Model name: model_name=Sim_LAMMPS_EAM_BonnyPasianotTerentyev_2011_FeCr__SM_237089298463_001
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=3.6583647802472123
cohesive_energy=4.002359371913126
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=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19, -1.0558055626265878e-18, -1.8546796715184e-18, -3.34249293738348e-18, -6.1790825808151195e-18, -1.1941695367388279e-17, -2.5027120546723798e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015073191802204585
Energy: -4.056576561016786
Energy: 0.01607762927410612
Energy: 0.01610828853180666
Energy: 0.5555137252073213
Energy: 0.02011507023252927
Energy: -4.007731393754429
Energy: 0.028693410324733583
Energy: 0.031071463642104134
Energy: -5.113874074259195
Energy: 0.029562562864573594
Energy: 0.028288799062135193
Energy: 0.016077629274412336
Energy: 0.03109405023976208
Energy: 0.02818072743846087
Energy: 0.015925197881872476
Energy: 0.02822813066668117
Energy: 0.029385009424125124
Energy: 0.016108288532112876
Energy: -5.0505830013350606
Energy: 0.01592519788160028
Energy: 0.016649365994366214
Energy: -5.175748708420356
Energy: 0.016002161093029727
Energy: 0.5555137124735731
Energy: 0.02956241551421324
Energy: 0.028228655835260873
Energy: -5.049951187298009
Energy: 0.031145995650196823
Energy: 0.027884085942344202
Energy: 0.02011507023252927
Energy: 0.028282104726188417
Energy: 0.02938440925274229
Energy: 0.016002161094526787
Energy: 0.027947108864478987
Energy: 0.015754088854833995

minimum gb energy = -5.175748708420356 eV
minimum distance =  2.57329065051439 Angstroms
sigma value = 1


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

Energy: 0.6859020595240662
Energy: -4.967662579127429
Energy: -2.7992596017178535
Energy: -2.4416017447853444
Energy: -3.966558299716522
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Energy: -2.7096328835389922
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Energy: -2.7900729365762253
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Energy: -2.8740270612467795
Energy: -2.986193162472222
Energy: -2.684044405507768
Energy: -3.1633955279963457
Energy: -4.296117394656097
Energy: -2.88917455652205
Energy: -2.9176995488854924
Energy: -2.5906419364361546
Energy: -2.700303044411289
Energy: -4.68531498326308
Energy: -2.6413025258166773
Energy: -2.9350366588568697
Energy: -2.472778870801617
Energy: -2.747891839120343
Energy: -2.5294274423576346
Energy: -2.474314697207235
Energy: -4.525989869444436
Energy: -3.312381794601923
Energy: -2.3657978697177144
Energy: -2.639961995661682
Energy: -2.836645926750293
Energy: -2.8661917277262914
Energy: -3.573501266794955
Energy: -2.8169799476885777
Energy: -2.6602363837561094
Energy: -2.5271971745975734
Energy: -3.334809372898453
Energy: -3.2696991419813943
Energy: -2.5849355323265684
Energy: -3.692251039613898

minimum gb energy = -5.748287937454326 eV
minimum distance =  2.30113170394714 Angstroms
sigma value = 33


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

Energy: 0.9219034306590719
Energy: -2.3017889219502057
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Energy: -3.0041343395904367
Energy: -2.122262490942532
Energy: -2.2849785574338335
Energy: -2.3127213987771844

minimum gb energy = -5.419886992028787 eV
minimum distance =  2.28997321783081 Angstroms
sigma value = 51


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

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Energy: -2.4981785154266425
Energy: -1.7360905099770312
Energy: -1.680842047063864
Energy: 0.6368807395503803
Energy: -1.5659000784826247
Energy: -1.7115167130008413
Energy: -1.8826019064500579
Energy: -1.61300392581475
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Energy: -1.7625532254642973
Energy: -1.6892281924754406
Energy: -1.839327034886614
Energy: -1.695186821136675
Energy: -1.5517173657911358

minimum gb energy = -2.4981785154266425 eV
minimum distance =  2.28746907182849 Angstroms
sigma value = 19


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

Energy: 0.6385718818349237
Energy: -1.3480385787296651
Energy: -1.3851597178569655
Energy: -0.9195953186928971
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Energy: -1.6629253737871745
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Energy: -1.5475940639452515
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Energy: -1.5920770576654106
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Energy: -0.7324975228273758
Energy: -0.13619573223160006
Energy: -1.3654000477481683
Energy: -1.493093050589857
Energy: -0.057425529708362996

minimum gb energy = -2.071560371416413 eV
minimum distance =  2.30934710751342 Angstroms
sigma value = 27


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

Energy: 0.643261922120414
Energy: -1.171298706256609
Energy: -1.7360960881028495
Energy: -1.2422864504402586
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Energy: -1.537004669385877
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Energy: -1.6462453845946259
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Energy: -1.9631142677935804
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Energy: -2.054312151240735
Energy: -2.0524070785474713
Energy: -1.7320778528484397
Energy: -2.2053609206195715
Energy: -1.6946659691406498
Energy: -0.8417020180347112
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Energy: -1.9020377253576897
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Energy: -1.791314941284597
Energy: -1.9207555791485957
Energy: -1.2306103400852753
Energy: -2.159931357210418
Energy: -1.6227291296234667

minimum gb energy = -2.2559463439316145 eV
minimum distance =  2.33575292057393 Angstroms
sigma value = 9


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

Energy: -2.628941610155472
Energy: -2.2450391086864565
Energy: -2.7110583612027677
Energy: -2.5646147328743343
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Energy: -2.9851175128095675
Energy: -2.9317678270236365
Energy: -3.034421898625543
Energy: -2.827975202188085

minimum gb energy = -6.324091880221741 eV
minimum distance =  2.32836971410517 Angstroms
sigma value = 57


