Model name: model_name=Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8296494334936138
cohesive_energy=4.3759129323723
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.013804435559954456
Energy: 0.014411297292201402
Energy: 4.7230130312684935
Energy: 0.014411297292201402
Energy: 0.014411297292201402
Energy: 0.014216404494605307
Energy: 0.5367324178743385
Energy: 0.014216404493610052
Energy: 4.723013031267499
Energy: 0.5367324178743385
Energy: 0.014051122761601743
Energy: 0.5367324178743385
Energy: 0.014411297292201402
Energy: 0.014216404494605307
Energy: 0.5367324178743385
Energy: 0.014216404494605307

minimum gb energy = 0.013804435559954456 eV
minimum distance =  2.44720763051464 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.8044576603492832
Energy: 1.2788628909002944
Energy: 1.4276850513388515
Energy: 1.2788628909002944
Energy: 1.7665232776765323
Energy: 1.162069534640433
Energy: 1.1769827803572563
Energy: 1.1620695346416745
Energy: 1.8483780115880994
Energy: 1.175952683670825
Energy: 1.1861465422964828
Energy: 1.175952683670825
Energy: 1.5663119445946618
Energy: 1.1635189672853696
Energy: 1.1776505861331732
Energy: 1.1635189672853696
Energy: 1.564002569110533
Energy: 1.1639260988429425
Energy: 1.5788334531452575
Energy: 1.1639260988429425
Energy: 1.7490423258476688
Energy: 1.1562315926637328
Energy: 1.1555592395607623
Energy: 1.1562315926637328
Energy: 1.3658319426846097
Energy: 1.155593500640304
Energy: 1.1554780305808072
Energy: 1.155593500640304
Energy: 1.1641811767158077
Energy: 1.1538185834694727
Energy: 1.5792815198286185
Energy: 1.1538185834707142
Energy: 1.3704128648822527
Energy: 1.1537909721218826
Energy: 1.560654338064007
Energy: 1.153790972123124
Energy: 1.7787354839138492
Energy: 1.1555665719448167
Energy: 1.3772566836992766
Energy: 1.1555665719448167
Energy: 1.1598288450816383
Energy: 1.233094261737812
Energy: 1.495874066801233
Energy: 1.233094261737812
Energy: 1.1597748257435154
Energy: 1.1597274368304202
Energy: 2.1893457042894697
Energy: 1.159727436829179
Energy: 1.3726953771117516
Energy: 1.162289450186966
Energy: 1.5800756847952544
Energy: 1.162289450186966
Energy: 1.177162881500561
Energy: 1.1621185394097135
Energy: 1.5798888052431574
Energy: 1.1621185394121964
Energy: 1.2233297612758334
Energy: 1.1539918207437432
Energy: 1.7516985056511798
Energy: 1.1539918207437432
Energy: 1.1743530289538935
Energy: 1.1544581344316014
Energy: 1.7515522979156963
Energy: 1.1544581344316014
Energy: 1.1776163722698287
Energy: 1.1615806310425696
Energy: 1.580205999072501
Energy: 1.1615806310438113
Energy: 1.3725971766532985
Energy: 1.2328256507683828
Energy: 1.5800595089692215
Energy: 1.2328256507683828
Energy: 1.1642517171496614
Energy: 1.1597601556045538
Energy: 2.202348077817206
Energy: 1.1597601556045538
Energy: 1.1603208791068755
Energy: 1.2333498896247141
Energy: 1.3772875318607944
Energy: 1.2333498896259558
Energy: 1.7787187017537731
Energy: 1.1557193674818924
Energy: 1.3791126647340872
Energy: 1.1557193674818924
Energy: 1.3724260402378439
Energy: 1.1637584039210271
Energy: 1.5610531652471935
Energy: 1.1637584039210271
Energy: 1.2688852850252519
Energy: 1.1538518018670594
Energy: 1.3720196736435117
Energy: 1.1538518018670594
Energy: 1.5639569678054164
Energy: 1.155786665162689
Energy: 1.1555472397068804
Energy: 1.1557866651614475
Energy: 1.7489143466822052
Energy: 1.1562235091027369
Energy: 1.155765587927626
Energy: 1.1562235091014954
Energy: 1.5639744297424139
Energy: 1.1633302131309904
Energy: 1.5790378268012908
Energy: 1.1633302131297487
Energy: 1.5641291498504661
Energy: 1.163342357646566
Energy: 1.1674760082333273
Energy: 1.163342357646566
Energy: 1.9468501396564457
Energy: 1.1758883085235072
Energy: 1.1851953530090804
Energy: 1.1758883085235072
Energy: 1.7662473193384058
Energy: 1.1619536269784165
Energy: 1.1776927645154558
Energy: 1.1619536269784165
Energy: 1.8037065016647218
Energy: 1.1813778546043985
Energy: 1.1759799994665685
Energy: 1.1813778546056397
Energy: 1.7680707772210473
Energy: 1.1621746158314288
Energy: 1.1789075681242167
Energy: 1.162174615830187
Energy: 1.7490314120598878
Energy: 1.1584245629240977
Energy: 1.1631678910168832
Energy: 1.1584245629253394
Energy: 1.5641507750520243
Energy: 1.16389939336346
Energy: 1.1774663584465208
Energy: 1.1638993933622186

