Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.176897808909416
cohesive_energy=7.383914292925778
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.02418639156953614
Energy: 0.43013123609171067
Energy: 0.4301312360884625
Energy: 0.02418639157061889
Energy: 0.4301312360873797
Energy: 0.4301312360884625
Energy: 0.024186391568453383
Energy: 0.4301312360938762
Energy: 0.4301312360895451
Energy: 0.024186391568453383
Energy: 0.42689763447244206
Energy: 0.02973312407133708
Energy: 0.42662576843344596
Energy: 0.42689763447244206
Energy: 0.029733124070254316
Energy: 0.42662565279131887
Energy: 0.4268976344713593
Energy: 0.02973312407133708
Energy: 0.4266260253859339
Energy: 0.42689763447244206
Energy: 0.5086205357860183
Energy: 0.855346170523079
Energy: 0.8553461705219965
Energy: 1.625225449910071
Energy: 0.3380862013084803
Energy: 0.25218486725825084
Energy: 1.0325498607579608
Energy: 0.024815489508379113
Energy: 0.25218486725825084
Energy: 1.0325612546314902
Energy: 0.42689763447352486
Energy: 0.4266258511364911
Energy: 0.029733124070254316
Energy: 0.42689763447244206
Energy: 0.4266259582124015
Energy: 0.02973312407133708
Energy: 0.42689763447352486
Energy: 0.42662598302353655
Energy: 0.029733124070254316
Energy: 0.42689763447352486
Energy: 0.02418639156953614
Energy: 0.43013123609171067
Energy: 0.4301312360895451
Energy: 0.024186391568453383
Energy: 0.4301312360895451
Energy: 0.4301312360873797
Energy: 0.024186391568453383
Energy: 0.43013123609171067
Energy: 0.4301312360906279
Energy: 0.02418639156953614
Energy: 0.42689763447352486
Energy: 0.02973312407133708
Energy: 0.4266257655112869
Energy: 0.42689763447244206
Energy: 0.02973312407133708
Energy: 0.42662578259499606
Energy: 0.42689763447352486
Energy: 0.029733124070254316
Energy: 0.42662603766649254
Energy: 0.42689763447352486
Energy: 1.032555586714308
Energy: 0.7055948256588661
Energy: 0.5498694124723429
Energy: 1.0327421509978025
Energy: 0.3380862013084803
Energy: 0.25218486726041633
Energy: 1.0325794468556282
Energy: 0.02481548950946186
Energy: 0.25218486726041633
Energy: 1.032563748317107

minimum gb energy = 0.024186391568453383 eV
minimum distance =  2.63857661835166 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.9983731703226558
Energy: 1.0012227931554365
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Energy: 1.0422882316585826
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Energy: -0.952793303096
Energy: -0.8765244605859969
Energy: 0.6940465453264243
Energy: -0.9527933030747823

minimum gb energy = -0.9527933031039082 eV
minimum distance =  2.75179090469699 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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minimum gb energy = 0.7090280424315875 eV
minimum distance =  2.62052793107085 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.6700673868579107
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Energy: 0.9821273160266684
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Energy: 1.0628912891862767
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Energy: 0.9821273160237484
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Energy: 1.008672534481514
Energy: 0.9961340565374486
Energy: 1.039560107713543
Energy: 1.0086725344800804
Energy: 0.9961340565374486
Energy: 1.0395601077179497
Energy: 1.0086725344830005
Energy: 0.996134056535962
Energy: 1.039560107713543
Energy: 0.9034086549955678
Energy: 1.0810234493555257
Energy: 1.1061246813884669
Energy: 0.9034086549955678
Energy: 1.0789425531807768
Energy: 1.1061246813899532
Energy: 0.9034086549970012
Energy: 1.0810234493759654
Energy: 1.1061246813884669
Energy: 0.9034086549955678
Energy: 1.208188761942361
Energy: 1.0393604252945166
Energy: 1.1379540894214197
Energy: 1.2081887619408744
Energy: 1.0359820126649089
Energy: 1.1379540894228533
Energy: 1.2081887619437943
Energy: 1.03936042529595
Energy: 1.1379540894228533
Energy: 1.208188761945281
Energy: 0.9862103311106757
Energy: 0.9896444292249275
Energy: 1.0306960015355207
Energy: 0.9862103311311156
Energy: 0.9896444292249275
Energy: 1.0306960015355207
Energy: 0.9862103311034024
Energy: 0.9896444292249275
Energy: 1.0306960015355207
Energy: 0.9862103311150823
Energy: 1.0658726989533478
Energy: 1.1746480945421998
Energy: 1.110755941033726
Energy: 1.0658726989518614
Energy: 1.1647818699181112
Energy: 1.110755941030859
Energy: 1.0658726989518614
Energy: 1.1746480945436861
Energy: 1.1107559410352126
Energy: 1.065872698950428
Energy: 1.1184943078278287
Energy: 1.0668847853393657
Energy: 1.3310251394608392
Energy: 1.118494307864302
Energy: 1.0665747694214096
Energy: 1.3310251394608392
Energy: 1.1184943079109684
Energy: 1.0668847853408523
Energy: 1.3310251394608392
Energy: 1.272534491896931
Energy: 0.9859561254885923
Energy: 1.0377181444134251
Energy: 1.000684143508167
Energy: 0.9859561254885923
Energy: 1.0380792527512517
Energy: 1.000684143505247
Energy: 0.9859561254856724
Energy: 1.0377181444148584
Energy: 1.0006841434862406
Energy: 0.9859561254900789

minimum gb energy = 0.3327781819978668 eV
minimum distance =  2.71526804308578 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.3445152008194587
Energy: 1.196775942057681
Energy: 1.1962298617360125
Energy: 1.2687672571547055
Energy: 1.196786338261273
Energy: 1.1962298617350102
Energy: 1.3445152008209627
Energy: 1.1967788092538416
Energy: 1.196229861737015
Energy: 1.2687672571547055
Energy: 1.241966420317242
Energy: 1.2337326830232018
Energy: 1.2346723328726417
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Energy: 1.2419664203162397
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Energy: 1.2419664203182446
