Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658364850282671
cohesive_energy=4.002359338939786
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: 0.015087066112426233
Energy: 1.0653685972772555
Energy: 0.015087066112426233
Energy: 1.0653685972772555
Energy: 0.015087066112120014
Energy: 1.065368597277562
Energy: 1.0653685972772555
Energy: 0.015550820069556135
Energy: 1.065368597277562
Energy: 0.015550820100994463
Energy: 1.0653685972772555
Energy: 0.01555082015546715
Energy: 0.015087066112426233
Energy: 1.0653685972772555
Energy: 0.015087066112426233
Energy: 1.0653685972772555
Energy: 0.015087066112120014
Energy: 1.0653685972772555
Energy: 1.065368597277562
Energy: 0.015550820150363525
Energy: 1.065368597277562
Energy: 0.015550820133929855
Energy: 1.0653685972772555
Energy: 0.015550820151860587
Energy: 0.015087066112426233
Energy: 1.0653685972772555
Energy: 0.015087066112426233
Energy: 1.065368597277562
Energy: 0.015087066112120014
Energy: 1.0653685972772555
Energy: 1.0653685972772555
Energy: 0.015550820139305673
Energy: 1.065368597277562
Energy: 0.015550820157270433
Energy: 1.065368597277562
Energy: 0.01555082007285648

minimum gb energy = 0.015087066112120014 eV
minimum distance =  2.58175210803673 Angstroms
sigma value = 1


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

Energy: 0.6959275136201915
Energy: -2.6776387942854583
Energy: 0.69592751362314
Energy: -2.974762179698961
Energy: 0.6959275136216656
Energy: -2.8445030953345123
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Energy: -2.8374448472215663
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Energy: -2.64126506903104
Energy: -2.57499192017992
Energy: -2.584467742598645
Energy: 0.4558549400941759
Energy: -2.661902467923575
Energy: 0.4558548846385679
Energy: -2.593977219804035
Energy: 0.4558548672137884
Energy: -2.822669488935293
Energy: -2.4296511785042414
Energy: -2.7448146282519335
Energy: -2.2997831210408104
Energy: -2.810816161396289
Energy: -2.3307389994672487
Energy: -3.4661948809383896
Energy: -2.7520171884486984
Energy: -2.7546373953513332
Energy: -2.5014666967423227
Energy: -2.3516465836473768
Energy: -2.4852548142307027
Energy: 0.377055999955396
Energy: -2.2806333046229232
Energy: -2.775593270464572
Energy: -2.2141495850869446
Energy: -2.4482087078135186
Energy: -2.1742847172902993
Energy: -3.482478489549496
Energy: -2.455990861839151
Energy: -2.422052276265724
Energy: -2.6377511521556327
Energy: -2.411872313979673
Energy: -2.5571741801848837
Energy: 0.1070818076962984
Energy: -2.758041836542328
Energy: 0.1070818076948242
Energy: -2.7554146531765804
Energy: 0.1070818076970355
Energy: -2.692064703235149

minimum gb energy = -5.441693333707256 eV
minimum distance =  2.33959356369295 Angstroms
sigma value = 33


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

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Energy: -2.45637937439141
Energy: -3.3026203308492184
Energy: -2.0631757125651817
Energy: -2.841939765686094
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Energy: 0.38519230778257507
Energy: -3.647356465154983
Energy: -2.92251645659935
Energy: -3.307387987241791
Energy: -3.0161897233845893
Energy: -3.757836662664534
Energy: -3.395750690333795
Energy: 0.3250761979136559
Energy: -2.2747964250017176
Energy: -2.074036294288957
Energy: -2.068354227702478
Energy: -1.8801301789979468
Energy: -2.3165775034101106
Energy: 0.5834861137705835
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Energy: 0.5834861134763761
Energy: -2.4049951011603654
Energy: 0.5834861135124326
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Energy: -1.9881387931441434
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Energy: -1.7622842206908906
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Energy: -2.0469019020334667
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Energy: -1.9607880543351126
Energy: 0.375709240077622
Energy: -1.9399043352358563
Energy: 0.3757092400780413
Energy: -2.003459041926419

minimum gb energy = -4.328677653119982 eV
minimum distance =  2.30447834956008 Angstroms
sigma value = 51


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

Energy: 0.640935779001199
Energy: 0.5893092474353604
Energy: 0.6409357789934277
Energy: -1.5284687835901614
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Energy: -1.920365404354739
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Energy: -1.6921270374391404
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Energy: 0.5634615993762663
Energy: -1.6058126980489356
Energy: 0.5634603295969327
Energy: -1.6127032599227793
Energy: 0.5634568436525498

minimum gb energy = -2.0244522662156603 eV
minimum distance =  2.34384719616309 Angstroms
sigma value = 19


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

Energy: 0.4513137077327768
Energy: 0.1540382911150104
Energy: 0.4513137077322006
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Energy: 0.14897350425859643
Energy: 0.4627482634341528
Energy: 0.14897350427703548
Energy: 0.13952053104576845
Energy: -1.443458639188984
Energy: 0.1407128672381314
Energy: -1.4495908695243296
Energy: 0.14081081495505046
Energy: -1.5386803251391594
Energy: 0.7976231706771091
Energy: 0.6821506172147195
Energy: 0.7976231548288876
Energy: 0.6821506138937022
Energy: 0.797623107724822
Energy: 0.68215060037815
Energy: 0.4513137077322006
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Energy: 0.7969250995792468
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Energy: -1.4167705470467
Energy: 0.14728459334367552
Energy: -1.4473925991234007
Energy: 0.14728468015183355
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Energy: 0.46273983973252353
Energy: 0.150351557662978
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Energy: 0.15035155763186214
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Energy: 0.46274826343703396
Energy: 0.1489735042781879
Energy: 0.14002521712348434
Energy: -1.3184128668898618
Energy: 0.14081269990811754
Energy: -1.7204918749378824
Energy: 0.1407387525038932
Energy: -1.3772991446566447
Energy: 0.7976231871226086
Energy: 0.6821506226069068
Energy: 0.7976231842306918
Energy: 0.6821506173155055
Energy: 0.7976231001393582
Energy: 0.6821506122228479
Energy: 0.4513137077327768
Energy: 0.15403829112538237
Energy: 0.4513137077322006
Energy: 0.1540382911294159
Energy: 0.4513137077327768
Energy: 0.1540382911201964
Energy: 0.7969258741098479
Energy: -1.3737707508463586
Energy: 0.7969271352523223
Energy: -1.4187164714243714
Energy: 0.7969260470286499
Energy: -1.3277448261375715
Energy: 0.14728488551357108
Energy: -1.5029739571640912
Energy: 0.14728664601170235
Energy: -1.327700980140313
Energy: 0.14728680437822747
Energy: -1.445151152116451

minimum gb energy = -1.7204918749378824 eV
minimum distance =  2.30535221644029 Angstroms
sigma value = 27