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

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Energy: -0.28021324692761407
Energy: -0.46764504236911175
Energy: -1.9803236323748938
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Energy: -0.30374615195268373
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Energy: -0.3971867348798226
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Energy: -0.9401251666203465
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Energy: -0.572204885655572
Energy: -0.5515930663762161
Energy: -2.371283490851425
Energy: -1.997418412722729
Energy: -0.7168817020973849
Energy: -1.9870165016957966
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Energy: -0.7549388663599383
Energy: -0.5538821412674982
Energy: -0.5551416522756288
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Energy: -2.405996722081144
Energy: -0.5580748676281575
Energy: -0.7909598809642754
Energy: -0.3370061525756332
Energy: -0.4986131455687095
Energy: -0.3994757851365864
Energy: -0.3399112029141365
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Energy: -0.696139782988316
Energy: -0.397224689275379
Energy: -0.38807268494235053
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Energy: -0.4402457094253606
Energy: -2.3644069348559693
Energy: -0.45401719351067277
Energy: -0.4619825289870928

minimum gb energy = -2.7217972573605502 eV
minimum distance =  2.36839039286885 Angstroms
sigma value = 11


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

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Energy: -3.80322853912955
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Energy: -4.004462138553512
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Energy: -3.339958812266633
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Energy: -2.9658283562018055
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Energy: -3.641554094417747
Energy: -3.6005682424582126
Energy: -3.92922343277789
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Energy: -3.2373254567885477
Energy: -3.763168058139111
Energy: -3.010935556105228
Energy: -4.233529724300146
Energy: -4.014238040031963
Energy: -3.803200465294367
Energy: -4.427245438309661
Energy: -3.6664960375225957
Energy: -3.5499843230627857
Energy: -4.069890912922836
Energy: -3.976807303178461
Energy: -3.880712083207361
Energy: -3.9839091889711447
Energy: -4.123370255775097
Energy: -3.0376049712745345
Energy: -3.3488188205589116
Energy: -4.01057584945566
Energy: -3.8890812850347536
Energy: -3.8513011290211945
Energy: -3.7078959689400115

minimum gb energy = -5.018756685081202 eV
minimum distance =  2.30867445902415 Angstroms
sigma value = 41


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

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Energy: -1.8413431184027405
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Energy: -1.5672068205849605
Energy: -2.2161376481215047
Energy: -1.8471456427327313
Energy: -1.7282925972495669

minimum gb energy = -3.319354376571145 eV
minimum distance =  2.30378330550419 Angstroms
sigma value = 33


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

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minimum gb energy = -4.165579614813047 eV
minimum distance =  2.32254269586127 Angstroms
sigma value = 67


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

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Energy: -1.6382417192980734

minimum gb energy = -2.2649954715553338 eV
minimum distance =  2.37352479575679 Angstroms
sigma value = 3


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

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minimum gb energy = -7.456775848715043 eV
minimum distance =  2.29607951113842 Angstroms
sigma value = 81


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

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Energy: -2.625926824430468
Energy: -2.731092902866671
Energy: -3.71747048747304
Energy: -3.9446011029063732
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Energy: -4.838412554132401
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Energy: -2.5887057113243075
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Energy: -2.052144538883059
Energy: -2.9542272937881178
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Energy: -2.5050969559474225
Energy: -3.673977943934299
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Energy: -3.414174105053366
Energy: -3.7138883693859976
Energy: -2.5442014715623578
Energy: -1.8418599198283627
Energy: -1.761604909492821
Energy: -3.5749272803315297
Energy: -2.0828188165985853
Energy: -1.768264698301381
Energy: -2.6812211638616956
Energy: -2.734462496968956
Energy: -2.496838072856976
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Energy: -3.3963192855100455
Energy: -2.993811728076264
Energy: -2.3937139878513354
Energy: -2.1318450832758744
Energy: -3.6132794765237395
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Energy: -2.1304793422666486
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Energy: -2.6384894377924106
Energy: -2.346232383220218
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Energy: -2.8411654913804685
Energy: -1.9657254258242265
Energy: -2.649594937365722
Energy: -2.803443016120533
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Energy: -2.1452521645729226
Energy: -4.939513351871805
Energy: -3.9187233834240986
Energy: -2.6627855430172405
Energy: -4.0440110182524265
Energy: -4.010446437018504
Energy: -3.120762163210949
Energy: -4.066830115003731
Energy: -3.9670543605634747
Energy: -2.6254923593001234
Energy: -3.073159390796038
Energy: -2.4946072427504618
Energy: -3.018296530942088
Energy: -3.853831683254838
Energy: -3.623767990685133
Energy: -2.7350693889969846
Energy: -1.8036963583275278
Energy: -4.704860931076298
Energy: -4.329798397498268
Energy: -3.199996164717672
Energy: -2.808438131098566
Energy: -2.590970339376979
Energy: -2.6021567439055597
Energy: -2.4032680868938616
Energy: -2.5704020323647008
Energy: -2.8234406207033587
Energy: -2.6124688002386227
Energy: -2.3403165474693983
Energy: -3.7821646331312126
Energy: -1.7709048430403738
Energy: -2.1594709422079417
Energy: -4.668180647816783
Energy: -1.6976868189601368

minimum gb energy = -4.988034433842023 eV
minimum distance =  2.39870070762798 Angstroms
sigma value = 43


