Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014972497
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22699202383842e-19, 3.8083257937189797e-19, 4.2788690493584396e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.020466031028070743
Energy: 0.0267033993622065
Energy: 0.17623638550675877
Energy: 0.1757011326654655
Energy: 0.02554243797230272
Energy: 0.022418091557180685
Energy: 0.17447550888046545
Energy: 0.17628645146000102
Energy: 0.1753872850729662
Energy: 0.024555273853089095
Energy: 0.02091607223128732
Energy: 0.17517504446830487
Energy: 0.1749605059950665
Energy: 0.17467265169802323
Energy: 0.17707362704436944
Energy: 0.17509196143470113
Energy: 0.17533572403454548
Energy: 0.17469765828230316
Energy: 0.17378681414793562
Energy: 0.17683981062566964
Energy: 0.17505645703049205
Energy: 0.024963657152160333
Energy: 0.021093160700935625
Energy: 0.17647672231869105
Energy: 0.17686705883732173
Energy: 0.17479488042946423
Energy: 0.02387083674057637
Energy: 0.021019240688264815
Energy: 0.17485661376192607
Energy: 0.17528888457434177
Energy: 0.1747260376171388
Energy: 0.02157981656285351
Energy: 0.021952037429016514
Energy: 0.17480735980446677
Energy: 0.17418468219669744
Energy: 0.1757281787621151
Energy: 0.021910006102249597
Energy: 0.021335910297078823
Energy: 0.17380475080925362
Energy: 0.17406322375862537
Energy: 0.17516176642432005
Energy: 0.1751120205517356
Energy: 0.17549562579135491
Energy: 0.022568741138564455
Energy: 0.021439068746811972
Energy: 0.17487490497339517
Energy: 0.1761108842919909
Energy: 0.17549514285415163
Energy: 0.023513573001429873
Energy: 0.17395126104991943
Energy: 0.17500097191194325
Energy: 0.1769789694359271
Energy: 0.17610956432268238
Energy: 0.021751112685129782
Energy: 0.020989728151762026
Energy: 0.17510779078508829
Energy: 1.1177087262820258
Energy: 0.1765036509613345
Energy: 0.022202262373463337
Energy: 0.02089869532475237
Energy: 0.02091747626927296
Energy: 0.17601767717323466
Energy: 0.17442056076739146
Energy: 0.17683798824218114
Energy: 0.17642516687316492
Energy: 0.020979873922284557
Energy: 0.17607717462044126
Energy: 0.17405802675774393
Energy: 0.1763299366857516
Energy: 0.1764253302398362

minimum gb energy = 0.020466031028070743 eV
minimum distance =  2.45837370960197 Angstroms
sigma value = 3


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

Energy: 1.9236745908984674
Energy: 1.738405548335323
Energy: 1.6042618909967796
Energy: 1.6004656587009285
Energy: 1.8126472488301133
Energy: 1.7543486254689933
Energy: 1.7987306861595265
Energy: 1.6004186926336479
Energy: 1.599693627604307
Energy: 1.737688317953083
Energy: 1.4602754424735271
Energy: 1.6604805707861858
Energy: 1.605857068628158
Energy: 1.4568693725481845
Energy: 1.3480577245404128
Energy: 1.3567163441102863
Energy: 1.7588712266419866
Energy: 1.6100150681618886
Energy: 1.4682179027904945
Energy: 1.6218536727321455
Energy: 1.5671345736037112
Energy: 1.6910347053048804
Energy: 1.7651754693689445
Energy: 1.3329930352845696
Energy: 1.5960754822351817
Energy: 1.325804366008858
Energy: 1.7772615765338604
Energy: 1.620846621509393
Energy: 1.5275640318578714
Energy: 1.5960591607011556
Energy: 1.5621560053091879
Energy: 1.6043083636749786
Energy: 1.5873767585213328
Energy: 1.3381675122921908
Energy: 1.5957255544312392
Energy: 1.3263926856015982
Energy: 1.6112173268514234
Energy: 1.5872662322153075
Energy: 1.459393730357431
Energy: 1.589874300038791
Energy: 1.8365673611201319
Energy: 1.5902825587378093
Energy: 1.7217608516883112
Energy: 1.8328864511798781
Energy: 1.349063757930544
Energy: 1.6617562404305353
Energy: 1.6425629568918192
Energy: 1.7225447429978291
Energy: 1.833734299860832
Energy: 1.4306065131043515
Energy: 1.6860821128043455
Energy: 1.937714831686919
Energy: 1.7368093485152918
Energy: 1.4161752779480443
Energy: 1.9603449676671376
Energy: 1.5858580285057786
Energy: 1.9425562546856363
Energy: 1.4122173291281226
Energy: 1.6136990268375109
Energy: 1.5109874494495543
Energy: 1.6291765709334418
Energy: 1.7657713035721203
Energy: 1.9071376438501604
Energy: 1.663832139292575
Energy: 1.627975797073303
Energy: 1.6290031504288491
Energy: 1.6359402301804749
Energy: 1.662579779088801
Energy: 1.6660954665266061
Energy: 1.6310964892743003
Energy: 1.623498032140218
Energy: 1.7624581441918994
Energy: 1.4839152483345375
Energy: 1.5638845481931514
Energy: 1.7346857416580999
Energy: 1.6238110463706683
Energy: 1.7483162366363516
Energy: 1.8189565846472204
Energy: 1.8061753042177622
Energy: 1.625914777078249
Energy: 1.6358683730051233
Energy: 1.4884753525142735
Energy: 1.36446941339719
Energy: 1.9042252059933897
Energy: 1.7223420047405034
Energy: 1.6355782705641486
Energy: 1.48675884122742
Energy: 1.4027183137373798
Energy: 1.748169909689688
Energy: 1.7202232906255899
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Energy: 1.6097899672318596
Energy: 1.410383070553698
Energy: 1.4284268043205095
Energy: 1.6882587802910114
Energy: 1.470767063619837
Energy: 1.6060641252525198
Energy: 1.4110833723866574
Energy: 1.4389591784707514
Energy: 1.5865600693398114
Energy: 1.7469454686510777
