Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_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=3.6582963466644287
cohesive_energy=4.015220655245625
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.399403557024326e-19, 2.21962346521092e-19, 2.7510173894097e-19, 3.2405784816947395e-19, 3.7376858259259196e-19, 4.21119310833828e-19, 4.62758279374854e-19, 4.97950089140664e-19, 5.26854957794658e-19, 5.4997917315318e-19, 5.685692286374819e-19, 5.836953782390759e-19, 5.961202580357459e-19, 6.063982211428559e-19, 6.1494743566188e-19, 6.220402716205979e-19, 6.278513662721159e-19, 6.32526517690128e-19, 6.36189093475452e-19, 6.38960859052272e-19, 6.409587733148699e-19, 6.422853755678219e-19, 6.43023978996096e-19, 6.432578967846599e-19, 6.42998344169952e-19, 6.42139577494128e-19, 6.40556626979736e-19, 6.38095683669912e-19, 6.34591723371354e-19, 6.29948615486022e-19, 6.24156746954112e-19, 6.172241286587939e-19, 6.09158771483238e-19, 5.998789644191099e-19, 5.89134767911506e-19, 5.76525637801926e-19, 5.61309766308828e-19, 5.420467966382459e-19, 5.16503294562384e-19, 4.819427423903699e-19, 4.34156222104686e-19, 3.65478920688276e-19, 2.6591005159171197e-19, 9.1176667887672e-20, -2.71266128079174e-19, -9.88323484979142e-19, -2.1421902684897e-18, -3.774888367367399e-18, -6.0632452101769195e-18, -9.21911661323208e-18, -1.3452163410858118e-17, -1.8925070618471397e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01512061018834283
Energy: 0.015798743455472785
Energy: 0.01554668175712292
Energy: 0.017082568665820357
Energy: 0.6176846738528052
Energy: 0.015489811156722093
Energy: 0.015798743455779012
Energy: 0.06965893972433565
Energy: 0.06784632317314741
Energy: 0.06422593068814994
Energy: 0.07027609854083666
Energy: 0.0646845359433154
Energy: 0.015546681756816689
Energy: 0.06784632317222873
Energy: 0.06479401935953741
Energy: 0.01564298807990789
Energy: 0.06808324437301738
Energy: 0.0644163636419263
Energy: 0.017082568665548154
Energy: 0.06422593068454324
Energy: 0.015642988080214124
Energy: 0.015522026770209337
Energy: 0.06436766801961512
Energy: 0.015455548780902696
Energy: 0.6176846738543024
Energy: 0.07027609854321845
Energy: 0.06808324437390204
Energy: 0.06436766801604245
Energy: 0.06755177230045145
Energy: 0.06467467410231093
Energy: 0.015489811157912982
Energy: 0.06468453594362164
Energy: 0.06441636364253876
Energy: 0.015455548780596469
Energy: 0.06467467409962292
Energy: 0.01572814032707162

minimum gb energy = 0.01512061018834283 eV
minimum distance =  2.57871864572907 Angstroms
sigma value = 1


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

Energy: 1.0934795969923023
Energy: -5.138905371106665
Energy: -2.0257726006432355
Energy: -6.28293313760329
Energy: -4.813988967842469
Energy: -1.7906678377325802
Energy: 1.0102887081272254
Energy: -3.946892400776976
Energy: -3.6783365369390806
Energy: -3.6855510265251956
Energy: -6.016284257517613
Energy: -3.1662920899552107
Energy: 1.0514954053314074
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Energy: -5.5186472673916445
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Energy: 0.9034097431791988
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Energy: -3.762148252757643
Energy: -2.9778253008657076
Energy: 0.38097326135533216
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Energy: -4.90538817825554
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Energy: 0.639051202154309
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Energy: -3.834138187434708
Energy: 0.7232065506682209
Energy: -1.9971249058785638
Energy: -1.8664513461352283
Energy: -4.538414787405047
Energy: -4.720566014374137
Energy: -1.9789598004841003
Energy: 0.7377317009520751
Energy: -4.74706539815452
Energy: -4.142732104958805
Energy: -2.6859032873276996
Energy: -4.000347852454001
Energy: -2.617213861522757
Energy: -3.796219888051871
Energy: -4.792324833476368
Energy: -1.9236390643374288
Energy: -4.637235425357177
Energy: -5.226978403407794
Energy: -5.078509286399744
Energy: 1.0169604968356136
Energy: -3.5155529474943568
Energy: -2.9107188060704767
Energy: -2.3924632361168907
Energy: -4.870418616360469
Energy: -2.375649405901294
Energy: 1.0014264168764642
Energy: -2.2422704597916665
Energy: -4.898175390604781
Energy: -3.982521772284279
Energy: -3.3805780101590392
Energy: -3.8314874726944352
Energy: 1.0101175010491779
Energy: -3.7598973438598122
Energy: -3.2561465491769614
Energy: -4.756816926564838
Energy: -3.277244798986647
Energy: -3.073117109011333

minimum gb energy = -6.28293313760329 eV
minimum distance =  2.27456733647537 Angstroms
sigma value = 33


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

Energy: 1.5022187681533359
Energy: -1.9882030057825448
Energy: -2.391543591511586
Energy: -3.6535613989466356
Energy: -3.7247646388698983
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Energy: 0.9894631552164782
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Energy: -2.4458588420470635
Energy: -3.1409642392921824
Energy: -1.818176581748202
Energy: -1.9484938177083309

minimum gb energy = -4.8022979771581875 eV
minimum distance =  2.28321506686289 Angstroms
sigma value = 51


