigma value = 43


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

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Energy: -2.252133157082563
Energy: -3.622861447696808
Energy: -2.2005311081433394
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Energy: -3.429743201781032
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Energy: -3.243920844223213
Energy: -3.5099244322825722
Energy: -3.321265209700111
Energy: -2.308243186314258
Energy: -3.189374499539934
Energy: -2.797282888927196
Energy: -2.513878693263901
Energy: -3.1230738845511707
Energy: -2.8309091059173865
Energy: -2.3827944134118852
Energy: -2.5048317970609104
Energy: -2.9083343309655496
Energy: -2.658132278392226
Energy: -2.1486822301580846
Energy: -2.8266599124485094
Energy: -2.980036966023212
Energy: -3.121416315999207
Energy: -3.0576373163100876
Energy: -3.0315019903714515
Energy: -3.079226459063221
Energy: -2.7328741268064793
Energy: -3.323817472571791
Energy: -3.3216168076220196
Energy: -2.2180238842383733
Energy: -2.662736683873254
Energy: -3.096182085840984
Energy: -2.965890042498284
Energy: -2.7608739765096533
Energy: -2.575080289646223
Energy: -2.6002244073324805
Energy: -2.575943012637819
Energy: -2.6190094570624343

minimum gb energy = -4.491767107726773 eV
minimum distance =  2.28545850439141 Angstroms
sigma value = 81


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

Energy: 0.004112388545179698
Energy: -1.3136809752190348
Energy: -0.07306148511100506
Energy: 0.00571824158871816
Energy: -0.06257263841408826
Energy: -0.07278558267012881
Energy: -0.1014842509893032
Energy: 0.007513014752572266
Energy: 0.0050464309299499055
Energy: -0.10641189304918855
Energy: 0.006115515964784114
Energy: -0.07208566417239849
Energy: -0.03227582639478615
Energy: -0.06755939554686442
Energy: -0.07556672287517559
Energy: -0.10271683675326393
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Energy: -0.07570702097731472
Energy: 0.005668811064865714
Energy: -0.06820103608611242
Energy: -0.06773685770999399
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Energy: -0.0752920239367695
Energy: -0.10654288262675048
Energy: -0.10569167278428747
Energy: -0.09936831578222032
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Energy: -0.025803249227136713
Energy: -0.15157596272847995
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Energy: -0.10610894104463309
Energy: -0.07210455550301907
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Energy: 0.0050790846756176835
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Energy: -0.0737381157926654
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Energy: -0.028767304852144245
Energy: -0.07555665349387579
Energy: -0.1064783028149322
Energy: -0.028480783100520865
Energy: -0.07594963649162133
Energy: 0.006233475959798844
Energy: -0.06819022272525467
Energy: -0.0680845849313774
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Energy: -0.10306329229273456
Energy: -0.1064821859277527
Energy: -0.06787031623145645
Energy: -0.10618254860980487
Energy: -0.06383615777547204

minimum gb energy = -1.3136809752190348 eV
minimum distance =  2.43410310460135 Angstroms
sigma value = 3


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

Energy: -1.372202226673929
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Energy: -1.817190195900821
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Energy: -4.723841641410099
Energy: -2.4080278702303253
Energy: -3.1906896387370116
Energy: -2.9125912938430263

minimum gb energy = -4.983627620791254 eV
minimum distance =  2.28330403665188 Angstroms
sigma value = 67


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

Energy: -2.073730354744894
Energy: -4.294028844599524
Energy: -6.962927980098059
Energy: -2.9954440961075295
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Energy: -3.909950783308616
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Energy: -5.267166054007603
Energy: -5.451469670986634
Energy: -5.409649774743651
Energy: -5.721863903491419

minimum gb energy = -7.333965060369424 eV
minimum distance =  2.28401630583809 Angstroms
sigma value = 33


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

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Energy: -4.130450289606655
Energy: -2.9619864321475777
Energy: -3.1553993742671294
Energy: -3.211477002302011
Energy: -3.0087452041794402
Energy: -3.1023282585038845
Energy: -3.879506382574176
Energy: -2.651666365244005
Energy: -3.120618042902767
Energy: -3.1482151200172312
Energy: -2.3451705278555113
Energy: -2.9064523529517703
Energy: -3.9441493938799495
Energy: -2.931449925055213
Energy: -2.461097787282946
Energy: -2.782700970021726
Energy: -3.215400482034498
Energy: -3.25601209677093
Energy: -2.2862982761908817
Energy: -3.2926280762671976
Energy: -3.323796994171236
Energy: -2.523226840887561
Energy: -4.483393179382451
Energy: -3.0166433142697393
Energy: -2.2645290826394757
Energy: -2.89289508327763
Energy: -3.266381778932243
Energy: -3.348915500934682
Energy: -3.17483695597256
Energy: -3.0090854048576756
Energy: -4.514023339143915
Energy: -2.2605101832497634
Energy: -2.719678870008496
Energy: -3.684530605904595
Energy: -2.3107879739357684
Energy: -4.162922066548999

minimum gb energy = -5.8885777722574915 eV
minimum distance =  2.27623942605494 Angstroms
sigma value = 41