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

Energy: -1.460086792363736
Energy: -1.3534610910516844
Energy: -1.3977496962975908
Energy: -3.3984852973043047
Energy: -1.2585696103273192
Energy: -3.2115526134299026
Energy: -2.097855698005357
Energy: -1.820847760013992
Energy: -1.773283591806079
Energy: -1.6840778579881428
Energy: -2.183585964870389
Energy: -2.7542608295008386
Energy: -1.8019728736161822
Energy: -3.0278751830204786
Energy: -3.2858496123666567
Energy: -2.0028835032704198
Energy: -2.289295349601839
Energy: -2.027959461893707
Energy: -2.2017924408635237
Energy: -2.874496205764916
Energy: -3.3777714612106347
Energy: -2.769130066757565
Energy: -2.0316553332556095
Energy: -2.2295221427519207
Energy: -2.2201320220685266
Energy: -1.727682723167775
Energy: -1.6794004220446648
Energy: -2.4029351684842144
Energy: -1.8684300138601264
Energy: -1.6728259765138314
Energy: -2.2445060623267548
Energy: -3.39131104354618
Energy: -1.6681550945706225
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Energy: -1.6748799280956408
Energy: -2.1382854448492163
Energy: -2.849281978039482
Energy: -1.999517015177181
Energy: -1.932453352881921
Energy: -2.499925989507007
Energy: -1.851446459101474
Energy: -2.0365582472275903
Energy: -2.0777005842191616
Energy: -2.0156598613729435
Energy: -3.21214750863236
Energy: -1.966734413505209
Energy: -1.971284045312856
Energy: -2.0188934904595954
Energy: -1.863728872431594
Energy: -1.7450050483635777
Energy: -2.3087940863868988
Energy: -1.7693856920094941
Energy: -1.923228947191695
Energy: -1.7854140028058678
Energy: -2.152872247970946
Energy: -3.421200584163671
Energy: -1.9537806777178763
Energy: -2.473751125145916
Energy: -3.53006089745518
Energy: -1.958604074247905
Energy: -2.24884632396499
Energy: -2.0528375866424597
Energy: -2.162744122544369
Energy: -2.5029509986571052
Energy: -1.9405404162399964
Energy: -1.8658263821926084
Energy: -1.973942018364878
Energy: -1.7689594188438824
Energy: -2.4474550041517245
Energy: -2.226804533861126
Energy: -1.6777619376402668
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Energy: -1.728367666157344
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Energy: -3.5803067209174477
Energy: -1.909210175270665
Energy: -1.7586599385987218
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Energy: -2.2578699518144294
Energy: -1.681040917539141
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Energy: -1.768630677861895
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Energy: -3.6099546573438372
Energy: -2.0950331226060075
Energy: -3.2812741184522443
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Energy: -3.358411935823215
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Energy: -3.09309219469877
Energy: -3.3344910991157866
Energy: -2.1493690362564255
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Energy: -1.9438774135580663
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Energy: -1.7945395351449898
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Energy: -1.7556083035837395
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Energy: -2.786282737587698
Energy: -2.8998745795606746
Energy: -2.1643815987901864
Energy: -1.7183849740807564
Energy: -1.5727019217332194
Energy: -1.8904123511499624
Energy: -2.324139192181704
Energy: -1.7229626496459132
Energy: -1.7667911034417543
Energy: -1.5922453400876546
Energy: -2.7910637278516264
Energy: -1.395011362259073
Energy: -2.7865659006309924
Energy: -2.4969489033852463
Energy: -2.267684704432965
Energy: -2.32176253414376
Energy: -2.4575872777727334
Energy: -2.0285309066749604
Energy: -1.7037886507040707
Energy: -2.3225303249185942
Energy: -2.0093486050004667
Energy: -3.6352610143489006
Energy: -3.724009486185741
Energy: -1.7658799744078093
Energy: -3.1977569210684527
Energy: -3.362101568176808
Energy: -1.8931863522929773
Energy: -1.8283763340279713
Energy: -1.7716783563256782
Energy: -1.958756835956106
Energy: -1.931888133184391
Energy: -1.883504170943459
Energy: -2.2565593055132576
Energy: -1.9040438831709405
Energy: -2.297205153182848
Energy: -2.368375835171786
Energy: -3.0340887814906896
Energy: -1.6819306855764946
Energy: -2.22360934093128
Energy: -1.8048340538345993
Energy: -1.8995581607501397
Energy: -1.7412621077520667
Energy: -1.9052956887148254
Energy: -1.693305840600745
Energy: -2.181835860529856
Energy: -2.621145518738654
Energy: -1.7842395848924717
Energy: -2.9753060293271423
Energy: -2.856007932403001
Energy: -1.7613957969544405
Energy: -1.847604027565662
Energy: -2.9821786962003234
Energy: -2.975552047089065
Energy: -1.5397261337505332
Energy: -3.5099189551936583
Energy: -1.7776454864264295
Energy: -1.9951754948753948
Energy: -1.3980480576520036
Energy: -1.468624883209424
Energy: -1.6533383879384904
Energy: -1.7222851769207033
Energy: -1.7847349773098726
Energy: -1.7464001348280176
Energy: -1.4185369284134948
Energy: -1.5699957753002616
Energy: -2.06660277583637
Energy: -1.5807961585391772
Energy: -1.4432674249478938

minimum gb energy = -3.724009486185741 eV
minimum distance =  2.33035402158884 Angstroms
sigma value = 57