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

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Energy: -1.5981239520432313
Energy: -1.2584617980616706
Energy: 1.1673792665886318
Energy: -1.2957456219840104
Energy: -1.9706604883426695
Energy: -1.2203823026029548
Energy: -1.0736008051837287
Energy: -1.676274050410602

minimum gb energy = -2.9123701576431005 eV
minimum distance =  2.31260107276226 Angstroms
sigma value = 19


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

Energy: 1.3053968094452257
Energy: -1.0835432502934876
Energy: -2.7459687915864612
Energy: -3.3287729146495657
Energy: -1.1209034172766053
Energy: -1.4439510076682296
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Energy: -0.8524251923615175
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Energy: -0.9740601790655316
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Energy: -1.5734539206503517
Energy: -1.5139492987411654
Energy: -1.0126351370945974
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Energy: -1.3379973232403373
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Energy: -3.2850736465033568
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Energy: -1.607318881555536
Energy: -0.8684174136604355
Energy: -1.2773752967179848
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Energy: -0.8899622106421712
Energy: -1.999368241718965
Energy: -1.4272977087500724
Energy: -0.6275836989898212
Energy: -0.8092447360261468
Energy: -1.4454982257566003
Energy: -0.8011677769699855
Energy: -1.4301872974042686
Energy: -1.981681358312057
Energy: -1.0672064163691
Energy: -1.716356474237002
Energy: -1.0024530808799124
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Energy: -0.9052951096694625
Energy: 0.5267219285707061
Energy: -1.3468407361479957
Energy: -1.6601582497496672
Energy: -1.2550072018118115

minimum gb energy = -3.6513678969528125 eV
minimum distance =  2.2101076496683 Angstroms
sigma value = 27


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

Energy: 0.8407243423367485
Energy: -1.496629945098098
Energy: -1.3237890174388456
Energy: -0.1959649994650115
Energy: -2.270136733070044
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Energy: -0.1338633665284629
Energy: 0.0626635791107088
Energy: -1.2235893905641089
Energy: 0.22385646739728782
Energy: -0.729539552340212
Energy: -0.8918436582727118
Energy: -0.610584544932665
Energy: -0.8289794960823162
Energy: 0.7415894485789306
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Energy: -0.32937831397466066
Energy: -1.9951915009103487
Energy: -0.045069134953116506
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Energy: -1.9788225311346497
Energy: -1.2310503623260303
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Energy: 0.32291140096164955
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Energy: -0.46532061815516296
Energy: -0.8704240805747462
Energy: 0.48396101532027674
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Energy: -1.3798894161571473
Energy: -0.4503901214869225
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Energy: -1.169772217428749
Energy: -0.8110819359900013
Energy: -0.6404278684974448
Energy: -0.32625769446041114
Energy: -0.8566656549503661
Energy: -0.2822146552806146
Energy: 0.4677782972640156
Energy: -0.60192210545101
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Energy: -1.9636305236637128
Energy: -1.3215316801864048
Energy: -1.0889303110186133
Energy: -0.8047781181262254
Energy: -1.00032158237682
Energy: -0.5024272718282243

minimum gb energy = -2.270136733070044 eV
minimum distance =  2.31019962511213 Angstroms
sigma value = 9


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

Energy: -5.6969602345896515
Energy: -2.041188550765034
Energy: -1.908947602278494
Energy: -2.3163258778880653
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Energy: -2.1941496694562077
Energy: -4.219749605494417
Energy: -1.8563314407167875
Energy: -2.673999774341843

minimum gb energy = -5.72801849399132 eV
minimum distance =  2.30509151320054 Angstroms
sigma value = 57


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

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Energy: 0.17623948416691518
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Energy: 0.14529619541734817
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Energy: -0.07883277734574083
Energy: 0.17186143318604818
Energy: -0.00717377168813746
Energy: -0.08364294125624161
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Energy: -0.16850396719487667
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Energy: -0.06457261985654553
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Energy: -0.05193738497160045
Energy: -0.11803320450051451
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Energy: -0.09523782832824007
Energy: 0.1596117899635486
Energy: 0.164517279737709
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Energy: -0.08115568449551906
Energy: -0.11777381654559288
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Energy: -0.0805785454587492
Energy: -2.1245948496992426
Energy: -0.1213526712640792
Energy: -0.0865132310507854
Energy: -0.14088849892956357
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Energy: -0.1429270030892833
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Energy: -0.12450444415302922
Energy: 0.16322991255178645
Energy: -2.174871286043537
Energy: -0.1490193887728078

minimum gb energy = -2.4087839324154454 eV
minimum distance =  2.40122265247801 Angstroms
sigma value = 11


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

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Energy: -2.9850215404893117
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Energy: -3.7888461871365275
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Energy: -4.269874570503577
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Energy: -4.088657488099018
Energy: -3.577044072337839
Energy: -3.6419559440982576
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Energy: -3.044613252294115
Energy: -3.0087667065101473
Energy: -3.7854858784858827
Energy: -3.558226973839405
Energy: -3.301979469871785
Energy: -3.2462811535873266
Energy: -3.480933977724319
Energy: -3.1222235039230237
Energy: -3.6708162583883945
Energy: -3.239111524197057
Energy: -3.2510407344813697
Energy: -3.0707381030707612
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Energy: -3.5451758458030285
Energy: -2.693578483409624
Energy: -2.941641326852754
Energy: -2.9875081490608877
Energy: -2.587450017086618

minimum gb energy = -5.224547192233549 eV
minimum distance =  2.29712065549075 Angstroms
sigma value = 41


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

Energy: -2.195789630299305
Energy: -1.5259689105538696
Energy: -1.2463974254368702
Energy: 0.6551540043765434
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Energy: -1.5846596837375793
Energy: -2.183560075305457
Energy: -1.653706080337113
Energy: -2.3156754003211684

minimum gb energy = -2.9845862824005636 eV
minimum distance =  2.34724292334867 Angstroms
sigma value = 33


