Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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=3.623951092362404
cohesive_energy=4.187902403425222
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016105199968421902
Energy: 1.0583827397072034
Energy: 0.016105199968733965
Energy: 1.058382739706926
Energy: 0.016105199968733965
Energy: 1.0583827397072034
Energy: 1.0583827397072034
Energy: 0.6692891357365919
Energy: 1.058382739706926
Energy: 0.6692891357365919
Energy: 1.058382739706926
Energy: 0.6692891357365919
Energy: 0.016105199968733965
Energy: 1.058382739706926
Energy: 0.016105199969046025
Energy: 1.058382739706926
Energy: 0.016105199968733965
Energy: 1.0583827397072034
Energy: 1.058382739706926
Energy: 0.6692891357365919
Energy: 1.058382739706926
Energy: 0.7321066791608715
Energy: 1.058382739706926
Energy: 0.6692891357365919
Energy: 0.016105199968421902
Energy: 1.058382739706926
Energy: 0.016105199968733965
Energy: 1.058382739706926
Energy: 0.016105199968733965
Energy: 1.058382739706926
Energy: 1.0583827397072034
Energy: 0.6692891357365919
Energy: 1.0583827397072034
Energy: 0.6692891357365919
Energy: 1.0583827397072034
Energy: 0.6692891357365919

minimum gb energy = 0.016105199968421902 eV
minimum distance =  2.41206581178362 Angstroms
sigma value = 1


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

Energy: 0.9085386597646187
Energy: 0.7046952849544631
Energy: 0.9085386597653698
Energy: 0.7046952645947837
Energy: 0.9085386597638676
Energy: 0.7046952141183567
Energy: -3.771836612878742
Energy: -2.8935910017928212
Energy: -3.368727699491127
Energy: -3.981517974816738
Energy: -2.6074676709828144
Energy: -4.500551428828973
Energy: 0.7864092948759812
Energy: -3.4244800084913227
Energy: 0.7864091862676929
Energy: -4.192008597135946
Energy: 0.786408893785026
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Energy: 0.9201575614081904
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Energy: 0.7207995985184714
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Energy: -3.189204370259354
Energy: 0.7650421549292356
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Energy: -4.872558110435081
Energy: -4.017229020690847
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Energy: -3.16798165597904
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Energy: -1.565058361334591
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Energy: -1.712281430359781
Energy: 0.605691257647282
Energy: -3.4340638770503324
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Energy: -2.66425997452363
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Energy: -4.6451357788806416
Energy: -3.3937875843565575
Energy: -2.468312091075469
Energy: -3.436253100593128
Energy: -2.280842489097512
Energy: 1.0218000444430146
Energy: -2.7393770986574326
Energy: 1.0218000444437658
Energy: -3.2589395577152596
Energy: 1.0218000444430146
Energy: -3.3672443600456567
Energy: 0.855240826401359
Energy: -1.9051840699506544
Energy: 0.8552408263976031
Energy: -2.2263601607589307
Energy: 0.8552408263991055
Energy: -2.234944238383805
Energy: 0.8542563817585509
Energy: 0.7663176080772753
Energy: 0.8542563817562976
Energy: 0.7663176080787778
Energy: 0.8542563817397717
Energy: 0.7663176080765243
Energy: 0.7603970968752295
Energy: -3.98067610970453
Energy: 0.7603970968759808
Energy: -3.964447685972156
Energy: 0.7603970968759808
Energy: -3.1078867290244148
Energy: -5.206371660222009
Energy: -4.53794751972435
Energy: -4.487490464019229
Energy: -4.823115200846023
Energy: -4.304812633833232
Energy: -3.99639325528853
Energy: -3.3750902703332386
Energy: -3.167311435550465
Energy: -3.9012300948438408
Energy: -3.949277875083568
Energy: -3.4010679430983077
Energy: -3.8594785730240857
Energy: -2.6390951398915883
Energy: 0.8809869447058927
Energy: -3.140844146345956
Energy: 0.8809869447066438
Energy: -3.000382907203486
Energy: 0.8809869447058927
Energy: 0.4068419722378349
Energy: 1.1162474893836982
Energy: -2.7946143994727155
Energy: 1.1162474893716794
Energy: -2.8783551822489555
Energy: 1.1162474893130883

minimum gb energy = -5.206371660222009 eV
minimum distance =  2.29706539969236 Angstroms
sigma value = 33


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

Energy: 0.9468300289642948
Energy: 1.1459206360022063
Energy: 0.946830028964722
Energy: 1.1459206360004972
Energy: 0.9468300289642948
Energy: 1.1459206360000698
Energy: 1.0567826268692255
Energy: 0.7952735973689833
Energy: 1.0567823316942315
Energy: 0.7952735973706923
Energy: 1.0567812782614756
Energy: 0.795273597370265
Energy: 0.6320712207448311
Energy: 0.8019886489334217
Energy: 0.6320712207418403
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Energy: 0.9398954368671476
Energy: 0.938751472964875
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Energy: 0.7984046057562548
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Energy: 0.798404605754973
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Energy: 0.9451518299368616
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Energy: 0.7942480580375276
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Energy: 0.7942480580349641
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Energy: 0.851009161771503
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Energy: 0.6323965407203923
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Energy: 0.7938477075076594
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Energy: 0.9402903296073878
Energy: 0.9430805857141489
Energy: 0.9402903296095241
Energy: 0.9430805857120127
Energy: 0.9402903296103787
Energy: 0.9430805857145762
Energy: 0.6322497528967667
Energy: 0.7937442442034796
Energy: 0.632249752898903
Energy: 0.7937442442004887
Energy: 0.6322497529001848
Energy: 0.7937442442017705
Energy: 0.8236212191499502
Energy: 0.794535534222588
Energy: 0.8236212191486683
Energy: 0.7945355342221607
Energy: 0.8236212191503774
Energy: 0.7945355342230154
Energy: 0.9487997197474307
Energy: 1.056082359597861
Energy: 0.9487997197448672
Energy: 1.0560823595961522
Energy: 0.9487997197470035
Energy: 1.056082359597861
Energy: 1.0555753186326153
Energy: 0.6088047367364452
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Energy: 0.6837383856448191
Energy: 0.6336182623656507
Energy: 0.6837383856422555
Energy: 0.6336182623669323
Energy: 0.6837383856443918

minimum gb energy = -4.082204364467606 eV
minimum distance =  2.35523424496291 Angstroms
sigma value = 51


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

Energy: 0.9003425722936462
Energy: 1.0101190154989028
Energy: 0.9003425722926562
Energy: 1.0101190154989028
Energy: 0.9003425722926562
Energy: 1.0101190154989028
Energy: 1.1230021499275962
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Energy: -0.9030050565078597
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Energy: 0.8109257727789944
Energy: 0.8701298534769508
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Energy: 0.8701298527486552
Energy: 0.8109257727671149
Energy: 0.8701298517986984
Energy: 0.8532011744393174
Energy: 0.8500885272228461
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Energy: 0.8532008232891112
Energy: 0.8500885272238362
Energy: 0.8583511055760024
Energy: 1.0293480876996755
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Energy: 1.0293479717703915
Energy: -2.062021435773634
Energy: 0.8546431849746312
Energy: -2.165478410950512
Energy: 0.8546431849756212
Energy: -2.1641209302126763
Energy: 0.8546431849756212

minimum gb energy = -2.288958789505949 eV
minimum distance =  2.3386631989771 Angstroms
sigma value = 19