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

Energy: -2.225829062939556
Energy: -1.9551225096410993
Energy: -2.168917445654417
Energy: -1.6368960191321473
Energy: -2.092851963438413
Energy: -2.1656480912432827
Energy: -2.2443191065393315
Energy: -2.5943286551414304
Energy: -2.5635123764351433
Energy: -2.3094025941190877
Energy: -2.4403128176579902
Energy: -2.2247235514601047
Energy: -2.2867374167912047
Energy: -2.2204970876859487
Energy: -2.182283870751959
Energy: -2.330020508669232
Energy: -2.0270014007463972
Energy: -2.1080030178373024
Energy: -3.1788625237061363
Energy: -1.8327237601096487
Energy: -1.7241530003941832
Energy: -2.2021219526465763
Energy: -2.0247341483167394
Energy: -2.1056088704962437
Energy: -3.1590237576215414
Energy: -1.9702930014366995
Energy: -1.8224888902726142
Energy: -2.483063842162029
Energy: -2.1002549346961854
Energy: -2.1707244669206878
Energy: -2.9419743916101746
Energy: -1.6933191045235945
Energy: -1.8974712101578182
Energy: -2.278072355472726
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Energy: -1.9753963088705022
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Energy: -2.262147945530582
Energy: -2.6892078646812703
Energy: -2.0682619039234678
Energy: -2.063521851110378
Energy: -2.282988449580084
Energy: -2.582039475547758
Energy: -2.3740169973688117
Energy: -2.3971412871325772
Energy: -2.2312427103074257
Energy: -2.38321347937522
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Energy: -3.2889568411908194
Energy: -2.427238067795615
Energy: -2.471085374108392
Energy: -1.7817083404775684
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Energy: -2.7816861939295725
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Energy: -2.2695689716050413
Energy: -2.2014894671739715
Energy: -2.14562326144722
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Energy: -3.2378664442073024
Energy: -1.837919601831902
Energy: -1.9966385357986687
Energy: -2.168796592269981
Energy: -1.9852724479351598
Energy: -2.320239234867613
Energy: -2.9009325201634137
Energy: -2.377960874163939
Energy: -2.590537862658632
Energy: -1.8992644091853792
Energy: -2.38155701655984
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Energy: -2.7325282153634243
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Energy: -2.1709883377956225
Energy: -2.881898323714694
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Energy: -2.3560567853512375
Energy: -2.166372969559956
Energy: -2.22658094529979
Energy: -2.3884937722816417
Energy: -2.851608533674655
Energy: -2.1801065237178014
Energy: -2.1856364435243614
Energy: -2.313207572088865
Energy: -2.8484412013865223
Energy: -2.0417880169131695
Energy: -3.231024150569252
Energy: -2.0811149422424493
Energy: -2.1841123979966697
Energy: -2.229571556512196
Energy: -2.122489734156241
Energy: -2.301457686243842
Energy: -3.162177200388682
Energy: -2.218905538577223
Energy: -2.195226958812186
Energy: -2.2508424390914734
Energy: -2.23935902905913
Energy: -2.2515689994363677
Energy: -3.1803364368496876
Energy: -2.166696875651322
Energy: -2.2443951969393945
Energy: -2.201006632978478
Energy: -1.9236214886207317
Energy: -2.295919160181421
Energy: -3.228769419137472
Energy: -2.2890667536809515
Energy: -2.380196255832154
Energy: -2.472203258886466
Energy: -2.3123784598312254
Energy: -2.366679525830788
Energy: -3.148468341394237
Energy: -2.4112002522279163
Energy: -2.371783388403744
Energy: -2.07985163762926
Energy: -2.3728097128539414
Energy: -2.36728669550523
Energy: -2.9881313922399597
Energy: -2.005718984761018
Energy: -2.0664447960141192
Energy: -2.109034413009946
Energy: -2.1299525892488846
Energy: -2.070887585352333
Energy: -2.759574595765392
Energy: -2.1123860401955343
Energy: -1.8887990925692337
Energy: -1.9466138586039503
Energy: -2.061935307354647
Energy: -1.8627093251662237
Energy: -2.6503236584452767
Energy: -2.1122562486142087
Energy: -2.328941357353615
Energy: -2.1601030910099577
Energy: -2.0093315547309265
Energy: -2.2991773974970986
Energy: -2.732193283959418
Energy: -2.300235975880746
Energy: -2.1418658791606857
Energy: -1.5372320189337934
Energy: -2.3100206567688413
Energy: -2.170792089735255

minimum gb energy = -3.2889568411908194 eV
minimum distance =  2.34903846206918 Angstroms
sigma value = 17


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

Energy: -3.0988319735737133
Energy: -2.2188564650009646
Energy: -2.361006519526649
Energy: -2.1480044908066382
Energy: -2.045517271275143
Energy: -1.8254955042198862
Energy: -3.3761134124690075
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Energy: -1.9907839178362794
Energy: -2.1316262936470967
Energy: -2.1825166254812602
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Energy: -1.9646100036668726
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Energy: -1.9781689957325732
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Energy: -1.9175115273327954
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Energy: -2.2822919393738395
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Energy: -2.2736049506061784
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Energy: -2.146575821984171
Energy: -2.397361350560228
Energy: -2.301010126783265
Energy: -2.448706112980872
Energy: -2.0096279808524775
Energy: -3.252905488059769
Energy: -2.0203690349478496
Energy: -2.377008143948477
Energy: -2.218984944608856
Energy: -2.1501300926578097
Energy: -2.6343520921876555
Energy: -3.404191797250345
Energy: -2.7468713825121274
Energy: -2.1013717058939205
Energy: -3.236320394880702
Energy: -2.457266874710202
Energy: -2.2412903023566586
Energy: -3.147186145186535
Energy: -2.351365591082964
Energy: -2.6199922199481134
Energy: -2.0254759760340684
Energy: -2.110060452689598
Energy: -1.9404662947553672
Energy: -3.5109596325238597
Energy: -2.1579051874886077
Energy: -2.2588620710683904
Energy: -2.345012736381267
Energy: -2.017437118994027
Energy: -2.2316308042894315
Energy: -3.385902400419769
Energy: -2.1493540020021795
Energy: -2.007293940578124
Energy: -2.2570613808748767
Energy: -2.0821089322076816
Energy: -2.031439883185313
Energy: -2.953499617430437
Energy: -2.1892841457028758
Energy: -2.306841376953868
Energy: -2.0007946741312246
Energy: -2.1970022076491182
Energy: -2.210904574808144
Energy: -2.9917155073140878
Energy: -2.3907072612177824
Energy: -2.3441702942138534
Energy: -1.8007239493315208
Energy: -2.432796006864612
Energy: -2.2736155544130865
Energy: -3.291413485392819
Energy: -2.2839204943276887
Energy: -2.117252858778058
Energy: -2.021721100257937
Energy: -2.151318475542518
Energy: -2.0473043111948463
Energy: -3.596847344932523
Energy: -2.2190726028545362
Energy: -2.2942138088080957
Energy: -2.1515851776452974
Energy: -2.1120197540220005
Energy: -2.0951399065070717
Energy: -3.0724483061093464
Energy: -2.227660959410191
Energy: -2.1370095430924922
Energy: -2.258207124808897
Energy: -2.1871403452318003
Energy: -2.1807073418257006
Energy: -2.505868564592788
Energy: -2.41494789400099
Energy: -2.2282267840135477
Energy: -1.9702739634513826
Energy: -2.325062069709297
Energy: -1.948740833614804

minimum gb energy = -3.596847344932523 eV
minimum distance =  2.29381762181397 Angstroms
sigma value = 17