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

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Energy: -3.255137463316262

minimum gb energy = -6.385870186541425 eV
minimum distance =  2.28034121701825 Angstroms
sigma value = 67


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

Energy: -1.0844946083336395
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Energy: -1.0448585892521765
Energy: -1.0532439196363625
Energy: -1.425061943025939

minimum gb energy = -1.678643388208008 eV
minimum distance =  2.32045554382188 Angstroms
sigma value = 3


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

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Energy: -4.794221609528524

minimum gb energy = -7.264009875414762 eV
minimum distance =  2.25259190400402 Angstroms
sigma value = 81


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

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Energy: -0.750758487883459
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Energy: -0.79389393494408
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Energy: -2.03889414368099
Energy: -1.9517931106370126
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Energy: -2.449479325594125
Energy: -2.773038684766938
Energy: -2.1714233592248995
Energy: -1.5328631706880889
Energy: -1.5604608982362613
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Energy: -1.5401450026710062
Energy: -2.2383754452403695
Energy: -2.706984859994387
Energy: -2.7314468930087243
Energy: -2.659072577986119
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Energy: -2.4563169554739424
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Energy: -2.607627258343348
Energy: -1.7748606300619796
Energy: -1.8145399202185932
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Energy: -1.819173990624063
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Energy: -2.575032929853676
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Energy: -1.8130703063165328
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Energy: -2.610861571705023
Energy: -2.834547164727275
Energy: -2.583393927243199
Energy: -2.585562433524328
Energy: -2.183464759237896
Energy: -1.9092163660979509
Energy: -2.4869485820210566
Energy: -0.8726621355984413
Energy: -1.3451359101273463
Energy: -3.0285396886708953
Energy: -1.3317239149771063
Energy: -3.507380709323238
Energy: -2.640290344715691
Energy: -2.1790323340050386
Energy: -2.352304321673655
Energy: -2.343163288820574
Energy: -1.893322882587618
Energy: -2.322618093636807
Energy: -2.1781124735779107
Energy: -2.4387308905568292
Energy: -1.7207768556013159
Energy: -0.7611616679228929
Energy: -1.9636365659160544
Energy: -0.7166304575648019

minimum gb energy = -3.865276502959652 eV
minimum distance =  2.41314557838522 Angstroms
sigma value = 43


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

Energy: -1.4140397710045278
Energy: -0.6270035518423934
Energy: -1.1616159686945158
Energy: -0.7332940628029295
Energy: -1.8868920412720673
Energy: -0.9250515780224087
Energy: -1.8437542458204699
Energy: -1.6038491349046107
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Energy: -1.5310867342174617
Energy: -1.9038676825836558
Energy: -1.2305648683919952
Energy: -1.9713112127178736
Energy: -3.319864156815273
Energy: -3.4903718763118627
Energy: -2.591936613517378
Energy: -1.9711254698044243
Energy: -2.4620916351803808
Energy: -1.9829941345477053
Energy: -1.8487199581311056
Energy: -2.305079747472528
Energy: -1.3762798257682376
Energy: -2.0610243068870853
Energy: -1.6577875558000563
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Energy: -2.198605910941831
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Energy: -1.9008567636283749
Energy: -1.7877890118600714
Energy: -1.295300109984627
Energy: -2.121572015176648
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Energy: -2.6397307605242624
Energy: -2.757739939087254
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Energy: -2.04522508104264
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Energy: -2.446709298371849
Energy: -2.0843357791707757
Energy: -2.3404603348549124
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Energy: -2.203542852458841
Energy: -1.8174947974706852
Energy: -2.561514819104906
Energy: -3.145949315501358
Energy: -3.278188626366182
Energy: -3.017042052545131
Energy: -3.3295521865994933
Energy: -1.847914851513323
Energy: -1.4768108544771366
Energy: -1.3850220958995023
Energy: -2.1206747823235155
Energy: -2.512602877809798
Energy: -1.384250838596736
Energy: -1.8223216508968014
Energy: -0.6884749921469839
Energy: -2.5804824478894752
Energy: -2.7302904222234043
Energy: -2.598065083466035
Energy: -2.52111900715429
Energy: -1.7910398481724217
Energy: -1.5767239772733739
Energy: -2.1683212286323306
Energy: -2.1403539259374185
Energy: -1.5019329853046688
Energy: -3.044408425903945
Energy: -1.688635534440116
Energy: -2.899687758943121
Energy: -2.390823522028756
Energy: -1.7594424579515058
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Energy: -1.7227616469984848
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Energy: -3.2775332481608856
Energy: -2.3107014186118575
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Energy: -3.3356716084522255
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Energy: -1.8918985605806147
Energy: -2.808870830437866
Energy: -1.880515289488219
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Energy: -2.8917870498813425
Energy: -2.149009940821418
Energy: -2.264012272412516
Energy: -2.53839946357995
Energy: -1.4134436987893884
Energy: -2.5136654004587866
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Energy: -1.7667799209978376
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Energy: -1.8511995929013627
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Energy: -2.066212894720406
Energy: -1.7786942542324988
Energy: -2.038393347704037
Energy: -1.626056931176202
Energy: -1.6850586941873118
Energy: -2.401049471064687
Energy: -1.4720894917903544
Energy: -1.9344051970090077
Energy: -0.8157862631582642
Energy: -2.3556329128266658
Energy: -2.4448382132221465
Energy: -3.4224855871858635
Energy: -1.5410091121560536
Energy: -1.8803000713461848
Energy: -2.5768758201504234
Energy: -2.1102362853202474
Energy: -1.9914415226781483
Energy: -1.561484535885442
Energy: -1.76418676625116
Energy: -1.8893532451494326
Energy: -2.6667482618377867
Energy: -2.9917457099162297
Energy: -2.1929418315054074
Energy: -2.7151847518401664
Energy: -2.1951866017970336
Energy: -1.846978057815705
Energy: -2.6045622939738187
Energy: -2.454819736082704
Energy: -2.6231576144928264
Energy: -3.6112750253469605
Energy: -1.3284751025041968
Energy: -2.0589166428077426
Energy: -1.7084109918977495
Energy: -2.0201259345942746
Energy: -1.2905828038708076
Energy: -3.547614094663406
Energy: -1.7190995229404227
Energy: -2.1664376673812917
Energy: -3.4675877418630843
Energy: -3.653649871208361
Energy: -2.4796942877081003
Energy: -1.6829882650196208
Energy: -2.093107581325062
Energy: -2.0676489847157744
Energy: -2.22660334283894
Energy: -2.5236326109542335
Energy: -3.057763033034173
Energy: -2.171727906692606
Energy: -2.41882448202898
Energy: -1.9577634047078858
Energy: -2.5047694083650227
Energy: -2.6756236373126514
Energy: -2.309424715572171
Energy: -3.403501162662166
Energy: -2.6388545933046954
Energy: -1.9572152289595717
Energy: -1.3326403861077152
Energy: -1.6065054492011532
Energy: -1.9386075624560646
Energy: -1.5393780175262266
Energy: -1.7555560587059265
Energy: -1.4237645717039427
Energy: -2.1943905183036883
Energy: -3.3186495821757354
Energy: -2.041802533672031
Energy: -3.107082880770458
Energy: -3.128121686828952