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

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Energy: 0.5993002504589706
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Energy: 0.7086339915803508
Energy: 0.6382373318745155
Energy: 0.708633991580938
Energy: 0.638237331873341
Energy: 0.7086339915815252
Energy: 0.6382373318745155
Energy: 0.9720366036774073
Energy: 0.9075332645297317
Energy: 0.9720366036756458
Energy: 0.9075332645297317
Energy: 0.9720366036686259
Energy: 0.907533264530319
Energy: 0.5992133154199939
Energy: 0.9056036293467932
Energy: 0.5992133154199939
Energy: 0.9056036293462059
Energy: 0.5992133154205811
Energy: 0.9056036293444443
Energy: 0.8523840019422048
Energy: 0.5994520786842097
Energy: 0.8523840019398559
Energy: 0.5994520786842097
Energy: 0.8523840019422048
Energy: 0.5994520786842097
Energy: 0.8029499824423306
Energy: 0.7082032600748376
Energy: 0.8029499824440924
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Energy: 0.8029499824429179
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Energy: 0.8029495186944949
Energy: 0.7082009918161345
Energy: 0.8029495186933205
Energy: 0.7082009918173088
Energy: 0.8029495186950822
Energy: 0.7082009918167216
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Energy: 0.5992003090498105
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Energy: 0.5992003090503978
Energy: 0.9056628628339592
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Energy: 0.9056628628351336
Energy: 0.9720073759775641
Energy: 0.90749067977699
Energy: 0.9720073759722792
Energy: 0.9074906797775774
Energy: 0.9720073759646453
Energy: 0.9074906797781643
Energy: 0.7086339915803508
Energy: 0.6382373318739283
Energy: 0.708633991580938
Energy: 0.638237331873341
Energy: 0.708633991580938
Energy: 0.6382373318745155
Energy: 0.9720366036774073
Energy: 0.9075332645291445
Energy: 0.972036603676233
Energy: 0.907533264530319
Energy: 0.9720366036680385
Energy: 0.9075332645309062
Energy: 0.5992133154199939
Energy: 0.9056036293462059
Energy: 0.5992133154199939
Energy: 0.9056036293456186
Energy: 0.5992133154199939
Energy: 0.9056036293444443
Energy: 0.852384001942792
Energy: 0.5994520786836224
Energy: 0.8523840019404431
Energy: 0.5994520786842097
Energy: 0.852384001942792
Energy: 0.5994520786847969
Energy: 0.8029499824440924
Energy: 0.7082032600748376
Energy: 0.8029499824429179
Energy: 0.7082032600760121
Energy: 0.8029499824423306
Energy: 0.7082032600748376
Energy: 0.8029495186944949
Energy: 0.7082009918161345
Energy: 0.8029495186944949
Energy: 0.7082009918167216
Energy: 0.8029495186956696
Energy: 0.7082009918167216
Energy: 0.852358626193537
Energy: 0.5993002504589706
Energy: 0.852358626193537
Energy: 0.5993002504589706
Energy: 0.8523586261929497
Energy: 0.5993002504589706
Energy: 0.5992003090498105
Energy: 0.9056628628351336
Energy: 0.5992003090498105
Energy: 0.9056628628345464
Energy: 0.5992003090498105
Energy: 0.9056628628339592
Energy: 0.9720073759769768
Energy: 0.9074906797775774
Energy: 0.9720073759722792
Energy: 0.9074906797781643
Energy: 0.9720073759640581
Energy: 0.9074906797775774
Energy: 0.7086339915803508
Energy: 0.6382373318739283
Energy: 0.7086339915803508
Energy: 0.638237331873341
Energy: 0.708633991580938
Energy: 0.6382373318745155
Energy: 0.9720366036774073
Energy: 0.9075332645297317
Energy: 0.9720366036768201
Energy: 0.907533264530319
Energy: 0.9720366036680385
Energy: 0.9075332645297317
Energy: 0.5992133154199939
Energy: 0.9056036293467932
Energy: 0.5992133154205811
Energy: 0.9056036293467932
Energy: 0.5992133154199939
Energy: 0.9056036293444443

minimum gb energy = 0.5992003090498105 eV
minimum distance =  2.35902421906053 Angstroms
sigma value = 27


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

Energy: 0.6497642472125161
Energy: 0.5927898094127442
Energy: 0.6497642472096393
Energy: 0.5927898094127442
Energy: 0.6497642472096393
Energy: 0.5927898094127442
Energy: -0.6210572790496836
Energy: -0.9208049870753958
Energy: -0.7782425429056671
Energy: -0.9389068914343467
Energy: -0.7784218498091626
Energy: -0.9378748832068904
Energy: 0.5755346646937859
Energy: -1.212285375274284
Energy: 0.5755346646952244
Energy: -1.2376720486128223
Energy: 0.5755346646981011
Energy: -1.2138705081936088
Energy: 0.8690445694367165
Energy: 0.5717515363848058
Energy: 0.8690445694367165
Energy: 0.5717515363862442
Energy: 0.8690445694367165
Energy: 0.5717515363862442
Energy: -0.863239210995965
Energy: 0.5717587174828088
Energy: -0.865045946613721
Energy: 0.5717587159746034
Energy: -0.8653203937405115
Energy: 0.5717587168372711
Energy: 0.7490371452202198
Energy: 0.8365927370271373
Energy: 0.7490371452115895
Energy: 0.8365927369250779
Energy: 0.7490371451785067
Energy: 0.8365927364793766
Energy: 0.7050277925558465
Energy: 0.6347723402410714
Energy: -0.7240449800475655
Energy: 0.6347723402410714
Energy: -0.7240508887354515
Energy: 0.6347723402410714
Energy: 0.6486456262415856
Energy: 0.5917194291241177
Energy: 0.6486456262415856
Energy: 0.5917194138553024
Energy: 0.6486456262415856
Energy: 0.5917194111509214
Energy: -0.9362115744996106
Energy: 0.5758805125083301
Energy: -0.9197106799281224
Energy: 0.5758805125011709
Energy: -0.9153064305552658
Energy: 0.5758805124997326
Energy: 0.6807113175476874
Energy: -2.327482646199862
Energy: 0.6807113175476874
Energy: -1.8726373202466229
Energy: 0.6807113175476874
Energy: -2.7207582347532577
Energy: -1.5040528835550644
Energy: 0.574280562759395
Energy: -1.7380956736546076
Energy: 0.574280562759395
Energy: -1.3958078243881271
Energy: 0.574280562759395
Energy: -1.1732085366583878
Energy: 0.7400214580123631
Energy: -1.4760835304469064
Energy: 0.7400206314871731
Energy: -1.4098738763876892
Energy: 0.740015054828134

minimum gb energy = -2.7207582347532577 eV
minimum distance =  2.36480563950267 Angstroms
sigma value = 9