minimum gb energy = 1.1537909721218826 eV
minimum distance =  2.27977490623798 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.9371145358703492
Energy: 1.2330904876190936
Energy: 1.6086921138077164
Energy: 1.2330904876190936
Energy: 1.6584887795335654
Energy: 1.290496338077515
Energy: 1.277358857892078
Energy: 1.290496338077515
Energy: 1.663670712912668
Energy: 1.229662626737925
Energy: 1.2307856063082534
Energy: 1.229662626737925
Energy: 1.212113338182062
Energy: 1.2079250230423888
Energy: 1.273664721344443
Energy: 1.2079250230423888
Energy: 1.2120635249606218
Energy: 1.2081846534354546
Energy: 1.7213594733098114
Energy: 1.2081846534354546
Energy: 1.663043681620835
Energy: 1.2079784164048795
Energy: 1.2081147213429346
Energy: 1.2079784164048795
Energy: 1.2302351040431603
Energy: 1.291144940128026
Energy: 1.2079633966946712
Energy: 1.291144940128026
Energy: 1.207954146794862
Energy: 1.2077437695225859
Energy: 1.7211109722440312
Energy: 1.2077437695240012
Energy: 1.2304036866974202
Energy: 1.2119180369379625
Energy: 1.6646890837924466
Energy: 1.2119180369379625
Energy: 1.273908501226116
Energy: 1.2119424815506097
Energy: 1.21182785125588
Energy: 1.2119424815506097
Energy: 1.2088484484471298
Energy: 1.2894682108706192
Energy: 1.6646843105026168
Energy: 1.2894682108706192
Energy: 1.208489243012255
Energy: 1.2078718784039237
Energy: 2.088388868115533
Energy: 1.2078718784025082
Energy: 1.2735820398627775
Energy: 1.2117848780103955
Energy: 1.6555701827002098
Energy: 1.2117848780103955
Energy: 1.2735820398627775
Energy: 1.2117278243729728
Energy: 1.6555759815631081
Energy: 1.2117278243729728
Energy: 1.2083487665529276
Energy: 1.2078303988243246
Energy: 2.088503544334233
Energy: 1.2078303988243246
Energy: 1.2089211770995472
Energy: 1.2894441434367228
Energy: 1.6647776264061263
Energy: 1.2894441434353072
Energy: 1.2739085012275313
Energy: 1.2119325811468373
Energy: 1.211821402702604
Energy: 1.2119325811468373
Energy: 1.231020970729061
Energy: 1.2120487973784486
Energy: 1.6647053553549518
Energy: 1.2120487973784486
Energy: 1.2079586622457428
Energy: 1.2077696998365504
Energy: 1.7211109722440312
Energy: 1.2077696998365504
Energy: 1.2303690657112913
Energy: 1.2911046274731284
Energy: 1.2079458754843566
Energy: 1.2911046274731284
Energy: 1.6630723979436697
Energy: 1.20798888885831
Energy: 1.2081232385335374
Energy: 1.20798888885831
Energy: 1.2121253422621638
Energy: 1.2081714231710816
Energy: 1.7213594733098114
Energy: 1.2081714231710816
Energy: 1.2120820649141895
Energy: 1.2079036282781883
Energy: 1.273664721344443
Energy: 1.2079036282781883
Energy: 1.6637574257001724
Energy: 1.2296856796379834
Energy: 1.2308675753493963
Energy: 1.2296856796379834
Energy: 1.6584734848950073
Energy: 1.2909317339013135
Energy: 1.277358857892078
Energy: 1.2909317339013135
Energy: 1.9371145358703492
Energy: 1.2330904876190936
Energy: 1.6086735413775408
Energy: 1.2330904876190936
Energy: 1.6584887795349812
Energy: 1.290496338077515
Energy: 1.2773588578906627
Energy: 1.290496338077515
Energy: 1.663670712912668
Energy: 1.229662626737925
Energy: 1.2307856063082534
Energy: 1.229662626737925
Energy: 1.212113338182062
Energy: 1.2079250230423888
Energy: 1.273664721344443
Energy: 1.2079250230423888

minimum gb energy = 1.2077437695225859 eV
minimum distance =  2.26926520338155 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.730204407939852
Energy: 1.4484764552372331
Energy: 1.5441277166602922
Energy: 1.4484764552355873
Energy: 1.8004111832427778
Energy: 1.2914145197079503
Energy: 1.3391613840834755
Energy: 1.2914145197079503
Energy: 1.783271515113942
Energy: 1.316266803874052
Energy: 1.3294429445734952
Energy: 1.316266803874052
Energy: 1.5737724730438092
Energy: 1.2985150082870975
Energy: 1.3404203561049126
Energy: 1.2985150082854522
Energy: 1.5741683835449383
Energy: 1.2987445711998646
Energy: 1.5758042014306066
Energy: 1.2987445711998646
Energy: 1.7832502933699503
Energy: 1.2914315468200814
Energy: 1.2912827930294892
Energy: 1.2914315468200814
Energy: 1.3024552884251575
Energy: 1.2982250457999476
Energy: 1.291340963302069
Energy: 1.2982250457999476
Energy: 1.3259826709276954
Energy: 1.3017968036873186
Energy: 2.129945686632542
Energy: 1.3017968036873186
Energy: 1.3617399991432775
Energy: 1.3879408535876452
Energy: 1.6151511694197132
Energy: 1.3879408535876452
Energy: 1.3684632353536452
Energy: 1.3169720819769946
Energy: 1.7079856821196875
Energy: 1.3169720819769946
Energy: 1.4179293859989075
Energy: 1.3882538584270272
Energy: 1.7775897646588872
Energy: 1.3882538584270272
Energy: 1.33532487799877
Energy: 1.302130039422008
Energy: 1.7775427140788054
Energy: 1.302130039422008
Energy: 1.3682417032877712
Energy: 1.3170380612003545
Energy: 1.5855819006987175
Energy: 1.3170380612003545
Energy: 1.360435696711492
Energy: 1.3880149402911106
Energy: 1.5854000457513573
Energy: 1.3880149402911106
Energy: 1.320354636414105
Energy: 1.3017221897998894
Energy: 2.066182433192503
Energy: 1.3017221897982436
Energy: 1.3019841838865294
Energy: 1.2982849521672208
Energy: 1.2919102062048036
Energy: 1.2982849521672208
Energy: 2.0864417467580307
Energy: 1.291359233352758
Energy: 1.2912012856140156
Energy: 1.291359233352758
Energy: 1.573418218437395
Energy: 1.2987183176496975
Energy: 1.5760713246417637
Energy: 1.2987183176496975
Energy: 1.441934113175617
Energy: 1.2982515336496976
Energy: 1.3418652819596524
Energy: 1.2982515336496976
Energy: 1.5628454788191877
Energy: 1.291651504309689
Energy: 1.3465040110685147
Energy: 1.291651504309689
Energy: 1.797942618928276
Energy: 1.2913895813856686
Energy: 1.3465131318095382
Energy: 1.2913895813856686
Energy: 1.7317015122852695
Energy: 1.3170184101376774
Energy: 1.339261423034639
Energy: 1.3170184101376774
Energy: 1.8017393052017858
Energy: 1.4050122178112332
Energy: 1.3391227296506636
Energy: 1.4050122178112332
Energy: 1.9251648963915802
Energy: 1.328754144300859
Energy: 1.3288527067556453
Energy: 1.328754144300859
Energy: 1.5741612334367197
Energy: 1.2985688597859268
Energy: 1.3078010923632035
Energy: 1.2985688597859268