Energy: 1.4132159736484464
Energy: 1.6073664529792595
Energy: 1.4186653956620254
Energy: 1.7579318312257883
Energy: 1.5832407730455487
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Energy: 1.7590986468000207
Energy: 1.8801540632672937
Energy: 1.5153084090374347
Energy: 1.4437172889159566
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Energy: 1.730099091007129
Energy: 1.6790424120117804
Energy: 1.3416369505559396
Energy: 1.4437884800697207
Energy: 1.8623121072306288
Energy: 1.6949288944915537
Energy: 1.7703562398398214
Energy: 1.835422946005794
Energy: 1.768514614491365
Energy: 1.9350323396633846
Energy: 1.5867333163829596
Energy: 1.6107578389902637
Energy: 1.832517308772065
Energy: 1.6419948063512244
Energy: 1.9303005605690295
Energy: 1.6732175057202614
Energy: 1.519833663370028
Energy: 1.5380308383425139
Energy: 1.6412165663022948
Energy: 1.7781314938256358
Energy: 1.7666173161758307
Energy: 1.5547384944574638
Energy: 1.3560600947270887
Energy: 1.6270817845348402
Energy: 1.766368282770116
Energy: 1.884276576971374
Energy: 1.8685831896365508
Energy: 1.7663836281786316
Energy: 1.6287870211438393
Energy: 1.6246487427470073
Energy: 1.8295531810495398
Energy: 1.7558767032064202
Energy: 1.825810768359431
Energy: 1.6252237925509956
Energy: 1.6260168294511237
Energy: 1.7715592070770874
Energy: 1.434966981978627
Energy: 1.5815548237800754
Energy: 1.687452744109758
Energy: 1.483820683913904
Energy: 1.3569825208192314
Energy: 1.3600398143364196
Energy: 1.7799018870925603
Energy: 1.699556285566376
Energy: 1.4853020199385707
Energy: 1.540520257924567
Energy: 1.4988361358927806
Energy: 1.801774344981493
Energy: 1.5510818841487222
Energy: 1.4156160398366955
Energy: 1.5999025851195634
Energy: 1.3326424831140453
Energy: 1.5858069516984956
Energy: 1.4165997562822445
Energy: 1.5055639374622665
Energy: 1.607563024946384
Energy: 1.4965561379207277
Energy: 1.4213051363475857
Energy: 1.5844709688857284
Energy: 1.32989317335261
Energy: 1.4040408870393337
Energy: 1.330695585248097
Energy: 1.4202201757591515
Energy: 1.5872533745942554
Energy: 1.4935588812940563
Energy: 1.4038026061877131
Energy: 1.6098397119182843
Energy: 1.6722001209037558
Energy: 1.706163420345024
Energy: 1.833442791816434
Energy: 1.3479696280817717
Energy: 1.8268130498916735
Energy: 1.7007581981961546
Energy: 1.713022996073053
Energy: 1.8347469358671484
Energy: 1.3534103181121928
Energy: 1.6913795383567933
Energy: 1.9289750263307948
Energy: 1.7560458368374647
Energy: 1.617470692451775
Energy: 1.5114987517424168
Energy: 1.5946603452094295
Energy: 1.9364518648596698
Energy: 1.4113584636626662
Energy: 1.5898843148462072
Energy: 1.4094682814375004
Energy: 1.6314079024195518
Energy: 1.701418674568576
Energy: 1.753819844158253
Energy: 1.6600746487924223
Energy: 1.6296357666946817
Energy: 1.7562066958379314
Energy: 1.8373931891114272
Energy: 1.6694875330162293
Energy: 1.4410171556049907
Energy: 1.6312715140904253
Energy: 1.6223837198871358
Energy: 1.745196477279666
Energy: 1.75390042867795
Energy: 1.958674478884722
Energy: 1.7138378534629395
Energy: 1.6229799362514297
Energy: 1.7422361502760597
Energy: 1.6155664983768052
Energy: 1.561953611135816
Energy: 1.6260810433396613
Energy: 1.6344303373681035
Energy: 1.4858544268010687
Energy: 1.4069624856614853
Energy: 1.7730021233818907
Energy: 1.7187848287555803
Energy: 1.63228263269077
Energy: 1.484426505133279
Energy: 1.4048919541173355
Energy: 1.8585449127842761
Energy: 1.7158683493655347
Energy: 1.4962242608080196
Energy: 1.6100590549288283
Energy: 1.4121865472615847
Energy: 1.630841010174901
Energy: 1.5875575038652237
Energy: 1.485931834836808
Energy: 1.6050036117626494
Energy: 1.4129417284267305
Energy: 1.5108187979119652
Energy: 1.5878211196442507
Energy: 1.6055524614582934
Energy: 1.4156008166779448
Energy: 1.6120300978907345
Energy: 1.53971585964239
Energy: 1.7654629228367364
Energy: 1.5830351051695057
Energy: 1.4124200319742126
Energy: 1.6260977423014837
Energy: 1.4112725231014376
Energy: 1.5890032512878827
Energy: 1.830811887274103
Energy: 1.4964664915690953
Energy: 1.5342477443990061
Energy: 1.7590299283388713
Energy: 1.705284497037407
Energy: 1.6683880718277893
Energy: 1.339096669464269
Energy: 1.4423708349331972
Energy: 1.8827231556271793
Energy: 1.7967996465236697
Energy: 1.842495205859557
Energy: 1.5875686732940144
Energy: 1.7962190324617406
Energy: 1.9329294184911443
Energy: 1.586132840076187
Energy: 1.6045216259991948
Energy: 1.8325549927882192
Energy: 1.6256347947943008
Energy: 1.9279792320353646
Energy: 1.6928997422462952
Energy: 1.6353474513479749
Energy: 1.6179061978385818
Energy: 1.6070685749758111
Energy: 1.7498457232409177
Energy: 1.6241370723771105
Energy: 1.3591640672432088
Energy: 1.3489268062179205
Energy: 1.6034328766347834
Energy: 1.7362278206759925
Energy: 1.6723117112107735
Energy: 1.9300897664109686
Energy: 1.7394620849383304
Energy: 1.6072905055996383
Energy: 1.5996099099288006
Energy: 1.8155272392795168
Energy: 1.7599681749612313
Energy: 1.8173198852854044
Energy: 1.6041549851047037
Energy: 1.5973485874622093
Energy: 1.7504282295921991