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

Energy: 0.7122619782989486
Energy: 0.6003983329936934
Energy: 0.7122619783025859
Energy: 0.6003983329965223
Energy: 0.7122619783005651
Energy: 0.6003983329965223
Energy: -3.751617342506341
Energy: 0.5663996685781062
Energy: -3.837202588251305
Energy: 0.5663996685801269
Energy: -3.942183089975445
Energy: 0.5058770036126088
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Energy: -4.504488074073352
Energy: 0.47371788692221845
Energy: -4.251113552072965
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Energy: -4.315005225688982
Energy: 0.5278998973206499
Energy: 0.5058797443610599
Energy: 0.5278998973158369
Energy: 0.5059245782390427
Energy: 0.5278998972588518
Energy: 0.505895714440644
Energy: -3.3639345041757864
Energy: 0.5572430907765238
Energy: -3.7123724258502278
Energy: 0.5572430907753113
Energy: -3.8762748578127235
Energy: 0.557243090763591
Energy: -4.106090615162353
Energy: -3.5517672689440234
Energy: -3.5400712063144093
Energy: -3.513113096622915
Energy: -4.410814234803846
Energy: -4.222740166467441
Energy: 0.585679948861032
Energy: -4.369902133666365
Energy: 0.5856439451939368
Energy: -4.202851955952424
Energy: 0.5856433482768221
Energy: -4.56664209128285
Energy: 0.4680022044854827
Energy: 0.6467738426210982
Energy: 0.46800220448305774
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Energy: 0.6467738424958852
Energy: -1.9629684265890832
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Energy: -2.349850500290001
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Energy: -2.098895770085523
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Energy: -3.918063016651893
Energy: -3.659430456405435
Energy: -4.204304820029858
Energy: -4.282369566873426
Energy: -3.906282001336047
Energy: -4.0122016126896805
Energy: 0.5834747777631523
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Energy: 0.5834745726247079
Energy: 0.5146701062195097
Energy: 0.5834739202376278
Energy: 0.5146701062215304
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Energy: -3.5028493621314065
Energy: 0.5107639704666761
Energy: -3.8960970469040945
Energy: 0.5107639704662719
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Energy: -2.7641390763240574
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Energy: -4.294306748164931
Energy: -3.7547962951743203
Energy: -3.16015803214451
Energy: -3.9915007551340524
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Energy: 0.6706597570556972
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Energy: -3.8599909560425396
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Energy: 0.5205080470913988
Energy: 0.5158082164646238
Energy: 0.5205080470913988
Energy: 0.5158082163106796
Energy: 0.5205080470938236
Energy: 0.47194152394530386
Energy: -2.657305503215916
Energy: 0.47194152394570804
Energy: -2.4698653878444343
Energy: 0.4719415239469204
Energy: -2.561225186116171
Energy: 0.8737935227879751
Energy: -3.425205748273543
Energy: 0.8737933565526349
Energy: -3.1775999227479974
Energy: 0.8737928440802154
Energy: -2.4000242046026594
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Energy: -3.0762597837842955
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Energy: -2.247589433415936
Energy: 0.47151410143891487
Energy: -3.138387141046796
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Energy: 0.5205766876889591
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Energy: 0.5205766876889591
Energy: 0.5158165978986761
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Energy: -4.083660648563989
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Energy: -4.09547237638477
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Energy: -4.454043491246716
Energy: -4.10035016113149
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Energy: 0.5553575301887448
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Energy: 0.6708158235807717
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Energy: -3.7370882581637344
Energy: -4.048020194888849
Energy: -3.1145860614309706
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Energy: -3.88950573633111
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Energy: -1.6110285632491
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Energy: 0.4681571949666667
Energy: 0.6468497039436066
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Energy: 0.6468497039306739
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Energy: -4.178918546031072
Energy: 0.5857680853739314
Energy: -4.127427217202462
Energy: 0.5854866837919639
Energy: -4.382977531856614
Energy: -3.8712401345525453
Energy: -4.038928683400324
Energy: -3.651311667415709
Energy: -4.036911588675148
Energy: -4.119422540187115
Energy: -4.4297873902103
Energy: -2.4972828015583577
Energy: 0.5573213894473895
Energy: -4.075235706698343
Energy: 0.5573213894429438
Energy: -3.9585610902279873
Energy: 0.5573213894421355
Energy: 0.5277862507611348
Energy: 0.5176481926713683
Energy: 0.5277862507409272
Energy: 0.5176481926697516
Energy: 0.5277862507150617
Energy: 0.51764819267056
Energy: 0.47375935303269595
Energy: -3.943094716511654
Energy: 0.47375935303188765
Energy: -4.449160180847405
Energy: 0.47375935303067523
Energy: -4.506946071524443
Energy: -3.573070864291704
Energy: 0.64333470580823
Energy: -3.785760344674837
Energy: 0.6433301178255975
Energy: -3.4790615505901425
Energy: 0.6433198204166706
Energy: 0.7122619783009694
Energy: 0.6003983329961182
Energy: 0.712261978300161
Energy: 0.6003983329940974
Energy: 0.7122619783017776
Energy: 0.6003983329953099
Energy: -3.7580550711180756
Energy: 0.5873665289432674
Energy: -3.972716319157443
Energy: 0.6219650105427945
Energy: -4.056512157409998
Energy: 0.5058770036142254
Energy: 0.4737178869218144
Energy: -4.240100762240676
Energy: 0.4737178869230268
Energy: -3.123835427270093
Energy: 0.4737178869238351
Energy: -2.8972191996791947
Energy: 0.5278998973166452
Energy: 0.5058980985829714
Energy: 0.527899897321054
Energy: 0.5058819494791389
Energy: 0.5278998972604684
Energy: 0.5059207773424537
Energy: -3.1457380445648555
Energy: 0.5572430907765238
Energy: -3.8136012464225084
Energy: 0.5572430907769279
Energy: -3.8220808033516596
Energy: 0.5572430907631869

minimum gb energy = -4.56664209128285 eV
minimum distance =  2.33742644335906 Angstroms
sigma value = 57


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

Energy: -1.2874911696695388
Energy: -1.371155311930234
Energy: 0.3800868489637461
Energy: -1.371573543878119
Energy: -1.2889480368953428
Energy: -1.3711508434667194
Energy: -2.929657493965963
Energy: -1.4835865375753572
Energy: -2.9750003672547365
Energy: -1.8132746246327291
Energy: -2.9351901287635904
Energy: -1.4836318361134448
Energy: -1.6943751196772836
Energy: -2.0164322731442526
Energy: -1.693914025550402
Energy: -1.736643229287937
Energy: -1.694064520663317
Energy: -2.0157086514554337
Energy: -1.6573652464505293
Energy: -1.4629095218234627
Energy: -1.6573637335445928
Energy: -1.4959277350216618
Energy: -1.657365249550436
Energy: -1.4627017812954428
Energy: -3.1646949508941464
Energy: -3.039120212108742
Energy: -3.234094615339034
Energy: -2.837467094757515
Energy: -3.2391799556067333
Energy: -3.0361640279749547
Energy: -1.42493561986306
Energy: -1.7007800756765965
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Energy: -1.773663750477696
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Energy: -2.1267083212897755
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Energy: -3.3241339052904677
Energy: -2.9677840950535646
Energy: -3.276559295298731
Energy: -1.5480498678576478
Energy: -1.6396302400135154
Energy: -1.5480397327257525
Energy: -1.384382939675502
Energy: -1.547965383339427
Energy: -1.639628172072925
Energy: -1.9269185917839344
Energy: -2.3842625860742395
Energy: -1.9276839531459726
Energy: -2.390229547178525
Energy: -1.927153689951911
Energy: -2.3849861641114076
Energy: -3.2488009120319354
Energy: -1.2825420078499268
Energy: -3.223285200674697
Energy: -1.283109198430377
Energy: -3.0388691232988805
Energy: -1.282553513112606
Energy: -1.288168364717022
Energy: -1.371702441034225
Energy: 0.3800868489628261
Energy: -1.3717073502357873
Energy: -1.2865634185470396
Energy: -1.371149419716986
Energy: -2.976228902796963
Energy: -1.483441638036159
Energy: -2.975822279943559
Energy: -1.813318335043099
Energy: -2.9795440506339035
Energy: -1.4713690493556042
Energy: -1.6938580472434521
Energy: -2.0145622375552117
Energy: -1.6940266959748702
Energy: -1.7365628966773763
Energy: -1.6941087517362128
Energy: -2.0153872810619933
Energy: -1.6573652674942165
Energy: -1.463071169522884
Energy: -1.6573650692664492
Energy: -1.495917129698402
Energy: -1.657364362323315
Energy: -1.4666204018535964
Energy: -3.2392550595686407
Energy: -2.992604150359926
Energy: -3.2331332320068116
Energy: -2.9924249556578264
Energy: -3.278591066783344
Energy: -3.0388346770671575
Energy: -1.424936197089089
Energy: -1.7054046898413648
Energy: -1.4249395149343114
Energy: -1.705020615274517
Energy: -1.4249379286053
Energy: -1.703253239703664
Energy: -1.7670805631356006
Energy: -1.6534278190188123
Energy: -1.7671323963673642
Energy: -1.6536397349920642
Energy: -1.768192152405379
Energy: -1.6534128967873671
Energy: -2.967672519886731
Energy: -2.12349934458284
Energy: -2.9668101247216225
Energy: -2.121646083643508
Energy: -2.966342053081038
Energy: -2.122730995854857

minimum gb energy = -3.3241339052904677 eV
minimum distance =  2.35224138873264 Angstroms
sigma value = 11