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

Energy: -3.707883563154248
Energy: -2.913107928089791
Energy: -2.7985847053546915
Energy: -3.4098506206487476
Energy: -2.8291834886140235
Energy: -2.7985782599449704
Energy: -3.492572474547864
Energy: -3.153179644626404
Energy: -3.1982010539443504
Energy: -2.997366094617459
Energy: -2.8245027956979665
Energy: -3.1312192923701843
Energy: -3.411099972102848
Energy: -2.879843859573547
Energy: -3.0886767990535335
Energy: -3.081636383565355
Energy: -2.7411705382630456
Energy: -3.0336362549899256
Energy: -4.481960405054229
Energy: -3.221872583545664
Energy: -2.980325517362316
Energy: -3.448350432560996
Energy: -3.1359843491120896
Energy: -2.8309023639017945
Energy: -4.631463944099869
Energy: -3.080664032892858
Energy: -2.968843516984594
Energy: -3.467390396848563
Energy: -2.9230354275723642
Energy: -2.9182678575614354
Energy: -4.576257975359159
Energy: -3.1359915671247207
Energy: -2.8868901020204785
Energy: -2.9244062576138647
Energy: -3.135970322476839
Energy: -2.831101588635614
Energy: -4.412061079611733
Energy: -3.206245727302155
Energy: -3.1714231315196435
Energy: -3.450331044466475
Energy: -2.6649553654433347
Energy: -3.016399512981082
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minimum gb energy = -4.996938726353949 eV
minimum distance =  2.33767355739335 Angstroms
sigma value = 57


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

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minimum gb energy = -5.783568829814362 eV
minimum distance =  2.31333749288731 Angstroms
sigma value = 43


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

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Energy: -2.4096333341400866

minimum gb energy = -4.540359401961207 eV
minimum distance =  2.31455632485551 Angstroms
sigma value = 81


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

Energy: 0.14557660268842176
Energy: -0.90316499721198
Energy: -1.0713888789412185
Energy: 0.010237534333078812
Energy: -1.4283838728572702
Energy: 0.20197579745738273
Energy: -0.8739579230867934
Energy: -1.3012503193686213
Energy: -1.5841555686002025
Energy: -1.281607864972635
Energy: -1.3682005170422216
Energy: -1.7245670455286355
Energy: -1.9402809062142117
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Energy: -0.9530723922997304
Energy: -0.06973114049577046
Energy: -0.11442931829057681
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Energy: -0.0700803273315649
Energy: -0.07600144288355365
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Energy: -1.0321581540065978
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Energy: -1.3138887919044147
Energy: 0.009684909494309082
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Energy: -1.1487795585074987
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Energy: -1.109600573426536
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Energy: -1.1280826713152283
Energy: -1.296955688359392
Energy: -0.027852473607110687
Energy: -0.07617472725113245
Energy: -1.1185770726674196
Energy: -0.027589909981964342
Energy: -0.076374202384857
Energy: -1.7713009267246933
Energy: -0.06994263292528273
Energy: -0.11489256011867888
Energy: -1.3261549793645961
Energy: -0.07008535956045109
Energy: -0.11511189727434784
Energy: -2.1448497345976776
Energy: -1.4831753197723656
Energy: -1.2829151116046675
Energy: -0.13514596943843218
Energy: -1.5002775821416008
Energy: -1.1993105895790699

minimum gb energy = -2.1448497345976776 eV
minimum distance =  2.3111956377942 Angstroms
sigma value = 3


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

Energy: -1.4665927341007199
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Energy: -2.943876761673583
Energy: -2.484224101815371
Energy: -2.528928514478379
Energy: -3.49839897937019

minimum gb energy = -4.723402433103299 eV
minimum distance =  2.32851675384217 Angstroms
sigma value = 67


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

Energy: -2.289042053064796
Energy: -3.5386100428185965
Energy: -2.9592802751944167
Energy: -1.6248399321268048
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Energy: -5.148977472607403
Energy: -4.1357830226579955
Energy: -4.683260797473424
Energy: -4.744387069005673

minimum gb energy = -6.7373074920973375 eV
minimum distance =  2.31826821058757 Angstroms
sigma value = 33


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

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Energy: -3.099005148617779
Energy: -2.698347803398853
Energy: -2.9206415980334386
Energy: -2.76173254636722
Energy: -2.9208054943552364
Energy: -3.09089779197227
Energy: -3.0449217847192043
Energy: -3.1341741768062725
Energy: -3.7399733894877185
Energy: -2.9118631203707026
Energy: -3.9421264971652
Energy: -3.324667162464927
Energy: -2.394319422017469
Energy: -2.946380045750518
Energy: -3.6881861501474282
Energy: -2.9835889936707165
Energy: -2.515918912642454
Energy: -2.857205535141553
Energy: -3.222978593465099
Energy: -3.1030004388956427
Energy: -3.164293954839409
Energy: -2.8097513150104465
Energy: -3.4030197930687356
Energy: -2.628930175343652
Energy: -4.131933561265642
Energy: -3.0222846508809424
Energy: -3.09262328569995
Energy: -2.7672283187893454
Energy: -3.0400452958337847
Energy: -2.7401072343039115
Energy: -2.652263109682045
Energy: -3.887067603180849
Energy: -1.4699191771504978
Energy: -2.16158144454205
Energy: -2.737929300374746
Energy: -4.332114091141691
Energy: -2.345371392827331
Energy: -4.129543415596539

minimum gb energy = -5.9355033092128044 eV
minimum distance =  2.26383144792808 Angstroms
sigma value = 41