minimum gb energy = 1.325804366008858 eV
minimum distance =  2.18567621439314 Angstroms
sigma value = 75


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

Energy: 2.561731726945916
Energy: 1.830399311629699
Energy: 1.5069881156670344
Energy: 1.541315790399208
Energy: 1.8837563914266846
Energy: 2.379452915551397
Energy: 1.8844575108530497
Energy: 1.5257048128720625
Energy: 1.556292172802224
Energy: 1.7954706866802248
Energy: 1.547848394712234
Energy: 1.632817672173849
Energy: 1.5248177674328527
Energy: 1.5525495300198204
Energy: 1.5202343141454011
Energy: 1.5732641873965998
Energy: 1.536405602667107
Energy: 1.5246503853132796
Energy: 1.5897232690747134
Energy: 1.5641658319845109
Energy: 1.7683917045491446
Energy: 1.9324547605426563
Energy: 1.9323260914289973
Energy: 1.59061262103493
Energy: 1.6224251167529256
Energy: 1.5096987815541685
Energy: 1.9323112737582047
Energy: 1.9324421439484851
Energy: 1.6108585022710118
Energy: 1.6065775197478993
Energy: 1.5096774653334606
Energy: 1.5602631601126744
Energy: 1.5885362655101032
Energy: 1.5730094454243282
Energy: 1.5927524762205294
Energy: 1.5557522926066423
Energy: 1.5443719082306064
Energy: 1.5414356111918575
Energy: 1.581361696059888
Energy: 1.5929083453873678
Energy: 1.5506199788337849
Energy: 1.587379121349804
Energy: 1.887486688466621
Energy: 1.9127571488921442
Energy: 1.4997108628345186
Energy: 1.5508858508981205
Energy: 1.5686525776899465
Energy: 1.56708606830766
Energy: 1.9155832379849973
Energy: 1.5385384772117654
Energy: 1.514712925052519
Energy: 1.9505907135887386
Energy: 1.914961012454214
Energy: 1.5457982459271624
Energy: 1.5654534054342415
Energy: 1.5179318724045043
Energy: 1.8726610809162307
Energy: 1.9048844518894352
Energy: 1.5522252562487209
Energy: 1.564691591524631
Energy: 1.6411250360003795
Energy: 1.6147374252999684
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Energy: 1.5579639111039096
Energy: 1.7011397684763463
Energy: 1.5399381431088925
Energy: 1.5711018186700616
Energy: 1.5972390765058384
Energy: 1.6036782032385952
Energy: 1.6072427905893667
Energy: 1.932555403825867
Energy: 1.9322395163511976
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Energy: 1.5061444363062833
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Energy: 1.9320640936373181
Energy: 1.5259683617989475
Energy: 1.6079871255136096
Energy: 1.5112652815121044
Energy: 1.5397901938296379
Energy: 1.5991755019190732
Energy: 1.5648605442859795
Energy: 1.5922763171091592
Energy: 1.5149681412113298
Energy: 1.5396887509823651
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Energy: 1.5949561405023682
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Energy: 1.5450266879336447
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Energy: 1.8710635382742729
Energy: 1.8722365381537147
Energy: 1.5588942248775526
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Energy: 1.589071217003183
Energy: 1.5539033400597524
Energy: 1.8967314644595448
Energy: 1.5424900385814062
Energy: 1.5359616001016942
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Energy: 1.5664961170684866
Energy: 1.5619218787175808
Energy: 1.5150982000941386
Energy: 1.5494388289891317
Energy: 1.5416430767628322
Energy: 1.5436795988309935
Energy: 1.5939123220290459
Energy: 1.5416647038421378
Energy: 1.6414987013334976
Energy: 1.5291525448863572
Energy: 1.5625893134764939
Energy: 1.589921356161812
Energy: 1.5404869253349922
Energy: 1.5378184044104932
Energy: 1.5417636794820992
Energy: 1.5923508021636634
Energy: 1.5185314644667265
Energy: 1.5925169553026202
Energy: 1.6027034093190733
Energy: 1.9326739703389624
Energy: 1.6389484423351635
Energy: 1.5121330729006355
Energy: 1.59223675157216
Energy: 1.7524288429298671
Energy: 1.9357237746817852
Energy: 1.628145675318522
Energy: 1.5474686281321577
Energy: 1.5834844582233867
Energy: 1.5580866320942413
Energy: 1.5415819145348424
Energy: 1.6006162805299051
Energy: 1.5793418063312707
Energy: 1.5272309049156743
Energy: 1.5582266681470627
Energy: 1.5402020171739155
Energy: 1.588809030825896
Energy: 1.8823221008208033
Energy: 1.5672887061150522
Energy: 1.5736132450245304
Energy: 1.5245429486870614
Energy: 1.8784543066335568
Energy: 1.8881959371405037
Energy: 1.5788667572148392
Energy: 1.5546688545105707
Energy: 1.5240375602304146
Energy: 1.5756679086691097
Energy: 1.5500252226954692
Energy: 1.550255511924554
Energy: 1.5751313297486016
Energy: 1.5744848883399716
Energy: 1.5686937369783385
Energy: 1.5553194962940877
Energy: 1.5592471246676871
Energy: 1.5754346139022064
Energy: 1.5473864825460903
Energy: 1.5497394576699564
Energy: 1.6231107308703747
Energy: 1.6066534984771053
Energy: 1.5499434077961871
Energy: 1.5069843108923007
Energy: 1.5267194892833567
Energy: 1.6010690955772249
Energy: 1.554996483278038
Energy: 1.5913939381326934
Energy: 1.5163332752352057
Energy: 1.9750580287175987
Energy: 1.6371282940782874
Energy: 1.592573912396009
Energy: 1.5925726872107164
Energy: 1.6212311942738937
Energy: 1.9330923996503842
Energy: 1.6803660582920055
Energy: 1.59228625590758
Energy: 1.5913210129110509
Energy: 1.6547072282530226
Energy: 1.9327062903030081
Energy: 1.5736458692656414
Energy: 1.555565549728939
Energy: 1.621894841489613
Energy: 1.5236180307423572
Energy: 1.5741753259157714
Energy: 1.6094363663894562
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minimum gb energy = 1.4997108628345186 eV
minimum distance =  2.21030017849117 Angstroms
sigma value = 105


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

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Energy: 1.5467411496297832
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Energy: 1.5714341580389903
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Energy: 1.5114900749093123
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Energy: 1.8786828886123785
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Energy: 1.6419294694839293
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Energy: 1.588018491445547
Energy: 1.531796882401082
Energy: 2.2507820369796065
Energy: 1.7268828154872131
Energy: 1.6477051742741478
Energy: 1.630643217776118
Energy: 1.6643736956658461
Energy: 2.2513338850826456
Energy: 1.6746539960763815
Energy: 1.676974636492296
Energy: 1.631129941605758
Energy: 1.6629767558433075
Energy: 1.7713867555843346
Energy: 1.6227373693328602
Energy: 1.6890332442264056
Energy: 1.6465087069946995
Energy: 1.632001725750482
Energy: 1.622062917987487
Energy: 1.6203502850609897
Energy: 1.5341739728281218
Energy: 1.635646087006905
Energy: 1.7407466574898243
Energy: 1.6211477807538037
Energy: 1.5945662484260499
Energy: 1.673029203632033
Energy: 1.6614546811866064
Energy: 1.7802387843116079
Energy: 1.6537414207821417
Energy: 1.6798259679976575
Energy: 1.6791199550722473
Energy: 1.631563124511605
Energy: 1.6044865473113241
Energy: 1.636530381364385
Energy: 1.65771491001207
Energy: 1.623581515621482
Energy: 1.6205207902327015
Energy: 1.6040819228834233
Energy: 1.5877923241275256
Energy: 1.6554736258557552
Energy: 1.620577827301954
Energy: 1.6180545629053034
Energy: 1.7652030379845518
Energy: 1.8009884185027338
Energy: 1.6433694366455074
Energy: 1.6198704770520946
Energy: 1.6219897977570013
Energy: 1.5721014235572175
Energy: 1.7483616089968055
Energy: 1.6432111522058046
Energy: 1.619904289225798
Energy: 1.6185324262540746
Energy: 1.7110155100310978
Energy: 1.7261296000076436
Energy: 1.8131256485582492
Energy: 1.743209463433573
Energy: 1.8019712560914825
Energy: 1.7835040041746133
Energy: 1.5318194143960664
Energy: 1.8139287560567918
Energy: 1.6863630711757414
Energy: 1.8020128978562067
Energy: 1.747734962670999
Energy: 1.6180408322409887
Energy: 1.5529134194583167
Energy: 1.5729702750642345
Energy: 1.597887690834696
Energy: 1.6222611370315867
Energy: 1.595190664829981
Energy: 1.540099708216387
Energy: 1.5373513490226498
Energy: 1.61586400163748
Energy: 1.6183884276092868
Energy: 1.6170125237804605
Energy: 1.5525560182953202
Energy: 1.5589353519519842
Energy: 1.559863901085859
Energy: 1.5385609324013214
Energy: 1.7020711562463142
Energy: 1.5383921419621691
Energy: 1.5252527890674779
Energy: 1.5266729415935578
Energy: 1.7152354832950398

minimum gb energy = 1.4345097059702203 eV
minimum distance =  2.23070798786829 Angstroms
sigma value = 165