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

Energy: -0.1866999404892896
Energy: -2.271552844726734
Energy: -1.4748599575106605
Energy: -2.488443089783766
Energy: -1.8799597498346345
Energy: -1.4566790089553676
Energy: -2.335010993780586
Energy: -2.4090865919178945
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Energy: -2.4435920623492104
Energy: -2.1658266342988366
Energy: -2.836185040276243
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Energy: -2.4995883495275595
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Energy: -2.2647781024982283
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Energy: -2.9482267075744337
Energy: -2.8155396971950655
Energy: -2.364370741563887
Energy: -2.562787470838633
Energy: -2.663030170390995
Energy: -2.623737272184823
Energy: -2.546148183578839
Energy: -2.5784708808734584
Energy: -2.197744472138665
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Energy: -2.6874501192705345
Energy: -2.0750443252743374
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Energy: -2.516264908132318
Energy: -1.7429082255251038
Energy: -2.200712684799867
Energy: -2.529227360406872
Energy: -2.093750578109028
Energy: -2.118423878239403
Energy: -2.728780379427749
Energy: -2.853765181364938
Energy: -2.3223347708277973
Energy: -1.7318763248953086
Energy: -2.5394463418356445
Energy: -2.2608759312214994
Energy: -2.120216977983049
Energy: -2.5529100768530197
Energy: -2.623001794301495
Energy: -2.295794602470718
Energy: -2.7552296371419436
Energy: -2.800461981687163
Energy: -2.701690316343341
Energy: -2.745297928154091
Energy: -2.7708227800250165
Energy: -2.8853583829060128
Energy: -2.8533035597736274
Energy: -2.7674427205738206
Energy: -2.7865488471677984
Energy: -1.9620084946687826
Energy: -2.4797085084071813
Energy: -2.8239654943533403
Energy: -1.5514693927889212
Energy: -2.6557470573997324
Energy: -0.34280917392156
Energy: -2.250009233302273
Energy: -2.584457982801545
Energy: -2.8693849319799782
Energy: -2.5645374264098266
Energy: -2.6914278708507857
Energy: -2.004137207728332
Energy: -2.12540813135542
Energy: -1.8023980641672055
Energy: -1.8675988619598884
Energy: -2.4407290364090346
Energy: -1.877444559784617
Energy: -2.1765865852089705
Energy: -2.8786502849509854
Energy: -3.0180646702767517
Energy: -2.2350618714016464
Energy: -2.404322449592979
Energy: -2.8164537178065805
Energy: -3.66505844106097
Energy: -2.1475951709033345
Energy: -2.080032188385483
Energy: -2.608149894488618
Energy: -2.130887703176073
Energy: -1.69344244228875

minimum gb energy = -3.66505844106097 eV
minimum distance =  2.32953880976965 Angstroms
sigma value = 11