minimum gb energy = -3.653649871208361 eV
minimum distance =  2.24325541323229 Angstroms
sigma value = 57


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

Energy: -1.6614578523729877
Energy: -2.1476724922670125
Energy: -3.6087083104135798
Energy: -2.3531067405264103
Energy: -2.3386823211084335
Energy: -2.41882590614377
Energy: -2.7401366365351887
Energy: -2.160441771128409
Energy: -2.1024627599847268
Energy: -2.500160670007208
Energy: -2.616659803620621
Energy: -2.2715789139787312
Energy: -2.858169850365393
Energy: -2.0799199120402996
Energy: -2.4415374583674296
Energy: -2.2418578980407933
Energy: -2.985367902348121
Energy: -1.6763026502364256
Energy: -2.875512372469653
Energy: -2.1467648601072895
Energy: -2.0380694158755417
Energy: -3.189920746375467
Energy: -1.588891423046053
Energy: -2.530011993901637
Energy: -2.893163931556958
Energy: -1.8637827474960986
Energy: -2.697043088842485
Energy: -2.113775930274276
Energy: -1.835696439226916
Energy: -1.8793914718726807
Energy: -2.730709545561968
Energy: -1.7769769091912408
Energy: -3.0404533836004903
Energy: -3.1181619735820307
Energy: -1.8417651439313956
Energy: -2.420925190271201
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Energy: -2.7322068287033643
Energy: -2.5717277660319415
Energy: -2.690517301154531
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Energy: -2.3307154783510535
Energy: -2.337240470161058
Energy: -2.084567112790979
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Energy: -2.1965000361022726
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Energy: -2.7674432243556977
Energy: -2.4972694582238635
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Energy: -2.688340089969936
Energy: -2.692714451404204
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Energy: -2.611607785116493
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Energy: -1.9842644190556404
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Energy: -1.8274763335085595
Energy: -1.9753511027987536
Energy: -2.9018458809945096
Energy: -2.752823797394138
Energy: -2.9985934757842725
Energy: -2.240432768795262
Energy: -2.8767981305664336
Energy: -3.2536367800862958
Energy: -2.93062436154405
Energy: -1.9727927463726638
Energy: -1.6782979287774886
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Energy: -2.0009694237056035
Energy: -1.9535222341921024
Energy: -2.8459368040710498
Energy: -1.8512242435509838
Energy: -2.4799034081024187
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Energy: -2.3549240514543506
Energy: -2.8017680157366627
Energy: -1.7782211477147103
Energy: -2.0308020959654227
Energy: -2.5031698963972575
Energy: -1.7841494838226675
Energy: -2.035033883833199
Energy: -2.895936735472715
Energy: -2.752097815533688
Energy: -3.079443886338239
Energy: -2.443111395058246
Energy: -2.9836816613422217
Energy: -1.4491491264279832
Energy: -2.787114501033653
Energy: -2.4035104098400657
Energy: -2.0337901894354595
Energy: -1.949649344610179
Energy: -1.9943918517861703
Energy: -2.567672492351694
Energy: -2.7014795157359277
Energy: -2.596529750956742
Energy: -2.7719423788444475
Energy: -1.9970892613982534
Energy: -2.6212034243345745
Energy: -2.646238400194508
Energy: -2.652824926978944
Energy: -2.076690681894139
Energy: -2.260619323442196
Energy: -1.8085103491344388
Energy: -2.3905173498998193
Energy: -2.3556507837842546
Energy: -2.7552627681632953
Energy: -2.2411498492161948
Energy: -2.363594971037212
Energy: -2.510421347666145
Energy: -2.3270285466442253
Energy: -2.619429770239658
Energy: -2.5574067168170997
Energy: -2.529843639459093
Energy: -1.9183897644782817
Energy: -1.873833747910274
Energy: -2.363487004816939
Energy: -1.1924219906082951

minimum gb energy = -3.6087083104135798 eV
minimum distance =  2.32666185906438 Angstroms
sigma value = 17