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

Energy: 1.839940438525137
Energy: 1.5809976194354785
Energy: 1.4722342257044947
Energy: 1.5757779617819105
Energy: 1.5840912532580238
Energy: 1.7308577406600958
Energy: 1.5776795833534996
Energy: 1.5198191540410724
Energy: 1.5985373015265358
Energy: 1.5837119263721937
Energy: 1.5993986356437397
Energy: 1.7494265012770518
Energy: 1.5624123992868102
Energy: 1.5623608634921613
Energy: 1.6369374325941697
Energy: 1.5583292119560421
Energy: 1.7335663744641625
Energy: 1.5987566770366262
Energy: 1.5999305273625613
Energy: 1.698079220708131
Energy: 1.5576629837342528
Energy: 1.678687249365895
Energy: 1.6090925591745715
Energy: 1.6413889371562065
Energy: 1.7278862346185178
Energy: 1.4600252974144496
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Energy: 1.7271488900000163
Energy: 1.588703808208644
Energy: 1.6481730473084228
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Energy: 1.5733535367194813
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Energy: 1.8463757656109065
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Energy: 1.5518909489317203
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Energy: 1.436794121927394
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Energy: 1.589496926031688
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Energy: 1.6522920804437022
Energy: 1.3884695925163553
Energy: 1.4676999666009092
Energy: 1.622664369852139
Energy: 1.6066151895456713
Energy: 1.5838689049838721
Energy: 1.5796229510570625
Energy: 1.4715938285658754
Energy: 1.6153341944738797
Energy: 1.6124651630957985
Energy: 1.629698496832112
Energy: 1.581792252399271
Energy: 1.4669717437662553
Energy: 1.6089629685530702
Energy: 1.6120043420827304
Energy: 1.6726166048979398
Energy: 1.473272379773298
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Energy: 1.652336350982685
Energy: 1.8473936571024654
Energy: 1.6536469257762227
Energy: 1.7002423458589604
Energy: 1.467827643679337
Energy: 1.6778955861732112
Energy: 1.8469241887676915
Energy: 1.6083941846073624
Energy: 1.5932366336406143
Energy: 1.5444604947916853
Energy: 1.5430298954823878
Energy: 1.610626356495631
Energy: 1.6674214803929182
Energy: 1.592053380303372
Energy: 1.493644495466595
Energy: 1.5664267591836254
Energy: 1.7268097357611087
Energy: 1.5631154160418563
Energy: 1.8457119370936832
Energy: 1.4622485867015218
Energy: 1.5593047739184387
Energy: 1.5968196379249981
Energy: 1.6105645380948792
Energy: 1.8459828689871356
Energy: 1.5663226817603528
Energy: 1.5561111508381944
Energy: 1.5522550505086408
Energy: 1.5452828899731863
Energy: 1.7257218531735437
Energy: 1.657602181978402
Energy: 1.4366279755598592
Energy: 1.4589836430458545
Energy: 1.5029521079783177
Energy: 1.5727421036601628
Energy: 1.6376391525370622
Energy: 1.4416612242885216
Energy: 1.546118699003756
Energy: 1.538920273097358
Energy: 1.721444722299109
Energy: 1.6618744554293023
Energy: 1.507818757254097
Energy: 1.5530965986979834
Energy: 1.5858524509013803
Energy: 1.6366339329366766
Energy: 1.6253944912728264
Energy: 1.4715864569513482
Energy: 1.6519121446251304

minimum gb energy = 1.3884695925163553 eV
minimum distance =  2.26679225438261 Angstroms
sigma value = 41


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

Energy: 2.448099218468589
Energy: 1.2554330135798606
Energy: 1.3788587346336463
Energy: 1.295454281720524
Energy: 1.256259821971935
Energy: 2.447928112542028
Energy: 1.434502147564178
Energy: 1.3779035498151042
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Energy: 1.3849790432707871
Energy: 1.4222056806568009
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Energy: 1.3701294304344787
Energy: 1.3714609670096995
Energy: 1.3935584862003103
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Energy: 1.4320136278561737
Energy: 1.4208452064173693
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Energy: 1.3440470912571554
Energy: 1.3707079385235197
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Energy: 1.3350943902475938
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Energy: 1.3372680351499422
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Energy: 1.3723957672584608
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Energy: 1.2952011985966299
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Energy: 1.4391518155485075
Energy: 1.3882645143745873
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Energy: 1.4401050115885718
Energy: 1.2955999842870272
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Energy: 1.3860553172763987
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Energy: 1.267993169397714
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Energy: 1.677919396530807
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Energy: 1.2976041318379112
Energy: 1.301906188774979
Energy: 1.3740347627447531
Energy: 1.3865490009691626
Energy: 1.6854449142347425
Energy: 1.3703945647581528
Energy: 1.4202243629683973
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Energy: 1.370103300328376
Energy: 1.6863487807497166
Energy: 1.3706446634795635
Energy: 1.4060443724879286
Energy: 1.3839144773227887
Energy: 1.3940350237497727
Energy: 1.369135794266971
Energy: 1.370486347080891
Energy: 1.3471741456965365
Energy: 1.3450645081378285
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Energy: 1.3728054979240751
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Energy: 1.4963452902473353
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Energy: 1.388242665856425
Energy: 1.3469217083029363
Energy: 1.4113245115076447
Energy: 1.4358981466889693
Energy: 1.3707914848072875
Energy: 1.2538854874031276
Energy: 1.3455723539550577
Energy: 1.410531008128427
Energy: 1.4367487039695495
Energy: 1.3725683336974384
Energy: 1.369132717644898
Energy: 1.4357575518705803
Energy: 1.3739536143475617
Energy: 1.373129054482979
Energy: 1.3728827901128777
Energy: 1.3690229070881375
Energy: 1.432762177419504
Energy: 1.3732273794669598
Energy: 1.3731163819059837
Energy: 1.3888879063162747
Energy: 1.4462261007274706
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Energy: 1.407904723457332
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Energy: 1.2951354196436935
Energy: 1.3488302499150464
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Energy: 1.3650578053383478
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Energy: 1.3722532847001585
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Energy: 1.9292827907896684
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Energy: 1.4314776118674877
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Energy: 1.4210393530161038
Energy: 1.4365353586931584
Energy: 1.431420346309642
Energy: 1.3932785347834362
Energy: 1.4483672163662038
Energy: 1.4309477615064345
Energy: 1.372983579199991
Energy: 1.3721638080991287
Energy: 1.3686482923220122
Energy: 1.430576685562372
Energy: 1.4312555731135082
Energy: 1.7356331348339609
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Energy: 1.3691374345829044
Energy: 1.2975937421929895
Energy: 1.4062138552725167
Energy: 1.3700244880216115
Energy: 1.3700791478206413
Energy: 1.3694059615311194
Energy: 1.295843951547448
Energy: 1.406690157596477
Energy: 1.370207877934069
Energy: 1.389752201296213
Energy: 1.3720070890243552
Energy: 1.3708067845508154
Energy: 1.3719784023166992
Energy: 1.4119384398371821
Energy: 1.4338403635544237
Energy: 1.4424586912720025
Energy: 1.3709136779334503
Energy: 1.3724893882403608
Energy: 1.412128156444181
Energy: 1.4463091646087989
Energy: 1.4420280843192672
Energy: 1.3887887940637689
Energy: 1.3714769512519478
Energy: 1.3045186215205573
Energy: 1.2998247690052256
Energy: 1.29620070661824
Energy: 1.3882929207916552
Energy: 1.371086189022377
Energy: 1.3042266678069097
Energy: 1.2979090840421392
Energy: 1.2957096067836837
Energy: 1.3701934371753368
Energy: 2.1875977915444422
Energy: 1.2685418261377899
Energy: 1.3217591712324928
Energy: 1.3120842831307113
Energy: 1.3694034593704927
Energy: 2.1911947228054265
Energy: 1.2687505806436203
Energy: 1.3207473670576508
Energy: 1.3124089424354803
Energy: 1.404933731935289
Energy: 1.406278559822913
Energy: 1.3829264623765813
Energy: 1.351147471266074
Energy: 1.297260800911754
Energy: 1.347512777193394
Energy: 1.406611289108541
Energy: 1.3850818188829448
Energy: 1.349680775307092
Energy: 1.3019326664684294
Energy: 1.5033283806484812
Energy: 1.2974009185495319
Energy: 1.3489244869466206
Energy: 1.3492310052945582
Energy: 1.3941070122166754
Energy: 1.3856871906282597
Energy: 1.2970330282692821
Energy: 1.3486301768424926
Energy: 1.3497060499563467
Energy: 1.4147485172111307

minimum gb energy = 1.2538854874031276 eV
minimum distance =  2.28891573104687 Angstroms
sigma value = 185