Energy: 1.1911204038594885
Energy: 1.2030147528186028
Energy: 1.207490365632882
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Energy: 1.203014752819104
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Energy: 1.1995908312401573
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Energy: 1.2008977066002915
Energy: 1.2811015697409318
Energy: 1.240279988591632
Energy: 1.2008977066012938
Energy: 1.281101569738927
Energy: 1.2999418339212692
Energy: 1.2008977066017952
Energy: 1.281101569738927
Energy: 1.2402799885926346
Energy: 1.265985182349097
Energy: 1.1738715119518344
Energy: 1.256049559722658
Energy: 1.1842148040065636
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Energy: 1.2210104135304287
Energy: 1.2659851823495982
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Energy: 1.256049559732637
Energy: 1.1842148040065636
Energy: 1.2561975819588251
Energy: 1.2404260244220033
Energy: 1.1905565139489032
Energy: 1.2561975819598274
Energy: 1.2404260244189962
Energy: 1.1905565139489032
Energy: 1.2561975819623337
Energy: 1.2404260244194976
Energy: 1.190556513948402
Energy: 1.256197581962835
Energy: 1.2164077631580192
Energy: 1.205957538213182
Energy: 1.1983727250472316
Energy: 1.2164077631570167
Energy: 1.2059575382141845
Energy: 1.1983727250342
Energy: 1.2164077631560144
Energy: 1.2059575382141845
Energy: 1.1983727250367062
Energy: 1.2164077631585204
Energy: 1.217227945316887
Energy: 1.250065943038043
Energy: 1.2410471436152177
Energy: 1.2172279453163857
Energy: 1.250065943225909
Energy: 1.2410471436162203
Energy: 1.2172279453178894
Energy: 1.2500659432710186
Energy: 1.2410471436152177
Energy: 1.2172279453213979
Energy: 1.268767257153703
Energy: 1.196794355994489
Energy: 1.1962298617355116
Energy: 1.2687672571542041
Energy: 1.1967929528989987
Energy: 1.1962298617355116
Energy: 1.268767257153703
Energy: 1.1967760139721029
Energy: 1.1962298617355116
Energy: 1.2687672571542041

minimum gb energy = 1.1738715119308287 eV
minimum distance =  2.69463063083704 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

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Energy: 1.0417973570942247
Energy: 1.0405618338474414
Energy: 1.4615368193608076
Energy: 1.0417973571000234
Energy: 1.0405618338513307
Energy: 1.0261287727923845
Energy: 1.0417973571020034
Energy: 1.0405618338513307
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Energy: 1.0177864808858041
Energy: 0.8872562501085
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Energy: 0.9242391883609193
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Energy: 0.9741906338457704
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Energy: 0.9778788136130889
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Energy: 1.0422820275367422
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Energy: 0.9674521746243147
Energy: 1.1186781850664578
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Energy: 0.9480416137812308
Energy: 0.8872783910098196
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Energy: 0.9967619700035077
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Energy: 0.9967619701745696
Energy: 0.9745018154916797
Energy: 1.0166133734486134
Energy: 1.0290620079804291
Energy: 0.9230919750002614
Energy: 1.0166133734486134
Energy: 1.02906200797654
Energy: 0.9745018154819208
Energy: 1.0166133734505227
Energy: 1.0290620079784492
Energy: 0.923091974998352
Energy: 1.0594388000130106
Energy: 0.8844155978748562
Energy: 1.0103540587580802
Energy: 1.0594388000110306
Energy: 0.8844155978748562
Energy: 1.0103540587561004
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Energy: 0.9979439164817446
Energy: 0.9386981504904774
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Energy: 0.9386981504924574
Energy: 0.9250905752377536
Energy: 0.9979439164797644
Energy: 1.049318243974339
Energy: 1.0275583946093565
Energy: 0.9133590764358372
Energy: 1.049318243974339
Energy: 1.0275583946132458
Energy: 0.9128075824936455
Energy: 1.0493182439782283
Energy: 1.0275583946152258
Energy: 0.9133590764339279
Energy: 1.0493182439724298
Energy: 0.9287030496051104
Energy: 1.1497312636102832
Energy: 0.9862131088893561
Energy: 0.9287030496089997
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Energy: 0.9862131088874467
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Energy: 0.9862131088893561
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Energy: 0.9101073570112869
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Energy: 1.002535684950052
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Energy: 0.9367637479741265
Energy: 1.0025356849441827
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Energy: 0.9367637479761066
Energy: 1.0025356849461626
Energy: 0.9101073570073975
Energy: 0.9363162037378304
Energy: 1.0908570205770485
Energy: 1.0027304931144003
Energy: 0.9363162037359212
Energy: 1.0908570205809378
Energy: 1.0027304931163805
Energy: 0.9363162037320317
Energy: 1.0908570205809378
Energy: 1.0027304931182897
Energy: 0.9363162037378304
Energy: 1.0294841818966733
Energy: 0.8897456528526256
Energy: 0.9761832160064967
Energy: 1.0294841818966733
Energy: 0.8897456528526256
Energy: 0.9761832160045166
Energy: 1.029484181892784
Energy: 0.8897456528526256
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Energy: 1.0294841818966733
Energy: 1.0449203228584274
Energy: 1.0372645740401814
Energy: 0.9231630669513867
Energy: 1.044920322856518
Energy: 1.0372645740401814
Energy: 0.9231630669455879
Energy: 1.044920322856518
Energy: 1.0372645740420905
Energy: 0.9231630669513867
Energy: 1.044920322856518