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

Energy: 0.3418617554344187
Energy: 0.09339048762553646
Energy: 0.3418617554372416
Energy: 0.09339048762130213
Energy: 0.3418617554372416
Energy: 0.09339048762271358
Energy: -1.7264998833270562
Energy: -0.0836817873407148
Energy: -1.2566764093424496
Energy: -0.0784912949191256
Energy: -1.2521756996498157
Energy: -0.08428847278970031
Energy: -0.0075986940433811516
Energy: 0.4673850944021093
Energy: -0.0075986940476154875
Energy: 0.4673850944049323
Energy: -0.007598694046204041
Energy: 0.4673850944063437
Energy: -0.7093697153987277
Energy: 0.09614874802840803
Energy: -0.698620291209765
Energy: 0.09614874802840803
Energy: -0.6187092623949639
Energy: 0.09614874802840803
Energy: 0.05592492489478534
Energy: 0.0931673508355121
Energy: 0.05493129325180818
Energy: 0.0931673508355121
Energy: 0.05807861518279095
Energy: 0.09316735083268922
Energy: -0.6863199159387482
Energy: -1.8966141002921229
Energy: -0.5906478214590888
Energy: -1.6243887640817662
Energy: -0.7303454087118034
Energy: -1.837197310392423
Energy: 0.0871749742335433
Energy: -0.0856441517016383
Energy: 0.0871749742307204
Energy: -0.09048032982487843
Energy: 0.0871749742335433
Energy: -0.09032250949756858
Energy: 0.2953275144497564
Energy: 0.09101960388687391
Energy: 0.29532751446666167
Energy: 0.09101960388687391
Energy: 0.2953275144638388
Energy: 0.09101960388687391
Energy: 0.19357288160120134
Energy: -0.007115518594050295
Energy: 0.12114627224974488
Energy: -0.0071155186265135255
Energy: 0.12108239767414983
Energy: -0.007115518602518964
Energy: 0.1293282810064767
Energy: -1.406736665533077
Energy: 0.1293282810064767
Energy: -1.2575874745498308
Energy: 0.12932828100788815
Energy: -1.568988454758794
Energy: 0.09414127890386742
Energy: 0.09585921303933811
Energy: 0.09414127890386742
Energy: 0.09585921304074957
Energy: 0.09414127890386742
Energy: 0.09585921303933811
Energy: -0.5117803842756317
Energy: -0.6914769401796659
Energy: -0.6952924906285609
Energy: -0.6914030719512283
Energy: -0.7544374383466737
Energy: -0.7058189200784757

minimum gb energy = -1.8966141002921229 eV
minimum distance =  2.33423707962119 Angstroms
sigma value = 9


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

Energy: 0.28435120040599854
Energy: -5.427759253835544
Energy: 0.28435129720111
Energy: -4.65003227779469
Energy: 0.284351683222167
Energy: -4.106199530184955
Energy: -4.9941126637236595
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Energy: -5.269650118271508
Energy: -3.194663991375765
Energy: -5.060891633738172
Energy: -3.9373717910746064
Energy: -0.13529166604251036
Energy: -2.612314812577242
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Energy: -2.743338521514549
Energy: -0.13529169448062986
Energy: -2.8331437766219074
Energy: -6.394229463114333
Energy: 0.07919536468379323
Energy: -5.63783800704756
Energy: 0.07919536468379323
Energy: -5.842720037652448
Energy: 0.07919536468300006
Energy: -6.072177681354073
Energy: -5.771860518416281
Energy: -4.014987768718165
Energy: -6.409748541186587
Energy: -5.054792925741911
Energy: -5.4856934900231185
Energy: -5.44884916918611
Energy: -3.249904045875973
Energy: -5.087994825274928
Energy: -5.306734472449247
Energy: -4.681347503653655
Energy: -2.7630448649461576
Energy: -5.508293076783634
Energy: -3.122646057716191
Energy: -4.55970095813386
Energy: -6.119227589666503
Energy: -5.78462937949611
Energy: -5.496895387156151
Energy: -0.039116526640648665
Energy: -5.385930066406788
Energy: -0.03911652665690851
Energy: -6.30512899061809
Energy: -0.03911652664739055
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Energy: -5.79273382651146
Energy: -2.699580536715424
Energy: -5.1681504741167315
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Energy: -2.729635938343126
Energy: -2.8671187229435993
Energy: -3.2499667703745647
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Energy: -4.579665325925251
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Energy: -5.872054335569782
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Energy: -5.903017699005267
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Energy: -2.9937430177374877
Energy: -0.045373678427372596
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Energy: -3.1015957571830324
Energy: -5.164460945894666
Energy: -5.728089981556851
Energy: -4.323980730745525
Energy: -4.601812338390375
Energy: -4.270202250290738
Energy: -5.8611379919905415
Energy: -2.7268182289871485
Energy: -5.9268576355291716
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Energy: -6.037168932671301
Energy: -6.577588702164934
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Energy: 0.061782744366862895
Energy: -5.859125283700573
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Energy: -6.089464160452506
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Energy: -3.389359045482671
Energy: -0.1352284968545422
Energy: -2.7457274844175417
Energy: -6.098582539057683
Energy: -3.0821766074345835
Energy: -6.45050209177257
Energy: -2.462039720756671
Energy: -6.032100153774297
Energy: -2.554743257464708
Energy: 0.2843524289817274
Energy: -4.389391201916312
Energy: 0.28435264516470726
Energy: -5.212040895326704
Energy: 0.2843535314088786
Energy: -5.897022522728368
Energy: -5.627056698576994
Energy: 0.20926666357865303
Energy: -4.939830350711441
Energy: 0.2092666635762735
Energy: -3.7297937000687247
Energy: 0.20926666357984278
Energy: -0.1352917179216752
Energy: -3.233012991964919
Energy: -0.13529173292169452
Energy: -2.4814196069897694
Energy: -0.13529170962294992
Energy: -3.341248230488996
Energy: -6.110762566302935
Energy: 0.07919536468181032
Energy: -6.065529723024311
Energy: 0.0791953646822069
Energy: -5.77409605756514
Energy: 0.07919536468260348
Energy: -5.3118217382631885
Energy: -5.211196293388364
Energy: -5.196427137052636
Energy: -6.223355002467316
Energy: -4.670999538515038
Energy: -5.207818143833478

minimum gb energy = -6.577588702164934 eV
minimum distance =  2.22484845826026 Angstroms
sigma value = 57


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

Energy: 0.3731828459688748
Energy: 0.10019900934596866
Energy: 0.373182845967972
Energy: 0.10019900958688331
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Energy: 0.10019900951199501
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Energy: -0.6812344462272955
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Energy: -0.6323491253337051
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Energy: 0.231565494792308
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Energy: 0.07168974582310138
Energy: 0.0397625551980832
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Energy: 0.07296566120346003
Energy: 0.03976255462326932
Energy: 0.409053750874407
Energy: 0.4063943774910759
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Energy: 0.4090537508753097
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Energy: 0.03571905267077189
Energy: 0.252217453179099
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Energy: 0.4090065596156067
Energy: 0.4069520410268858
Energy: 0.4090065596156067
Energy: 0.4069520410268858
Energy: 0.4090065596156067
Energy: 0.4069520410268858
Energy: 0.12263057076530645
Energy: 0.04096561444668788
Energy: 0.12256456016509204
Energy: 0.040965582682598874
Energy: 0.12285663578713789
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Energy: 0.23068227972219676
Energy: 0.23739020826069326
Energy: 0.2306809201256774
Energy: 0.2373902082444435
Energy: 0.2306805160189993
Energy: 0.23739020824986007
Energy: 0.40860225612364476
Energy: -0.7276827305944403
Energy: 0.4086022561227419
Energy: -0.6316005407538198
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Energy: -0.6327778119642288
Energy: 0.3731828459688748
Energy: 0.10019900965635503
Energy: 0.373182845967972
Energy: 0.10019900953185579
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Energy: 0.10019900955980042
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Energy: -0.6322275329211012
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Energy: -0.6323244004804338
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Energy: -0.6322244036153016
Energy: 0.23156567508427583
Energy: 0.236108450057373
Energy: 0.23156788297350925
Energy: 0.23610844998248467
Energy: 0.2315671478721872
Energy: 0.23610845017920498
Energy: 0.12248222783235535
Energy: 0.03976255506000148
Energy: 0.07172404393452426
Energy: 0.03976255492015527
Energy: 0.12250842146703433
Energy: 0.039762555104236874
Energy: 0.4090537508762125
Energy: 0.4063943774910759
Energy: 0.4090537508762125
Energy: 0.4063943774910759
Energy: 0.409053750874407
Energy: 0.4063943774910759
Energy: 0.035719052663549786
Energy: 0.25221755103664945
Energy: 0.03571905264910558
Energy: 0.2522176348354291
Energy: 0.03571905266625808
Energy: 0.2522175099493976
Energy: 0.03571253002792535
Energy: 0.25260532851663897
Energy: 0.03571613486693762
Energy: 0.2526058830011216
Energy: 0.03572164216001968
Energy: 0.25260535968330394
Energy: 0.4090065596156067
Energy: 0.4069520410268858
Energy: 0.4090065596156067
Energy: 0.4069520410268858
Energy: 0.4090065596156067
Energy: 0.4069520410268858

minimum gb energy = -0.7276827305944403 eV
minimum distance =  2.47406944862163 Angstroms
sigma value = 11