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

Energy: 1.139578102227015
Energy: 1.015591478741599
Energy: 1.3038392002588486
Energy: 1.3191938195553512
Energy: 0.838953081040461
Energy: 0.8392537508296685
Energy: 1.0020385221790198
Energy: 0.999318424244286
Energy: 0.9906542191326931
Energy: 1.0596432327260987
Energy: 1.0250496048097872
Energy: 1.2432058794083551
Energy: 1.379022063341688
Energy: 1.2833693283063783
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Energy: 0.8345650791235901
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Energy: 1.101937715268303
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Energy: 0.7823388054232971
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Energy: 1.01655661901885
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Energy: 0.8082906109778953
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Energy: 0.9099216067232084
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Energy: 1.058428812096209
Energy: 0.8842658277320102
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Energy: 0.9683373044052392
Energy: 0.6794707942309743
Energy: 0.7013545060893632
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Energy: 0.8378656833812044
Energy: 1.0443981623718284
Energy: 0.7967110222660859
Energy: 0.8894658946212413
Energy: 0.8886604708226378
Energy: 0.7949125903479501
Energy: 1.6164764312314222
Energy: 0.9950966565258357
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Energy: 0.8907239566292299
Energy: 1.062463800693825
Energy: 0.799935088600058
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Energy: 0.6744358269036305
Energy: 0.7071605144428172
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Energy: 0.7030867685294965
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Energy: 0.9548326677731158
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Energy: 0.7843009743256976
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Energy: 0.9093170270665095
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Energy: 0.6747161182605599
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Energy: 0.751079742298893
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Energy: 0.6300270202953243
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Energy: 0.5282049772206329
Energy: 0.6863806907540768
Energy: 0.6824347641430418
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Energy: 0.5402071346626065
Energy: 0.7804618188956952
Energy: 0.7739100430162217
Energy: 0.7843212358542847
Energy: 0.8367600425133329
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Energy: 0.9718497731001526
Energy: 0.8369120004998938
Energy: 0.8362594879679466
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Energy: 0.6722779354815072
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Energy: 0.8733159062046869
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Energy: 0.8381033525884887
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Energy: 1.0285703893248883
Energy: 0.5299777576737118
Energy: 0.8250763245971601
Energy: 0.8494105871795476
Energy: 1.0752795342654216
Energy: 0.9137379170315648
Energy: 0.68674774568474
Energy: 1.0330047712706891
Energy: 1.0481548635706668
Energy: 1.0954080802067652
Energy: 0.7805330186039274
Energy: 0.7805141172734
Energy: 1.1088117367884907
Energy: 1.4875518166124098
Energy: 0.9285014792703817
Energy: 0.782270263587964
Energy: 0.782403402559586
Energy: 1.2075003354871567
Energy: 1.4951533494779137
Energy: 1.0289481663737257
Energy: 0.996158316728573
Energy: 0.7838937193468934
Energy: 0.9156350528412053
Energy: 1.0981154306135008
Energy: 1.1052301638519004
Energy: 0.9003739135022215
Energy: 0.9595559769721271
Energy: 1.0702122178288225
Energy: 1.039043944843044
Energy: 0.9775633618925226
Energy: 0.8003834017989987
Energy: 0.9210767918625886
Energy: 1.219275407946149
Energy: 1.3960427968363949
Energy: 1.0349945606204598
Energy: 0.8731614539009471
Energy: 0.9195103656143422
Energy: 0.9361863437746695
Energy: 1.127332039606207
Energy: 0.8343668347885559
Energy: 0.8334489547472186
Energy: 1.2993974008448357
Energy: 2.2321112191025025
Energy: 1.0891839607932636
Energy: 0.9552437305068868
Energy: 0.9342607852706407
Energy: 1.1370273960585253
Energy: 1.0674423156098145
Energy: 1.0102579370403453
Energy: 0.813930491489269
Energy: 0.9985047502019442
Energy: 1.1601799067815315
Energy: 1.0037537715692442
Energy: 0.9693647569945831
Energy: 0.9669984314708624
Energy: 0.929512262779327
Energy: 1.063832478021749
Energy: 1.3202144043639539
Energy: 1.028354987737777
Energy: 1.0763774041278344
Energy: 1.0630891519745242
Energy: 0.9603467340739784
Energy: 1.1267349142208074
Energy: 1.114595929502143
Energy: 0.8402805927854248
Energy: 1.172362837921855
Energy: 1.3060007266203206
Energy: 1.284975703490113
Energy: 1.0607459442490912

minimum gb energy = 0.5265010940018092 eV
minimum distance =  2.33665832150028 Angstroms
sigma value = 33


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

Energy: 2.1327937876160847
Energy: 1.2518685711670219
Energy: 1.209145736836075
Energy: 1.1970115419929914
Energy: 1.2152402450502766
Energy: 2.0779934677839136
Energy: 1.223033440444853
Energy: 1.2103294286262027
Energy: 1.257622016545647
Energy: 1.2600514248643058
Energy: 1.2361297513176117
Energy: 1.1799311989479075
Energy: 1.210816474814114
Energy: 1.2089280024160698
Energy: 1.2116269250625231
Energy: 1.2355055301136497
Energy: 1.1752015554859985
Energy: 1.2108890287815983
Energy: 1.1893004213790883
Energy: 1.231242321683882
Energy: 1.3021680154131343
Energy: 1.180095533340011
Energy: 1.1787053825981528
Energy: 1.3232010059704926
Energy: 1.2296801880120296
Energy: 1.2190093548625915
Energy: 1.1714497470408647
Energy: 1.1720079240396337
Energy: 1.2902190000023381
Energy: 1.229670972709963
Energy: 1.2835497915222278
Energy: 1.229803203379961
Energy: 1.2038763291094772
Energy: 1.2636292151239101
Energy: 1.432427711595373
Energy: 1.3295265032204533
Energy: 1.2283428772186087
Energy: 1.2062696127339152
Energy: 1.2668472520435252
Energy: 1.385466341717312
Energy: 1.2317407023627545
Energy: 1.2346490221071162
Energy: 1.2481189493809302
Energy: 1.2575657820685098
Energy: 1.2913562064361428
Energy: 1.2386944336599033
Energy: 1.2506533390472352
Energy: 1.2271323360256827
Energy: 1.2435300857534537
Energy: 1.2795056647017542
Energy: 1.2318539679452074
Energy: 1.2341201598555482
Energy: 1.3088564007621168
Energy: 1.3038219644835134
Energy: 1.2800154436113087
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Energy: 1.2447597041482776
Energy: 1.33308532539593
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Energy: 1.36314758325704
Energy: 1.2970074206110993
Energy: 1.2392434670934693
Energy: 1.4328898905609202
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Energy: 1.3279304445157305
Energy: 1.2625088060794916
Energy: 1.2951618693828684
Energy: 1.366997058303243
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Energy: 1.243820206702043
Energy: 1.3596700203679004
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Energy: 1.2443927974128508
Energy: 1.2431556208871593
Energy: 1.2436261019003487
Energy: 1.3631021657039648
Energy: 1.2434017830796227
Energy: 1.2438524092288383
Energy: 1.2429997457691118
Energy: 1.243497757927744
Energy: 1.299749982008116
Energy: 1.5215044632156285
Energy: 1.2718901921636565
Energy: 1.2441758509132474
Energy: 1.2446976067095827
Energy: 1.2618469963378944
Energy: 1.5044679292366774
Energy: 1.268819976108871
Energy: 1.2437830419362548
Energy: 1.4605908942704449
Energy: 1.242806604924016
Energy: 1.4596738383422492
Energy: 1.2430902246165163
Energy: 1.3060257978405043
Energy: 1.3942199768786103
Energy: 1.2425399499206002
Energy: 1.3644496173336218
Energy: 1.2428350861676574
Energy: 1.281745879370413
Energy: 1.3970371083000426
Energy: 1.2612336117941845
Energy: 1.2430679193785716
Energy: 1.242606435918988
Energy: 1.2430042637428165
Energy: 1.387586546615984
Energy: 1.2621458839087847
Energy: 1.2440839475957397
Energy: 1.2426003211209775
Energy: 1.2430450423148216
Energy: 1.3228056029693183
Energy: 1.269876546598722
Energy: 1.432745035288769
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Energy: 1.3990083185723494
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Energy: 1.2667880157876628
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Energy: 1.236347362372172
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Energy: 1.2680671698960113
Energy: 1.2361250695975368
Energy: 1.25386312540904
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Energy: 1.4133285100292032
Energy: 1.2668251440862115
Energy: 1.2902646636282844
Energy: 1.2512840100533407
Energy: 1.397392374425971
Energy: 1.2606676720724124
Energy: 1.3381756728434355
Energy: 1.346551805632381
Energy: 1.2207396254903031
Energy: 1.2189906771911359
Energy: 1.2604632832226261
Energy: 1.2279277119213325
Energy: 1.3523793699035007
Energy: 1.2276513689969115
Energy: 1.2267895205217199
Energy: 1.2635867020870222
Energy: 1.2369230203259611
Energy: 1.2395079441490562
Energy: 1.209418828754799
Energy: 1.2180440130087449
Energy: 1.2352834576448926
Energy: 1.2428895524108479
Energy: 1.2586292019784744
Energy: 1.2271735125348215
Energy: 1.2267702266442642
Energy: 1.38601884359658
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Energy: 1.2150739929058538
Energy: 1.2202863533837587
Energy: 1.2108751042033514
Energy: 1.258854589969382
Energy: 1.405003483680205