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

Energy: -2.41240047804089
Energy: -2.5780078774044846
Energy: -0.9888007914742317
Energy: -1.07280222893335
Energy: -2.1322926212030007
Energy: -1.2015792024075926
Energy: -1.2399272558599457
Energy: -2.3026562464273916
Energy: -3.1461631536629313
Energy: -1.481097709760298
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Energy: -2.450293732387388
Energy: -1.7252814328020114
Energy: -1.6017130278044522
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Energy: -1.995698394853602
Energy: -1.3705310559135424
Energy: -2.065165795822206
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Energy: -1.9903408902184738
Energy: -1.6452799367528947
Energy: -2.5706092400911693
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Energy: -2.9125076954450577
Energy: -1.8620204655199153
Energy: -3.8810613956090827
Energy: -1.9004013795512427
Energy: -1.8946945679978517
Energy: -2.7362099468968584
Energy: -2.3549563551388744
Energy: -2.221877314234984
Energy: -2.215356505274791
Energy: -2.278761037833987
Energy: -2.288308684581946
Energy: -2.8723811509989745
Energy: -2.310701240947023
Energy: -2.060011691168907
Energy: -2.4998405051630517
Energy: -2.9335861998661534
Energy: -3.241586055845675
Energy: -2.833557072873457
Energy: -2.12388489473433
Energy: -2.015837485526197
Energy: -2.163539948497387
Energy: -3.1231502367103365
Energy: -2.8841760313784737
Energy: -1.4714303944478284
Energy: -1.8211612054387594
Energy: -2.9742165027747864
Energy: -2.191146491102929
Energy: -1.767466892781211
Energy: -2.0078774941461153
Energy: -1.4154404208044797
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Energy: -2.315997578353647
Energy: -2.2586329567821806
Energy: -2.0452677986198458
Energy: -2.132475243103632
Energy: -2.5321129295329876
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Energy: -2.464682729017047
Energy: -1.7436604462982601
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Energy: -1.5522166801303556
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Energy: -1.9331034141671606
Energy: -1.8271858498757474
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Energy: -1.51636905672559
Energy: -1.7850594764047727
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Energy: -2.411627391105683
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Energy: -2.585793497894526
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Energy: -2.715920696542297
Energy: -1.9375891791690871
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Energy: -1.7309950801077212
Energy: -2.416754404431698
Energy: -1.8552535353504958
Energy: -2.4510924722530723
Energy: -2.064192526099312
Energy: -1.8373765174457353
Energy: -2.477954176165683
Energy: -1.6980182855931234
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Energy: -1.7561452070980903
Energy: -2.105241605143172
Energy: -1.999976181663062
Energy: -2.457566215645456
Energy: -2.3140030278225185
Energy: -3.129781850159439
Energy: -1.5482441754847815
Energy: -2.566005042446493
Energy: -2.539225125576699
Energy: -2.111273294630437
Energy: -3.0407178621397377
Energy: -2.3594034719663175
Energy: -2.181379215202081
Energy: -2.0548556652138705
Energy: -2.5623002561028163
Energy: -1.4761281189644593
Energy: -1.8264310361355451
Energy: -2.3154952567727207
Energy: -2.523015232722983
Energy: -1.2551304668191758
Energy: -1.7045790742336089
Energy: -2.9901520567073674
Energy: -2.720176278656241
Energy: -1.8732630812414615
Energy: -2.8387544473558437
Energy: -2.2605043290711953
Energy: -2.442108302619495
Energy: -1.6039062130075614
Energy: -1.756957975406375
Energy: -2.275284463093537
Energy: -2.557834762635575
Energy: -2.015332302876181

minimum gb energy = -3.8810613956090827 eV
minimum distance =  2.29047328256595 Angstroms
sigma value = 57


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

Energy: -0.16373151510365833
Energy: -1.5799215535755842
Energy: -1.6750737154398785
Energy: -0.9306115564125463
Energy: -4.208848357818526
Energy: -2.036880928941291
Energy: -2.0221194054466176
Energy: -1.5339187554485576
Energy: -1.9303615293134722
Energy: -1.6950149748828345
Energy: -1.4141092979483294
Energy: -4.292812758527824
Energy: -1.9822132681544509
Energy: -1.2725786474475105
Energy: -3.3325014532047263
Energy: -1.3527228847937791
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Energy: -1.741524188287601
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Energy: -1.998259460664112
Energy: -1.7990611320434113
Energy: -1.7185448157811731
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Energy: -1.8536135572492574
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Energy: -2.0108442173622896
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Energy: -1.6734209725442095
Energy: -1.741885203708023
Energy: -1.7224496330911903
Energy: -3.9443163021377914
Energy: -2.449932448501454
Energy: -1.4086137194645068
Energy: -1.457838059187807
Energy: -1.3556559675034738
Energy: -1.4073389866034198
Energy: -1.50715774183444
Energy: 0.7280931778737845
Energy: -1.733720077510135
Energy: -1.7114055805856547
Energy: -1.4353942465407683
Energy: -1.7384891863501923
Energy: -1.6841511905721989
Energy: -2.0228393066394235
Energy: -1.3253128332070203
Energy: -1.1944917375615427
Energy: -1.4533155878440835
Energy: -1.1669587104631436
Energy: -1.433204078431787
Energy: -1.9498173806537533
Energy: -2.2423065319627637
Energy: -1.5429091964494008
Energy: -1.496799855150482
Energy: -3.6211619788085225
Energy: -1.430501345584053
Energy: -2.0062126250382333
Energy: -2.038203533101787
Energy: -1.7977875308987938
Energy: -1.8656688826671162
Energy: -1.7200525914520461
Energy: -1.9670813907918114
Energy: -1.615616825741231
Energy: -1.1647565827604602
Energy: -0.9303825644096652
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Energy: -1.1930948655543188
Energy: -1.7606729598646906
Energy: -2.1361819137959426
Energy: -1.5654777369547073
Energy: -1.835079306461321
Energy: -1.7352996232100364
Energy: -1.658112983670605
Energy: -1.705312032862147
Energy: -2.011898124339172
Energy: -2.3101787838633467
Energy: -1.7443059833712413
Energy: -4.034141053294933
Energy: -2.23669114501376
Energy: -1.8611697522758173
Energy: -2.0651585247895414
Energy: -1.502235199873813
Energy: -1.7127537406939564
Energy: -1.7407096222845986
Energy: -1.5091682602351137
Energy: -2.02454502657273
Energy: 0.7630763402040799
Energy: -1.525864405978605
Energy: -1.1178711338494223
Energy: -1.335998303862863
Energy: -1.5525060140748086
Energy: -2.5095262418596618
Energy: -1.8302659862402992
Energy: -1.5472111176763683
Energy: -1.6369900278234077
Energy: -1.4248845601235158
Energy: -1.3702094550201558
Energy: -1.3995198537272902