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

Energy: -3.276039035426223
Energy: 0.16384710770911604
Energy: -3.405414893446994
Energy: 0.16384710129284108
Energy: -3.206340943440886
Energy: 0.16384712439603594
Energy: -3.7168113379288092
Energy: -2.983666963087385
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minimum gb energy = -4.334325327118986 eV
minimum distance =  2.26048928793542 Angstroms
sigma value = 41


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

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minimum gb energy = -3.131432077203236 eV
minimum distance =  2.3273155745268 Angstroms
sigma value = 33


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

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Energy: -0.00695718176293968

minimum gb energy = -6.469645925862345 eV
minimum distance =  2.39425732786638 Angstroms
sigma value = 67


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

Energy: -0.02254385874201519
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Energy: 0.33527910769079494

minimum gb energy = -0.5483892196571046 eV
minimum distance =  2.41799754642375 Angstroms
sigma value = 3


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

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minimum gb energy = -6.022090833587283 eV
minimum distance =  2.39251192911788 Angstroms
sigma value = 81


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

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Energy: -1.2046678424207886
Energy: -0.628473152017358
Energy: -0.9843956966329058
Energy: -0.6353277048122714
Energy: -1.1326137225066628
Energy: -0.6353277048113581
Energy: -1.132613722545889
Energy: -0.6353277048140977
Energy: -1.1326137224605461
Energy: -1.1205661162798317
Energy: -0.24711727768069375
Energy: -1.1199842387568606
Energy: -0.24711719228005474
Energy: -1.1217003693937744
Energy: -0.24711729703190013
Energy: -1.4938495134609266
Energy: -0.7670740751790949
Energy: -1.495036131387176
Energy: -0.7661481055755031
Energy: -1.496981136517022
Energy: -0.7686064562362686
Energy: -0.5670756833286299
Energy: -0.728304852753965
Energy: -0.5670756831885367
Energy: -0.7283048527621837
Energy: -0.5670756833647013
Energy: -0.7283048527594441
Energy: -0.8268839609460338
Energy: -0.6085792469633737
Energy: -0.826883960946947
Energy: -0.608582309218029
Energy: -0.8268839609460338
Energy: -0.6085824913616248

minimum gb energy = -4.131405816770516 eV
minimum distance =  2.37758627492281 Angstroms
sigma value = 43


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

Energy: -0.23153166507397882
Energy: -0.5606075503468904
Energy: -0.23153166507397882
Energy: -0.5606075503468904
Energy: -0.23153166507453965
Energy: -0.5606075503463296
Energy: -0.4606168871669496
Energy: -0.5847039359925155
Energy: -0.4606168871669496
Energy: -0.5847039359925155
Energy: -0.4606168871663888
Energy: -0.584703935993637
Energy: -0.7695871368129104
Energy: -0.21147538541481284
Energy: -0.7695871246512074
Energy: -0.21147505007484996
Energy: -0.7695871094796449
Energy: -0.21147499920301344
Energy: -0.5660740005720062
Energy: -0.7491102764798593
Energy: -0.5660740163563239
Energy: -0.7469303555826228
Energy: -0.5660740121192966
Energy: -0.7469710218042831
Energy: -0.5534283622191879
Energy: -0.8433746551190849
Energy: -0.5534283622163836
Energy: -0.8369868698936067
Energy: -0.5534283622197487
Energy: -1.1518891705059044
Energy: -0.6483390973072694
Energy: -0.4297137173360546
Energy: -0.6678530378159516
Energy: -0.4297137173360546
Energy: -0.6669504378666087
Energy: -0.42971371733773717
Energy: -0.4953790760628126
Energy: -0.22523875332074372
Energy: -0.4953790760897335
Energy: -0.22523875331906118
Energy: -0.49537907604093945
Energy: -0.2252387533162569
Energy: -0.4391214688929168
Energy: -0.7185760220442516
Energy: -0.43912146889572107
Energy: -0.7236602438875921
Energy: -0.4391214688867474
Energy: -0.7262246420052594
Energy: -2.4189332967190706
Energy: -0.7559098211152075
Energy: -2.7535468644618994
Energy: -0.7559098211152075
Energy: -2.715059389052011
Energy: -0.7559098211157684
Energy: -0.8858414959600646
Energy: -0.3575641152852103
Energy: -0.885841452586835
Energy: -0.35755072087568546
Energy: -0.8858406676634675
Energy: -0.3575323553535108
Energy: -0.464595536341148
Energy: -0.7659320831546912
Energy: -0.4645952884596192
Energy: -0.6683262435772374
Energy: -0.4645895356875011
Energy: -0.7671450281451421
Energy: -0.43206528234319747
Energy: -2.912085223116436
Energy: -0.4320652823443192
Energy: -2.5484901027048417
Energy: -0.4320652823426367
Energy: -2.7137022381847804
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Energy: -0.4488883356539756
Energy: -2.7119925508840823
Energy: -0.44888833565341474
Energy: -2.112630254408159
Energy: -0.44888833565453645
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Energy: -1.1785062408910845
Energy: -0.5194117890114344
Energy: -2.926354738851209
Energy: -0.5194117890063867
Energy: -2.930027447882431
Energy: -0.5540495340611264
Energy: -0.5911786025373534
Energy: -0.5532137881083975
Energy: -0.5911786025524964
Energy: -0.5555302592899819
Energy: -0.5911786025530573
Energy: -0.35019636830361467
Energy: -0.4752981427863203
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Energy: -0.3885300126197333
Energy: -0.46219994775838275
Energy: -0.38851191172931854
Energy: -0.4621999477578219
Energy: -0.3884295747887438
Energy: -0.4621999477572611
Energy: -0.5719301907016632
Energy: -0.585177138661522
Energy: -0.5753253686981484
Energy: -0.5851771386620829
Energy: -0.5838693821050054
Energy: -0.5851771386626438
Energy: -0.49639783619570155
Energy: -0.6909517678924745
Energy: -0.4963978363123076
Energy: -0.6909517390803208
Energy: -0.4963978363829239
Energy: -0.6909517365105001
Energy: -0.3322082460771732
Energy: -1.0349332096824484
Energy: -0.3322079867571337
Energy: -1.0315658209917467
Energy: -0.3322061443657916
Energy: -1.0315006525119883
Energy: -0.7586548539624418
Energy: -0.38227641283675806
Energy: -0.7586548539635635
Energy: -0.3822764128350755
Energy: -0.7586548539624418
Energy: -0.3822764128373189
Energy: -2.316097006491543
Energy: -0.45432392092818585
Energy: -0.8460198856474586
Energy: -0.45432392092874674
Energy: -1.1319062350731535
Energy: -0.45432392092706414
Energy: -0.39086287853458124
Energy: -0.5572755407834261
Energy: -0.39086287853514207
Energy: -0.557275540783987
Energy: -0.3908628785323378
Energy: -0.5572755407851088
Energy: -0.3563864095736037
Energy: -0.7284815281728617
Energy: -0.3568956830813139
Energy: -0.7284815281700573
Energy: -0.35610709671104956
Energy: -0.7284815281694965
Energy: -0.8993522042756233
Energy: -0.5546270909157038
Energy: -0.9407162757239301
Energy: -0.5546270909252383
Energy: -0.9403768879370743
Energy: -0.5546270909420384
Energy: -2.2452639731502777
Energy: -0.7579350785235289
Energy: -2.876199006948406
Energy: -0.7579350785246507
Energy: -2.8568695487424742
Energy: -0.7579350785296982
Energy: -0.4047770475597129
Energy: -0.7816235562151894
Energy: -0.4047770475597129
Energy: -0.7419514431126237
Energy: -0.4047770475597129
Energy: -0.7630938579558618
Energy: -0.39346718396363917
Energy: -0.4984932648311457
Energy: -0.3934671839585916
Energy: -0.4984932648345108
Energy: -0.39346718396363917
Energy: -0.49849326484292356
Energy: -0.6604736961554543
Energy: -0.42938982529117375
Energy: -0.6468266368272552
Energy: -0.42938982529227
Energy: -0.6606790997369414
Energy: -0.42938982529227

minimum gb energy = -2.930027447882431 eV
minimum distance =  2.39556684793293 Angstroms
sigma value = 57