Energy: 0.88661923027875
Energy: 1.1764297515026132
Energy: 1.0016762687273546
Energy: 0.88661923028073
Energy: 1.1699409127010891
Energy: 1.001676268729264
Energy: 0.8866192302768406
Energy: 1.1764297515065025
Energy: 1.0016762687331533
Energy: 0.8866192302729512
Energy: 0.8917748069235396
Energy: 0.9626163454542946
Energy: 0.9466446301762027
Energy: 0.8917748069196503
Energy: 0.9604105463321987
Energy: 0.945936895323812
Energy: 0.8917748069157608
Energy: 0.9626163453493524
Energy: 0.9466446301723135
Energy: 0.8917748069196503
Energy: 0.9224319146295479
Energy: 0.9218661222175007
Energy: 1.005211648062608
Energy: 0.9224319146275679
Energy: 0.9218212793617885
Energy: 1.0052116480606987
Energy: 0.9224319146295479
Energy: 0.9218661222194807
Energy: 1.005211648051011
Energy: 0.9224319146295479
Energy: 1.0795917355797395
Energy: 0.910843955547479
Energy: 1.0366989531062558
Energy: 1.0795917355700513
Energy: 0.910599153529897
Energy: 1.0366989531003865
Energy: 1.07959173557585
Energy: 0.9108439555455696
Energy: 1.0366989531003865
Energy: 1.0795917355739408
Energy: 0.9706453433644415
Energy: 1.0518642618845229
Energy: 0.9079719624717898
Energy: 0.9706453422953596
Energy: 1.0733928275460851
Energy: 0.9079719624698098
Energy: 0.9706453435082776
Energy: 1.04504340945908
Energy: 0.9079719624717898
Energy: 0.9706453433061717

minimum gb energy = 0.8844155978748562 eV
minimum distance =  2.72296233103407 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.047671054066711
Energy: 0.4755278116210241
Energy: 0.47945555194290107
Energy: 0.708154867454716
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Energy: 0.47945555194290107
Energy: 1.047671054066711
Energy: 0.4755278116187156
Energy: 0.47945555194290107
Energy: 0.708154867454716
Energy: 0.5585842184280532
Energy: 0.48005908981958945
Energy: 0.617764330391324
Energy: 0.6377003524512497
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Energy: 0.6097198418149951
Energy: 0.5586896570467184
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Energy: 0.6377003524489413
Energy: 0.6113139370253814
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Energy: 0.5426525984687236
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Energy: 0.7266828818149202
Energy: 0.65947378850779
Energy: 0.7322421602523959
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Energy: 0.5230948782216893
Energy: 0.6892545082309823
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Energy: 0.6594737885054814
Energy: 0.7322421602547043
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Energy: 0.8253191831722915
Energy: 0.41615066727712874
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Energy: 0.4161506672748203
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Energy: 0.6658226431701596
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Energy: 0.47548064169363746
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Energy: 0.47548064169594595
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Energy: 0.5444275600504792
Energy: 0.4829571654711464
Energy: 0.4801862440460506
Energy: 0.5422982277136057
Energy: 0.4143091886617294
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Energy: 0.5444275600504792
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Energy: 0.48018624404374227
Energy: 0.5422982277136057
Energy: 0.7470768225993524
Energy: 0.776287643938695
Energy: 0.47387833108708927
Energy: 0.7470768226039693
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Energy: 0.47387833108708927
Energy: 0.7470768226085862
Energy: 0.776287643938695
Energy: 0.47387833108708927
Energy: 0.7470768226155114
Energy: 0.713426439390022
Energy: 0.4755278116210241
Energy: 0.47945555194290107
Energy: 0.5405060820717238
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Energy: 0.47945555194290107
Energy: 0.7134264393923304
Energy: 0.4755278116187156
Energy: 0.47945555194290107
Energy: 0.5405060820717238
Energy: 0.7919510535977601
Energy: 0.4800590898218979
Energy: 0.6888586714197874
Energy: 0.6377003524512497
Energy: 0.48005908981958945
Energy: 0.5658925410482402
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Energy: 0.4800590898218979
Energy: 0.6888586714197874
Energy: 0.6377003524489413
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Energy: 0.4778100281139024
Energy: 0.41430961721592197
Energy: 0.5405883685334782
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Energy: 0.47893789186075497
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Energy: 0.4143096172113051
Energy: 0.5405883685311699
Energy: 0.8064324939618468
Energy: 0.4789326958466627
Energy: 0.6902989265696075
Energy: 0.8064324939595382
Energy: 0.4789326958489711
Energy: 0.6902989265742243
Energy: 0.8064324939572298
Energy: 0.4789326958489711
Energy: 0.6902989265742243
Energy: 0.8064324939572298
Energy: 0.5120335422448076
Energy: 0.4938180293551533
Energy: 0.47861716399566223
Energy: 0.5120335422494244
Energy: 0.4938180293551533
Energy: 0.41625464956753266
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Energy: 0.4938180293551533
Energy: 0.4786171640002791
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Energy: 0.7266828817710598
Energy: 0.6424662957070886
Energy: 0.7322421602523959
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Energy: 0.6892545082309823
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Energy: 0.7322421602547043
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Energy: 0.5073250460504256
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Energy: 0.5073250460481171
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Energy: 0.5073250460481171