minimum gb energy = 1.2912012856140156 eV
minimum distance =  2.27529517005756 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.3469519998608572
Energy: 1.3467799161336913
Energy: 1.9124907195184009
Energy: 1.3467799161336913
Energy: 1.3470031810203034
Energy: 1.331690787023115
Energy: 1.331387166090471
Energy: 1.331690787023115
Energy: 1.3862685239270374
Energy: 1.3861973861172996
Energy: 1.3871791141582197
Energy: 1.3861973861170986
Energy: 1.3313833537469983
Energy: 1.3315277093057045
Energy: 1.3315549390171546
Energy: 1.331527709305883
Energy: 1.331478256582301
Energy: 1.331732733800275
Energy: 1.3861649739612172
Energy: 1.3317327338004756
Energy: 2.054507459124154
Energy: 1.3316246355333403
Energy: 1.3313405555995084
Energy: 1.3316246355333403
Energy: 1.3313512633637574
Energy: 1.3315843733820394
Energy: 1.3315354237984915
Energy: 1.3315843733820394
Energy: 1.3316177527915034
Energy: 1.331727472485789
Energy: 1.9087139565412456
Energy: 1.331727472485789
Energy: 1.4952951062334219
Energy: 1.331432882193798
Energy: 1.346810895354311
Energy: 1.331432882193798
Energy: 1.495250194583602
Energy: 1.3468091395203556
Energy: 1.3466696356837264
Energy: 1.3468091395203556
Energy: 1.3317666278720326
Energy: 1.443463069507822
Energy: 1.9088214299598878
Energy: 1.4434630695076216
Energy: 1.3317434488750586
Energy: 1.3469490323290794
Energy: 1.4483455630515025
Energy: 1.34694903232928
Energy: 1.4953969876917812
Energy: 1.3314821991096337
Energy: 1.3318632751538324
Energy: 1.3314821991096337
Energy: 1.3861164906846564
Energy: 1.4530633486609383
Energy: 1.386056604224365
Energy: 1.4530633486609383
Energy: 1.3318637109482356
Energy: 1.3314798729404722
Energy: 1.495396987691179
Energy: 1.3314798729404722
Energy: 1.448389301550299
Energy: 1.346966412592984
Energy: 1.331701055779203
Energy: 1.3469664125931848
Energy: 1.9086484422066683
Energy: 1.4434866625392926
Energy: 1.331766644378705
Energy: 1.4434866625392926
Energy: 1.3466639468154367
Energy: 1.3468071386511604
Energy: 1.4952501945834016
Energy: 1.3468071386511604
Energy: 1.3467905578828274
Energy: 1.3314476328985623
Energy: 1.495295106233221
Energy: 1.3314476328985623
Energy: 1.9087198349886856
Energy: 1.3317234657237698
Energy: 1.3315616406109638
Energy: 1.3317234657237698
Energy: 1.331519066547008
Energy: 1.3315823820702206
Energy: 1.3313481431618321
Energy: 1.3315823820702206

minimum gb energy = 1.3313405555995084 eV
minimum distance =  2.2601565783717 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.5278123939891282
Energy: 2.0093170619761307
Energy: 1.7080651741845303
Energy: 2.0093170619758824
Energy: 1.8627947378774248
Energy: 1.5695322849161937
Energy: 1.477919240470465
Energy: 1.5695322849159452
Energy: 1.5576988724087555
Energy: 1.4928192573996737
Energy: 1.478027170723616
Energy: 1.4928192573996737
Energy: 1.4845354545999077
Energy: 1.4930584711435535
Energy: 1.4935281546037997
Energy: 1.4930584711433326
Energy: 1.493619545813472
Energy: 1.568846884451001
Energy: 1.7655029685567696
Energy: 1.568846884451001
Energy: 1.837858154568513
Energy: 1.4813031367923848
Energy: 1.481241029460013
Energy: 1.4813031367923848
Energy: 1.527209527914451
Energy: 1.5849790736750784
Energy: 1.4819715888398046
Energy: 1.5849790736753264
Energy: 1.4930955149433665
Energy: 1.578926049255676
Energy: 1.7654559109286296
Energy: 1.578926049255676
Energy: 1.531969806078823
Energy: 1.4814035336169777
Energy: 1.481247954440028
Energy: 1.4814035336169777
Energy: 1.5566095906957427
Energy: 1.4819352416662157
Energy: 1.4813173565611286
Energy: 1.4819352416662157
Energy: 1.4762875438029024
Energy: 1.4932028770068404
Energy: 1.8222104288477525
Energy: 1.4932028770070884
Energy: 1.493205420130836
Energy: 1.5711409988221336
Energy: 1.4928051536971014
Energy: 1.5711409988218854
Energy: 1.824602873974197
Energy: 1.4930923425249523
Energy: 1.494468787317319
Energy: 1.4930923425249523
Energy: 1.86478339861092
Energy: 1.5687847869813618
Energy: 1.5640173877176342
Energy: 1.5687847869813618
Energy: 1.8635349175693445
Energy: 1.4816423464497064
Energy: 1.5640318064548309
Energy: 1.4816423464497064
Energy: 1.8227419158599025
Energy: 1.4857228017970177
Energy: 1.4956276635655303
Energy: 1.4857228017967694
Energy: 1.4936453577650626
Energy: 1.4816487950699195
Energy: 1.4775842224538183
Energy: 1.4816487950699195