minimum gb energy = 1.1492297001213951 eV
minimum distance =  2.21583101574337 Angstroms
sigma value = 219


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

Energy: 2.04277399200286
Energy: 1.6037157300790743
Energy: 1.5776084953863416
Energy: 1.6008792173304487
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Energy: 1.6057421406603023
Energy: 1.76336296778883
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Energy: 1.6717117563178412
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Energy: 1.6033809330984465
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Energy: 1.611858435331223
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Energy: 1.6665936384977331
Energy: 1.6675487893594
Energy: 1.6795890105393256
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Energy: 1.6030044342107486
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Energy: 1.6026574878735114
Energy: 1.7454706205345696
Energy: 1.8997387924829976
Energy: 1.6015933305298549
Energy: 1.5690064697146837
Energy: 1.6026983634465832
Energy: 1.641522736021185
Energy: 1.580151222251837
Energy: 1.5713607608622924
Energy: 1.6124729151214356
Energy: 1.6015491657962813
Energy: 1.6405401730997107
Energy: 1.5812149945058132
Energy: 1.5712760304897762
Energy: 1.6127787267199638
Energy: 1.6025901801087095
Energy: 1.6041977255371858
Energy: 1.601678330916892
Energy: 1.4979196758869644
Energy: 1.4959502546209693
Energy: 1.600567074314504
Energy: 1.6050896133130144
Energy: 1.6015097193849208
Energy: 1.4954923503115884
Energy: 1.4952597846989983
Energy: 1.6004342878186784

minimum gb energy = 1.3912599016988088 eV
minimum distance =  2.28574088332819 Angstroms
sigma value = 15


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

Energy: 2.351257880656109
Energy: 1.7358383456858044
Energy: 1.6961957518949042
Energy: 1.5961750194919342
Energy: 1.8324414481000582
Energy: 2.3520450064074936
Energy: 1.6891910916429596
Energy: 1.651314475795901
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Energy: 1.7531670796480279
Energy: 1.6475867435229763
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Energy: 1.8181821795239572
Energy: 1.7827149294478042
Energy: 1.650656626459163
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Energy: 1.5895722694676921
Energy: 1.590983028289664
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Energy: 1.5911701875238136
Energy: 1.5890570415288494
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Energy: 1.659149670972323
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Energy: 1.7331644953583323
Energy: 1.784444369028389
Energy: 1.841572317284278
Energy: 1.6492001533596434
Energy: 1.774826129390127
Energy: 1.7321714412044964
Energy: 1.8012928656318845
Energy: 1.8440542900413066
Energy: 1.8090034588934674
Energy: 1.7396313502322318
Energy: 1.5888828418872607
Energy: 1.5972779371503143
Energy: 1.5930700283704309
Energy: 1.8084496697372607
Energy: 1.7422771734387574
Energy: 1.882073514139501
Energy: 1.5970735961047082
Energy: 1.590788316565378
Energy: 1.811567568899159
Energy: 1.7307562781813504
Energy: 1.8190116818746025
Energy: 1.5964294297922212
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minimum gb energy = 1.5824430386483408 eV
minimum distance =  2.23283340279528 Angstroms
sigma value = 293


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

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Energy: 2.207235125796281
Energy: 1.8519375471621922
Energy: 1.6404518952222946
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Energy: 1.7375616912664962
Energy: 2.207582437150852
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Energy: 1.6138459604979225
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Energy: 1.6419302562647842
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Energy: 1.665355701862454
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Energy: 1.659941769887497
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Energy: 1.8977093705940957
Energy: 1.7478020913294463
Energy: 2.1186315010690575
Energy: 1.7463615409823745
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Energy: 1.632545289169646
Energy: 1.7764692450926147
Energy: 1.9217655287739817
Energy: 1.616203982459917
Energy: 1.6117808609335724
Energy: 1.8015210397706958
Energy: 1.7152628057837656
Energy: 1.625413590601802
Energy: 1.6180085013789078
Energy: 1.6116557083335232
Energy: 1.6341799760726583
Energy: 1.8213630252885495
Energy: 1.8094244764293081
Energy: 1.6186607256625645
Energy: 1.6147598893922643
Energy: 1.6345863175925082
Energy: 1.8224327958042137
Energy: 1.7634920311320714
Energy: 1.6336070711369441
Energy: 1.7036553419960059
Energy: 1.7187562733773498
Energy: 1.8394092297960567
Energy: 1.7678502537338432
Energy: 1.6193471909488157
Energy: 1.7143477499776083
Energy: 1.6928637887185591
Energy: 1.840544366854031
Energy: 1.7677102356111996
Energy: 1.6602216067987015
Energy: 1.618183400629834
Energy: 1.6190715051216373
Energy: 1.6733798206337547
Energy: 1.941624004694212
Energy: 1.6364336655647256
Energy: 1.6184088349780505
Energy: 1.6175952002631901
Energy: 1.667302295709064
Energy: 1.8435945791955433
Energy: 1.638316347837698
Energy: 1.7135714811060931
Energy: 1.6207222002976802
Energy: 1.641842291474293
Energy: 1.9419964815618456
Energy: 1.6011724163908843
Energy: 1.7249746889524364
Energy: 1.6293517990805348
Energy: 1.6346845626532023
Energy: 1.958747738328029
Energy: 2.0525667406983934
Energy: 1.7002554464125084
Energy: 1.6336779642646049
Energy: 1.603472620164177
Energy: 1.6614183133527862
Energy: 2.116414655509969
Energy: 1.6132034503163328
Energy: 1.89738580445291
Energy: 1.6170891605629616
Energy: 1.6133409435105706

minimum gb energy = 1.5704011469454087 eV
minimum distance =  2.23022465480986 Angstroms
sigma value = 293