Energy: 0.8253191831584408
Energy: 0.47875663183866085
Energy: 0.4760408465006851
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Energy: 0.5514202061030474
Energy: 0.4760408465006851
Energy: 0.8253191832599702
Energy: 0.47875663183866085
Energy: 0.47604084650299355
Energy: 0.8253191837722345
Energy: 0.6658226431701596
Energy: 0.6826080749034429
Energy: 0.47548064169363746
Energy: 0.573037714645536
Energy: 0.7559240341383984
Energy: 0.47548064169594595
Energy: 0.6658226431701596
Energy: 0.6826080749057514
Energy: 0.47548064169594595
Energy: 0.573037714645536
Energy: 0.611492553225672
Energy: 0.5514522753153547
Energy: 0.4801862440483591
Energy: 0.6089448700744917
Energy: 0.5411526397088995
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Energy: 0.794339408246535
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Energy: 0.47387833108939775
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Energy: 1.0476710540644025
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Energy: 0.708154867454716
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Energy: 0.47945555194290107
Energy: 1.0476710540644025
Energy: 0.4755278116187156
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Energy: 0.708154867454716
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Energy: 0.48005908981958945
Energy: 0.617764330391324
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Energy: 0.6097198418149951
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Energy: 0.5485484700047621
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Energy: 0.6085015365194779
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Energy: 0.7558664585165596
Energy: 0.8064324939595382
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Energy: 0.6902989265742243
Energy: 0.8064324939572298
Energy: 0.47893269585127957
Energy: 0.7558664585165596
Energy: 0.8064324939572298
Energy: 0.5120335422448076
Energy: 0.4938180293551533
Energy: 0.5510412292219428
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Energy: 0.4938180293551533
Energy: 0.47860498752506225
Energy: 0.5120335422494244
Energy: 0.4938180293551533
Energy: 0.5510412292196344
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Energy: 0.7266828818818231
Energy: 0.65947378850779
Energy: 0.7322421602523959
Energy: 0.7266828819164497
Energy: 0.5230948782101472
Energy: 0.6892545082309823
Energy: 0.7266828818287709
Energy: 0.6594737885031731
Energy: 0.7322421602547043
Energy: 0.7266828817987612
Energy: 0.5073250460481171
Energy: 0.6907609257176226
Energy: 0.6411188526184605
Energy: 0.5073250460481171
Energy: 0.6907609257176226
Energy: 0.6411188528469121
Energy: 0.5073250460481171
Energy: 0.6907609257176226
Energy: 0.6411188581308928
Energy: 0.5073250460481171
Energy: 0.8253191832023012
Energy: 0.41615066727712874
Energy: 0.4760408465006851
Energy: 0.8253191837376078
Energy: 0.47880365105478434
Energy: 0.47604084650299355
Energy: 0.8253191834676461
Energy: 0.4161506672748203
Energy: 0.47604084650299355
Energy: 0.8253191839568258
Energy: 0.6658226431701596
Energy: 0.6826080749034429
Energy: 0.47548064169363746
Energy: 0.6658226431678512
Energy: 0.6826080749034429
Energy: 0.47548064169594595
Energy: 0.6658226431701596
Energy: 0.6826080749034429
Energy: 0.47548064169594595
Energy: 0.6658226431701596
Energy: 0.5444275600504792
Energy: 0.4829571654711464
Energy: 0.4801862440483591
Energy: 0.5422982277159141
Energy: 0.41430918865942096
Energy: 0.48018624404374227
Energy: 0.5444275600481707
Energy: 0.48295716546883793
Energy: 0.48018624404374227
Energy: 0.5422982277136057
Energy: 0.7470768225924691
Energy: 0.776287643938695
Energy: 0.47387833108708927
Energy: 0.747076822597086
Energy: 0.776287643938695
Energy: 0.47387833108939775
Energy: 0.7470768226039693
Energy: 0.776287643938695
Energy: 0.47387833108939775
Energy: 0.7470768226085862

minimum gb energy = 0.41430918865942096 eV
minimum distance =  2.7022591482534 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.8483838287883656
Energy: 0.8765999353878016
Energy: 0.8765688626416673
Energy: 0.8378939510544104
Energy: 0.8765999353890918
Energy: 0.8765688626442019
Energy: 0.8483838287845867
Energy: 0.8765999353890918
Energy: 0.8765688626429116
Energy: 0.8378939510506317
Energy: 0.8746635182907574
Energy: 0.8710034920300873
Energy: 0.8636889348107755
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Energy: 0.8636889348069966
Energy: 0.8746635182869326
Energy: 0.8710034920300873
Energy: 0.8636889348120658
Energy: 0.8746635182882229
Energy: 0.6960227623779593
Energy: 0.8684365354128265
Energy: 0.8787359312126789
Energy: 0.8415800683287209
Energy: 0.8684365354102919
Energy: 0.8570478603644751
Energy: 0.8415800683211173
Energy: 0.8684365354052228
Energy: 0.8570478603682999
Energy: 0.8415800683173386
Energy: 1.0017418066964092
Energy: 0.8696777377049227
Energy: 1.084271094795384
Energy: 1.0017418066976993
Energy: 0.8696777377087016
Energy: 1.0842710947916052
Energy: 1.0017418066964092
Energy: 0.8696777377087016
Energy: 1.0842710947916052
Energy: 1.0017418066976993
Energy: 0.8541127671036184
Energy: 0.857433413275399
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Energy: 0.8787005890623668
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Energy: 0.8853733855767181
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Energy: 0.8750841646685307
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Energy: 0.8708888444095131
Energy: 0.9232243764316655
Energy: 1.0314938904323125
Energy: 0.8708888444120475
Energy: 0.9246514771062447
Energy: 1.0321119319062775