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

Energy: -2.9810220940158607
Energy: -2.040762246162627
Energy: -2.0450335131172843
Energy: -2.461807636592995
Energy: -2.1550831249824376
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Energy: -1.7600615777932318
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Energy: -1.5698780707954019
Energy: -3.5478189041203203
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Energy: -1.611986208251875
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Energy: -3.2584381224821026
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Energy: -2.668696911949296
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Energy: -3.16891404783389
Energy: -1.9194480794226902
Energy: -1.9910232710225018
Energy: -1.3923812290610753
Energy: -1.7970600428949015
Energy: -1.6746394962194715
Energy: -3.6717610032983568
Energy: -2.113545547448597
Energy: -2.112698067502568
Energy: -1.8255763044084952
Energy: -2.183990873980585
Energy: -2.1553345520178393
Energy: -3.592477032084784
Energy: -1.569506738542929
Energy: -1.6032267944914274
Energy: -3.1629925130031893
Energy: -1.4947822597414975
Energy: -1.8158117932929303
Energy: -3.4118288637377976
Energy: -1.8419176972246682
Energy: -1.740755200685679
Energy: -2.006939373019721
Energy: -2.0039486441839944
Energy: -3.0172412080505424
Energy: -3.3245976487488047
Energy: -1.5106048247666852
Energy: -1.7512560011050955
Energy: -1.665514480262264
Energy: -1.505393798946578
Energy: -1.5119776417105055
Energy: -2.8444234807681603
Energy: -1.834771519529079
Energy: -1.9549178630994941
Energy: -1.7863117175600134
Energy: -1.6767329030591256
Energy: -1.772442660450057
Energy: -2.8194017723676263
Energy: -1.7771848379290816
Energy: -1.7057974982801452
Energy: -1.9398925930802489
Energy: -1.7993619113621966
Energy: -1.8209973598167493
Energy: -3.2414778265222415
Energy: -2.113122261537168
Energy: -1.4183736038934
Energy: -1.999034682884766
Energy: -2.1934817927697274
Energy: -1.7382863777515156
Energy: -3.316267105752658
Energy: -1.8900869897961645
Energy: -2.232720736961537
Energy: -1.7833342980019578
Energy: -2.068756297035482
Energy: -1.92254400342653
Energy: -3.1209267202628452
Energy: -1.9180620871771283
Energy: -1.574140002318277
Energy: -1.8634860820655723
Energy: -2.0927726330980936
Energy: -1.8023602249484911
Energy: -2.664010843767481
Energy: -1.6495976443130376
Energy: -1.7577641447320944
Energy: -1.3758567616288477
Energy: -1.6688316451362046
Energy: -1.7310238998119603

minimum gb energy = -3.6717610032983568 eV
minimum distance =  2.24799483402856 Angstroms
sigma value = 17


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

Energy: -4.276321041407239
Energy: -2.780775984725888
Energy: -3.0945429326243707
Energy: -2.1497774385186554
Energy: -2.8390859781548734
Energy: -2.607269260446474
Energy: -4.312350929228961
Energy: -2.5664091641776654
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Energy: -2.7832997122821905
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Energy: -2.290992656906203
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Energy: -2.87978093501567
Energy: -2.417066785135879
Energy: -4.79503910064435
Energy: -2.843487702117292
Energy: -2.3371732770482563
Energy: -2.8384137345630513
Energy: -2.7354304023535576
Energy: -2.3746199955660745
Energy: -4.0003827975039075
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Energy: -2.8757241439045895
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Energy: -2.689912245492775
Energy: -4.46707967684808
Energy: -2.3185825062866874
Energy: -2.856767829265647
Energy: -2.25041215904456
Energy: -2.278490743001969
Energy: -2.8107502504621507
Energy: -3.852826332760593
Energy: -2.640234887620048
Energy: -2.6828771892922827
Energy: -2.4919529304894783
Energy: -2.61430711596103
Energy: -3.207905028970035
Energy: -4.883791933177423
Energy: -3.037191808090714
Energy: -3.1004062968602293
Energy: -3.9521678476731883
Energy: -2.506638068423042
Energy: -2.8838777512474523
Energy: -5.084243247736843
Energy: -2.405667188796576
Energy: -3.019237987028594
Energy: -2.741191358028724
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Energy: -1.9610100765831622
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Energy: -2.6789085836176096

minimum gb energy = -5.084243247736843 eV
minimum distance =  2.2645898125593 Angstroms
sigma value = 57


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

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Energy: -3.0924872694693875
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Energy: -3.5487191923349655
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Energy: -3.35800057780671
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Energy: -3.733856333570885
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Energy: -3.385577532508635
Energy: -3.035343063969217
Energy: -3.7843731016102216
Energy: -3.8190735832710367
Energy: -3.3278554741597204
Energy: -3.9782369395112864
Energy: -3.8516224256662506
Energy: -3.5505096866632138
Energy: -3.984047944860821
Energy: -3.6714988432895703
Energy: -3.6735651203924835
Energy: -3.245550515850867
Energy: -4.04016156594364
Energy: -3.41388559227258
Energy: -3.7607135863746852
Energy: -3.3356616750234664
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Energy: -3.8289579428079357
Energy: -3.6299757908565606
Energy: -3.0266869787716915
Energy: -3.75141349906306
Energy: -3.6297954260087777

minimum gb energy = -6.646483239853763 eV
minimum distance =  2.23855827418539 Angstroms
sigma value = 43