minimum gb energy = 1.4762875438029024 eV
minimum distance =  2.2486521193851 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.890530612010427
Energy: 1.5583055073560323
Energy: 1.6471809815042968
Energy: 1.5583055073560323
Energy: 1.7848322858114654
Energy: 1.6114088527593566
Energy: 1.5896244688266257
Energy: 1.6114088527593566
Energy: 1.5473193340008116
Energy: 1.5293902555458128
Energy: 1.5376842655797747
Energy: 1.5293902555458128
Energy: 1.50452318334705
Energy: 1.5362475236444513
Energy: 1.5463667635523168
Energy: 1.5362475236444513
Energy: 1.531896123232109
Energy: 1.604036796330117
Energy: 1.7659745397839437
Energy: 1.604036796330117
Energy: 1.7017542797856722
Energy: 1.5340737887019797
Energy: 1.5562788934437346
Energy: 1.5340737887019797
Energy: 1.6319154390062618
Energy: 1.5035725301294367
Energy: 1.7662962242637614
Energy: 1.5035725301308114
Energy: 1.5419402984760893
Energy: 1.5188464143359621
Energy: 1.7551748335460933
Energy: 1.5188464143359621
Energy: 1.5315774450419721
Energy: 1.5337460812701826
Energy: 1.5119711505962237
Energy: 1.5337460812701826
Energy: 1.7445289259050016
Energy: 1.6069413961967518
Energy: 1.5337373605302935
Energy: 1.6069413961967518
Energy: 1.5402606735984135
Energy: 1.5364499538747778
Energy: 1.7418372203017043
Energy: 1.5364499538747778
Energy: 1.5363208350500994
Energy: 1.5339165849852436
Energy: 1.5519061996493133
Energy: 1.5339165849852436
Energy: 1.7410416749269053
Energy: 1.5641852736676023
Energy: 1.5511845459481384
Energy: 1.5641852736676023
Energy: 1.536028972686748
Energy: 1.5366034679983227
Energy: 1.5597211677730465
Energy: 1.5366034679983227
Energy: 1.536132061326611
Energy: 1.6033041535059545
Energy: 1.753072936647612
Energy: 1.6033041535059545
Energy: 1.8009022644645767
Energy: 1.5339077839099113
Energy: 1.524743693765826
Energy: 1.5339077839099113
Energy: 1.5377690669233168
Energy: 1.6041971352537705
Energy: 1.5331858955516013
Energy: 1.6041971352537705
Energy: 1.5373407307116704
Energy: 1.576048875221102
Energy: 1.7452977083544001
Energy: 1.576048875221102
Energy: 1.5787114111102942
Energy: 1.5344079839335096
Energy: 1.7614769918527642
Energy: 1.5344079839335096
Energy: 1.701754553618289
Energy: 1.6073041704493907
Energy: 1.763950429999581
Energy: 1.6073041704493907
Energy: 1.5188385455976314
Energy: 1.547459861641905
Energy: 1.7806824641919743
Energy: 1.547459861641905
Energy: 1.5186551815612448
Energy: 1.6044989474744837
Energy: 1.5121499891754313
Energy: 1.6044989474744837
Energy: 1.772846867766535
Energy: 1.5303915812934321
Energy: 1.5253638818305488
Energy: 1.5303915812934321
Energy: 1.7794356784742689
Energy: 1.5117291225248453
Energy: 1.5763727122128595
Energy: 1.5117291225248453
Energy: 1.777221094091228
Energy: 1.5121238588558699
Energy: 1.5764233959887
Energy: 1.5121238588544952
Energy: 1.7939843937156277
Energy: 1.545956635504742
Energy: 1.5296329081876177
Energy: 1.545956635504742
Energy: 1.5183912873062342
Energy: 1.5337669394786837
Energy: 1.517088391569046
Energy: 1.5337669394786837
Energy: 1.5197090839164311
Energy: 1.5184738831514586
Energy: 1.7978012502309877
Energy: 1.5184738831514586
Energy: 1.6648590073047602
Energy: 1.6064378415108025
Energy: 1.7664350511643745
Energy: 1.6064378415108025
Energy: 1.578364366153227
Energy: 1.5344961257389407
Energy: 1.55506789481443
Energy: 1.5344961257389407

minimum gb energy = 1.5035725301294367 eV
minimum distance =  2.25053642815663 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.4228651078061223
Energy: 1.4274915514537025
Energy: 1.5533563678627236
Energy: 1.4274915514537025
Energy: 1.4224969966802126
Energy: 1.427432637777603
Energy: 1.4230145469823932
Energy: 1.427432637777603
Energy: 1.9038270324905233
Energy: 1.4761266450961568
Energy: 1.5200990672834964
Energy: 1.4761266450964805
Energy: 1.5206264888183667
Energy: 1.476121571366005
Energy: 1.9038411717068
Energy: 1.476121571366005
Energy: 1.4229036189717432
Energy: 1.4273941593850472
Energy: 1.422443350084782
Energy: 1.427394159384724
Energy: 1.5533563678652773
Energy: 1.4274915514539903
Energy: 1.422865107806446
Energy: 1.4274915514537025
Energy: 1.4230145469823932
Energy: 1.427432637777891
Energy: 1.4224969966802126
Energy: 1.427432637777891
Energy: 1.5200990672831727
Energy: 1.4761266450961568
Energy: 1.9038270324905233
Energy: 1.4761266450961568
Energy: 1.9038411717068
Energy: 1.476121571366005
Energy: 1.5206264888183667
Energy: 1.4761215713663287
Energy: 1.4224433500844582
Energy: 1.4273941593844002
Energy: 1.4229036189717432
Energy: 1.4273941593850472
Energy: 1.422865107806446
Energy: 1.4274915514537025
Energy: 1.5533563678655653
Energy: 1.4274915514539903
Energy: 1.4224969966802126
Energy: 1.427432637777603
Energy: 1.423014546982717
Energy: 1.427432637777603
Energy: 1.9038270324905233
Energy: 1.4761266450961568
Energy: 1.5200990672834964
Energy: 1.476126645095833