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

Energy: 1.412137888783126
Energy: 1.417923442748895
Energy: 1.5941804594573417
Energy: 1.7544875556706545
Energy: 1.4177134539655418
Energy: 1.4134542494557185
Energy: 1.4486974114092832
Energy: 1.5944459443659835
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Energy: 1.4530310866451155
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Energy: 1.4490347011752367
Energy: 1.4502217916476503
Energy: 1.7543153487378091
Energy: 1.4469721669282571
Energy: 1.455116990164727
Energy: 1.5424237844310191
Energy: 1.4501749124855772
Energy: 1.752699020011435
Energy: 1.446940503693516
Energy: 1.5955804321596967
Energy: 1.6007617886556507
Energy: 1.5985431910259114
Energy: 1.4151864252089779
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Energy: 1.5973898907014437
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Energy: 1.4478069498769055
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Energy: 1.4493341073594395
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Energy: 1.4453955870086999
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Energy: 1.4158615341591845
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Energy: 1.4169967791625415
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Energy: 1.4152284896761542
Energy: 1.4170954222628065
Energy: 1.45002411389588
Energy: 1.5430073007694884
Energy: 1.7565147503379488
Energy: 1.41724660645601
Energy: 1.4148758485445916
Energy: 1.4475642964596125
Energy: 1.4483467561973977
Energy: 1.755197069903382
Energy: 1.417297443435894
Energy: 1.4154064035540348
Energy: 1.447036723141973
Energy: 1.4474780462353172
Energy: 1.4473858016534886
Energy: 1.5949187422185256
Energy: 1.4485550208320273
Energy: 1.446783789606667
Energy: 1.4159198995437035
Energy: 1.7540305799810392
Energy: 1.593218745277896
Energy: 1.7554015174315618
Energy: 1.4489220097789606
Energy: 1.4717054973592587
Energy: 1.5971861534648288
Energy: 1.4240562209098968
Energy: 1.4506319229194484
Energy: 1.4483572896833092
Energy: 1.542183603135066
Energy: 1.5974452702973871
Energy: 1.4233038672090887
Energy: 1.4493027206032751
Energy: 1.4479021621122214
Energy: 1.4465461251549043
Energy: 1.4494230163657869
Energy: 1.5419769216594872
Energy: 1.4485248424275514
Energy: 1.4150177607550103
Energy: 1.416668886896382
Energy: 1.55665756467473
Energy: 1.8545760487471006
Energy: 1.4481304822392334
Energy: 1.4142046230704992
Energy: 1.4171572499469596
Energy: 1.4474213342364677
Energy: 1.4168673903649236
Energy: 1.4449250048096272
Energy: 1.4166832727265153
Energy: 1.5446012037833055
Energy: 1.4469581392336486
Energy: 1.441197191944043
Energy: 1.4448529062165048
Energy: 1.4159272251528376
Energy: 1.4480176351913812
Energy: 1.449281831697948
Energy: 1.4477391841198686
Energy: 1.8545176552936558
Energy: 1.596292221228799
Energy: 1.7558911967406219
Energy: 1.4490638644488878
Energy: 1.4478228979526095
Energy: 1.8543539236110917
Energy: 1.4493364347193307
Energy: 1.7555033968997493
Energy: 1.4156572761321646
Energy: 1.4489325656426106
Energy: 1.560660519446347
Energy: 1.5986761038312856
Energy: 1.5442105329020488
Energy: 1.4158577567224802
Energy: 1.4496152380407352
Energy: 1.4223390978503045
Energy: 1.5981583102741794
Energy: 1.5442244905717546

minimum gb energy = 1.412137888783126 eV
minimum distance =  2.27956803372868 Angstroms
sigma value = 15


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

Energy: 2.554495410462702
Energy: 1.5971554891626072
Energy: 1.6556534428201508
Energy: 1.5855036464892949
Energy: 1.545537333088757
Energy: 1.544223470761811
Energy: 1.6292445284189965
Energy: 1.6650684507884523
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Energy: 1.660365040436693
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Energy: 1.5940736101738016
Energy: 1.7171872105127082
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Energy: 1.6316043632388226
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Energy: 1.7413896141114575
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Energy: 1.9039859048827417
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Energy: 1.5648900454096581
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Energy: 1.578000041529874
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Energy: 1.661752998713009
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Energy: 1.6298907014645643
Energy: 1.662251487994974
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Energy: 1.562149038509009
Energy: 1.5640857953125544
Energy: 1.6758431990305473
Energy: 1.6812625457742705
Energy: 1.579545693465074
Energy: 1.620596683391539
Energy: 1.5507160839606389
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Energy: 1.6800884692427076
Energy: 1.5779542444105439
Energy: 1.777780015892187
Energy: 1.7440265713143064
Energy: 1.5828080706091343
Energy: 1.5815503758828258
Energy: 1.790580000724525
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Energy: 1.559393535535603
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Energy: 1.5453765611589987
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Energy: 1.741235881691601
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Energy: 1.6894448908556279
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Energy: 1.737365432912037
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Energy: 1.7119671536740415
Energy: 1.9839320577132529
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Energy: 1.7873259345560322
Energy: 1.7674305335175478
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Energy: 1.9851675970425449
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Energy: 1.6837209824486938
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Energy: 1.5622195852185439
Energy: 1.6442627381979207
Energy: 1.8817141698913438
Energy: 1.9203764995777417
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Energy: 1.5622789969568955
Energy: 1.644220519736628
Energy: 1.7432658135388095
Energy: 1.9198789610090454
Energy: 1.5639889933942699
Energy: 1.56114392338507
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Energy: 1.6671403866718006
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Energy: 1.5629169859684087
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Energy: 1.64370169591077
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Energy: 1.628767749238756
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Energy: 1.5712148854104167
Energy: 1.6339489489806613
Energy: 1.6969725838258023
Energy: 1.7140898904217363
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Energy: 1.7028268458944897
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Energy: 1.7095709770826204
Energy: 1.551826139219468
Energy: 1.916132134065225
Energy: 1.60257179121782
Energy: 1.5819114960662302
Energy: 1.582162354963637
Energy: 1.623703036038959
Energy: 1.912963297705702
Energy: 1.5729659429172067
Energy: 1.5706689554854885
Energy: 1.5727521761781278
Energy: 1.6883027633007188
Energy: 1.641878900476781
Energy: 1.5870287313366749
Energy: 1.5847554649980198
Energy: 1.5807713045906733
Energy: 1.8388458894804482
Energy: 1.636459774688593
Energy: 1.5918189607713207
Energy: 1.567702607806966
Energy: 1.5722492253597822
Energy: 1.73028019678805
Energy: 1.7357604126595794
Energy: 1.5419847485039984
Energy: 1.5427655233863273
Energy: 1.824607904511229
Energy: 1.73118236539788
Energy: 1.8767454620219528
Energy: 1.5637248176244591
Energy: 1.5513681973800482
Energy: 1.824031733951996
Energy: 1.582901849361756
Energy: 1.54755943057951
Energy: 1.7674712308836826
Energy: 1.5428097075654899
Energy: 1.6332444917135862
Energy: 1.6421162335836892
Energy: 1.5773790894550006
Energy: 1.8813274074799484
Energy: 1.5814378515280272
Energy: 1.632905186595448
Energy: 1.583549683029981
Energy: 1.6352991774771521
Energy: 1.8892890741406203
Energy: 1.7124141169276024
Energy: 1.6156281403803565
Energy: 1.5840486134400988
Energy: 1.6356314231943228
Energy: 1.6518923264096037
Energy: 1.7318838383206354
Energy: 1.6428295580786347
Energy: 1.6479480861467375
Energy: 1.670507675217239
Energy: 1.7437509509068172
Energy: 1.6931262108136877
Energy: 1.6992779642055802
Energy: 1.6230888106452528
Energy: 1.6628045687449415
Energy: 1.7300201314339907
Energy: 1.7081872478027686
Energy: 1.7181375509831398
Energy: 1.9030683727894904
Energy: 1.7401755676738808
Energy: 1.7359378850858622
Energy: 1.7474916163394971
Energy: 1.7506969938174237
Energy: 1.7298149392791597
Energy: 1.7294734329535693
Energy: 1.7269050479580261
Energy: 1.7800894280390576
Energy: 1.7215348452416186
Energy: 1.8149619329272149
Energy: 1.66629472136344
Energy: 1.8119120675275584
Energy: 1.789152519251256
Energy: 2.234455952212062
Energy: 1.819908639513624
Energy: 1.6215187427963886
Energy: 1.8589834029484764
Energy: 1.8515796359729662
Energy: 2.2336006632937635
Energy: 1.8818272581306825
Energy: 1.8430259418824342
Energy: 1.816998438567049
Energy: 1.74872797672124
Energy: 1.6512868566334729
Energy: 1.8435330172414721
Energy: 1.812468615667514
Energy: 1.8124769604732358
Energy: 1.8163450030766177
Energy: 1.5627614852097762
Energy: 1.6453381169134789
Energy: 1.7302409159536243
Energy: 1.5636983166138114
Energy: 1.5673631432598196
Energy: 1.5628185935407481
Energy: 1.6487872917971278
Energy: 1.7587993293880588
Energy: 1.563572871406897
Energy: 1.5657584608289663
Energy: 1.5865752758745597
Energy: 1.588809116735312
Energy: 1.6625379813846777
Energy: 1.7187056932328932
Energy: 1.5609985284980947
Energy: 1.5617903450092918
Energy: 1.5868592609135643
Energy: 1.6623695467795903
Energy: 1.6342673267424643
Energy: 1.5599323505272993
Energy: 1.5623336506738732
Energy: 1.7507395924587064
Energy: 1.6317451411392334
Energy: 1.5902497715291604
Energy: 1.5691260635278523
Energy: 1.6956655171199815
Energy: 1.668515275827101
Energy: 1.6288636449082385
Energy: 1.563886950856761
Energy: 1.6206766734434888
Energy: 1.7592681139839579
Energy: 1.5591117362052433
Energy: 1.5592665242666932
Energy: 1.770911360135192
Energy: 1.8094739097966328
Energy: 1.5518036453111546
Energy: 1.5388436725810057
Energy: 1.5781818277324409
Energy: 1.8227348101566396
Energy: 1.921461649688229
Energy: 1.5513210654205967
Energy: 1.560035123791312
Energy: 1.558971620098167
Energy: 1.560115266241701
Energy: 1.6543243910337844
Energy: 1.5979682884856963
Energy: 1.584270786883569
Energy: 1.5805881021874062
Energy: 1.5787636432250465
Energy: 1.6551916650803
Energy: 1.584506462283499
Energy: 1.5979365795117417
Energy: 1.8187560300742471
Energy: 1.7318559566387193
Energy: 1.7316976062547547
Energy: 1.7170455424258566
Energy: 1.6121912001570624
Energy: 1.8860289004280135
Energy: 1.7314441148462596
Energy: 1.6282957764847479
Energy: 1.703348882802004
Energy: 1.6183264196515648
Energy: 1.7400367897282578
Energy: 1.6301870206707112
Energy: 1.6131721763910567
Energy: 1.5266691351029267
Energy: 1.5498888613492579
Energy: 1.6944391954843565
Energy: 1.7327823112792673
Energy: 1.573205410824108
Energy: 1.5967774504514376