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

Energy: -2.345224642566074
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Energy: -2.478989160487557
Energy: -3.2241834906163427
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Energy: -2.8113076468161835
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Energy: -2.9209027830922127
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Energy: -3.5433569285916864
Energy: -2.9035680613531314
Energy: -2.9167358856034626
Energy: -2.878261851924573
Energy: -2.9581669066880414
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Energy: -2.542553181856268
Energy: -3.7643417918417206
Energy: -2.6294448919652833
Energy: -3.182734670299993
Energy: -3.548796082364613
Energy: -3.19752300004124
Energy: -2.430185178115711
Energy: -2.757251860510108
Energy: -2.893624401142141
Energy: -2.4795529839643606
Energy: -3.7475745207090223
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Energy: -3.3912172289617875
Energy: -3.1248242190121234
Energy: -1.8954004959776922
Energy: -2.694416124473423
Energy: -2.9477328450043085

minimum gb energy = -4.407848232972497 eV
minimum distance =  2.24758533709317 Angstroms
sigma value = 81


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

Energy: -0.013605257556888526
Energy: -0.036187173380756985
Energy: -0.03786715341664751
Energy: -0.012005415447455025
Energy: -0.030190226310429998
Energy: -0.038289137714924086
Energy: -0.06060394056935166
Energy: -0.012560541235625758
Energy: -0.03222700813205326
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Energy: -0.010902683137117158
Energy: -0.09859792674310974
Energy: -0.023654849101655582
Energy: -0.018899451250888738
Energy: -0.019468759295058428
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Energy: -0.03423391541550925
Energy: -0.032617676627462705
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Energy: -0.08431001558754372
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Energy: -0.03154434999233088
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Energy: -0.035203227579516126
Energy: -0.013276241732074853
Energy: -0.04295033659593355
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Energy: -0.03424065753550986
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Energy: -0.011390768832256296
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Energy: -0.06400001568553643
Energy: -0.03145870041882993
Energy: -0.03286799432173204
Energy: -0.05262090055354105
Energy: -0.06637545145080898

minimum gb energy = -0.09859792674310974 eV
minimum distance =  2.4255595748997 Angstroms
sigma value = 3


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

Energy: -3.9623299295801555
Energy: -1.8213537181573052
Energy: -1.3052110634970313
Energy: -0.5828634985905651
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Energy: -4.759671596716024
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Energy: -1.969059172678908
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Energy: -4.149495635202407
Energy: -4.208395137934064
Energy: -4.180121648180627
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Energy: -4.436765071290475
Energy: -3.988921841201029
Energy: -4.45600495899335
Energy: -3.2412528012587303
Energy: -3.8293425429336
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Energy: -2.4627376971033006
Energy: -4.0791793696875835
Energy: -4.152104893830484
Energy: -3.348164345594688
Energy: -3.9858678681466078
Energy: -3.9537015568522262

minimum gb energy = -4.759671596716024 eV
minimum distance =  2.29842557113549 Angstroms
sigma value = 67


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

Energy: -1.188556855966995
Energy: -3.7440849955856934
Energy: -5.930699876471114
Energy: 0.0580623948455927
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Energy: -4.263513525190806
Energy: -4.5172801176664725
Energy: -4.925791834851887
Energy: -5.433306457168594
Energy: -3.9559798098546852
Energy: -6.307368214867983
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Energy: -5.726211595788685
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Energy: -4.780408627523077
Energy: -4.397189048931952
Energy: -5.218323471221828
Energy: -5.27138339261628

minimum gb energy = -7.193573027211659 eV
minimum distance =  2.25635050850633 Angstroms
sigma value = 33


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

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Energy: -3.2511720625534073
Energy: -2.8147995690767877
Energy: -2.2790442599129017
Energy: -2.283789678647951
Energy: -3.935753040937262
Energy: -3.2915599747355753
Energy: -2.6498352844093596
Energy: -2.5048224451717966
Energy: -4.908840890480382
Energy: -3.177724481010519
Energy: -1.921991315681567
Energy: -2.5902440848503385
Energy: -2.768904094942161
Energy: -1.8879605236378643
Energy: -3.806005038642058
Energy: -2.9472531377225404
Energy: -2.769431591911519
Energy: -2.929107738850402
Energy: -2.7150164672200976
Energy: -2.692834637921629
Energy: -2.314494468980369
Energy: -2.7027109568585583
Energy: -0.7338544885939571
Energy: -2.181579191870074
Energy: -2.4198929312852018
Energy: -4.10482488897062
Energy: -1.81657863667095
Energy: -3.961379426016177

minimum gb energy = -5.860505271434153 eV
minimum distance =  2.2897775990828 Angstroms
sigma value = 41


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

Energy: 0.19046232306626654
Energy: -0.8260426663820453
Energy: -0.6580921229266854
Energy: -2.062157729325483
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Energy: -2.163290934233903
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Energy: -2.210320029957712
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Energy: -2.824422873492256
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Energy: -1.638897200054589
Energy: -2.3397190858434254
Energy: -1.971915396480262
Energy: -1.8713185024411387
Energy: -0.756800002744598
Energy: -1.5853830633897268
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Energy: -0.7049658379527043
Energy: -2.726552932990869
Energy: -1.794788911831335
Energy: -1.7147668365775257
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Energy: -1.8807143235844437
Energy: -2.196708758938931
Energy: -1.9904272969027146
Energy: -1.8618578687194818
Energy: -0.05643244655616231
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Energy: -2.1241440459180545
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Energy: -2.1524839550533623
Energy: -1.6748288616115008
Energy: -2.60497449044464
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Energy: -1.6380140658157578
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Energy: -2.3540715854093768
Energy: -2.165035339959105
Energy: -2.533760693579868
Energy: -2.3096284433511265
Energy: -2.258174073954541
Energy: -2.2233830167249313
Energy: -1.9611274564488215
Energy: -2.170400012039771
Energy: -2.1472990221283816
Energy: -2.417919597408186
Energy: 0.6435842076466313
Energy: -1.4456276316050345
Energy: -2.0983471714142
Energy: -3.512597743407357
Energy: -3.0521252072791802
Energy: -2.081869123438578
Energy: -2.132516142179306
Energy: -2.3451411680409495
Energy: -1.600117009749652
Energy: -2.1450526483178183
Energy: -3.3981888697226634
Energy: -1.016973009064657
Energy: -0.7653501065706404
Energy: -3.096821303289271
Energy: -1.0217284532336108
Energy: -1.5905205361364902

minimum gb energy = -3.512597743407357 eV
minimum distance =  2.28729720032039 Angstroms
sigma value = 11