minimum gb energy = 1.4224433500844582 eV
minimum distance =  2.21174397616198 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.7275242869892247
Energy: 1.6731529942949852
Energy: 1.859431717711825
Energy: 1.6731529942949852
Energy: 1.95517923820075
Energy: 1.662259345283249
Energy: 1.6621693045194665
Energy: 1.662259345283249
Energy: 1.6057753521620661
Energy: 1.556655862189279
Energy: 1.5560091868417032
Energy: 1.556655862189279
Energy: 1.583347812282344
Energy: 1.6125724644120605
Energy: 1.6555885945258646
Energy: 1.6125724644120605
Energy: 1.6377052122177371
Energy: 1.6003983691365475
Energy: 1.9507042428114705
Energy: 1.6003983691377188
Energy: 1.900708555542388
Energy: 1.709404597358885
Energy: 1.7083432801540472
Energy: 1.709404597358885
Energy: 1.6431011198815497
Energy: 1.6665126871474272
Energy: 1.9456534692184222
Energy: 1.6665126871474272
Energy: 1.5580937506320298
Energy: 1.5839407574590798
Energy: 1.6175077573356642
Energy: 1.5839407574602513
Energy: 1.6432259204979922
Energy: 1.600707724199962
Energy: 1.5931183868619947
Energy: 1.600707724199962
Energy: 1.7014558394264512
Energy: 1.5568687187196621
Energy: 1.6533055668518866
Energy: 1.5568687187196621
Energy: 1.5933710256548723
Energy: 1.7008541823600023
Energy: 1.898233628107295
Energy: 1.7008541823600023
Energy: 1.9339230065297919
Energy: 1.5596776362799973
Energy: 1.6409230435181588
Energy: 1.5596776362799973
Energy: 1.6085064848635582
Energy: 1.5811411306377696
Energy: 1.5840743347371244
Energy: 1.5811411306365981
Energy: 1.6502839849880795
Energy: 1.664903204900663
Energy: 1.7083085160891018
Energy: 1.664903204900663
Energy: 1.640982258933276
Energy: 1.5838162897175214
Energy: 1.581497379664464
Energy: 1.5838162897175214
Energy: 1.9057843290987302
Energy: 1.581508034880558
Energy: 1.5807487373414855
Energy: 1.581508034880558
Energy: 1.7015259971572894
Energy: 1.581077340601667
Energy: 1.956794325462588
Energy: 1.5810773406028382
Energy: 1.589976505718514
Energy: 1.7007031468712035
Energy: 1.6518780407532345
Energy: 1.700703146872375
Energy: 1.9453870496501744
Energy: 1.6754406239289308
Energy: 1.6372858232204792
Energy: 1.6754406239289308
Energy: 1.5828910017914564
Energy: 1.5816679632959458
Energy: 1.5893494525676817
Energy: 1.581667963294774
Energy: 1.5569401216602055
Energy: 1.5840415476066867
Energy: 1.5875015524252856
Energy: 1.5840415476066867
Energy: 1.7888613602104784
Energy: 1.5576067611378215
Energy: 1.7085120124313546
Energy: 1.5576067611389928
Energy: 1.7295709301694244
Energy: 1.710084355458331
Energy: 1.7148640105512014
Energy: 1.710084355457159
Energy: 1.605446768509035
Energy: 1.6563704701249218
Energy: 1.9101917580360004
Energy: 1.6563704701260933
Energy: 1.582309032485264
Energy: 1.583585471135704
Energy: 1.556007149996291
Energy: 1.583585471135704
Energy: 1.646089994692851
Energy: 1.5984091622480496
Energy: 1.597257455729103
Energy: 1.5984091622468781
Energy: 1.9545157247017593
Energy: 1.569669609633339
Energy: 1.7455732298597568
Energy: 1.5696696096345106
Energy: 1.7266891646290703
Energy: 1.5696226809109204
Energy: 1.745294695667587
Energy: 1.5696226809109204
Energy: 1.9093247778046125
Energy: 1.5983660743363062
Energy: 1.5962963559305678
Energy: 1.5983660743363062
Energy: 1.5832168945474598
Energy: 1.5842801629079597
Energy: 1.555998068712994
Energy: 1.5842801629067882
Energy: 1.6023300333308532
Energy: 1.6167125178396364
Energy: 1.899968347056193
Energy: 1.6167125178396364
Energy: 1.7296653303406322
Energy: 1.5578349345124545
Energy: 1.7084693093655172
Energy: 1.557834934513626
Energy: 1.9016168618714893
Energy: 1.5578907538850506
Energy: 1.7082682962200784
Energy: 1.5578907538862221
Energy: 1.557773036247332
Energy: 1.5844583742094847
Energy: 1.5875194929702268
Energy: 1.5844583742094847
Energy: 1.5687875147645263
Energy: 1.5818704514299227
Energy: 1.5892735613441233
Energy: 1.5818704514299227

minimum gb energy = 1.555998068712994 eV
minimum distance =  2.20652695905793 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.783764440859837
Energy: 1.7656521787347361
Energy: 1.92051635372597
Energy: 1.7656521787345463
Energy: 1.7829841294646567
Energy: 1.653661364071321
Energy: 1.6732956546327167
Energy: 1.653661364071321
Energy: 1.6336864657052494
Energy: 1.6050820951758495
Energy: 1.5571461504044892
Energy: 1.6050820951758495
Energy: 1.5705179183717828
Energy: 1.5777224816817073
Energy: 1.6741001132689457
Energy: 1.5777224816817073
Energy: 1.7140795819123393
Energy: 1.5777552552483765
Energy: 1.774026862296971
Energy: 1.5777552552481866
Energy: 2.061835130399068
Energy: 1.7517720395404932
Energy: 1.5972115443935422
Energy: 1.7517720395404932
Energy: 1.6618294705195613
Energy: 1.6203932209450536
Energy: 1.7736191762185718
Energy: 1.6203932209450536
Energy: 1.5796079229572701
Energy: 1.5782328235241228
Energy: 1.6264349477631446
Energy: 1.5782328235241228
Energy: 1.8060269072948614
Energy: 1.6046615791758614
Energy: 1.6729366620911783
Energy: 1.6046615791758614
Energy: 1.5777581670068483
Energy: 1.6047553369645158
Energy: 1.672968000800031
Energy: 1.6047553369645158
Energy: 1.5777341326764687
Energy: 1.5786647443603286
Energy: 2.050510073380441
Energy: 1.5786647443603286
Energy: 1.8055606459825393
Energy: 1.57779701553562
Energy: 1.7739087831743197
Energy: 1.57779701553581
Energy: 1.7139691210518493
Energy: 1.7517199479117644
Energy: 1.5960780908234653
Energy: 1.7517199479117644
Energy: 1.571125783819573
Energy: 1.6707961241814588
Energy: 2.0870473242055927
Energy: 1.6707961241814588
Energy: 1.5704138251555813
Energy: 1.5779930353394258
Energy: 1.604201161055061
Energy: 1.5779930353392566
Energy: 1.7140698229377207
Energy: 1.6045639444188684
Energy: 1.5574946283108049
Energy: 1.6045639444188684
Energy: 1.782668791002524
Energy: 1.5961989909127337
Energy: 2.01480217762797
Energy: 1.5961989909125434
Energy: 1.7824547486406572
Energy: 1.7227001162724913
Energy: 1.879178790206984
Energy: 1.7227001162724913
Energy: 1.9378763334211067
Energy: 1.6047555885991354
Energy: 1.604404175677057
Energy: 1.6047555885991354
Energy: 1.5703936598884363
Energy: 1.5778897400029903
Energy: 1.5573008726685045
Energy: 1.5778897400027998
Energy: 1.6333586902893362
Energy: 1.6888950671493588
Energy: 1.9864556935294504
Energy: 1.6888950671493588
Energy: 1.713759556642998
Energy: 1.5777498641179928
Energy: 1.595956940014566
Energy: 1.5777498641179928