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

Energy: -2.600722383014899
Energy: -2.0845457876983926
Energy: -2.826849632437918
Energy: -2.099836362128298
Energy: -2.649441453675451
Energy: -2.0985156486339194
Energy: -2.972496037207885
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Energy: -2.626633729487214
Energy: -2.135905615465583
Energy: -2.6296597761629
Energy: -2.655607016941297
Energy: -2.006426833813627
Energy: -3.138588425724387
Energy: -2.297048817910459
Energy: -3.4030279195256137
Energy: -2.592253342715836
Energy: -3.4928634425750937
Energy: -2.6527608811914867
Energy: -3.717239424047493
Energy: -2.5384879681032837
Energy: -3.9133492578157885
Energy: -2.330433000395018
Energy: -2.892120244061733
Energy: -2.207022557131735
Energy: -2.6169047392617646
Energy: -2.141743020552643
Energy: -2.46223665127554
Energy: -2.117906817516864
Energy: -2.4621148662010772
Energy: -2.7587946564987518
Energy: -2.1418124449610976
Energy: -2.742376116137659
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minimum gb energy = -4.124641941072916 eV
minimum distance =  2.32809317484677 Angstroms
sigma value = 41


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

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minimum gb energy = -2.82722186936767 eV
minimum distance =  2.31641414526861 Angstroms
sigma value = 33


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

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Energy: -1.5792654124553411
Energy: -3.242639278875656

minimum gb energy = -4.179113997691825 eV
minimum distance =  2.33211720914092 Angstroms
sigma value = 67


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

Energy: -0.6932276806925112
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Energy: 0.5562323765648804
Energy: -1.1581799085355928
Energy: 0.5562323765651354

minimum gb energy = -1.3501319265162195 eV
minimum distance =  2.38376120074399 Angstroms
sigma value = 3


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

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minimum gb energy = -5.379419079959848 eV
minimum distance =  2.28186916364802 Angstroms
sigma value = 81


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

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Energy: -2.5827664939922452
Energy: -3.076679521234775

minimum gb energy = -3.7061157244333045 eV
minimum distance =  2.24767010664991 Angstroms
sigma value = 43


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

Energy: -1.4461608490070497
Energy: -0.9446576085726924
Energy: -1.3182409842229217
Energy: -0.9443417403463852
Energy: -1.944801707066902
Energy: -0.9440545479314529
Energy: -1.4566356483807483
Energy: -1.4007662590108316
Energy: -1.230691983786308
Energy: -1.41500969683334
Energy: -1.2956395208117693
Energy: -1.4150167479785423
Energy: -1.4275537925856503
Energy: -2.1544614462302523
Energy: -2.002176706793709
Energy: -1.1688759438990055
Energy: -2.027490874383276
Energy: -1.9832512643849651
Energy: -1.2039375567890724
Energy: -1.8358477586450488
Energy: -1.0307558587619052
Energy: -1.4722814300907412
Energy: -1.0375006428340763
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Energy: -2.252668136668619
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Energy: -2.3670289243569016
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Energy: -1.491008076738842
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Energy: -1.908382380993435
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Energy: -2.723128411033388
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Energy: -1.4281755460021743
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Energy: -1.469424554566352
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Energy: -1.4037392038832195
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Energy: -2.3441767782730083
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Energy: -1.7736828312083444
Energy: -1.2088009577055383
Energy: -1.9705025799209963
Energy: -1.2252463392346489
Energy: -1.2046899496554793
Energy: -1.2854231740702653
Energy: -1.152551835477362
Energy: -1.3793618417994349
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Energy: -1.344697561486845
Energy: -1.3711151173921858
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Energy: -1.7987666017269248
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Energy: -1.7315757722542398
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Energy: -2.065537100839923
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Energy: -1.458467328513535
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Energy: -2.49520160924371
Energy: -1.6551604809100742
Energy: -1.8966975336014238
Energy: -2.0633720243040865
Energy: -1.226945304313
Energy: -1.7175063531141792
Energy: -1.3568339814903416
Energy: -1.6734461258291755
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Energy: -1.6877777535780436
Energy: -2.018539851254657
Energy: -1.5846527598599998
Energy: -1.9069309167496173
Energy: -1.5852898312846415
Energy: -1.9165115922165648
Energy: -1.6318652238107318
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Energy: -0.9907953698533888
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Energy: -1.6278504175063444
Energy: -0.9902427815161389
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Energy: -1.7661602567010908
Energy: -1.7239877947659257
Energy: -1.1306071769798294
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Energy: -1.1432502088734149
Energy: -1.4878359355449833
Energy: -2.063058253741839
Energy: -1.4277430226740093
Energy: -1.9509527478878126
Energy: -1.9829933723726831
Energy: -1.9307495877455128
Energy: -1.3839487321354194
Energy: -1.0163238154344405
Energy: -1.8460568820453225
Energy: -1.1604725503461426
Energy: -1.7432009312957004
Energy: -0.9788972071656147
Energy: -1.5103508992888857
Energy: -1.820728373545838
Energy: -1.6652004634350122
Energy: -2.270671743261793
Energy: -1.5917853277221012
Energy: -1.7948159604999596
Energy: -1.993512072377515
Energy: -1.4799133626235876
Energy: -1.8490304220249427
Energy: -1.4882775147991565
Energy: -1.8161628126493872
Energy: -1.50073473793619
Energy: -0.9105624672185727
Energy: -1.3410389956046571
Energy: -1.9038984710678615
Energy: -1.474242519555166
Energy: -2.0825081709032154
Energy: -1.3682426900178095

minimum gb energy = -2.723128411033388 eV
minimum distance =  2.30132122827133 Angstroms
sigma value = 57


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

Energy: -2.9511896115367264
Energy: -1.0371450955820396
Energy: -2.7878926396777812
Energy: -1.0370752052713346
Energy: -2.6556411493659167
Energy: -1.0385097356275208
Energy: -1.8965327639390186
Energy: -2.0148780474412646
Energy: -2.038539908358105
Energy: -2.0130638084153953
Energy: -1.9168698381950262
Energy: -2.0141814098639346
Energy: -1.8589829117068217
Energy: -1.2932850537733942
Energy: -2.807790005487517
Energy: -1.4552055652096372
Energy: -2.1505939187700545
Energy: -2.320607458043527
Energy: -1.363866653016193
Energy: -1.0975455693237022
Energy: -1.8541826064466225
Energy: -1.0936854643272398
Energy: -1.4464892554251711
Energy: -1.7640154562014334
Energy: -1.244250892628453
Energy: -1.8096211468709147
Energy: -1.2154847052549234
Energy: -1.5322893163809386
Energy: -1.1944489158405749
Energy: -1.5799235744765203
Energy: -1.7310790420236306
Energy: -1.0399501971875464
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Energy: -1.4347619985463753
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Energy: -1.2304087773478434
Energy: -1.3007543882796884
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Energy: -1.356647110013326
Energy: -1.9844713788929003
Energy: -1.5834001154557404
Energy: -1.9467705418342178
Energy: -1.2820975484941142
Energy: -2.1088429295060265
Energy: -1.1845433747949474
Energy: -1.4544200703516057
Energy: -1.1634720891348558
Energy: -1.2534288104730666
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Energy: -1.994019558373329
Energy: -1.9818076276266596
Energy: -1.120131634829783
Energy: -2.7048413994277576
Energy: -1.1208230907308534
Energy: -3.3392097969494228
Energy: -1.1218899999509169
Energy: -1.2525708734990768
Energy: -1.3100313762276483
Energy: -1.1553369246394452
Energy: -1.3926464068610003
Energy: -1.8040386583184511
Energy: -1.2178775695926625
Energy: -1.2998403471236635
Energy: -2.004770287395596
Energy: -1.599161195350503
Energy: -1.992259678110656
Energy: -1.5677310966365319
Energy: -1.9898305399567293
Energy: -1.1876030430860192
Energy: -1.6789683531773396
Energy: -1.176805059714125
Energy: -1.160462634891899
Energy: -1.1757626042873055
Energy: -1.0599829461921726

minimum gb energy = -3.3392097969494228 eV
minimum distance =  2.34545729293277 Angstroms
sigma value = 17