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Energy: 0.9232243764329098
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Energy: 0.8679167530502488
Energy: 0.8784256379976718
Energy: 0.6660294587123714
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Energy: 0.8679167530438896
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Energy: 0.8679167530464241
Energy: 0.8707986477924874
Energy: 0.9471430001644305
Energy: 0.8934573607209191
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Energy: 0.8707986477975563
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Energy: 0.8707986477912432
Energy: 0.8782145897122279
Energy: 0.8121300591165309
Energy: 0.8471628078831532
Energy: 0.8782145897109837
Energy: 0.8121300591190653
Energy: 0.8471628078831532
Energy: 0.8782145897096935
Energy: 0.8121300591203557
Energy: 0.8471628078856877
Energy: 0.8782145897096935
Energy: 0.8676906741707715
Energy: 0.8468242112014815
Energy: 0.8700658141896135
Energy: 0.8676906741694813
Energy: 0.8468242112001915
Energy: 0.8700658141908576
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Energy: 0.8543708456716582

minimum gb energy = 0.5624468197077235 eV
minimum distance =  2.70538374899715 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.24491929401275
Energy: 1.2373535462766792
Energy: 1.2367650455202284
Energy: 1.2449192940144274
Energy: 1.2373535462766792

minimum gb energy = 1.221210398843177 eV
minimum distance =  2.63772005606161 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 1.3553831507209246 eV
minimum distance =  2.65971372051201 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.537461860637914
Energy: 1.4645925931693031
Energy: 1.7078030201580072
Energy: 1.4152048957970385
Energy: 1.5576121643297434
Energy: 1.4516465269767258
Energy: 1.4152048957951784
Energy: 1.5576121643297434
Energy: 1.4516465269767258
Energy: 1.4152048957970385
Energy: 1.5576121643278835
Energy: 1.4516465269767258
Energy: 1.4152048957951784
Energy: 1.5173877336573012
Energy: 1.4428490762890314
Energy: 1.4517558638508314
Energy: 1.5173877336554413
Energy: 1.4428490762871025
Energy: 1.4517558638526915
Energy: 1.5173877336573012
Energy: 1.4428490762890314
Energy: 1.4517558638508314
Energy: 1.5173877336554413
Energy: 1.5558499382683841
Energy: 1.5850441002755262
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Energy: 1.5850441002755262
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Energy: 1.4995784729618267
Energy: 1.4273957871064387
Energy: 1.4273811851848721
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Energy: 1.4273957871064387
Energy: 1.427381185182943
Energy: 1.4995784729618267
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Energy: 1.427381185186732
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Energy: 1.4652724746873578
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Energy: 1.4652724746873578
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Energy: 1.708168886802512
Energy: 1.4643849387165495
Energy: 1.537487062270493
Energy: 1.7081688868044407
Energy: 1.4643849387165495
Energy: 1.537487062270493
Energy: 1.708168886802512
Energy: 1.4643849387146208
Energy: 1.537487062270493
Energy: 1.708168886802512
Energy: 1.455806144391947
Energy: 1.3715976379212858
Energy: 1.2906200842286126
Energy: 1.455806144391947
Energy: 1.3715976379061303
Energy: 1.2906200842286126
Energy: 1.455806144390018
Energy: 1.3715976379553854
Energy: 1.2906200842286126
Energy: 1.455806144391947
Energy: 1.4649466104177697
Energy: 1.5058138860770427
Energy: 1.5675388301487971
Energy: 1.4649466104177697
Energy: 1.5058138860713939
Energy: 1.5675388301487971
Energy: 1.4649466104177697
Energy: 1.5058138860713939
Energy: 1.5675388301487971
Energy: 1.4649466104177697
Energy: 1.617886428629311
Energy: 1.3747924683626445
Energy: 1.3733814672457405
Energy: 1.6178864286312404
Energy: 1.3747924683626445
Energy: 1.3733814672457405
Energy: 1.6178864286312404
Energy: 1.3747924683607156
Energy: 1.3733814672457405
Energy: 1.617886428629311
Energy: 1.4653581354810148
Energy: 1.5672410478202554
Energy: 1.505560477295479
Energy: 1.4653581354810148
Energy: 1.5672410478202554
Energy: 1.505560477295479
Energy: 1.4653581354810148
Energy: 1.5672410478202554
Energy: 1.5055604772936189
Energy: 1.4653581354810148
Energy: 1.455589295973116
Energy: 1.1421503554978272
Energy: 1.371428551439145
Energy: 1.455589295973116
Energy: 1.1421503554978272
Energy: 1.371428551433496
Energy: 1.455589295973116
Energy: 1.1421503554996872
Energy: 1.3714285514277784
Energy: 1.455589295973116
Energy: 1.7078030201617957
Energy: 1.537461860634125
Energy: 1.4645925931693031
Energy: 1.7078030201617957
Energy: 1.537461860637914
Energy: 1.4645925931693031
Energy: 1.707803020159867
Energy: 1.537461860636054
Energy: 1.4645925931693031
Energy: 1.707803020159867
Energy: 1.4152048957970385
Energy: 1.5576121643297434
Energy: 1.4516465269767258
Energy: 1.4152048957970385
Energy: 1.5576121643297434
Energy: 1.4516465269767258
Energy: 1.4152048957970385
Energy: 1.5576121643297434
Energy: 1.4516465269767258
Energy: 1.4152048957951784

minimum gb energy = 1.1421503554978272 eV
minimum distance =  2.61154711761913 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.5884180985558367
Energy: 1.626212539743589
Energy: 1.627066925273646
Energy: 1.5884180985606304
Energy: 1.6262125397415346
Energy: 1.6270669252739571
Energy: 1.588418098567852
Energy: 1.6262125397429041
Energy: 1.627066925273646
Energy: 1.5884180985288188
Energy: 1.6252027488729763
Energy: 1.6229920832582279
Energy: 1.627078635958192
Energy: 1.62520274887335
Energy: 1.6229920899901926