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

Energy: -0.2793683815733728
Energy: -1.8543239928072959
Energy: -1.4687438706346796
Energy: -2.635314023002375
Energy: -1.9170238684599252
Energy: -1.4472362943810635
Energy: -2.454525860240436
Energy: -2.82471925874157
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Energy: -2.5180653666209194
Energy: -2.0876099443101137
Energy: -2.4253943591697813
Energy: -2.2172713079783706
Energy: -2.584181685386945
Energy: -2.470337898064778
Energy: -2.353411513111637
Energy: -2.1040456150928595
Energy: -2.808079412903356
Energy: -2.827668369600043
Energy: -2.6526447582533454
Energy: -1.9957758974800675
Energy: -2.5936300601827496
Energy: -2.5395372962880756
Energy: -2.495749849980578
Energy: -2.6319797215853447
Energy: -2.41581491930266
Energy: -2.5194425396890363
Energy: -2.8274098703665933
Energy: -2.132051695918335
Energy: -2.308241881882102
Energy: -2.6982528994786152
Energy: -1.8207300308317607
Energy: -1.8138810763429112
Energy: -2.8445483841134984
Energy: -1.6885096056421218
Energy: -2.155690903971666
Energy: -1.2124665525528537
Energy: -2.9967849809776133
Energy: -2.2411025823207478
Energy: -1.5942703231897628
Energy: -2.290822914163665
Energy: -2.4527404091245324
Energy: -2.027955914910346
Energy: -2.416271251569541
Energy: -2.6664254701392665
Energy: -2.3944838086001017
Energy: -2.8990643545168737
Energy: -2.6751966152351114
Energy: -2.519923027380213
Energy: -2.7415080281388686
Energy: -2.8043746149418456
Energy: -2.807616369463403
Energy: -2.8880772689983347
Energy: -2.9656874252739653
Energy: -2.6303312313771987
Energy: -1.9582999547710513
Energy: -2.4644742509277124
Energy: -2.702891927773131
Energy: -1.7087301041474823
Energy: -2.708132082126996
Energy: -2.4007838342099896
Energy: -2.7409441713197107
Energy: -2.4457623143343827
Energy: -2.635887229391393
Energy: -2.4685952733477894
Energy: -2.604265800851638
Energy: -2.634713737767287
Energy: -3.122300722543775
Energy: -1.3975314737209776
Energy: -2.1381849169590184
Energy: -3.0860866847871753
Energy: -1.9450557732961313
Energy: -2.393246271832274
Energy: -2.5973808020895426
Energy: -2.5604634285669863
Energy: -2.1335810352122513
Energy: -2.0593763839378134
Energy: -2.608580196687754
Energy: -3.7794389228671474
Energy: -2.076708672249838
Energy: -1.514329638290842
Energy: -2.9620717542643438
Energy: -1.8831404031918761
Energy: -1.6291317328868107

minimum gb energy = -3.7794389228671474 eV
minimum distance =  2.3460491200916 Angstroms
sigma value = 11


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

Energy: -1.9698213231954045
Energy: -1.9144494887304708
Energy: -1.1567658738655184
Energy: -0.7116039301098743
Energy: -1.700664457597812
Energy: -1.6046306856554513
Energy: -1.5415655389973493
Energy: -2.1967584958075785
Energy: -2.9580030329920604
Energy: -2.615437252119301
Energy: -1.7703939126239157
Energy: -1.7042080832468924
Energy: -1.9609180232597168
Energy: -1.60074560091961
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Energy: -2.1220420666111006
Energy: -1.8912325274135415
Energy: -2.0062483434126346
Energy: -3.7293472098333114
Energy: -2.483064198596426
Energy: -1.8370499750454015
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Energy: -1.892448297851243
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Energy: -1.7961219388835867
Energy: -3.2339289284953368
Energy: -3.081060599364362
Energy: -2.133248786164822
Energy: -2.5871525865605816
Energy: -1.692222185856351
Energy: -1.788465044122481
Energy: -2.0275239230126707
Energy: -2.508933891847837
Energy: -1.6432001479911453
Energy: -2.446421280870804
Energy: -2.3623187076776606
Energy: -2.129999565356584
Energy: -2.103854030238987
Energy: -3.254656061234989
Energy: -2.3298409826493693
Energy: -2.3935173585256
Energy: -1.7309720800253268
Energy: -1.770775901236715
Energy: -2.7140677351678213
Energy: -3.1478911991875815
Energy: -2.9244893871280175
Energy: -2.397209928150996
Energy: -2.752742428489046
Energy: -3.0308224744618664
Energy: -2.880942295409173
Energy: -1.544329296454715
Energy: -3.0164729997688733
Energy: -3.332429108405361
Energy: -2.0705922968630657
Energy: -1.8920899274701026
Energy: -1.511655531043774
Energy: -1.76203636187034
Energy: -2.17363128203614
Energy: -1.9259455277526878
Energy: -2.2628418908897237
Energy: -2.1897402039022205
Energy: -2.2427371024554943
Energy: -1.7234506042006086
Energy: -1.886456821358149
Energy: -1.8820916086090866
Energy: -2.115616665076432
Energy: -1.7652941667322266
Energy: -1.6119654671768933
Energy: -2.2929612573467497
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Energy: -2.3191403642150648
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Energy: -1.8736210162543625
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Energy: -2.348199074706771
Energy: -2.553177260896735
Energy: -2.2360796230491387
Energy: -2.2601639668748588
Energy: -1.6073399104970905
Energy: -1.5703356355909446
Energy: -1.6044920126793907
Energy: -2.2980087983475594
Energy: -3.186781854801514
Energy: -1.5690164849597088
Energy: -1.8372081932409214
Energy: -1.6918832925028513
Energy: -2.2899952950170275
Energy: -2.327192707730754
Energy: -2.1520849492795855
Energy: -2.1856558963488077
Energy: -1.8907287298859738
Energy: -2.042087654711851
Energy: -2.2777114914935552
Energy: -1.9153815027424967
Energy: -1.9993814417657243
Energy: -2.0485334595634925
Energy: -2.1049117736835843
Energy: -2.1542863762152686
Energy: -2.6778745256685714
Energy: -2.376468069031532
Energy: -1.7288745712659925
Energy: -1.9773583463587663
Energy: -2.6526666334238107
Energy: -1.7294411912762897
Energy: -2.1139321704156493
Energy: -1.7569860038469984
Energy: -2.2067522367633723
Energy: -2.2272031915738753
Energy: -3.22639222041005
Energy: -1.6173287229359612
Energy: -1.6713201366738377
Energy: -1.8580278435651147
Energy: -2.049937880477621
Energy: -1.9348474716487758
Energy: -2.8107648069528417
Energy: -1.6283720792057093
Energy: -1.7338305703763979
Energy: -1.6549532918412766
Energy: -1.8901493393177196
Energy: -1.8375898364834806
Energy: -1.7043020003890654
Energy: -1.585414147589841
Energy: -1.7054758327275643
Energy: -3.0410353137524604
Energy: -1.4542111648653984
Energy: -1.774079544256975
Energy: -1.3543881891205376
Energy: -2.090370897564708
Energy: -2.5541947471297326
Energy: -1.8411665234462933
Energy: -1.8248962348906312
Energy: -1.971866138783431
Energy: -3.2565587262371434
Energy: -1.8248992848575232
Energy: -2.0629219788422923
Energy: -2.8635959242425795
Energy: -3.3421950242271303
Energy: -1.7372636444403462
Energy: -1.7586609867961702
Energy: -1.680120971905902
Energy: -2.128198179071957
Energy: -2.0110606826313635