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

Energy: -1.1172014401469144
Energy: -1.0302596931326196
Energy: -1.2075172882181668
Energy: -0.9997317641164347
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Energy: -1.3847797529731327
Energy: -1.8904178448079345
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Energy: -1.857393176736645
Energy: -1.5809276838164699
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Energy: -1.462658446033099
Energy: -1.1084956589972228
Energy: -1.4639075692779209
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Energy: -1.4631663079171255
Energy: -1.1217931223564526
Energy: -1.6269539137437719
Energy: -1.183190640308592
Energy: -2.177545165367013
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Energy: -1.1678524457689845
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Energy: -2.1632651230891127
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Energy: -1.34261700968682
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Energy: -1.3008534939564413
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Energy: -1.3225234742582685
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Energy: -1.4631907744251647
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Energy: -1.627552632956703
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Energy: -1.3219234346353343
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Energy: -1.3003104659352727
Energy: -1.2952121825303775
Energy: -1.341636001005755
Energy: -1.2427365509842283
Energy: -1.3181825306972856
Energy: -1.103502457096611
Energy: -1.2185485644372969
Energy: -1.0826252514459633
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Energy: -1.3701650812701045
Energy: -1.6015877374369356
Energy: -1.328071416398256
Energy: -1.1496047402309115
Energy: -1.2324573919828943

minimum gb energy = -2.177545165367013 eV
minimum distance =  2.37812867550394 Angstroms
sigma value = 17


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

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Energy: -1.6107792499497893
Energy: -1.8140485072560302
Energy: -1.584228952788426
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Energy: -2.032823645815853
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Energy: -2.14794162777208
Energy: -1.9894521651095527
Energy: -2.2266552022470303
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Energy: -1.8378093322639963
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Energy: -1.9648616639551006
Energy: -3.591791057470936
Energy: -1.6639044916806027
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Energy: -2.0439759927604433
Energy: -2.0743515486497004
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Energy: -2.7876282280549627
Energy: -2.0077145931116207
Energy: -2.5713465272103857
Energy: -2.490082449837128
Energy: -2.6833575505744776
Energy: -2.1733538616704573
Energy: -2.639661238664237
Energy: -1.5915833980166827
Energy: -1.9628756804358751
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Energy: -1.733773372151724
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Energy: -1.9667990868941516
Energy: -2.1734902319747516
Energy: -1.70676512218442
Energy: -2.174058266072096
Energy: -2.7955183416301783
Energy: -2.992903278930183
Energy: -2.63373617866276
Energy: -2.9928469531496926
Energy: -2.6317447363844897
Energy: -2.9929075796339166
Energy: -2.853146591560161
Energy: -2.476951343705479
Energy: -1.874107756843649
Energy: -2.2444968041493505
Energy: -2.0233139878962128
Energy: -2.7135613505548566
Energy: -1.665555949571132
Energy: -2.27016964689125
Energy: -1.7092594804529728
Energy: -2.2201795468837107
Energy: -1.7058056694719015
Energy: -2.2913736593680167

minimum gb energy = -3.863157994003699 eV
minimum distance =  2.25819312545888 Angstroms
sigma value = 57


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

Energy: -3.0781392077447913
Energy: -2.118732948234588
Energy: -2.933756639133692
Energy: -2.0856228008977293
Energy: -2.996125893223233
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Energy: -2.8752293758300658
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Energy: -2.683216529188647
Energy: -2.576526099208592
Energy: -2.534704948365644
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Energy: -2.2462221861669045
Energy: -2.50036798262331
Energy: -2.8106248276380406
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Energy: -2.9100972114491097
Energy: -2.603331804038674
Energy: -2.711224697863122
Energy: -2.6589408121157194
Energy: -3.122022815984836
Energy: -2.4412391410016965
Energy: -2.7937439391806134
Energy: -2.7470625547013694
Energy: -2.987750062136008
Energy: -2.6300176566133175
Energy: -2.7241434074598883
Energy: -2.70844475974374
Energy: -3.2519363003235053
Energy: -2.567258401528408
Energy: -2.577523494384243
Energy: -2.5901604251194437
Energy: -2.5040452611115898
Energy: -2.329896272693732
Energy: -2.178099385512081
Energy: -2.5721036475977193
Energy: -2.940531888993263
Energy: -2.4935018928514903
Energy: -3.5693492046047233
Energy: -2.7471488169810026
Energy: -2.973577574390553
Energy: -2.5585230855561716
Energy: -2.5391105975636625
Energy: -2.7327031008371563
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Energy: -2.6811582067698594
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Energy: -2.408961203354571
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Energy: -2.308939156033531
Energy: -3.1022007975955708
Energy: -2.977248990228134
Energy: -2.948214255445515
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Energy: -3.5463565711432365
Energy: -2.419068390599407
Energy: -2.8636643513762974
Energy: -2.483091116120567
Energy: -3.102552582217805
Energy: -2.4472541045434975
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Energy: -3.5025615617289985
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Energy: -2.642873955134971
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Energy: -2.8793220300415006
Energy: -2.812227297102202
Energy: -3.213853768915478
Energy: -2.9937390041310983
Energy: -2.554848559739421
Energy: -3.2005057130622876
Energy: -2.596527295121708
Energy: -3.0154373776237096
Energy: -2.707472984188294
Energy: -2.5490142827852993
Energy: -2.822627126135639
Energy: -2.5363660313223715
Energy: -2.8553417949062623
Energy: -2.178595600712545
Energy: -2.452768428093556
Energy: -2.8528310460221022
Energy: -2.4091450759098674
Energy: -2.662348750516014
Energy: -2.77826032379464
Energy: -2.911523585848012
Energy: -2.6404392641563588
Energy: -2.8524457022666057
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Energy: -3.1635226870502935
Energy: -2.534887618158595
Energy: -3.6110697138764283
Energy: -3.0574191934394213
Energy: -2.7234096918077726
Energy: -3.041313474264162
Energy: -2.866960822770175
Energy: -3.2272523620447906
Energy: -2.664536163717969
Energy: -2.8689059667596766
Energy: -2.342947003763965
Energy: -3.8499334758063597
Energy: -2.466260049269303
Energy: -2.8094123845856136
Energy: -2.272916324518755
Energy: -3.0032290881460066
Energy: -2.589975767788427
Energy: -2.8279824126827107
Energy: -2.6378412115080248
Energy: -2.9642659710952324
Energy: -3.1382773255034064
Energy: -3.4109528556956077
Energy: -2.9507185581189623
Energy: -3.5011203405574873
Energy: -2.8895425542495294
Energy: -2.7914035928671375
Energy: -2.72622026912251
Energy: -2.4293916408642127
Energy: -2.2371498072502924
Energy: -2.3133868833419884
Energy: -2.924769954623643
Energy: -2.3999289391957204
Energy: -2.5361917519804646
Energy: -2.412795433964216
Energy: -2.267178639855156
Energy: -2.682509170771058
Energy: -2.31213747382707
Energy: -2.623932842091286
Energy: -2.4072422219435063
Energy: -2.5043469292875313
Energy: -2.929750842157573
Energy: -2.799059913380842
Energy: -2.5493137178780887
Energy: -3.832026887938493

minimum gb energy = -3.8499334758063597 eV
minimum distance =  2.32316616428518 Angstroms
sigma value = 43