Energy: 1.6270786359565113
Energy: 1.6252027488712957
Energy: 1.622992077791576
Energy: 1.6270786359565113
Energy: 1.62520274887335
Energy: 1.624178826827404
Energy: 1.6244164818142233
Energy: 1.497551521303719
Energy: 1.6241788268294581
Energy: 1.6244164818145967
Energy: 1.497549412725272
Energy: 1.6241788268287736
Energy: 1.6244164818132272
Energy: 1.497553409288717
Energy: 1.6241788268290849
Energy: 1.4924371801094116
Energy: 1.6241965642064706
Energy: 1.624695982217778
Energy: 1.4924424583612963
Energy: 1.6241965642074665
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Energy: 1.4924383199029687
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Energy: 1.6268042664296118
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Energy: 1.6268042664296118
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Energy: 1.6262125397442735
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Energy: 1.5884180985709022
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Energy: 1.622992083511477
Energy: 1.6270786359561373
Energy: 1.6252027488722918
Energy: 1.6229920843444985
Energy: 1.6270786359568223
Energy: 1.6252027488729763
Energy: 1.6229920820244772
Energy: 1.6270786359561373
Energy: 1.625202748871607
Energy: 1.6229920824916315
Energy: 1.6244164818149078
Energy: 1.4975510969734096
Energy: 1.6241788268277153
Energy: 1.624416481813912
Energy: 1.4978708880232536
Energy: 1.6241788268304544
Energy: 1.6244164818145967
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Energy: 1.6241788268277153
Energy: 1.6244164818125426
Energy: 1.624196564206097
Energy: 1.624695982217778
Energy: 1.4924303225917974
Energy: 1.6241965642071554
Energy: 1.6246959822187739
Energy: 1.4924425183486647
Energy: 1.6241965642071554
Energy: 1.624695982220517
Energy: 1.4924463176098268
Energy: 1.6241965642074665
Energy: 1.6229348439063709
Energy: 1.6247892181446015
Energy: 1.626804266429985
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Energy: 1.6247892181449126
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Energy: 1.5884180985804892
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Energy: 1.6270786359578808
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Energy: 1.6229920810059388
Energy: 1.6270786359565113
Energy: 1.6252027488726652
Energy: 1.6229920828906799
Energy: 1.6270786359575071
Energy: 1.6252027488722918
Energy: 1.6229920953052557
Energy: 1.6270786359554528
Energy: 1.4975219711068783
Energy: 1.6241788268301434
Energy: 1.6244164818142233
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Energy: 1.6244164818135383
Energy: 1.4978889600051997
Energy: 1.6241788268290849
Energy: 1.624416481815593
Energy: 1.497866676866964
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Energy: 1.4924417171804067
Energy: 1.624196564206782
Energy: 1.6246959822191476
Energy: 1.4924396854366406
Energy: 1.6241965642071554
Energy: 1.624695982218089
Energy: 1.4924545196448966
Energy: 1.6241965642064706
Energy: 1.624695982217778
Energy: 1.624789218143917
Energy: 1.6268042664302964
Energy: 1.6229348333320246
Energy: 1.6247892181452863
Energy: 1.6268042664296118
Energy: 1.6229350410786052
Energy: 1.6247892181446015
Energy: 1.626804266429985
Energy: 1.6229350694213123
Energy: 1.6247892181446015
Energy: 1.5884180985298144
Energy: 1.6262125397429041
Energy: 1.627066925272961
Energy: 1.588418098581859
Energy: 1.6262125397412235
Energy: 1.6270669252739571
Energy: 1.588418098610247
Energy: 1.6262125397442735
Energy: 1.627066925273646
Energy: 1.5884180985466234
Energy: 1.62520274887335
Energy: 1.6229920796560844
Energy: 1.6270786359558262
Energy: 1.6252027488726652
Energy: 1.6229920821627433
Energy: 1.6270786359561373
Energy: 1.6252027488722918
Energy: 1.6229920824806747
Energy: 1.6270786359565113
Energy: 1.6252027488722918
Energy: 1.6241788268284003
Energy: 1.6244164818135383
Energy: 1.4978391640283946
Energy: 1.6241788268297694
Energy: 1.6244164818132272
Energy: 1.4975208017341242
Energy: 1.6241788268280886
Energy: 1.6244164818121687
Energy: 1.497887368674575
Energy: 1.6241788268301434
Energy: 1.4924292131331387
Energy: 1.6241965642078404
Energy: 1.624695982217778
Energy: 1.492441514845694
Energy: 1.6241965642064706
Energy: 1.624695982217778
Energy: 1.492465924111043
Energy: 1.6241965642071554
Energy: 1.6246959822212017
Energy: 1.4924966744998107
Energy: 1.6268042664302964
Energy: 1.6229349838442972
Energy: 1.624789218143917
Energy: 1.626804266429985
Energy: 1.6229349961374153
Energy: 1.6247892181446015
Energy: 1.626804266429985
Energy: 1.6229350075119127
Energy: 1.624789218143543
Energy: 1.6268042664296118
Energy: 1.6262125397415346
Energy: 1.627066925274642
Energy: 1.588418098534608
Energy: 1.626212539743589
Energy: 1.627066925273646
Energy: 1.5884180986088772
Energy: 1.6262125397422194
Energy: 1.6270669252726497
Energy: 1.5884180985633696
Energy: 1.6262125397429041
Energy: 1.622992082318441
Energy: 1.6270786359554528
Energy: 1.6252027488722918
Energy: 1.6229920883443203
Energy: 1.6270786359568223
Energy: 1.6252027488736613
Energy: 1.622992085838097
Energy: 1.6270786359558262
Energy: 1.6252027488722918
Energy: 1.6229920951013115

minimum gb energy = 1.4924292131331387 eV
minimum distance =  2.63843493838689 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.5382154401382049
Energy: 1.5245486031005229
Energy: 1.5166714491534201
Energy: 1.5013617323099613
Energy: 1.524548652439432
Energy: 1.5166714516946003
Energy: 1.5382154401382049
Energy: 1.5245486826232897
Energy: 1.516671449966372
Energy: 1.5013617323099613
Energy: 1.4844251956863488
Energy: 1.4241636036123655
Energy: 1.4161977241151344