minimum gb energy = -3.7293472098333114 eV
minimum distance =  2.26754207659377 Angstroms
sigma value = 57


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

Energy: -0.30909903414409706
Energy: -1.1953770983914032
Energy: -1.2529504417944486
Energy: -1.0237611934750825
Energy: -1.5825216208161832
Energy: -0.8029984438420158
Energy: -2.0487486305310076
Energy: -1.4944333233361538
Energy: -1.4071574668270403
Energy: -1.6894521203212618
Energy: -1.5007560141629814
Energy: -1.1401534304507992
Energy: -1.5973358437692657
Energy: -1.3067102455218589
Energy: -3.9928653144580695
Energy: -1.4575440527705275
Energy: -1.2209842629840393
Energy: -1.3906352585199961
Energy: -2.031275768179555
Energy: -2.0029573094109456
Energy: -1.9840179132915117
Energy: -1.7506521480740245
Energy: -1.2315557084255015
Energy: -2.0766264127406355
Energy: -1.9953818181820386
Energy: -1.5664362939218859
Energy: -1.6266201365868136
Energy: -1.7819572760383005
Energy: -1.584865913462377
Energy: -1.4632466451704418
Energy: -1.9309967545269964
Energy: -1.6959934091573905
Energy: -1.7870557406120553
Energy: -1.6922671847746356
Energy: -0.9965310414388774
Energy: -3.3813034375746795
Energy: -1.4093502536122118
Energy: -1.435880214577323
Energy: -1.4962131362469433
Energy: -1.3085561975648587
Energy: -1.428898948906241
Energy: -1.746641740843114
Energy: -1.2596438665808625
Energy: -1.7696572176022065
Energy: -1.7572760384820785
Energy: -1.4808765414375769
Energy: -1.6754542476854912
Energy: -1.7957723523544251
Energy: -1.8123057027910487
Energy: -1.2951369304882665
Energy: -1.1961887883123832
Energy: -1.4420618639695735
Energy: -1.4481360340255887
Energy: -1.5445984578618432
Energy: -1.6839539140184767
Energy: -1.3445818629946893
Energy: -1.5435426364921336
Energy: -1.492002196546691
Energy: -1.729314704570114
Energy: -1.4733584089504133
Energy: -2.0183920423744257
Energy: -1.9619643945297858
Energy: -1.8110085154761346
Energy: -1.772862190605203
Energy: -1.6615848875025903
Energy: -1.852111432212386
Energy: -1.5769534525057574
Energy: -1.2171543890642158
Energy: -0.9600625917351034
Energy: -2.3434196966558236
Energy: -4.269475842871415
Energy: -2.9073745092459657
Energy: -2.0739501475530364
Energy: -1.4776579964560417
Energy: -1.6162189527940858
Energy: -1.7441667682285322
Energy: -1.4790959173113296
Energy: -2.0149393733070196
Energy: -1.9907984148537365
Energy: -1.4907849186818187
Energy: -1.6247341200749799
Energy: -3.966619048756353
Energy: -3.5387267209731927
Energy: -1.5141611586532213
Energy: -2.071623420955897
Energy: -1.6044334138643699
Energy: -1.7337563983677684
Energy: -1.7522943870437993
Energy: -1.573288032767571
Energy: -1.7574808462421463
Energy: 0.7312632017932796
Energy: -1.5310567453888946
Energy: -1.0307069622899443
Energy: -0.8580179432652677
Energy: -1.5503552361662916
Energy: -1.5099985728932321
Energy: -1.8273730841314615
Energy: -1.5890731807569398
Energy: -1.553130910041218
Energy: -1.4114684554172707
Energy: -1.4826766648491057
Energy: -1.4161987709558324

minimum gb energy = -4.269475842871415 eV
minimum distance =  2.27471388737211 Angstroms
sigma value = 9