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

Energy: -1.530377273419405
Energy: -1.4107368944279761
Energy: -1.9309122927308207
Energy: -1.4130287523820786
Energy: -1.0852848830127038
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Energy: -2.1673725220284883
Energy: -1.5565864008997348
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Energy: -1.7504093147711814
Energy: -1.88558577460773
Energy: -1.5917775151867857
Energy: -1.4392439498705853
Energy: -1.5571425345937375
Energy: -1.9781162423104615
Energy: -3.029377461989824
Energy: -1.2428871508995878
Energy: -3.300067722836473
Energy: -2.119077106564958
Energy: -1.5410782819868494
Energy: -1.3736467864968371
Energy: -1.6133345960565626
Energy: -1.2591945924451358
Energy: -1.830764679395775
Energy: -1.5353252503510868
Energy: -1.792042003749467
Energy: -1.4836419942097439
Energy: -1.8239097364026249
Energy: -1.5547886744602217
Energy: -1.7595205431922551
Energy: -1.5503991508778325
Energy: -2.7236260689072394
Energy: -1.786699228992059
Energy: -2.1440702374311336
Energy: -1.365815021303535
Energy: -2.5823868593891603
Energy: -1.0227028716068045
Energy: -1.6361288132638134
Energy: -1.6455783000344206
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Energy: -1.9525685273392557
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Energy: -1.8069278571729255
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Energy: -3.074718801867077
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Energy: -1.758146408340917
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Energy: -1.96755710505286
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Energy: -2.657017795899681
Energy: -2.6730542578770065
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Energy: -1.5648387627896927
Energy: -2.4901508074492544
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Energy: -2.0261663813783093
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Energy: -1.6403114585834164
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Energy: -1.7682613985204725
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Energy: -2.1182131060540415
Energy: -2.2426316580645764
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Energy: -1.6588442388179137
Energy: -1.101469916928777
Energy: -2.083161060297536
Energy: -1.450485777242659
Energy: -1.6932309888901165
Energy: -1.4529934067350714
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Energy: -1.5079807240544991
Energy: -1.880265730792956
Energy: -1.3545259265378635
Energy: -2.1234240027013134
Energy: -1.5105586632127292
Energy: -2.4281644019695663
Energy: -1.6027389835335903
Energy: -1.5619558041162465
Energy: -1.8650750015491473
Energy: -1.6666904767090789
Energy: -1.8783384666643397
Energy: -2.7938900880103725
Energy: -1.3118322250820877
Energy: -1.5307970610066521
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Energy: -1.5515075684450494
Energy: -1.675788302798747
Energy: -1.4840714663280261
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Energy: -1.5731639948026233
Energy: -1.4176283177296714
Energy: -1.9363216271197825
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Energy: -1.6559179731447142
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Energy: -1.810967325883995
Energy: -1.333351765875055
Energy: -2.0210187427866217
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Energy: -2.3393809888337542
Energy: -1.376641550621128
Energy: -1.5858337877713684
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Energy: -3.0514414393728706
Energy: -1.6378990904527815
Energy: -3.3887358271760197
Energy: -1.742174336635615
Energy: -1.3452931463819975
Energy: -1.7457266109997267
Energy: -1.506989200936249
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Energy: -1.705539310172815
Energy: -2.0168744113270476
Energy: -1.487528655175302
Energy: -1.7423848085184777
Energy: -1.4342706723063354
Energy: -1.6937287606904963
Energy: -1.4883083011877825
Energy: -1.4914108946581413
Energy: -1.6265959165052655
Energy: -2.3620883167084754
Energy: -1.6484859078660927
Energy: -2.4075971448779283
Energy: -1.950544783616414
Energy: -1.7663942022388626
Energy: -1.7461085559831522
Energy: -1.9586078858393308
Energy: -1.8165983875248215
Energy: -1.6318413637518863
Energy: -1.780119314622904
Energy: -1.734769475440848
Energy: -1.4592088184369532
Energy: -1.9172780500326636
Energy: -1.4142547051713725
Energy: -1.8294692603342229
Energy: -1.4323747751270173

minimum gb energy = -3.3887358271760197 eV
minimum distance =  2.33404194014225 Angstroms
sigma value = 81


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

Energy: -0.017476246017545303
Energy: -0.08627653967714975
Energy: -0.017476246017545303
Energy: -0.08627653967714975
Energy: -0.017476246017545303
Energy: -0.08627653967714975
Energy: 0.6169369017467352
Energy: -0.0885352675079358
Energy: 0.6169369017467352
Energy: -0.0885352675079358
Energy: 0.6169369017467352
Energy: -0.0885352675079358
Energy: 0.6169493137293178
Energy: -0.08853103875749477
Energy: 0.6169493137293178
Energy: -0.08853103875749477
Energy: 0.6169493137293178
Energy: -0.08853103875749477
Energy: -0.017476246017545303
Energy: -0.08627653967714975
Energy: -0.017476246017545303
Energy: -0.08627653967891138
Energy: -0.017476246017545303
Energy: -0.08627653967714975
Energy: 0.6169369017467352
Energy: -0.0885352675079358
Energy: 0.6169369017467352
Energy: -0.0885352675079358
Energy: 0.6169369017467352
Energy: -0.0885352675079358
Energy: 0.6169493137293178
Energy: -0.08853103875749477
Energy: 0.6169493137293178
Energy: -0.08853103875749477
Energy: 0.6169493137293178
Energy: -0.08853103875749477
Energy: -0.017476246017545303
Energy: -0.08627653967714975
Energy: -0.017476246017545303
Energy: -0.08627653967714975
Energy: -0.017476246017545303
Energy: -0.08627653967714975
Energy: 0.6169369017467352
Energy: -0.0885352675079358
Energy: 0.6169369017467352
Energy: -0.0885352675079358
Energy: 0.6169369017467352
Energy: -0.0885352675079358
Energy: 0.6169493137293178
Energy: -0.08853103875749477
Energy: 0.6169493137293178
Energy: -0.08853103875749477
Energy: 0.6169493137293178
Energy: -0.08853103875749477
Energy: -0.017476246017545303
Energy: -0.08627653967714975
Energy: -0.017476246017545303
Energy: -0.08627653967714975
Energy: -0.017476246017545303
Energy: -0.08627653967714975

minimum gb energy = -0.0885352675079358 eV
minimum distance =  2.44849896546017 Angstroms
sigma value = 3


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

Energy: -2.9502374071623354
Energy: -0.1398104755942961
Energy: -3.0049595290361015
Energy: -0.13981047498674767
Energy: -3.0276658782051715
Energy: -0.1398104800854676
Energy: -0.07889430954726252
Energy: -2.9728482927212276
Energy: -2.5832442922796788
Energy: -3.2842622315942913
Energy: -2.664715014599139
Energy: -2.924206182047363
Energy: -2.8114413046452285
Energy: -3.456666674634797
Energy: -2.846947923658047
Energy: -2.907718117584718
Energy: -2.9042031006640356
Energy: -2.9081795534509367
Energy: -2.914330152988678
Energy: -2.7848409485319405
Energy: -2.826553577618822
Energy: -2.9822336578372934
Energy: -2.8297506878117975
Energy: -2.933252237754966
Energy: -0.05970257130386613
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Energy: -3.173660162999479
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Energy: -2.873220356141879
Energy: -2.875003756630737
Energy: -3.239501456963656

minimum gb energy = -3.643674144858034 eV
minimum distance =  2.38687908412905 Angstroms
sigma value = 67


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

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Energy: -4.265295083595624
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Energy: -3.5623595393154313
Energy: -4.588837711113291
Energy: -3.604747103817607
Energy: -4.591045248883728

minimum gb energy = -4.803496598411755 eV
minimum distance =  2.43099949024177 Angstroms
sigma value = 33


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

Energy: -2.4963688248148608
Energy: -2.3148802881622887
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Energy: -2.7850603615324507
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Energy: -3.1343340424368735
Energy: -2.8261602469671745
Energy: -2.858345570429106
Energy: -2.495608895043969

minimum gb energy = -3.9918294809110644 eV
minimum distance =  2.33965531804226 Angstroms
sigma value = 41