minimum gb energy = -4.292812758527824 eV
minimum distance =  2.27875086855893 Angstroms
sigma value = 9


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

Energy: -2.1281851093226414
Energy: -2.122335267226079
Energy: -2.8692646189204725
Energy: -1.7088916984113447
Energy: -1.9659824052807153
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Energy: -2.678549059481487
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Energy: -2.623438016490882
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Energy: -3.7549050409939215
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Energy: -4.5110298114190455
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Energy: -2.612546425605128
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Energy: -3.3802493154951816
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Energy: -3.16641489254609
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Energy: -2.3340580253174994
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Energy: -2.498543699465197
Energy: -2.71427884933328
Energy: -2.3896065252684124
Energy: -2.1253460742770995
Energy: -2.7205793633320883
Energy: -4.746780567873486
Energy: -3.3045904576357708
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Energy: -2.7683377740486335
Energy: -3.109251723097169
Energy: -2.435311770065271
Energy: -2.4900817834278604
Energy: -2.5992185216672627
Energy: -2.481629254795113
Energy: -2.8022372730665666
Energy: -2.2533988472643607
Energy: -3.7674972769827613
Energy: -3.1616848718820987
Energy: -2.1772857570655297
Energy: -3.8851752132369923
Energy: -2.6933684017891903
Energy: -2.366226405041619
Energy: -2.8201936724221057
Energy: -2.2208309492170257
Energy: -2.742490905616169
Energy: -2.282747318885225
Energy: -2.2148192280059114
Energy: -2.678939018504617
Energy: -2.442592766707206
Energy: -2.721226152090383
Energy: -2.826928898217354
Energy: -2.5576599520427132

minimum gb energy = -5.0401068619324825 eV
minimum distance =  2.31314024947886 Angstroms
sigma value = 27


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

Energy: -2.3953920344147432
Energy: -2.9267086366971795
Energy: -2.818162073469626
Energy: -1.6715005839236627
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Energy: -4.686788371055333
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Energy: -3.757211500343819
Energy: -3.046836626628841
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Energy: -3.268322933240767
Energy: -2.7220696665369863
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Energy: -2.745302190817514
Energy: -3.193695343407153
Energy: -4.07945834227893

minimum gb energy = -4.686788371055333 eV
minimum distance =  2.23312927412582 Angstroms
sigma value = 19


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

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Energy: -1.6774750801063223
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Energy: -1.7455734531146774
Energy: -1.2031195988255272
Energy: -1.6118054029070779
Energy: -1.1085716215778132

minimum gb energy = -3.3362029772854807 eV
minimum distance =  2.27905098385714 Angstroms
sigma value = 101


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

Energy: -1.7635138695634487
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Energy: -1.7953246381081718
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Energy: -1.6926734462079602
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Energy: -1.7517336401002186
Energy: -2.0069017112109044
Energy: -1.6649260377397317
Energy: -1.578987538047417
Energy: -1.5747112150219766
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Energy: -1.5527506050454492
Energy: -1.4450622422242676
Energy: -1.5426830345429117
Energy: -2.940798075856928
Energy: -1.7870687757309363

minimum gb energy = -3.3136556138642606 eV
minimum distance =  2.30263501935699 Angstroms
sigma value = 33


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

Energy: 0.016584065356503277
Energy: -3.6516024970882035
Energy: -1.5926169440964753
Energy: 0.017971402934865148
Energy: -4.150080690431603
Energy: -3.863609254332499
Energy: 0.27515564643435564
Energy: -4.232805659965296
Energy: -2.865450866876976
Energy: -1.3587552653732389
Energy: -2.863405523401817
Energy: -1.7650317343268755
Energy: 1.259938666824173
Energy: -3.351264036855384
Energy: -3.143052181666052
Energy: -1.1726357622278696
Energy: -3.271964996529055
Energy: -3.344214435311616
Energy: 0.2751556476604814
Energy: -4.164548969323098
Energy: -4.123482768099732
Energy: -1.3587552650295676
Energy: -4.046797605505369
Energy: -1.7651480380163858

minimum gb energy = -4.232805659965296 eV
minimum distance =  2.40935497018197 Angstroms
sigma value = 1