minimum gb energy = 1.5266691351029267 eV
minimum distance =  2.24464247721083 Angstroms
sigma value = 437


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

Energy: 2.0020860048655504
Energy: 1.5255900518883552
Energy: 1.9520303227569773
Energy: 1.8350876849847086
Energy: 1.4901497871155889
Energy: 2.001414105533653
Energy: 1.6354135469852946
Energy: 1.8233312369441068
Energy: 1.887067466130874
Energy: 1.7031403775828449
Energy: 1.4899166976803258
Energy: 1.855539227656709
Energy: 1.7126390022242417
Energy: 1.711798291705882
Energy: 1.6663855073377754
Energy: 1.6721765004095934
Energy: 1.8898242155512404
Energy: 1.7117935379780316
Energy: 1.9098658513773423
Energy: 1.5922163952774095
Energy: 1.6462648783988383
Energy: 1.7025886276676294
Energy: 1.7037368665429307
Energy: 1.5888779294743893
Energy: 1.6010415219909302
Energy: 1.654812257312459
Energy: 1.701982018980386
Energy: 1.7025728729270388
Energy: 1.5881252752873212
Energy: 1.6014134921350975
Energy: 1.5857452786233357
Energy: 1.5898780055564679
Energy: 1.6991479329033778
Energy: 1.604126063136902
Energy: 1.601969496324425
Energy: 1.5875375930899311
Energy: 1.5810979252117523
Energy: 1.6994284485904538
Energy: 1.6075429508485242
Energy: 1.601282313899297
Energy: 1.6066658891814767
Energy: 1.909541938767894
Energy: 1.8383921249396162
Energy: 1.585362708927078
Energy: 1.6928854971434442
Energy: 1.5736252581523342
Energy: 1.909042945223199
Energy: 1.4967556837153375
Energy: 1.585000434963776
Energy: 1.4958081946532034
Energy: 1.636033770090914
Energy: 1.58228357596663
Energy: 1.498434354027882
Energy: 1.5730583545277192
Energy: 2.0052261071568527
Energy: 1.7172854398387316
Energy: 1.580092071213875
Energy: 1.4976058544771167
Energy: 1.577290049372538
Energy: 2.0058188919166686
Energy: 1.6797586041401633
Energy: 1.6469453686911304
Energy: 1.6063544024715084
Energy: 1.607040201835362
Energy: 1.7324044685412445
Energy: 1.680461178351617
Energy: 1.6417894055582825
Energy: 1.6031730994460098
Energy: 1.6068226347810266
Energy: 1.7328323836227766
Energy: 1.7002315258392042
Energy: 1.6061380045316838
Energy: 1.5797373225966354
Energy: 1.8616225457173654
Energy: 1.9367632568718711
Energy: 1.7022995092853446
Energy: 1.606320489882506
Energy: 1.5805350230690474
Energy: 1.8643825253665904
Energy: 1.8905976342271942
Energy: 1.5865156953610158
Energy: 1.8577110029973714
Energy: 1.5065386431973011
Energy: 1.8661361872495972
Energy: 1.5880881168881076
Energy: 1.744034112709666
Energy: 1.8581546332372214
Energy: 1.5076723325020005
Energy: 1.7589686076738882
Energy: 1.585786494564248
Energy: 1.5071470712866861
Energy: 1.8571425025381503
Energy: 1.5062501229861656
Energy: 1.4885957996316244
Energy: 1.5038317495835491
Energy: 1.6019872756427884
Energy: 1.8566431072688234
Energy: 1.5070296043712745
Energy: 1.4889218685482064
Energy: 1.508703916179853
Energy: 1.5020928155343913
Energy: 1.4992590944179813
Energy: 1.507306173398842
Energy: 2.0155154007001284
Energy: 1.4995014118137366
Energy: 1.5006820803803624
Energy: 1.4979234403660608
Energy: 1.6667718984410589
Energy: 2.0127500239808147
Energy: 1.582672755512434
Energy: 1.5063177849127998
Energy: 1.5106043737601274
Energy: 1.5001185088897577
Energy: 1.8172930327654475
Energy: 1.5058830334095477
Energy: 1.502972519244524
Energy: 1.5008322472667455
Energy: 1.5072820441168628
Energy: 1.6414523964369465
Energy: 1.502993468167534
Energy: 1.5015463551926929
Energy: 1.5062301779026046
Energy: 1.8577461348452429
Energy: 1.8580953135173368
Energy: 1.5070894647037552
Energy: 1.5029516541659111
Energy: 1.5801809171443622
Energy: 1.8609077034400323
Energy: 1.9411057868388104
Energy: 1.5074981308345758
Energy: 1.7144840149495997
Energy: 1.5018002396551036
Energy: 1.797736505492529
Energy: 1.5011837826645833
Energy: 1.494943932401914
Energy: 1.7144191149222427
Energy: 1.5032023761010584
Energy: 1.7914921871244127
Energy: 1.5020511681192759
Energy: 1.4883418920270657

minimum gb energy = 1.4883418920270657 eV
minimum distance =  2.21983158695543 Angstroms
sigma value = 33