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

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Energy: -2.246107885111549
Energy: -1.7552519391784012
Energy: -2.3327615954513776
Energy: -2.0576723697322468
Energy: -3.013278823355535
Energy: -1.805264912305397
Energy: -3.310540422721717
Energy: -1.8933791048272273
Energy: -3.2627998081063168
Energy: -1.930028799046503
Energy: -2.483104353920007
Energy: -2.240519701169648
Energy: -2.5088770996060585
Energy: -2.2372572263312143
Energy: -2.4764737774185903
Energy: -2.3502320375661503
Energy: -2.8433348468589337
Energy: -2.0988242586792674
Energy: -2.765044142735679
Energy: -2.163143240509106
Energy: -2.563337379853197
Energy: -2.263659555591255
Energy: -2.2917910990174137
Energy: -2.089682042895066
Energy: -2.3710583878595903
Energy: -2.1003898612068324
Energy: -2.3489096319572766
Energy: -2.090945111437978
Energy: -2.0743561623378337
Energy: -2.4434563641139664
Energy: -1.9000294781603442
Energy: -2.203280117251109
Energy: -1.6566239793213484
Energy: -2.202277901567868

minimum gb energy = -3.420487909475237 eV
minimum distance =  2.35655151996685 Angstroms
sigma value = 11


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

Energy: 0.2579160571107845
Energy: -2.3106007155011543
Energy: -2.9483309292808317
Energy: -2.41596654716563
Energy: -1.9779676004367834
Energy: -2.444406383607744
Energy: -2.2666158900649513
Energy: -1.0989126153228426
Energy: -1.6817429972512687
Energy: -1.8475554665589418
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Energy: -1.5213004397871268
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Energy: -1.6479713138314538
Energy: -2.8186685276270644
Energy: -1.6724390430419356
Energy: -2.5627397344016685
Energy: 0.2726332801472369
Energy: -1.0726929138157977
Energy: 0.2726322458919713
Energy: -1.042050891073659
Energy: 0.2726299387351683
Energy: -2.408555425713556
Energy: -1.8541064448285112
Energy: 0.352789390341183
Energy: -2.1833936309247886
Energy: 0.35278937274343236
Energy: -1.114859216770319
Energy: 0.352789339569179
Energy: -1.9614352595780264
Energy: -1.8260993899054787
Energy: -2.74474838168252
Energy: -1.9547812507492432
Energy: -2.795831995961901
Energy: -1.8780351810565394
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Energy: -2.8433709351193075
Energy: -1.476704280283539
Energy: -2.648843344137849
Energy: -1.4501638462443431
Energy: -2.614740369503082
Energy: 0.3453257344583242
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Energy: 0.2531497138656235
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Energy: -1.3854753580128765
Energy: -2.4119761309628056
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Energy: -1.3468759499348741
Energy: -1.779362974137087
Energy: -1.7445346178555674
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Energy: 0.2848401808670355
Energy: -2.484729581962054
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Energy: -2.366327744492931
Energy: -1.5927528400884166
Energy: -2.67680074386275
Energy: -1.8797779265368066
Energy: -2.014276329664455
Energy: -2.144554805075429
Energy: -1.8205360226295697
Energy: -1.8824042161636805
Energy: -1.5028559147476108
Energy: -1.87266588743785
Energy: -2.2286220290748595
Energy: -1.6064664819565029
Energy: -2.0862866482000664
Energy: -1.4727974875575098
Energy: 0.2599084100373716
Energy: -2.02278588047448
Energy: 0.2598779539357904
Energy: -2.0226657159322428
Energy: 0.2579393753519102
Energy: -1.9387774976763292
Energy: -1.8752894030679
Energy: 0.37630927201411934
Energy: -2.4523045962147507
Energy: -1.9434665675961988
Energy: -2.1727398993932754
Energy: -2.2104478048990805
Energy: -1.9672176241485935
Energy: 0.2675818395996056
Energy: -2.6579989381061084
Energy: 0.2675805359844056
Energy: -2.0034020226950817
Energy: 0.26757745757202106
Energy: -1.9463473684749006
Energy: -1.0358776079027352
Energy: -2.3592859853581745
Energy: -1.6783527475295528
Energy: -2.104242385817263
Energy: -1.3741580581115553
Energy: 0.27627693026102207
Energy: -1.4455358456888128
Energy: 0.27627097049422084
Energy: -1.6382797583071718
Energy: 0.27626326060925105
Energy: -1.1480215374996146

minimum gb energy = -2.9483309292808317 eV
minimum distance =  2.33702372987994 Angstroms
sigma value = 57


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

Energy: 0.4442589129027356
Energy: 0.8571112264542727
Energy: 0.4442589129037527
Energy: 0.8571112264532555
Energy: 0.4442589129037527
Energy: 0.8571112264552898
Energy: 0.3388490398721529
Energy: 0.5978120305209933
Energy: 0.3388488536641202
Energy: 0.5978120289930045
Energy: 0.33884861069119293
Energy: 0.5978120261433567
Energy: 0.3151615858700232
Energy: 0.6600826265511636
Energy: 0.31517518372983383
Energy: 0.6600826265511636
Energy: 0.31521886135052546
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Energy: 0.3634794428563952
Energy: -1.5653746869751095
Energy: 0.3634794428563952
Energy: -0.6237126074517128
Energy: 0.36347944285741235
Energy: -1.2165072023774552
Energy: 0.31641666032154075
Energy: 0.6600218042875488
Energy: 0.31643292310098353
Energy: 0.6600218042885659
Energy: 0.31645831586684947
Energy: 0.6600218042865317
Energy: 0.3243385042220631
Energy: 0.5983728661476028
Energy: 0.32433878955617096
Energy: 0.598372723082521
Energy: 0.3243395711763058
Energy: 0.5983723780323009
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Energy: 0.8571112264552898
Energy: 0.4442589129057869
Energy: 0.8571112264542727
Energy: 0.4442589129047698
Energy: 0.8571112264532555
Energy: 0.3388490275159283
Energy: 0.5978120303959378
Energy: 0.33884889056492856
Energy: 0.5978120289187571
Energy: 0.33884859546909346
Energy: 0.5978120263558356
Energy: 0.3151556332568799
Energy: 0.6600826265511636
Energy: 0.3151715365325976
Energy: 0.6600826265501464
Energy: 0.3152149986844387
Energy: 0.6600826265491294
Energy: 0.3634794428584294
Energy: 1.0048090261450786
Energy: 0.3634794428584294
Energy: 1.0048090260983387
Energy: 0.36347944285741235
Energy: 1.004809026020023
Energy: 0.3164174193560485
Energy: 0.6600218042875488
Energy: 0.31643048490640036
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Energy: 0.31646138884581915
Energy: 0.6600218042885659
Energy: 0.3243384909814348
Energy: 0.5983728625100823
Energy: 0.3243388300914947
Energy: 0.5983727305100788
Energy: 0.3243394669579054
Energy: 0.5983723954360527
Energy: 0.4442589129027356
Energy: 0.8571112264552898
Energy: 0.4442589129047698
Energy: 0.8571112264542727
Energy: 0.4442589129037527
Energy: 0.8571112264552898
Energy: 0.3388490056430482
Energy: 0.5978120303288562
Energy: 0.33884886487454974
Energy: 0.5978120287703548
Energy: 0.33884862990462067
Energy: 0.5978120263812627
Energy: 0.3151612612703789
Energy: 0.6600826265501464
Energy: 0.3151765342776242
Energy: 0.6600826265501464
Energy: 0.3152192811082633
Energy: 0.6600826265511636
Energy: 0.36347944285741235
Energy: 1.0048090261440614
Energy: 0.36347944285741235
Energy: 1.0048090260993559
Energy: 0.36347944285741235
Energy: 1.0048090260169718
Energy: 0.3164166786382672
Energy: 0.6600218042875488
Energy: 0.3164300999226486
Energy: 0.6600218042865317
Energy: 0.31646057741078504
Energy: 0.6600218042875488

minimum gb energy = -1.5653746869751095 eV
minimum distance =  2.31308141745839 Angstroms
sigma value = 9