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

Energy: -1.514163556631982
Energy: -1.9408004828848708
Energy: -1.8929363334217724
Energy: -1.4610728418632253
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Energy: -2.418408567930762
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Energy: -3.2695128340527027
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Energy: -1.707984628883684
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Energy: -2.969289528655601
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Energy: -1.6784118934625554
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Energy: -2.4664311548790434
Energy: -2.8364419758656476
Energy: -2.050646292999651
Energy: -2.798958603851293
Energy: -1.9810184196805778
Energy: -3.0493741940605315
Energy: -2.7714464012371387
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Energy: -1.7659999006277352
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Energy: -2.795522000171742
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Energy: -2.372727911877221
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Energy: -2.569632041208344
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Energy: -1.8255088511704447
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Energy: -3.040939140863594
Energy: -1.6909610576896468
Energy: -1.8822285563822752
Energy: -2.3051635358036036
Energy: -1.269110798165867
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Energy: -2.9201422389832348
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Energy: -2.875723863626724
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Energy: -1.6522609404470012
Energy: -2.289207556976316
Energy: -1.7802631761196146
Energy: -2.244181907120609
Energy: -1.6983554931354314
Energy: -2.073003917617708
Energy: -2.7857421911253044
Energy: -2.139901871631131
Energy: -1.8517490032805939
Energy: -2.6464902761608657
Energy: -3.0614478680371398
Energy: -1.4277681411194802
Energy: -3.040588487358814
Energy: -2.631366044092864
Energy: -2.214418036274392
Energy: -2.4239358461201537
Energy: -1.84332493886444
Energy: -2.2148495750746116
Energy: -2.248507483705956
Energy: -1.432956787250452

minimum gb energy = -3.8666458101426917 eV
minimum distance =  2.2695696072853 Angstroms
sigma value = 57


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

Energy: 1.332849208461652
Energy: -3.2811022024154206
Energy: 0.6139795381910738
Energy: -1.847281819774902
Energy: -3.1958730179742596
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Energy: -3.5952976471553204
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Energy: -0.38078786628504063
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Energy: -0.49006356255016476
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Energy: -3.061157809955088
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Energy: -2.891303937607796
Energy: -1.0138074018970835
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Energy: -3.4962416536680263
Energy: 0.632950049905705
Energy: -0.26381896239547065
Energy: -3.348019398997504
Energy: -0.4614349698435899
Energy: -0.262188018016817
Energy: -1.7602359531291685
Energy: 0.8983239785989326
Energy: -0.1938128569715443
Energy: 0.1504210416137591
Energy: -2.1399609396232497
Energy: -0.2627802637197399
Energy: -2.125909133447459
Energy: 0.647478703861139
Energy: -3.131230454473688
Energy: -4.699511613736156
Energy: -0.1973836148780891
Energy: -2.0139161393947482
Energy: -3.5368441907852173

minimum gb energy = -4.699511613736156 eV
minimum distance =  2.23740956846017 Angstroms
sigma value = 9


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

Energy: -1.6378698634820072
Energy: -3.4427280840508767
Energy: -0.792953072479715
Energy: -1.7801888606717755
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Energy: -3.6954824265741593
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Energy: -1.9654942465602512
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Energy: -1.8812324075938338
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Energy: -4.0790882424453425
Energy: -2.7745959672932705
Energy: -3.5223275999973347
Energy: -4.650949374163245
Energy: -3.402497702826372
Energy: -1.8947270000983825
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Energy: -4.741853819207828
Energy: -2.395399668155569
Energy: 0.49664363044139054
Energy: -3.4505260185285365
Energy: -2.790117974028093

minimum gb energy = -5.425430104422087 eV
minimum distance =  2.27542226872736 Angstroms
sigma value = 27


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

Energy: 1.5279897656640795
Energy: -4.603978272459108
Energy: -3.865145807224168
Energy: -3.5541051222778033
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Energy: -3.292320141249833
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Energy: -3.8511873496058975
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Energy: -2.755819658039038
Energy: -4.312164771340608
Energy: -2.2345023771792865
Energy: -3.333097553536752
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Energy: -2.636671378286829
Energy: -1.978735908705951
Energy: -3.7984966901535184
Energy: -3.5419305584491485
Energy: -2.121438400439815
Energy: 0.946351570980786
Energy: -3.3706729175572105
Energy: -0.8394742563052685
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Energy: -3.6728334139337258
Energy: -2.5454039952286367
Energy: 0.9400679818824749
Energy: -1.860155038280679
Energy: -3.43921688659658
Energy: -3.686865294384183
Energy: -2.465769194532399
Energy: -3.2894933340639008
Energy: 0.9201795456489291
Energy: -3.4452492828079477
Energy: -3.293788281956556
Energy: -2.4834075306337096
Energy: -2.050606316359871
Energy: -1.6113779110089237
Energy: 1.001833730357805
Energy: -2.588939552514265
Energy: -4.500318457147042
Energy: -2.565881338340298
Energy: -2.1288976708977265
Energy: -3.733618601142319
Energy: 0.8636030990701395
Energy: -2.591615478735115
Energy: -4.036275652390651
Energy: -4.024974592934775
Energy: -2.4529738403766275
Energy: -3.021743225714809

minimum gb energy = -4.994085456598531 eV
minimum distance =  2.24842029887694 Angstroms
sigma value = 19