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Energy: 1.4161977241136108
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Energy: 1.4334502322020946
Energy: 1.495632351849708
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Energy: 1.4424151809144272
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Energy: 1.4542345163933528
Energy: 1.4169757188346996
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Energy: 1.445665363099469
Energy: 1.5377022024032256
Energy: 1.5132085471156662
Energy: 1.4919852701980332
Energy: 1.5377022024032256
Energy: 1.5132085471187704
Energy: 1.4919852701980332
Energy: 1.5377022024016453
Energy: 1.51320854711719
Energy: 1.491985270201081
Energy: 1.5377022024001215
Energy: 1.4313969375408881
Energy: 1.498690900861838
Energy: 1.4877005338441454
Energy: 1.4314133378909994
Energy: 1.4986909008665226
Energy: 1.487700533836357
Energy: 1.4313969375424684
Energy: 1.498690900864942
Energy: 1.487700533837937
Energy: 1.431413337886315
Energy: 1.5150249677522667
Energy: 1.421130986320799
Energy: 1.50402240720693
Energy: 1.5150249677305376
Energy: 1.421130986317695
Energy: 1.5040224071774686
Energy: 1.5150249677553709
Energy: 1.421130986313067
Energy: 1.5040224071495314
Energy: 1.5150249679399839
Energy: 1.5947224403999338
Energy: 1.5650066095192978
Energy: 1.4538416220035875
Energy: 1.5947224403983533
Energy: 1.5650066095161934
Energy: 1.4538416220097958
Energy: 1.594722440404562
Energy: 1.5650066095161934
Energy: 1.4538416220066916
Energy: 1.5947224403999338
Energy: 1.5206121261842145
Energy: 1.4149111002185988
Energy: 1.4848119215272984
Energy: 1.5367386537266292
Energy: 1.4143187279006417
Energy: 1.4848119215241942
Energy: 1.520612126182634
Energy: 1.4149111002154946
Energy: 1.4848119215241942
Energy: 1.5367386537266292
Energy: 1.4508459596835588
Energy: 1.4191671155580097
Energy: 1.5207325210834117
Energy: 1.4508459596866627
Energy: 1.4191671155564296
Energy: 1.5207325210927243
Energy: 1.4508459596866627
Energy: 1.4191671155564296
Energy: 1.520732520934525
Energy: 1.4508459596866627
Energy: 1.5248139980031472
Energy: 1.4229046296317318
Energy: 1.4462383473761211
Energy: 1.5248139980093556
Energy: 1.4229046296255234
Energy: 1.4464000692135763
Energy: 1.5248139980031472
Energy: 1.422904629620839
Energy: 1.446238347373017
Energy: 1.524813998004671
Energy: 1.4248485563607916
Energy: 1.5373664455839806
Energy: 1.451769899016101
Energy: 1.4248485563592113
Energy: 1.5373664455808764
Energy: 1.4517698990176249
Energy: 1.4248485563607916
Energy: 1.5373664455839806
Energy: 1.4517698990145207
Energy: 1.4248485563607916
Energy: 1.508614553678789
Energy: 1.6029304538698252
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Energy: 1.4982934694981342
Energy: 1.602930453866721
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Energy: 1.5086145536881015
Energy: 1.6029304538698252
Energy: 1.5034445110722527
Energy: 1.4982934694996581
Energy: 1.5055660433330755
Energy: 1.4596304829237814
Energy: 1.434370748419897
Energy: 1.4981636563259262
Energy: 1.4596304829222573
Energy: 1.488958426054095
Energy: 1.505566043328391
Energy: 1.4596304829253617
Energy: 1.4343707473168474
Energy: 1.4981636563243461
Energy: 1.4200274550177971
Energy: 1.7356527931523662
Energy: 1.5046924185500399
Energy: 1.420027455014693
Energy: 1.7356527940289252
Energy: 1.5046924185500399
Energy: 1.420027455011589
Energy: 1.7356527959790164
Energy: 1.5046924185515638
Energy: 1.4200274550177971
Energy: 1.478912378275026
Energy: 1.4484467276476356
Energy: 1.5376662141212576
Energy: 1.47891237827813
Energy: 1.4484467276476356
Energy: 1.537666214115049
Energy: 1.47891237827813
Energy: 1.4484467276460553
Energy: 1.5376662141197337
Energy: 1.478912378276606
Energy: 1.4457331135595188
Energy: 1.6287244438123678
Energy: 1.420564656043018
Energy: 1.4457331135579385
Energy: 1.6287244438123678
Energy: 1.419716175078362
Energy: 1.4457331135610427
Energy: 1.628724443813948
Energy: 1.420564656041494
Energy: 1.4457331135579385
Energy: 1.4976917686942695
Energy: 1.5215463259213837
Energy: 1.4149910334297136
Energy: 1.4976917686958497
Energy: 1.5215463259167559
Energy: 1.4149910334266094
Energy: 1.4976917686958497
Energy: 1.52154632591986
Energy: 1.4149910334266094
Energy: 1.4976917686958497
Energy: 1.5439488043181822
Energy: 1.5380244648403865
Energy: 1.546185816846693
Energy: 1.5439488043150782
Energy: 1.5380244648388062
Energy: 1.5461858168497973
Energy: 1.5439488043166585
Energy: 1.5380244648388062
Energy: 1.546185816846693
Energy: 1.5439488043181822
Energy: 1.5281831896833555
Energy: 1.4496036028482917
Energy: 1.423208317103343
Energy: 1.5281831896864595
Energy: 1.449603602846768
Energy: 1.423208317103343
Energy: 1.528183189695772
Energy: 1.4496036028482917
Energy: 1.423208317103343
Energy: 1.5281831897019804
Energy: 1.4133979690036682
Energy: 1.5481132887697182
Energy: 1.4362719628353955
Energy: 1.4133979690067724
Energy: 1.5481132887681381
Energy: 1.4362719628555443
Energy: 1.4133979690036682
Energy: 1.548113288765034
Energy: 1.436271963015324
Energy: 1.4133979690052485
Energy: 1.4408554292396376
Energy: 1.4824267235571802
Energy: 1.4578158531475147
Energy: 1.4408554292350093
Energy: 1.4824267235602844
Energy: 1.4578158531521426
Energy: 1.4408554292381135
Energy: 1.4824267235633886
Energy: 1.4578158531459906
Energy: 1.4408554292396376
Energy: 1.5907581628824319
Energy: 1.4102218163304185
Energy: 1.4506858832355747
Energy: 1.590758162885536
Energy: 1.4102218163319424
Energy: 1.4506858832355747
Energy: 1.5907581628839556
Energy: 1.4102218163304185
Energy: 1.4506858832324703
Energy: 1.590758162885536