minimum gb energy = 1.5571461504044892 eV
minimum distance =  2.20907061521349 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.8425280059170346
Energy: 1.7872037321668093
Energy: 2.0016296056464324
Energy: 1.7872037321668093
Energy: 1.841635325791517
Energy: 1.6682753970222346
Energy: 1.601773284202344
Energy: 1.6682753970209203
Energy: 1.6002829785465655
Energy: 1.580901332324088
Energy: 1.5810241590617746
Energy: 1.580901332324088
Energy: 1.6041952832947923
Energy: 1.5647347253260642
Energy: 1.5811906915800817
Energy: 1.5647347253260642
Energy: 1.6635387288341743
Energy: 1.580384607717432
Energy: 1.5640595179483787
Energy: 1.580384607717432
Energy: 2.107510887649143
Energy: 1.5642380311712827
Energy: 1.5677310516780172
Energy: 1.5642380311712827
Energy: 1.6135448421572833
Energy: 1.671335265778798
Energy: 1.8683696057551262
Energy: 1.671335265778798
Energy: 1.5676503007087412
Energy: 1.5642920217888683
Energy: 1.6598823846289146
Energy: 1.5642920217888683
Energy: 1.8670141195778818
Energy: 1.5810092832912317
Energy: 1.6204525281097464
Energy: 1.5810092832912317
Energy: 1.5804411223098724
Energy: 1.5644928427026457
Energy: 1.6044282507239351
Energy: 1.5644928427026457
Energy: 1.5805836814536476
Energy: 1.5814090898643451
Energy: 1.6652959162176673
Energy: 1.5814090898643451
Energy: 2.073488422218211
Energy: 1.5646318028971171
Energy: 1.8398876426036943
Energy: 1.5646318028971171
Energy: 1.9584964656215222
Energy: 1.5650139660249838
Energy: 1.8430733950487594
Energy: 1.5650139660249838
Energy: 1.5810198561975708
Energy: 1.582001477839983
Energy: 2.025088194885308
Energy: 1.582001477841297
Energy: 1.5805579777566308
Energy: 1.565010933658472
Energy: 1.599956632984073
Energy: 1.5650109336597862
Energy: 1.8722187134113701
Energy: 1.6618655011018575
Energy: 1.6188932855047413
Energy: 1.6618655011018575
Energy: 1.563992453623597
Energy: 1.5645949170729483
Energy: 1.6598479140339901
Energy: 1.5645949170729483
Energy: 1.5647346529428372
Energy: 1.581039977704531
Energy: 1.9821357106406292
Energy: 1.5810399777058453
Energy: 2.104358382336387
Energy: 1.5647809522951606
Energy: 1.5639724906691843
Energy: 1.5647809522951606
Energy: 1.6598979438059125
Energy: 1.5809505616977508
Energy: 1.5640243613313607
Energy: 1.5809505616977508
Energy: 1.5998839785094086
Energy: 1.7220392254620158
Energy: 1.7005039276395395
Energy: 1.7220392254620158
Energy: 1.5998357600336497
Energy: 1.580758183420895
Energy: 1.5856290318932906
Energy: 1.580758183420895
Energy: 1.841110860818052
Energy: 1.6540153350323978
Energy: 1.6210630555956969
Energy: 1.6540153350323978
Energy: 1.839633736252746
Energy: 1.7908187596146026
Energy: 1.9574810880570892
Energy: 1.790818759615917
Energy: 1.840363342586943
Energy: 1.5644151583668502
Energy: 1.6008731141742767
Energy: 1.5644151583668502
Energy: 1.6599384974405236
Energy: 1.5810023142737881
Energy: 1.5853704876262609
Energy: 1.5810023142737881
Energy: 1.6004852842923623
Energy: 1.5642414773588498
Energy: 1.580559041581564
Energy: 1.5642414773588498
Energy: 1.659872698609471
Energy: 1.5808906324167342
Energy: 1.8675363934896434
Energy: 1.5808906324167342
Energy: 1.659936345230699
Energy: 1.5641655888764776
Energy: 1.5639236967719288
Energy: 1.5641655888764776
Energy: 1.8669468218067717
Energy: 1.671096214475776
Energy: 1.8672918478133316
Energy: 1.671096214475776
Energy: 1.5639264206473065
Energy: 1.5640174544409349
Energy: 1.6599363452293845
Energy: 1.5640174544409349

minimum gb energy = 1.5639236967719288 eV
minimum distance =  2.22973704502166 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.4672042892521346
Energy: 1.4980761261698963
Energy: 2.3461112164099474
Energy: 1.4980761261703543
Energy: 1.8954915645475872
Energy: 1.5256744284432526
Energy: 1.496968984672522
Energy: 1.5256744284437103
Energy: 1.7916573349990401
Energy: 1.4515064302940344
Energy: 1.4521910588309583
Energy: 1.4515064302940344
Energy: 1.9695488678321411
Energy: 1.498011928042538
Energy: 1.452021039601617
Energy: 1.498011928042538
Energy: 2.0046850976349977
Energy: 1.4516168210937679
Energy: 1.4517531564818689
Energy: 1.4516168210937679
Energy: 1.6918656799177507
Energy: 1.452914837643587
Energy: 1.4514512932170223
Energy: 1.452914837643587
Energy: 1.6639077466465004
Energy: 1.4513686976698799
Energy: 1.7317199709075328
Energy: 1.4513686976694475
Energy: 1.465841314941196
Energy: 1.4529198104803756
Energy: 2.0588271995430443
Energy: 1.4529198104803756
Energy: 1.925049469395928
Energy: 1.4522322543720785
Energy: 1.496743380365826
Energy: 1.4522322543716204