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

Energy: -1.1369899687248153
Energy: -0.8322365364751358
Energy: -0.48497358151802467
Energy: -1.7249594463453055
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Energy: -1.3268780460960263
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Energy: -1.9500470166434312
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Energy: -1.5016721899527177
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Energy: -1.7900970909682357
Energy: -1.597323059218467
Energy: -1.212800263204044
Energy: -1.6256750824521393
Energy: -1.3021433864765215
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Energy: -2.0411122476568524
Energy: -1.408632032788415
Energy: -1.5528999019207061
Energy: 0.7223988315948644
Energy: -2.915571076898932
Energy: -1.3568249878005065
Energy: -1.4299106611525054
Energy: -3.1613502151720825
Energy: -0.38122697815049505
Energy: -1.4266803587034969
Energy: -2.663106747456135
Energy: -1.4384242271285517
Energy: -1.2132046750203351
Energy: -0.9953516331356185
Energy: -1.4821530128898441
Energy: -1.251754534282046
Energy: -1.3546501876326424
Energy: -1.3390642133819355
Energy: -1.0767320842593777
Energy: -1.3310805871005735
Energy: -1.2317329018007075
Energy: -1.438908641132925
Energy: -1.4948839167346308
Energy: -1.3761074747468944
Energy: -1.238334710011394
Energy: -1.7985445783274088
Energy: -1.565065987138234
Energy: 0.7833702795666574
Energy: -2.183578559007291
Energy: -1.515605262128681
Energy: -1.4826709874810557
Energy: -1.2355384585785707
Energy: -1.6487226277925864
Energy: -2.1946410862004457
Energy: -1.8042998038532712
Energy: -1.3599576273835237
Energy: -1.2820600824719754
Energy: -1.6228976850861805
Energy: -1.336356956770327
Energy: 0.8376098385446881
Energy: -1.515035066575302
Energy: -1.2578499953736482
Energy: -0.8086546812888606
Energy: -1.618394424626933
Energy: -2.692515690900324

minimum gb energy = -3.1613502151720825 eV
minimum distance =  2.28116101497003 Angstroms
sigma value = 101


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

Energy: -1.667422883921689
Energy: -0.9436179778984641
Energy: -0.5755476040304617
Energy: -2.5123504038507645
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Energy: -0.9129588046615145
Energy: -0.9594535252772453
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Energy: -1.8790809593141058
Energy: -1.6905688640390417
Energy: -2.925950491647549
Energy: -2.8350722874745533
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Energy: -2.560747528489394
Energy: -1.0329230267448397
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Energy: -2.2113024014123495
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Energy: -1.8882967674730788
Energy: -0.8981471417130937
Energy: 0.6575091132561033
Energy: -1.2163241640285096
Energy: -0.9297974058450139
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Energy: -0.8242637419558808
Energy: -3.3755762827735674
Energy: -1.3204284839035652
Energy: -1.0734077416231091
Energy: -1.9967216394126155
Energy: -1.1115398376813863
Energy: -1.0960332442455714
Energy: 0.785280695630193
Energy: -1.7684771710370921
Energy: -1.629062198833311
Energy: -1.2517645900697234
Energy: -1.0687892077551835
Energy: -1.0722817016287696
Energy: 0.707846155136345
Energy: -0.8173574838888998
Energy: -1.0778140268822634
Energy: -0.7395392565294722
Energy: -1.2139662050336222
Energy: -1.0000837022471376
Energy: -1.2445726321265167
Energy: -1.2105666963615853
Energy: -1.4149628792308624
Energy: -0.8441909389053236
Energy: -1.21801498970239
Energy: -1.3167790755159543
Energy: 0.8379076577851279
Energy: -0.91169016118039
Energy: -1.1929243102981024
Energy: -0.7894948947345597
Energy: -0.9616252172496228
Energy: -1.20326359738956
Energy: 0.9391628262619542
Energy: -2.757519908434596
Energy: -1.0769776724639832
Energy: -2.354459329269992
Energy: -0.8998666919048086
Energy: -1.2363269438650266
Energy: 0.7937117183868841
Energy: -1.9895954533964593
Energy: -1.6424669989062175
Energy: -0.6935933104356693
Energy: -2.8444377134791745
Energy: -1.5247627581342298

minimum gb energy = -4.0991288817862985 eV
minimum distance =  2.24538349182543 Angstroms
sigma value = 33


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

Energy: 0.01710701755516245
Energy: -1.3191803261865915
Energy: -1.4033722242308306
Energy: 0.018760508643509827
Energy: -1.1837659742777396
Energy: -1.2322863019783117
Energy: 0.017614900855409836
Energy: -2.3307627532318533
Energy: -2.328719872114412
Energy: -1.5050951072866763
Energy: -4.166972243441566
Energy: -0.8957620012220272
Energy: 1.1517852162656095
Energy: -3.1152239653192284
Energy: -3.2991957346152203
Energy: -1.4495935737675882
Energy: -3.437826693603231
Energy: -1.0409330114668962
Energy: 0.3187581154216991
Energy: -3.9526235258375455
Energy: -2.5535324605568435
Energy: -1.5070744598730634
Energy: -2.33981872128169
Energy: -0.8957619837620583

minimum gb energy = -4.166972243441566 eV
minimum distance =  2.38203261572971 Angstroms
sigma value = 1