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

Energy: -0.7484206310456604
Energy: -1.2304329193366592
Energy: -0.7478632696350663
Energy: -1.230420815168681
Energy: -0.747598442025336
Energy: -1.2308354457058448
Energy: -0.8853406594189247
Energy: -1.2148116938202032
Energy: -0.8853406576101036
Energy: -1.2310573996910807
Energy: -0.8853406346649203
Energy: -1.2145712730226903
Energy: -1.483308601614551
Energy: -0.7298755393038532
Energy: -1.4893483495183748
Energy: -0.729808013567105
Energy: -1.475250195610934
Energy: -0.7297474216871737
Energy: -0.7447015987493618
Energy: -1.2272510947845114
Energy: -0.7379583197529151
Energy: -1.2133809582011152
Energy: -0.7381582826646934
Energy: -1.2334685551979652
Energy: -1.1115685274182734
Energy: -1.9725184864520422
Energy: -1.1115685173397207
Energy: -1.9220912466951101
Energy: -1.1115685406405684
Energy: -2.1089755656957374
Energy: -1.4824077960087894
Energy: -1.011207255742691
Energy: -1.4802742049224367
Energy: -1.0163900288248304
Energy: -1.4729412450394492
Energy: -1.0169087158739418
Energy: -1.212597713622424
Energy: -0.8747883656543558
Energy: -1.1983082717192435
Energy: -0.872938284342452
Energy: -1.197857707116749
Energy: -0.8712349799975093
Energy: -0.759393861757122
Energy: -1.2594835024036557
Energy: -0.7587506062705675
Energy: -1.2599600733443874
Energy: -0.7582651419277469
Energy: -1.2614295240195892
Energy: -1.252547565797286
Energy: -1.2754319536948246
Energy: -1.3235593495784848
Energy: -1.2760639500827458
Energy: -1.3128378816984412
Energy: -1.2751934405443455
Energy: -1.782616004653809
Energy: -1.0355276808749072
Energy: -1.7826748100429344
Energy: -1.0336156026418193
Energy: -1.7821748557110655
Energy: -1.0428029519656445
Energy: -1.2742804531768683
Energy: -1.1795131421884633
Energy: -1.2733697986368766
Energy: -1.182338705690435
Energy: -1.274172696547497
Energy: -1.1844005140486351
Energy: -1.35891369420875
Energy: -2.560336953034031
Energy: -1.2791021770730762
Energy: -3.0203709835162575
Energy: -1.2929042047675146
Energy: -1.8200315560981108
Energy: -2.563471667992763
Energy: -1.268626167534648
Energy: -1.770670133282639
Energy: -1.26831578955328
Energy: -1.5772361102387236
Energy: -1.2684844835813596
Energy: -1.1310686427644296
Energy: -1.2473673656701045
Energy: -1.1743470002986551
Energy: -1.246412210377342
Energy: -1.1719957997680368
Energy: -1.248852699350259
Energy: -1.224754015665685
Energy: -1.2597189719233028
Energy: -1.2249408803602366
Energy: -1.2596418235754008
Energy: -1.23197467592095
Energy: -1.2602473662391322
Energy: -1.3409455329263016
Energy: -1.2670594334539858
Energy: -1.2176019075689983
Energy: -1.260678936613747
Energy: -1.3338778294591263
Energy: -1.2660311018255583
Energy: -1.7936496158523028
Energy: -1.0314983755275513
Energy: -1.7933647992330886
Energy: -1.0140285074842235
Energy: -1.7890663821570665
Energy: -1.012583917900015
Energy: -1.2809395516559519
Energy: -1.6455664655129572
Energy: -1.2687648529097866
Energy: -1.65972600804412
Energy: -1.256934602810269
Energy: -1.6515669103640622
Energy: -1.7814085810523574
Energy: -1.0357011552654891
Energy: -1.7818087925946655
Energy: -1.0328395471925444
Energy: -1.7814250233461784
Energy: -1.0335240751763743
Energy: -1.3211961426967482
Energy: -1.2672795843363676
Energy: -1.3207571301086007
Energy: -1.260332956504235
Energy: -1.3205937720431156
Energy: -1.2587054172620404
Energy: -1.2318172537136902
Energy: -1.2607061310990109
Energy: -1.2315026833845797
Energy: -1.2604307061201425
Energy: -1.2322673701695235
Energy: -1.255670904368473
Energy: -1.1711521983973134
Energy: -1.528348522494672
Energy: -1.133884891725462
Energy: -1.5244586931254505
Energy: -1.177612426355526
Energy: -1.525992068353936
Energy: -2.5356504681818355
Energy: -1.2690402085777526
Energy: -1.5812201285157461
Energy: -1.2690261477454325
Energy: -2.121101198100701
Energy: -1.268756523055922
Energy: -1.0923035113894222
Energy: -1.1986135276649297
Energy: -1.0948290934612945
Energy: -1.2567371263222546
Energy: -1.123380442857793
Energy: -1.1989128226325885

minimum gb energy = -3.0203709835162575 eV
minimum distance =  2.35197922201001 Angstroms
sigma value = 17


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

Energy: -1.431920252508954
Energy: -1.3601260220960196
Energy: -1.4319202525387364
Energy: -1.3601260220518594
Energy: -1.4319202525602563
Energy: -1.3601260221483489
Energy: -1.5857461301756055
Energy: -1.46619153792961
Energy: -1.5857461301551126
Energy: -1.4661914237897158
Energy: -1.5857461301499776
Energy: -1.4661908037176759
Energy: -1.6121837635036482
Energy: -1.0265985380668812
Energy: -1.612183760837756
Energy: -1.026598537881092
Energy: -1.6121837646174046
Energy: -1.0265985378009876
Energy: -1.8373814274728648
Energy: -1.2025156742460306
Energy: -1.8373814660700647
Energy: -1.1910639297991388
Energy: -1.8373813986132264
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Energy: -1.7807946240729438
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Energy: -1.7828357500342185
Energy: -1.439658313663245
Energy: -1.7202440304927258
Energy: -1.4381868099876047
Energy: -1.7601505543328413
Energy: -1.4500761040070433
Energy: -1.7601505572645801
Energy: -1.4500761042256962
Energy: -1.760150554039266
Energy: -1.4500761033777867
Energy: -1.9742647812621474
Energy: -2.020290537959021
Energy: -1.974264781250851
Energy: -1.9711841800127374
Energy: -1.9742647812549587
Energy: -1.9852385557004426
Energy: -1.783732897501663
Energy: -1.1711884108412793
Energy: -1.783732897506798
Energy: -1.2463137740681651
Energy: -1.7837328974791165
Energy: -1.3014529796958345
Energy: -1.541822906080776
Energy: -1.4857955253833266
Energy: -1.5386374957789701
Energy: -1.4857955253401935
Energy: -1.538719064052001
Energy: -1.4857955253638142
Energy: -1.357388155236038
Energy: -1.4710988613146545
Energy: -1.2615278293526972
Energy: -1.4710988613557336
Energy: -1.2798266814851298
Energy: -1.4710988614316831
Energy: -1.4962765831784
Energy: -2.011683815843051
Energy: -1.496276582863258
Energy: -2.005900465159424
Energy: -1.4962765838456549
Energy: -1.9996008851000147
Energy: -1.6712985653712757
Energy: -1.4627023878532008
Energy: -1.6613805454309825
Energy: -1.4626987893983705
Energy: -1.7290580753675777
Energy: -1.4627016841207743
Energy: -1.8353354046740329
Energy: -1.5044063504431588
Energy: -1.8353354046524668
Energy: -1.504406638329901
Energy: -1.8353354046945727
Energy: -1.50440592358184
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Energy: -1.8298387935585818
Energy: -1.3625120288927441
Energy: -1.829838793541123
Energy: -1.3625120288701975
Energy: -1.8298387937095006
Energy: -1.7824470607148706
Energy: -2.0078536377148004
Energy: -1.6889943596442931
Energy: -2.020711566597572
Energy: -1.7741873448121734
Energy: -2.0406833322302735
Energy: -1.6149936349822944
Energy: -1.3853915530409573
Energy: -1.6146681130283662
Energy: -1.3853906676635306
Energy: -1.6237642309265938
Energy: -1.3853925057222027
Energy: -1.3648701611678329
Energy: -2.135500118940932
Energy: -1.3648701611051872
Energy: -2.1355001190538525
Energy: -1.3648701611318887
Energy: -2.1355001188444427