minimum gb energy = 1.4513686976694475 eV
minimum distance =  2.29305366296054 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.752695071357291
Energy: 1.5682385508096406
Energy: 2.429254813272447
Energy: 1.5682385508071577
Energy: 1.7269800588271493
Energy: 1.5438952985162275
Energy: 1.6977073220488488
Energy: 1.5438952985162275
Energy: 1.5852082507733296
Energy: 1.6374195224313346
Energy: 1.5794224490714217
Energy: 1.6374195224300931
Energy: 1.585162479728014
Energy: 1.5747562823925734
Energy: 1.7242730596738862
Energy: 1.5747562823913317
Energy: 1.5357153370249137
Energy: 1.5752659224759915
Energy: 1.5469871992230968
Energy: 1.5752659224747498
Energy: 1.6281256569609133
Energy: 1.5966587456350132
Energy: 1.5471179891223072
Energy: 1.596658745633772
Energy: 1.7001114640533606
Energy: 1.5721746093127684
Energy: 1.6993143597438003
Energy: 1.5721746093127684
Energy: 1.7003882633608842
Energy: 1.5723273276792589
Energy: 1.8712703923815368
Energy: 1.5723273276792589
Energy: 2.0573946085200645
Energy: 1.549258885431568
Energy: 1.7120924464286271
Energy: 1.5492588854303266
Energy: 1.9036270496926502
Energy: 1.5492712441488417
Energy: 1.7121721683743818
Energy: 1.5492712441476002
Energy: 1.5802362803911802
Energy: 1.577669502852877
Energy: 1.7262268466108026
Energy: 1.5776695028541188
Energy: 1.5775679209869722
Energy: 1.5768567266191134
Energy: 1.5545526506604774
Energy: 1.5768567266191134
Energy: 1.716607017580894
Energy: 1.6005790791744108
Energy: 1.553460107898651
Energy: 1.6005790791744108
Energy: 1.5439195562344903
Energy: 1.5753387852708662
Energy: 1.5532896319354743
Energy: 1.575338785272108
Energy: 1.5778069258513963
Energy: 1.757064364123477
Energy: 1.7305442270746736
Energy: 1.757064364123477
Energy: 1.9018618540294023
Energy: 1.5456348248870715
Energy: 1.712342887875596
Energy: 1.5456348248858298
Energy: 1.6740606394753312
Energy: 1.548473453255299
Energy: 1.60556807156867
Energy: 1.5484734532565403
Energy: 1.588053158761025
Energy: 1.5738028905545358
Energy: 1.8781986234186987
Energy: 1.5738028905545358
Energy: 1.702509115898501
Energy: 1.550184837904222
Energy: 1.6249103970099361
Energy: 1.5501848379054637
Energy: 1.5652480840382972
Energy: 1.5966388082427
Energy: 1.5470116432656686
Energy: 1.5966388082439418
Energy: 1.5689981631273326
Energy: 1.5749054451015512
Energy: 1.594430941694739
Energy: 1.5749054451015512
Energy: 1.6738240349210012
Energy: 1.5753527052194962
Energy: 1.5725816019903294
Energy: 1.5753527052194962
Energy: 1.5853838464931636
Energy: 1.5760455762759726
Energy: 1.5726431446138325
Energy: 1.5760455762759726
Energy: 1.8895550798762382
Energy: 1.560983104576323
Energy: 2.049728216220149
Energy: 1.5609831045750815
Energy: 1.8886706023196969
Energy: 1.5607544177598287
Energy: 2.0522991137457494
Energy: 1.5607544177585873
Energy: 1.7146229817916687
Energy: 1.5753270256056946
Energy: 1.5725797745695946
Energy: 1.5753270256056946
Energy: 1.5894384285216587
Energy: 1.57613713521764
Energy: 1.5724859386317205
Energy: 1.57613713521764
Energy: 1.606134080241955
Energy: 1.5678054288961367
Energy: 1.7434757320599357
Energy: 1.5678054288973784
Energy: 1.5691476413292698
Energy: 1.5766492970420554
Energy: 1.5472561646057614
Energy: 1.5766492970408137
Energy: 1.7122533014741945
Energy: 1.7094087618871583
Energy: 1.636352380805182
Energy: 1.7094087618859168
Energy: 1.7081601949426544
Energy: 1.573425834159192
Energy: 1.6982120377298013
Energy: 1.573425834159192
Energy: 1.6999192352753127
Energy: 1.5415667796844594
Energy: 1.7759858158543707
Energy: 1.541566779683218
Energy: 2.052358737136963
Energy: 1.5462448865127552
Energy: 1.7187773381852847
Energy: 1.5462448865127552

minimum gb energy = 1.5357153370249137 eV
minimum distance =  2.18993590700655 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.5677207997332245
Energy: 1.5216637162527487
Energy: 2.301793516200703
Energy: 1.5216637162527487
Energy: 1.5541311475710289
Energy: 1.5152341370500413
Energy: 1.5617178879876852
Energy: 1.5152341370500413
Energy: 1.684555786416431
Energy: 1.5441091526504842
Energy: 1.590909812099668
Energy: 1.5441091526504842
Energy: 1.5613075656035014
Energy: 1.5451461186109634
Energy: 1.5689188039246895
Energy: 1.5451461186109634
Energy: 1.5092524562897363
Energy: 1.5213932880705903
Energy: 1.5091295520940542
Energy: 1.521393288072307
Energy: 1.5096086250542708
Energy: 1.5493620460978885
Energy: 1.5090246407217895
Energy: 1.5493620460978885
Energy: 1.5696341002296206
Energy: 1.542951627617515
Energy: 1.683906216000969
Energy: 1.542951627617515
Energy: 1.5691097922507147
Energy: 1.543842341371578
Energy: 1.6867528181799372
Energy: 1.543842341371578
Energy: 1.7397637223197457
Energy: 1.5213796363632217
Energy: 1.554838972307414
Energy: 1.5213796363632217
Energy: 1.7397637223214621
Energy: 1.5214036597522929
Energy: 1.5548905600217093
Energy: 1.5214036597522929
Energy: 1.5690937805592633
Energy: 1.5438519027688067
Energy: 1.6867528181799372
Energy: 1.5438519027688067
Energy: 1.56986423613725
Energy: 1.542943134553245
Energy: 1.6839062160044023
Energy: 1.542943134553245
Energy: 1.5095828488239267
Energy: 1.5493321190706553
Energy: 1.509011966752769
Energy: 1.5493321190706553
Energy: 1.5092535416163841
Energy: 1.5214033036213057
Energy: 1.5091607047726812
Energy: 1.5214033036213057
Energy: 1.5612883338154722
Energy: 1.5453513053707983
Energy: 1.568901942096655
Energy: 1.5453513053707983
Energy: 1.6845557864181089
Energy: 1.5441094085129934
Energy: 1.5909388235551143
Energy: 1.5441094085129934
Energy: 1.5541894466479227
Energy: 1.5152514123129603
Energy: 1.5617202888207935
Energy: 1.5152514123129603
Energy: 1.5677207997332245
Energy: 1.5216637162527487
Energy: 2.301793516188687
Energy: 1.5216637162527487
Energy: 1.5541311475710289
Energy: 1.5152341370500413
Energy: 1.5617178879876852
Energy: 1.5152341370500413
Energy: 1.684555786416431
Energy: 1.5441091526504842
Energy: 1.590909812099668
Energy: 1.5441091526504842
Energy: 1.561307565605218
Energy: 1.5451461186109634
Energy: 1.5689188039246895
Energy: 1.5451461186109634
Energy: 1.5092524562897363
Energy: 1.521393288072307
Energy: 1.5091295520940542
Energy: 1.5213932880705903
Energy: 1.5096086250542708
Energy: 1.5493620460978885
Energy: 1.5090246407217895
Energy: 1.5493620460978885
Energy: 1.5696341002296206
Energy: 1.542951627617515
Energy: 1.683906216000969
Energy: 1.542951627617515