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

Energy: 0.40972508779274985
Energy: 0.6226165602783822
Energy: -1.0480140415532426
Energy: 0.6226161113306363
Energy: -1.040398409837923
Energy: 0.6226151009468751
Energy: -3.293313074549183
Energy: -2.452580999222573
Energy: -1.1045374675084971
Energy: -2.5164295012178117
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Energy: -3.2316029011411307
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Energy: 0.5226582285594554
Energy: -2.4908401835505596
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Energy: -3.431341218733497
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Energy: -2.866287855560075
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Energy: -3.2067061761199014
Energy: -3.5369495893176714
Energy: 0.457582797193707
Energy: -2.135011294875152
Energy: 0.4575812883031179
Energy: -1.9966089792599744
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Energy: -2.670306294881279
Energy: -1.4773057920001909
Energy: 0.45352663642727303
Energy: -1.4303915349969578
Energy: 0.4534745549114968
Energy: -1.328219882387818
Energy: -3.0145086867882407
Energy: -3.2262735279112174
Energy: -3.0488977700851345
Energy: -3.1596527135158072
Energy: -2.6986911932255144
Energy: -3.2441055255439735
Energy: -2.4088992038371235
Energy: -1.7435509323415066
Energy: 0.5457427209257326
Energy: -1.1497780792647438
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Energy: -2.7008080358381257
Energy: 0.36935715056869756
Energy: -2.7308265328410792
Energy: 0.3693570191836886
Energy: -2.73334521933196
Energy: 0.3693567069210243

minimum gb energy = -3.990045100240301 eV
minimum distance =  2.28772584365216 Angstroms
sigma value = 27


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

Energy: -2.75996435244961
Energy: -2.7053875970767645
Energy: -2.733481888315953
Energy: -3.116382443495798
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Energy: -2.717460642009273
Energy: 0.8326301842790458
Energy: -2.8225054855723575
Energy: 0.8326301842783459
Energy: -1.604930860360428
Energy: -2.9951543644443936
Energy: -1.8122514149929705
Energy: -3.3529648836216674
Energy: -1.9704928053480637
Energy: -2.801719348126079

minimum gb energy = -3.534119753356023 eV
minimum distance =  2.33815957432496 Angstroms
sigma value = 19


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

Energy: -1.3140029902745416
Energy: -0.8425713287222407
Energy: -1.96059049971992
Energy: -0.528301292978941
Energy: -1.671575900308169
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Energy: -1.9911226694330668
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Energy: 0.49967951713862907
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Energy: 0.49967951762542673
Energy: -0.7004409507918666
Energy: 0.521672807523197
Energy: -1.2490979462525205
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Energy: -1.2398346678568626
Energy: 0.5216726831285956
Energy: -0.9184936789794986
Energy: -0.8449426847480228
Energy: 0.44907868341520507
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Energy: 0.44907747644002344
Energy: -0.8110649053082521
Energy: 0.449075382884564
Energy: 0.4284421077894678
Energy: -1.564852046398062
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Energy: -0.9097658611118131
Energy: 0.4284421077212162
Energy: -0.8839801471047344
Energy: 0.4124943413305214
Energy: -1.709238564143004
Energy: 0.4124942275211325
Energy: -0.9404101549290086
Energy: 0.4124940257921685
Energy: -1.080120655147095
Energy: -1.0273571519906495
Energy: 0.49665245943007036
Energy: -1.195677801710772
Energy: 0.49665228509122034
Energy: -1.7987315006227786
Energy: 0.4966519580151805
Energy: 0.5335405643676852
Energy: -0.7739106635878232
Energy: 0.533540084545996
Energy: -0.7126113203823929
Energy: 0.5335392426662628
Energy: -0.9855232127468841
Energy: 0.5451173297346179
Energy: -0.7920115203784401
Energy: 0.545117329697155
Energy: -0.8647323783788323
Energy: 0.5451173295757576
Energy: -0.7959245271510837
Energy: -2.0567538871265536
Energy: 0.3777952933856303
Energy: -0.48509647048705207
Energy: 0.3880622502546511
Energy: -1.2229055413671421
Energy: 0.39639928213313597
Energy: -1.2032228832237715
Energy: -0.4563894151389089
Energy: -1.0726956459201515
Energy: -1.686299984720628
Energy: -1.5208604172949882
Energy: -1.9099807592666798

minimum gb energy = -2.0567538871265536 eV
minimum distance =  2.32667254851628 Angstroms
sigma value = 101


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

Energy: 0.40759454874148066
Energy: -2.2347096507274884
Energy: 0.4075945485184914
Energy: -2.189443019776451
Energy: 0.4075945479025913
Energy: -2.254779871674172
Energy: 0.3488232565192613
Energy: 0.37148412347879073
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Energy: 0.797492601148455
Energy: 0.3126609991134023
Energy: 0.3510862998820309
Energy: 0.7758571492207584
Energy: 0.34175008217874575
Energy: 0.7758571491421955
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Energy: 0.31253791300873235
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Energy: -2.518158682576232
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Energy: -0.9329891701197556
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Energy: 0.3517391432358318
Energy: 0.9505194333165897
Energy: 0.3510869894614882
Energy: 0.9505194333160587
Energy: 0.3555642265451489
Energy: 0.9505194333149963
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Energy: 0.4158046604219767
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Energy: -1.3605204382190144
Energy: 0.4335024346880638
Energy: -0.5796981462289171
Energy: -1.8425352179459493
Energy: 0.3323356905454379
Energy: -0.6288632107992901
Energy: 0.33233569054384443
Energy: -1.425784786510396
Energy: 0.33233569053959516
Energy: -1.870881911806135
Energy: -0.6378628726960097
Energy: -0.8107372449540103
Energy: -0.6932012012846545
Energy: -0.8190438473506586
Energy: -1.1104563423000964
Energy: 0.3620545858990054
Energy: -1.8998622007827872
Energy: 0.36205458057334006
Energy: -1.6657836732583469
Energy: 0.3620545655573028
Energy: -1.0308516163493338
Energy: 0.9491113564422646
Energy: 0.3323450681527533
Energy: 0.949111356439609
Energy: 0.33234506815328446
Energy: 0.9491113564406712
Energy: 0.3323450681490352
Energy: 0.35532984977197546
Energy: -1.3055443352973195
Energy: 0.3553299321193495
Energy: -1.4393215448703556
Energy: 0.35533011676670395
Energy: -1.439745503129478
Energy: 0.47071272064182285
Energy: -2.512495807778212
Energy: 0.47071272057861524
Energy: -2.4076121212427117
Energy: 0.4707127204814619
Energy: -2.7294148867411354
Energy: -2.188754519071285
Energy: 0.24361885167188635
Energy: -1.7630426029277
Energy: 0.24361885128003766
Energy: -2.407087068540212
Energy: 0.24361885059146562
Energy: -1.411527818239363
Energy: 0.31144169080676687
Energy: -0.9203651522193406
Energy: 0.311441635431716
Energy: -0.7171088757629646
Energy: 0.3114421569971313

minimum gb energy = -2.787910054966108 eV
minimum distance =  2.28894855948293 Angstroms
sigma value = 33


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

Energy: 0.018227904200171584
Energy: 0.6089659272671454
Energy: 0.018227904200171584
Energy: 0.6089659272675866
Energy: 0.018227904199730263
Energy: 0.6089659272671454
Energy: 0.018819645582224515
Energy: -3.3580023395595853
Energy: 0.018819645582224515
Energy: -3.3580023395595853
Energy: 0.018819645582224515
Energy: -3.3580023395595853
Energy: -0.04713538572118429
Energy: -3.358164044781297
Energy: -0.04985155026290806
Energy: -3.358164044780855
Energy: -0.05160145349873639
Energy: -3.358164044780855
Energy: 0.018819645582665835
Energy: -3.3580023395595853
Energy: 0.018819645582224515
Energy: -3.3580023395595853
Energy: 0.018819645582224515
Energy: -3.3580023395595853

minimum gb energy = -3.358164044781297 eV
minimum distance =  2.47447303381074 Angstroms
sigma value = 1