minimum gb energy = -2.1355001190538525 eV
minimum distance =  2.3917565874242 Angstroms
sigma value = 17


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

Energy: -2.018513953430624
Energy: -2.330223319393878
Energy: -2.018513953477024
Energy: -2.330223319397051
Energy: -2.0185139534790064
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Energy: -2.410982290334375
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Energy: -2.4404244251022233
Energy: -2.963588469800357
Energy: -2.4404244250118388
Energy: -2.75250123021496
Energy: -2.4404244249210576
Energy: -2.7143729187309478
Energy: -2.9071330533217385
Energy: -2.671007160899638
Energy: -2.869288307404805
Energy: -2.6700491247010114
Energy: -3.2167738037622184
Energy: -2.6779765741587656
Energy: -3.101629235333238
Energy: -2.5825341133645545
Energy: -3.1016478592607655
Energy: -2.582534113364951
Energy: -3.1017057762064386
Energy: -2.5825341133637614
Energy: -2.4304152794229053
Energy: -2.855108039763886
Energy: -2.430415279409818
Energy: -2.808858788866976
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Energy: -2.7735339306789877
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Energy: -2.5829229003165937
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Energy: -3.3819066822038764
Energy: -2.2809171913500745
Energy: -3.172404488025585
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Energy: -3.2447882697502846
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Energy: -2.3447777489160813
Energy: -2.555213741638489
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Energy: -2.021579941884512
Energy: -3.1982014632280475
Energy: -2.021579941881736
Energy: -3.1990539061894028
Energy: -2.0215799418813396
Energy: -3.1472259604118125
Energy: -2.464519718602612
Energy: -2.3833075363717255
Energy: -2.6286642841351027
Energy: -2.380002396006883
Energy: -2.481109697153558
Energy: -2.4654883076588483
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Energy: -2.9284297934803307
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Energy: -2.7249192038495345
Energy: -2.7518662193721126
Energy: -2.437643761801546
Energy: -2.672772837133569

minimum gb energy = -4.05260323094431 eV
minimum distance =  2.34897182807688 Angstroms
sigma value = 57


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

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Energy: -3.5248615225138553
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Energy: -3.614863234242635
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Energy: -3.6107276228085747
Energy: -3.5625926606237237
Energy: -3.6466684249560903
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Energy: -3.7297864624473562
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Energy: -3.617465887157919
Energy: -3.5796509983683564
Energy: -3.6174658871398386
Energy: -3.6388131956018737
Energy: -3.6174658871734167

minimum gb energy = -4.581168794565274 eV
minimum distance =  2.36391082174889 Angstroms
sigma value = 43


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

Energy: -1.991334617247956
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Energy: -2.5928696269365203
Energy: -2.752679327531506
Energy: -2.5928696260175847
Energy: -2.7819034929044673
Energy: -2.592869626326092

minimum gb energy = -3.201084848009251 eV
minimum distance =  2.37416276417635 Angstroms
sigma value = 81


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

Energy: 0.009057898986615716
Energy: -0.13100077013396771
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Energy: -0.13100077013396771
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Energy: 0.009057898986615716
Energy: -0.13100077013569636

minimum gb energy = -0.13188423054748044 eV
minimum distance =  2.43752521665167 Angstroms
sigma value = 3


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

Energy: -1.4424043020372046
Energy: -1.2555733884574423
Energy: -1.4424036984842274
Energy: -1.2503134671571527
Energy: -1.4424046870343508
Energy: -1.2065114958753866
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Energy: -3.240817409133766
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Energy: -2.54634526254508
Energy: -3.445075552284078
Energy: -1.2181063190429338
Energy: -3.5302017090059703
Energy: -1.2452213387914255
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Energy: -1.3213543727690065
Energy: -0.9622481701850579
Energy: -0.9214787633238618
Energy: -0.9728891537638515
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Energy: -3.7317270869955563
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Energy: -1.375152756753764
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Energy: -1.0167350367004104
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Energy: -1.1221348878502755
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Energy: -1.2801291933464374
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Energy: -1.1432755604114317
Energy: -1.2937159579883344
Energy: -1.1365785353113325
Energy: -0.8299041738303474
Energy: -1.2189681790222768
Energy: -0.8345386700065246
Energy: -1.2169320917014395
Energy: -0.8570972208718177
Energy: -1.2231675331628598
Energy: -1.0955808560941902
Energy: -3.245211349481028
Energy: -1.108885508166034
Energy: -3.6355560800220497
Energy: -1.098601766858031
Energy: -3.446791415962877
Energy: -1.3562570253443187
Energy: -0.8672795505192045
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Energy: -0.8725806148404318
Energy: -1.356257021475526
Energy: -0.9022264338744165
Energy: -1.0612490322769068
Energy: -1.0607710567098214
Energy: -1.027999338462019
Energy: -1.08221596302206
Energy: -1.0210582297024486
Energy: -1.0734613878592658
Energy: -2.9924796926611554
Energy: -1.1129898573455552
Energy: -2.821823877720683
Energy: -1.1136298965563942
Energy: -2.9491502053526277
Energy: -1.0992195952211243
Energy: -1.1057905045922036
Energy: -0.9739280979205496
Energy: -1.100899989459625
Energy: -0.9609062466694448
Energy: -1.1308716336108486
Energy: -0.9499458091027058
Energy: -1.0610204722180243
Energy: -1.492187466106602
Energy: -1.0978795906646248
Energy: -1.523930849819265
Energy: -1.0971600504511938
Energy: -1.4696351221201727
Energy: -1.2027864935180286
Energy: -1.1480188985034068
Energy: -4.064415329783172
Energy: -1.139901103230453
Energy: -4.164355883636989
Energy: -1.139556099315201
Energy: -1.3627253450710077
Energy: -4.639078631306074
Energy: -1.3627253452566737
Energy: -2.7580577505376294
Energy: -1.3627253457830562
Energy: -4.677220104685728
Energy: -3.2169314919911547
Energy: -1.26934688700257
Energy: -1.0516029913673868
Energy: -1.3145858306081246
Energy: -1.0454576358413932
Energy: -1.3021394323510271

minimum gb energy = -5.053524168123722 eV
minimum distance =  2.3087169356755 Angstroms
sigma value = 67