Energy: 1.4432928233766087
Energy: 1.7098708999427474
Energy: 1.4437796379054044
Energy: 1.4432928233781324
Energy: 1.709870899939643
Energy: 1.4437796379038246
Energy: 1.4432928233750282
Energy: 1.7098708999350147
Energy: 1.4437796379038246
Energy: 1.4432928233797129
Energy: 1.4429790244071456
Energy: 1.4153659976503397
Energy: 1.5838447280066155
Energy: 1.4429790244118303
Energy: 1.4153635976996444
Energy: 1.5838447513441587
Energy: 1.442979024427351
Energy: 1.4153659976534438
Energy: 1.5838447899226302
Energy: 1.4429790244443959
Energy: 1.4427179963269114
Energy: 1.4329928017764497
Energy: 1.4154752465054121
Energy: 1.4427179963222831
Energy: 1.432992801779554
Energy: 1.4154752465054121
Energy: 1.4427179963253873
Energy: 1.4329928017764497
Energy: 1.4154752465054121
Energy: 1.4427179963222831
Energy: 1.4626475668680214
Energy: 1.4374039618360215
Energy: 1.4431235671958076
Energy: 1.462647566872706
Energy: 1.4374039618391257
Energy: 1.4435099386344978
Energy: 1.462647566869602
Energy: 1.4374039618360215
Energy: 1.4431235671927034
Energy: 1.4626475668742296
Energy: 1.4137333765706286
Energy: 1.4107386429290816
Energy: 1.6498053734720584
Energy: 1.4137333765690485
Energy: 1.4107386429306055
Energy: 1.6498053734735818
Energy: 1.4137333765706286
Energy: 1.4107386429275013
Energy: 1.6498053734720584
Energy: 1.4137333765690485
Energy: 1.4972573041254482
Energy: 1.5394909621660617
Energy: 1.5121591011714142
Energy: 1.4972573041254482
Energy: 1.5394909621722699
Energy: 1.5121591011714142
Energy: 1.4972573041285524
Energy: 1.539490962175374
Energy: 1.5121591011621582
Energy: 1.4972573041285524

minimum gb energy = 1.389473797206125 eV
minimum distance =  2.61367199300363 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.3319747830297153
Energy: 1.5153378585529866
Energy: 1.5151415754862525
Energy: 1.33197478302915
Energy: 1.5153378585552486
Energy: 1.515141575487949
Energy: 1.33197478302915
Energy: 1.5153378585541177
Energy: 1.515141575487949
Energy: 1.33197478302915
Energy: 1.4504342801670576
Energy: 1.3049621596500247
Energy: 1.3059436607442703
Energy: 1.4504342801653611
Energy: 1.3049621596466323
Energy: 1.3059436607420083
Energy: 1.4504342801670576
Energy: 1.3049621596488938
Energy: 1.3059436607431394
Energy: 1.4504342801659267
Energy: 1.3704988189531682
Energy: 1.2899796966651715
Energy: 1.460634970102881
Energy: 1.3704988189509064
Energy: 1.2899796966663024
Energy: 1.4606349701051426
Energy: 1.3704988189526028
Energy: 1.2899796966651715
Energy: 1.4606349701034465
Energy: 1.3704988189509064
Energy: 1.457331628206371
Energy: 1.347573346551984
Energy: 1.3130434112183427
Energy: 1.4573316282086328
Energy: 1.3475733465576385
Energy: 1.3130434112183427
Energy: 1.4573316282052402
Energy: 1.3475733465582038
Energy: 1.313043411216646
Energy: 1.4573316282086328
Energy: 1.5270444362304514
Energy: 1.291662862135639
Energy: 1.4755572035272726
Energy: 1.5270444362298856
Energy: 1.2916628621322461
Energy: 1.4755572035250109
Energy: 1.5270444362304514
Energy: 1.291662862135639
Energy: 1.4755572035255764
Energy: 1.5270444362321476
Energy: 1.304519113887325
Energy: 1.4694950719309543
Energy: 1.304544460267542
Energy: 1.3045191138867598
Energy: 1.4694950719298234
Energy: 1.3045444602681076
Energy: 1.304519113885629
Energy: 1.4694950719298234
Energy: 1.3045444602664114
Energy: 1.3045191138850634
Energy: 1.3222655970319128
Energy: 1.305744267724702
Energy: 1.2943357957696735
Energy: 1.3222656024041026
Energy: 1.3057442677258329
Energy: 1.2943357957696735
Energy: 1.3222656020463783
Energy: 1.305744267724702
Energy: 1.2943357957702388
Energy: 1.3222656093137006
Energy: 1.3200285354041672
Energy: 1.548641526515269
Energy: 1.4318365553979897
Energy: 1.3200285354024708
Energy: 1.5486415265124416
Energy: 1.4318365554002515
Energy: 1.3200285354041672
Energy: 1.5486415265158344
Energy: 1.4318365553974242
Energy: 1.3200285354024708
Energy: 1.5178083214495062
Energy: 1.3050821962129107
Energy: 1.29127246156512
Energy: 1.5178083214495062
Energy: 1.3050821962140415
Energy: 1.2912724615662508
Energy: 1.5178083214472442
Energy: 1.3050821962129107
Energy: 1.2912724615645546
Energy: 1.5178083214500715
Energy: 1.4559355700422771
Energy: 1.4460276916068764
Energy: 1.494408990396881
Energy: 1.4559355700439733
Energy: 1.4460276916051802
Energy: 1.4944089903951843
Energy: 1.4559355700439733
Energy: 1.4460276916057455
Energy: 1.494408990394619
Energy: 1.4559355700456698
Energy: 1.3410607467977416
Energy: 1.3743689756886588
Energy: 1.2989917222449254
Energy: 1.3410607467960451
Energy: 1.2968990296027292
Energy: 1.2989917222460565
Energy: 1.341060746797176
Energy: 1.2968990296027292
Energy: 1.2989917222460565
Energy: 1.3410607467960451
Energy: 1.3662815165104947
Energy: 1.289886934652933
Energy: 1.3567445543775545
Energy: 1.3662815165076674
Energy: 1.2898869346540638
Energy: 1.3567445543775545
Energy: 1.3662815165099291
Energy: 1.2898869346523674
Energy: 1.3567445543775545
Energy: 1.366281516507102
Energy: 1.3387553109020298
Energy: 1.6976234951651026
Energy: 1.337549752795884
Energy: 1.338755310903726
Energy: 1.6976234951634062
Energy: 1.3375497527975806
Energy: 1.3387553109020298
Energy: 1.697623495162841
Energy: 1.3375497527953186
Energy: 1.338755310903726
Energy: 1.299450616157802
Energy: 1.3018794545592616
Energy: 1.3087933786963104
Energy: 1.299450616158933
Energy: 1.301879454560958
Energy: 1.3087933786974413
Energy: 1.299450616158933
Energy: 1.301879454559827
Energy: 1.3087933786974413
Energy: 1.2994506161583674

minimum gb energy = 1.2898869346523674 eV
minimum distance =  2.53800526523715 Angstroms
sigma value = 33