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

Energy: -1.8666248158934309
Energy: -2.134125422448857
Energy: -2.1719520038122826
Energy: -2.400407242325329
Energy: -2.309527912029255
Energy: -2.0156120791087098
Energy: -2.533310149186919
Energy: -2.344884425113916
Energy: -2.2022139710815303
Energy: -2.6200212629240593
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Energy: -3.6657684810772024
Energy: -2.3182675650311753
Energy: -2.4786111557466364
Energy: -3.712036064601821
Energy: -2.3745368778107867
Energy: -3.109488264164559
Energy: -2.8571433203663115
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Energy: -2.9412571459262726
Energy: -2.5785399261985136
Energy: -2.776011743152454
Energy: -2.3433068611547885
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Energy: -3.467563417811575
Energy: -2.8719088653969993
Energy: -2.672444433395233
Energy: -2.872851773561351
Energy: -1.921595120212775
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Energy: -2.621367975665847
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Energy: -2.745751023721058
Energy: -2.4880391327174416
Energy: -2.7415403369577276
Energy: -2.498825130153733
Energy: -5.013927651885371
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Energy: -2.3588510306569255
Energy: -2.8647722105100044
Energy: -2.61233560379875
Energy: -3.6525433018293945
Energy: -2.857044498494217
Energy: -3.4144618542537075
Energy: -2.6467408179243095
Energy: -2.69552403380926
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Energy: -2.38090572437501
Energy: -2.5651383946763224
Energy: -2.5177894118112185
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Energy: -3.205267594637235
Energy: -2.457302332654516
Energy: -2.1726443317840682
Energy: -1.9796419516003891
Energy: -2.463281233761101
Energy: -1.9481816884059928
Energy: -2.542383406294166
Energy: -2.8433413724080565
Energy: -2.544658297526262
Energy: -2.637943883736646
Energy: -3.1260890923241345
Energy: -2.147354743818525
Energy: -2.5170507747865214
Energy: -2.0058410673422515
Energy: -2.1729408091467386
Energy: -2.566677990545198
Energy: -2.400468494482008
Energy: -2.4563917182693293
Energy: -2.9905082952206206
Energy: -2.4213333116841715
Energy: -2.3271984974854343
Energy: -3.1592937625032467
Energy: -2.379918493259036
Energy: -2.7903501465296427
Energy: -2.234590616192312
Energy: -4.175918709169245
Energy: -2.9899365638253133
Energy: -2.300839328995008
Energy: -2.3229177571870014
Energy: -2.604308781663217
Energy: -2.5133954214492538
Energy: -3.2899127965773953
Energy: -2.4474682861788413
Energy: -2.45280699763665
Energy: -2.607280623909632
Energy: -2.747189414030869
Energy: -2.640605826942529
Energy: -2.5646857537687837
Energy: -2.5525714894171747
Energy: -2.658197213302733
Energy: -2.6586372628551387

minimum gb energy = -5.013927651885371 eV
minimum distance =  2.29937702584034 Angstroms
sigma value = 27


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

Energy: -1.2813259076036643
Energy: -3.0124984310843383
Energy: -3.60409836610901
Energy: -2.7755292523859705
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Energy: -2.2715299446222237
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Energy: -2.1092118786253717
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Energy: -3.088337992060564
Energy: -2.431578853610144
Energy: -2.627901522138656
Energy: -2.832012749233418
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Energy: -2.8312867579918954
Energy: -2.022748619186612
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Energy: -3.1683343499658583
Energy: -2.4157540575854193
Energy: -2.4392029000084308
Energy: -1.7105484768121857
Energy: -3.3484295855611794
Energy: -2.989843194925498
Energy: -2.5085114323956934
Energy: -2.7872400535184223
Energy: -2.895341678969845
Energy: -2.025444408479647
Energy: -3.3295530433513374
Energy: -4.928052453184895
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Energy: -2.865976862375834
Energy: -3.0933260408007452
Energy: -3.0445457429770206
Energy: -3.0461243523164505
Energy: -3.3100816410310596

minimum gb energy = -4.928052453184895 eV
minimum distance =  2.2292733658286 Angstroms
sigma value = 19


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

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Energy: -0.32089877969692504
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Energy: -1.887967807130421
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Energy: -1.7935772968909924
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Energy: -1.2410969531992977
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Energy: -1.557875309245664
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Energy: -1.549167427968163
Energy: -1.7879605282652073
Energy: -1.5798542923450858
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Energy: -2.008874477317902
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Energy: -1.7960912403740181
Energy: -1.7712193498055504
Energy: -1.6467015594099874
Energy: -1.5180933316621608
Energy: -1.5773739783382472
Energy: -1.7056845949980404
Energy: -1.8141080232859352
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Energy: -1.8913580409241084
Energy: -1.1789918062009253
Energy: -1.6854487608814865
Energy: -1.1084653076849769

minimum gb energy = -3.3837284613986003 eV
minimum distance =  2.28963861566304 Angstroms
sigma value = 101


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

Energy: -1.6943923877356304
Energy: -1.417048435668333
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Energy: -3.719965205046892
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Energy: -1.6232426497471486
Energy: -1.541528104720192
Energy: -1.5657966712731666
Energy: -1.602374399215939
Energy: -1.5702438078101366
Energy: -1.8057305363331972
Energy: -1.8046232665782171
Energy: -3.092758781464499
Energy: -1.6540155810163097
Energy: -1.7444160856984687
Energy: -1.7181996931005592
Energy: -1.7802060277526932
Energy: -1.4932088156651113
Energy: -1.5533007429836494
Energy: -1.5457175077439151
Energy: -1.5672342484373543
Energy: -1.6314522325437266
Energy: -1.4276224797893233
Energy: -4.182642513795762
Energy: -3.4001312523570753
Energy: -4.220740682661289
Energy: -1.4239323265164128
Energy: -1.3773105482244592
Energy: -1.8340374839048101

minimum gb energy = -4.220740682661289 eV
minimum distance =  2.31770768656995 Angstroms
sigma value = 33


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

Energy: 0.01705336981565087
Energy: -2.2019307541325017
Energy: -1.6572878333471999
Energy: 0.018192344581361937
Energy: -3.1262658864880803
Energy: -3.7958312186257923
Energy: 0.25227550012476574
Energy: -2.65961556349917
Energy: -3.077895437128372
Energy: -1.4443634120126132
Energy: -2.4101378070861323
Energy: -2.0678256791192346
Energy: 1.2469101506464302
Energy: -2.2263073259061974
Energy: -3.172390275130148
Energy: -2.9204562011210724
Energy: -3.2323472985666215
Energy: -3.3611255068241737
Energy: 0.017696659883774817
Energy: -2.7464836783479942
Energy: -3.1549603164152975
Energy: -1.4443627033782682
Energy: -2.410137544021321
Energy: -2.0678266916514256

minimum gb energy = -3.7958312186257923 eV
minimum distance =  2.41529678976448 Angstroms
sigma value = 1