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

Energy: -5.5663836371689515
Energy: -1.4536398117306266
Energy: -4.95141233665588
Energy: -1.4536398140043214
Energy: -4.870649780676431
Energy: -1.4536398115213565
Energy: -1.8634830601980705
Energy: -3.042975026076152
Energy: -1.8082852662011442
Energy: -3.2271720183431643
Energy: -1.8518996628447657
Energy: -4.995114255200882
Energy: -1.556980002867336
Energy: -3.9566150612871587
Energy: -1.5156028530325558
Energy: -4.645887668210104
Energy: -1.499983256855923
Energy: -3.6434550320264782
Energy: -4.586597534378232
Energy: -1.8375464725080204
Energy: -1.8319510808396797
Energy: -1.8430961546195839
Energy: -4.097518616035855
Energy: -1.832227484119656
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Energy: -7.756485498664319
Energy: -1.508816563730927
Energy: -1.3271428967376317
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Energy: -1.4772953970138878
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Energy: -1.582471885344152
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Energy: -7.363620753620624
Energy: -1.464262106107754
Energy: -1.6883755715128885
Energy: -7.779561009726316
Energy: -1.6132115513685708
Energy: -7.235567981606235
Energy: -1.6791337410955023
Energy: -7.584579207582781
Energy: -4.919148315902834
Energy: -2.0193415972612025
Energy: -7.238721015507779
Energy: -2.019338211229344
Energy: -4.951992384305454
Energy: -2.019340680750568
Energy: -1.6093495382754268
Energy: -7.272579896964311
Energy: -1.5743842944722701
Energy: -6.847593335529862
Energy: -1.5852771499339373
Energy: -7.247384220914508
Energy: -1.6672399471870094
Energy: -1.2933733531268812
Energy: -1.6641525894740303
Energy: -1.2890739967527602
Energy: -1.625214521846895
Energy: -1.3337676533586764

minimum gb energy = -8.125547373648756 eV
minimum distance =  2.28267065267124 Angstroms
sigma value = 33


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

Energy: -4.509298083533407
Energy: -3.786785793817302
Energy: -3.872118308119107
Energy: -4.02268406923778
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Energy: -4.828353038190892
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Energy: -5.216730715529839
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Energy: -4.711672717547714
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Energy: -4.70749581438576
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Energy: -1.0112950297284995
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Energy: -0.9165980919744081
Energy: -1.042521903297908
Energy: -0.9160277459390357
Energy: -1.042699031386144
Energy: -0.9209930898995101
Energy: -1.052030468155664
Energy: -5.157809499230491
Energy: -0.9973860580046472
Energy: -5.0869298743959135
Energy: -0.9973860780634134
Energy: -1.1514845365631814
Energy: -0.99738609041343
Energy: -0.8061655246436799
Energy: -0.828430784835173
Energy: -0.8061655256009078
Energy: -0.7999265809665781
Energy: -0.8061655250479873
Energy: -0.773387639705026
Energy: -4.7194969753538425
Energy: -0.8758794041379254
Energy: -4.810383026377443
Energy: -0.8758794041514858
Energy: -5.25338332755454
Energy: -0.8758794041561621

minimum gb energy = -6.018701189948076 eV
minimum distance =  2.34735110370169 Angstroms
sigma value = 41


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

Energy: -0.9210715389130464
Energy: -0.4815641456727737
Energy: -0.9210545521280618
Energy: -0.4998331955193039
Energy: -0.9210144608364396
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Energy: -1.6416539364388432
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Energy: -1.5344867616044144
Energy: -1.1922957535013055
Energy: -1.525923080705721
Energy: -2.8441477051055983
Energy: -2.3477065751053017
Energy: -2.93628377041835
Energy: -2.2309990179030876
Energy: -1.6401528721121499
Energy: -2.208947277316067
Energy: -2.179978088323834
Energy: -0.3804324533222983
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Energy: -0.3804328274245357
Energy: -1.8301616603153712
Energy: -0.380435047363763
Energy: -0.7891958469464833
Energy: -1.171538392971795
Energy: -3.544333513422365
Energy: -1.1800588824639222
Energy: -3.4374571068646342
Energy: -3.8080419735247224
Energy: -1.1324371157470252
Energy: -2.715525312965076
Energy: -1.1832481234746004
Energy: -2.4282918569393033
Energy: -1.0994196150765945
Energy: -1.9593918313651852
Energy: -0.16363431907375886
Energy: -1.519030669150647
Energy: -0.16363431382373708
Energy: -1.519030647744743
Energy: -0.16363431838341244
Energy: -1.5190306394920396
Energy: -4.136679450207936
Energy: -1.0695414509256012
Energy: -4.189326221895789
Energy: -1.0582271814714521
Energy: -1.5533670582615835
Energy: -1.0476119457000586
Energy: -1.2952982212418371
Energy: -0.41468011012776107
Energy: -1.3083659129963945
Energy: -0.4146800949047986
Energy: -2.012085683647055
Energy: -0.41468005576321326
Energy: -1.3247968335779134
Energy: -1.54848223036596
Energy: -1.3014620093954818
Energy: -1.5484822285908832
Energy: -1.310300836880691
Energy: -1.5484822295964582
Energy: -0.9017548672590974
Energy: -1.5448735700043719
Energy: -0.8768712734709122
Energy: -1.5448735993605174
Energy: -0.8768544659966183
Energy: -1.5448736682640067
Energy: -1.7237335499130537
Energy: -2.2482962709623835
Energy: -1.7237338431454106
Energy: -2.225832701352612
Energy: -1.7237430521728947
Energy: -2.3824296116371477
Energy: -1.5300322840895153
Energy: -1.4965567053124997
Energy: -1.6297647863172668
Energy: -1.4965567053099462
Energy: -1.5911224914925866
Energy: -1.4965567053124997

minimum gb energy = -4.189326221895789 eV
minimum distance =  2.39366387967651 Angstroms
sigma value = 11


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

Energy: -0.24657655192726202
Energy: -0.6006883865050993
Energy: -0.24657627917687389
Energy: -0.5602066236459028
Energy: -0.24657692332963052
Energy: -0.5533557445820247
Energy: -2.033215748725236
Energy: -2.6369119616947407
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Energy: -2.4258719460252207
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Energy: -2.685817017840092
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Energy: -0.46426315601544127
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Energy: -1.6428223157162514
Energy: -2.282566798166527
Energy: -2.8442662881182748
Energy: -1.4892723013005709
Energy: -2.3207242140352897
Energy: -3.4411605782800443
Energy: -2.6444950770428055
Energy: -1.308101524549766
Energy: -2.066568089284787
Energy: -3.3071180120258274
Energy: -2.7071124269655065
Energy: -2.5246482773917953
Energy: -1.998414752593981
Energy: -3.1387633067897114
Energy: -1.376053024680515
Energy: -0.5346179359969839
Energy: -1.8140918424678965
Energy: -2.4117509134431665
Energy: -3.33424750950659
Energy: -2.284745156401126
Energy: -0.4425264868484428
Energy: -0.4834207109915751
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Energy: -1.418252530042562
Energy: -0.9479101897598415
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Energy: -2.237677625641448
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Energy: -2.52087049696117
Energy: -2.8009939179317027
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Energy: -1.7993912127199438
Energy: -2.299864829838264
Energy: -1.5842736159485262
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Energy: -1.768996516455502
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Energy: -1.772443726515261
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Energy: -0.9967624648626687
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Energy: -2.291005111673793
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Energy: -2.3596010528010054
Energy: -2.3744918551531518
Energy: -2.3637838703951495
Energy: -2.3999298672739395
Energy: -1.2598577504828363
Energy: -2.34910826834822
Energy: -2.3230349550454057
Energy: -1.3171924628005927
Energy: -2.1808437763357023
Energy: -2.1414648728368872
Energy: -2.536017812896171
Energy: -3.4192892987603876
Energy: -2.1060100752662416
Energy: -3.2949616755223605
Energy: -2.005975993145039
Energy: -0.48973442193675315
Energy: -1.7269164381301143
Energy: -0.5640315916644388
Energy: -1.7699281675545673
Energy: -0.4673818280232949
Energy: -1.8900289926490172
Energy: -0.4636399718809854
Energy: -3.3407169808593444
Energy: -0.4726103157390781
Energy: -2.942408472752715
Energy: -0.4826032269662072
Energy: -2.8578693076447865
Energy: -2.5803142671680788
Energy: -2.513593199376523
Energy: -2.530744987704082
Energy: -2.3031290230556034
Energy: -1.9834150800165544
Energy: -1.8216817006594475
Energy: -2.623305018746692
Energy: -2.2867719890307434
Energy: -2.0576467231404707
Energy: -2.7431911420583455
Energy: -1.9591106795084765
Energy: -2.981767188531031
Energy: -2.0160773220125967
Energy: -2.9242859159325256
Energy: -2.06205457012881
Energy: -3.318082706077496
Energy: -2.71549284244115
Energy: -2.7109666374477066
Energy: -2.3329765242489566
Energy: -1.7995788657980325
Energy: -2.172008161588894
Energy: -2.519308293608563
Energy: -2.4328475601541073
Energy: -0.9154710950389052
Energy: -1.4413788593110721
Energy: -4.381939955458786
Energy: -2.1965593317043637
Energy: -0.9686956690760107
Energy: -2.93169312930058
Energy: -2.2549988578936726
Energy: -1.7852156731747844
Energy: -1.4000615902832831
Energy: -1.8781898676984123
Energy: -1.3204956661638607
Energy: -1.7298472204368536
Energy: -2.486244103782286
Energy: -2.2442328214451766
Energy: -2.032354145960327
Energy: -1.6401443407241587
Energy: -1.9476984356399398
Energy: -1.5020081798190594

minimum gb energy = -4.381939955458786 eV
minimum distance =  2.30844464697875 Angstroms
sigma value = 57


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

Energy: -0.6639943031366748
Energy: -1.7458079020614292
Energy: -0.32959143529393137
Energy: -1.4082246724811467
Energy: -0.6874326436739382
Energy: -1.364152670035764
Energy: -0.9418411803221992
Energy: -1.6412259984469157
Energy: -0.94184117667
Energy: -1.4739725505677856
Energy: -0.9418411679868972
Energy: -1.637046853493106
Energy: -1.2536497983521198
Energy: -1.3811525745627813
Energy: -0.8994307319424445
Energy: -1.279961063996306
Energy: -0.8137711919908563
Energy: -1.6608093043563343
Energy: -0.4692548135155985
Energy: -0.5920137800805271
Energy: -0.4635228546056744
Energy: -0.6004691402727683
Energy: -0.4079610837635717
Energy: -0.5715764839541319
Energy: -1.179758556849169
Energy: -1.6586945673111004
Energy: -3.448484839752196
Energy: -1.6482794794268296
Energy: -1.225479087273433
Energy: -1.6911199952508573
Energy: -0.9502250342911964
Energy: -1.033234659429964
Energy: -0.9502995603734861
Energy: -1.0334866725748189
Energy: -0.9503337944215715
Energy: -1.0768045393567727
Energy: -0.6625994153777557
Energy: -1.2351938800697466
Energy: -0.6661401388499726
Energy: -1.8395454024005193
Energy: -0.35804179132935743
Energy: -1.2614289174740967
Energy: -0.9418411803022384
Energy: -1.902506120117416
Energy: -0.9418411779848298
Energy: -1.4832110985989493
Energy: -0.9418411673344498
Energy: -1.410461236619272
Energy: -0.854229317545096
Energy: -1.2799975028570254
Energy: -1.3841437942079775
Energy: -1.4220531531197353
Energy: -0.8191422476234368
Energy: -1.3808486622648672
Energy: -0.4899430811308363
Energy: -0.4640392887043133
Energy: -0.40487104040165495
Energy: -0.5452093162380176
Energy: -0.4719171304789937
Energy: -0.5464690538151485
Energy: -1.2006231669406944
Energy: -1.6742251282825762
Energy: -2.9647092703389792
Energy: -1.6634194841445478
Energy: -0.8083511192279715
Energy: -1.6444011607481803
Energy: -0.9502173504281201
Energy: -1.139290480265356
Energy: -0.9502579699660938
Energy: -1.1262943029873453
Energy: -0.9503389834141059
Energy: -1.1414728566852657
Energy: -0.6698563638095467
Energy: -1.3521564612513877
Energy: -0.6753190937772895
Energy: -1.7503848362742387
Energy: -0.31329408338168774
Energy: -2.2125796989649675
Energy: -0.9418411802463934
Energy: -1.6415130931960393
Energy: -0.9418411775338963
Energy: -1.5485625030282069
Energy: -0.9418411713557884
Energy: -1.3406495427474328
Energy: -1.142237025893672
Energy: -1.3797594287704524
Energy: -0.8324690096381387
Energy: -1.4200763767621563
Energy: -0.8309687897276532
Energy: -1.6764957371204101
Energy: -0.3941481848173566
Energy: -0.8305051007761848
Energy: -0.40708309491956135
Energy: -0.5628547819960359
Energy: -0.4109122500952241
Energy: -0.5626498390890764
Energy: -0.827702052178893
Energy: -1.4284644901738495
Energy: -0.8161766510912785
Energy: -1.6696897131627826
Energy: -0.9955870305752614
Energy: -1.6946635973220907

minimum gb energy = -3.448484839752196 eV
minimum distance =  2.39035298990237 Angstroms
sigma value = 9


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

Energy: -1.6273146718399971
Energy: -2.2097739754027894
Energy: -1.418946262903277
Energy: -2.8322816670978828
Energy: -1.6069219906070493
Energy: -2.9702890022432964
Energy: -2.266015453423167
Energy: -2.6371797012185234
Energy: -2.214911177173083
Energy: -2.6449008740982647
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Energy: -2.440507249243817
Energy: -1.7901445503276177
Energy: -1.9886352457876373
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Energy: -2.1825008723150128
Energy: -1.9310675444879195
Energy: -2.024696536266412
Energy: -2.602854313380365
Energy: -2.1777937523318878
Energy: -2.892136242554287
Energy: -2.185588473013201
Energy: -2.435330584812286
Energy: -2.185286485514144
Energy: -2.4192800750407932
Energy: -1.8564308864419465
Energy: -2.526540958147338
Energy: -3.2207110781644235
Energy: -2.291904760311453
Energy: -2.1777368122859064
Energy: -3.043609071566745
Energy: -2.016698198197861
Energy: -3.0831570831709416
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Energy: -2.1448962666212847
Energy: -2.0047008821710603
Energy: -4.112144250063998
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Energy: -2.206870188120527
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Energy: -2.126871875097735
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Energy: -2.131416627471091
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Energy: -2.2522216689411914
Energy: -2.012559308613687
Energy: -3.288472504468743
Energy: -1.9759512380250568
Energy: -2.5270951150759164
Energy: -2.0755517771828362
Energy: -5.088973188796439
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Energy: -3.3998098791238442
Energy: -1.6718952836375094
Energy: -3.382037854325181
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Energy: -2.188931490087367
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Energy: -2.530000892582221
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Energy: -2.519770451243284
Energy: -2.4906224017341234
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Energy: -3.100334055077052
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Energy: -2.047259015284984
Energy: -1.7026697961591124
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Energy: -1.8752764167087033
Energy: -1.744902883178203
Energy: -2.83661415519639
Energy: -1.6172625592479226
Energy: -2.724476153055604
Energy: -1.7162544021414636
Energy: -1.8277287666574165
Energy: -1.8139399376737015
Energy: -2.236895065550244
Energy: -2.4209791923607726
Energy: -1.987935426151391
Energy: -2.4493552072616334
Energy: -1.875065513726872
Energy: -2.3482559483004186
Energy: -1.916864652414895
Energy: -1.8773580058253017
Energy: -1.8626422593878158
Energy: -1.889317557938742
Energy: -1.886384821955507
Energy: -1.997919118036784
Energy: -1.7618362987985505
Energy: -3.853216274118256
Energy: -2.7351349501378603
Energy: -2.086259217831979
Energy: -2.921941887857594
Energy: -2.2196053146292507
Energy: -2.256338166328551
Energy: -3.273884321381719
Energy: -1.8881300129651146
Energy: -3.2691753238558703
Energy: -1.954935451073491
Energy: -3.252853562137756

minimum gb energy = -5.088973188796439 eV
minimum distance =  2.29992421136581 Angstroms
sigma value = 27


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

Energy: -1.9261460461594941
Energy: -2.051963968107244
Energy: -1.9518385405629475
Energy: -2.063508938003956
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Energy: -1.5304940440167638
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Energy: -1.3938867258466086
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Energy: -1.3127251451533235
Energy: -1.1491190492570778
Energy: -1.6595372376039195
Energy: -2.0995555636529497
Energy: -1.6487397245281148
Energy: -1.862400027328315
Energy: -1.4424344698528684
Energy: -2.0311438524278795
Energy: -2.3508837537885476
Energy: 0.7612785815779796
Energy: -2.2912722602763225
Energy: 0.7612785815772926
Energy: -3.0020893512770517
Energy: 0.7612785815766058
Energy: -1.6182792906300796
Energy: -2.019829949220054
Energy: -1.9736858091338214
Energy: -2.5584714664588293
Energy: -1.6186314379934215
Energy: -2.28543174404388
Energy: -2.044172783562597
Energy: 0.681772199812414
Energy: -1.883939088591185
Energy: 0.6817721979640916
Energy: -2.146472170262644
Energy: 0.6817721982970819
Energy: 0.7310274757593184
Energy: -1.832003597479877
Energy: 0.7310274757600053
Energy: -2.025356521690099
Energy: 0.7310274757593184
Energy: -2.153383977921015
Energy: -1.1300356451579563
Energy: -1.7019394007506803
Energy: -1.0492559163326596
Energy: -1.6912057316839242
Energy: -0.8869175432195016
Energy: -1.674882558652042
Energy: 0.6939147312759518
Energy: -1.733140334368443
Energy: 0.6939147312773256
Energy: -2.0941600536351097
Energy: 0.6939147312773256
Energy: -1.9884043639242501
Energy: -1.890101288846995
Energy: -1.9729231821260251
Energy: -1.8332850988891467
Energy: -1.4376716289437026
Energy: -1.7010849212034964
Energy: -1.5910981711198715

minimum gb energy = -3.554434055566917 eV
minimum distance =  2.29671579573348 Angstroms
sigma value = 19


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

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Energy: -1.682101590779477
Energy: -1.110569939704289
Energy: -1.5986483251413288
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Energy: -1.15970897873359
Energy: -1.0370760091850673
Energy: -1.095439215048773
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Energy: -1.1646682368132117
Energy: -1.8350570347843809
Energy: -1.1164227804143636
Energy: -0.8876607620892378
Energy: -0.9954582782315967
Energy: -1.1948196887486442
Energy: -0.8585125305694167
Energy: -1.3941927530529543
Energy: -1.0833822941406475
Energy: -1.7452071210214313
Energy: -1.9992351028341004
Energy: -1.751583916618949
Energy: -1.1595854199652753
Energy: -1.7559676594608535
Energy: -1.033547652294977
Energy: -1.0727704306392505
Energy: -1.2759056506481294
Energy: -1.0065161714869997
Energy: -1.065717683514333
Energy: -1.0974884445244202
Energy: -1.047021980864623
Energy: -1.3329460148576753
Energy: -1.2400892125336251
Energy: -1.3391155702055342
Energy: -1.2092159988118232
Energy: -1.056816395173541
Energy: -1.208761273292801
Energy: -1.1376477928769626
Energy: -1.0965331181318247
Energy: -1.2147653598352564
Energy: -0.9119669555603025
Energy: -1.3623319106755427
Energy: -1.3455102127024565
Energy: -1.7459169367242469
Energy: -1.3024070417975775
Energy: -0.9155382182446127
Energy: -1.0397666088512671
Energy: -1.5948108210609553
Energy: -1.3151366555141322
Energy: -1.3876310739037705
Energy: -1.400158154962079
Energy: -1.523319349569204
Energy: -1.5096099999060029
Energy: -1.476352980489804
Energy: -1.498832531838125
Energy: -1.0402251658961301
Energy: -1.0666379311954761
Energy: -1.429181563678197
Energy: -0.6945239520417771
Energy: -1.461096325252626
Energy: -0.8415639043177824
Energy: -1.288458941267851
Energy: -1.319532239806235
Energy: -1.3050553939761629
Energy: -1.2057345880550248
Energy: -1.2944204790019407
Energy: -1.0899509052535312

minimum gb energy = -1.9992351028341004 eV
minimum distance =  2.31642614600061 Angstroms
sigma value = 101


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

Energy: -1.2109458178492445
Energy: -2.6844267313534114
Energy: -1.1776645964512726
Energy: -0.6947537327879487
Energy: -1.1601156357896496
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Energy: -1.6451203425224088
Energy: -1.4326290014249023
Energy: -3.778955496778646
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Energy: -1.6983893655966678
Energy: -1.3670026638620802
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Energy: -1.3984727212817583
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Energy: -1.2966224602432854
Energy: -1.3974847576827485
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Energy: 0.6639444101039678
Energy: -3.8717405337168618
Energy: 0.6639460914385067
Energy: -4.350348909695669
Energy: 0.6639462087755037
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Energy: -1.0481281360516383
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Energy: -2.0981524592066956
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Energy: -1.2282981235715396
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Energy: -1.122833778073891
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Energy: -0.738064922082835
Energy: -1.4052428839670992
Energy: -0.9671733743595887
Energy: -1.331217000918367
Energy: -1.7847682064278192
Energy: -1.0809811420629694
Energy: -3.4886976046023928
Energy: -1.063737339873175
Energy: -2.749570694504462
Energy: -1.3027130658021238
Energy: -1.5336254638769897
Energy: -1.3477477136548133
Energy: -1.1753080390931756
Energy: -1.2623146591439247
Energy: -1.4675731067398716
Energy: 0.7072572404028812
Energy: -1.0941975606014842
Energy: 0.7072572404018387
Energy: -1.2913718313884368
Energy: 0.7072572404039235
Energy: -1.1483224047420775
Energy: -1.9187359144309268
Energy: -1.2967109042935672
Energy: -1.4646648857176998
Energy: -1.5675495711296596
Energy: -1.5578452735625554
Energy: -1.459838210265732
Energy: -3.796409615105462
Energy: -3.859592404299404
Energy: -3.6535058914768648
Energy: -1.3847757557239344
Energy: -1.417480301122381
Energy: -1.494948125337371
Energy: -1.2268122665457903
Energy: -3.758322996171999
Energy: -1.1947557890979215
Energy: -1.135813956031049
Energy: -1.2099505369840482
Energy: -1.2469673966818626
Energy: -1.007297655181649
Energy: -1.2321405758858177
Energy: -1.0384402915998692
Energy: -1.3357387820765212
Energy: -1.1278110026179213
Energy: -1.4120192074830709

minimum gb energy = -4.442865115023399 eV
minimum distance =  2.29018946586894 Angstroms
sigma value = 33


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

Energy: 0.017065261146123428
Energy: 0.45353304539880174
Energy: 0.017065261146123428
Energy: 0.4535330453996438
Energy: 0.01706526114569037
Energy: 0.4535330453992107
Energy: 0.017757791591752854
Energy: 0.08238437835414981
Energy: 0.017757791591752854
Energy: 0.08238437835458287
Energy: 0.017757791591752854
Energy: 0.08238437835414981
Energy: 0.45470027519798223
Energy: -5.340112389897697
Energy: -1.3378767171751584
Energy: -5.340112389898128
Energy: 0.454720786004366
Energy: -5.340112389897697
Energy: 0.01775779159300391
Energy: 0.08238437835670004
Energy: 0.017757791592570852
Energy: 0.08238437835626697
Energy: 0.01775779159300391
Energy: 0.08238437835670004

minimum gb energy = -5.340112389898128 eV
minimum distance =  2.55705152374888 Angstroms
sigma value = 1