minimum gb energy = 1.509011966752769 eV
minimum distance =  2.20842849048019 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.8160219226522676
Energy: 1.5756336663748456
Energy: 2.3421889346468743
Energy: 1.5756336663748456
Energy: 1.5605250235069679
Energy: 1.5636247586165501
Energy: 1.6535280762648903
Energy: 1.563624758615489
Energy: 1.5681395459844687
Energy: 1.5564979328108743
Energy: 1.564055589695797
Energy: 1.5564979328098134
Energy: 1.5301130099549325
Energy: 1.6260640697434698
Energy: 1.7474964982343717
Energy: 1.6260640697434698
Energy: 1.5394444617401724
Energy: 1.5472265897652369
Energy: 1.5485716997412622
Energy: 1.5472265897652369
Energy: 1.5688535663520893
Energy: 1.5612275449739403
Energy: 1.5515437843223645
Energy: 1.5612275449739403
Energy: 1.5513881316860194
Energy: 1.552891292988854
Energy: 1.5449717728913066
Energy: 1.552891292988854
Energy: 1.5530336863625378
Energy: 1.5524210365551987
Energy: 1.5521739283346339
Energy: 1.5524210365551987
Energy: 1.7770638633414917
Energy: 1.5465757783649945
Energy: 1.7789283029249265
Energy: 1.5465757783639333
Energy: 1.8107447049834755
Energy: 1.5465213085599467
Energy: 1.7762866829122528
Energy: 1.5465213085599467
Energy: 1.6220125230421363
Energy: 1.5412236033801654
Energy: 1.5522600695658513
Energy: 1.5412236033780435
Energy: 1.6212801864971789
Energy: 1.5406150229510966
Energy: 1.5829037407554265
Energy: 1.540615022952158
Energy: 1.568252285225504
Energy: 1.560138883147579
Energy: 1.5552586973415514
Energy: 1.5601388831486398
Energy: 1.5294045643812602
Energy: 1.5475759053439369
Energy: 1.5570501483084507
Energy: 1.5475759053439369
Energy: 1.535906930654709
Energy: 1.5756286922310045
Energy: 1.5551268832132599
Energy: 1.5756286922310045
Energy: 1.5289944323601496
Energy: 1.5533230195802399
Energy: 1.5292133346012386
Energy: 1.5533230195813013
Energy: 1.737394969685593
Energy: 1.515698191559985
Energy: 1.619446544058216
Energy: 1.515698191559985
Energy: 1.6220942703621437
Energy: 1.5594262257687377
Energy: 1.8116665084185208
Energy: 1.5594262257687377
Energy: 1.6490034615350482
Energy: 1.545592584171746
Energy: 1.6590269140151632
Energy: 1.545592584171746
Energy: 1.9024994353545843
Energy: 1.5479210927520977
Energy: 1.6393777583524471
Energy: 1.5479210927520977
Energy: 1.591298559428667
Energy: 1.5760431933982235
Energy: 1.5871350469537615
Energy: 1.5760431933971628
Energy: 1.5651958132819959
Energy: 1.5482389240231529
Energy: 1.5449688888775672
Energy: 1.5482389240242143
Energy: 1.620432548114964
Energy: 1.5861737206587891
Energy: 1.5912701645044023
Energy: 1.5861737206577282
Energy: 1.533108154526958
Energy: 1.5537781656301446
Energy: 1.5161273413378453
Energy: 1.5537781656290839
Energy: 1.5395026248235717
Energy: 1.5790966961851562
Energy: 1.5923501321665434
Energy: 1.5790966961851562
Energy: 1.5691229559076492
Energy: 1.548145932950133
Energy: 1.55605252602576
Energy: 1.5481459329490719
Energy: 1.6556282183225173
Energy: 1.5483473003457908
Energy: 1.6160484241058457
Energy: 1.5483473003457908
Energy: 1.7957916260541895
Energy: 1.5248619412911195
Energy: 1.9938530450210172
Energy: 1.5248619412911195
Energy: 1.788151620947696
Energy: 1.525207076568574
Energy: 1.591848805823949
Energy: 1.525207076567513
Energy: 1.5678735268233983
Energy: 1.5485614333864965
Energy: 1.5560555082876184
Energy: 1.5485614333864965
Energy: 1.5711707637538805
Energy: 1.5486967828946951
Energy: 1.6159936384286269
Energy: 1.5486967828946951
Energy: 1.532893193022959
Energy: 1.5739115678297126
Energy: 1.5454625563152886
Energy: 1.5739115678307734
Energy: 1.538570497208542
Energy: 1.5540007835796272
Energy: 1.515984154168925
Energy: 1.5540007835806884
Energy: 1.6257090523071984
Energy: 1.5580122850430402
Energy: 1.544891442182835
Energy: 1.5580122850419793
Energy: 1.5556407845656561
Energy: 1.5484877299166158
Energy: 1.552365301162671
Energy: 1.5484877299155548
Energy: 1.61985958569949
Energy: 1.51211036501062
Energy: 1.7465487586824484
Energy: 1.51211036501062
Energy: 1.9811662799087715
Energy: 1.5485603289655228
Energy: 1.6452593150058192
Energy: 1.5485603289634005
Energy: 1.73773926243509
Energy: 1.5451086709325321
Energy: 1.5870462098120792
Energy: 1.5451086709325321

minimum gb energy = 1.51211036501062 eV
minimum distance =  2.1929971684686 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.659399593461191
Energy: 1.483045327151545
Energy: 2.4818181888597923
Energy: 1.4830453271521127
Energy: 1.573873680939451
Energy: 1.505283675970603
Energy: 1.594453771221552
Energy: 1.505283675970603
Energy: 1.6497402520911921
Energy: 1.4717889948967011
Energy: 1.45721722745728
Energy: 1.4717889948967011
Energy: 1.493090987387268
Energy: 1.5096781936592227
Energy: 1.677638389947951
Energy: 1.5096781936592227
Energy: 1.4817219049905075
Energy: 1.495543595180388
Energy: 1.5017646482756712
Energy: 1.495543595180388
Energy: 1.472084119708985
Energy: 1.6496802466790426
Energy: 1.5021739787912836
Energy: 1.6496802466790426
Energy: 1.4727188606757946
Energy: 1.4720824773910328
Energy: 1.5015643824748939
Energy: 1.4720824773913168
Energy: 1.4714658174969537
Energy: 1.5134156749384071
Energy: 1.6121058155063555
Energy: 1.513415674938691
Energy: 1.6489946492934475
Energy: 1.4956197830099192
Energy: 1.4502510526703765
Energy: 1.4956197830099192
Energy: 1.4718113335335088
Energy: 1.496349166257366
Energy: 1.4489557970768643
Energy: 1.49634916625765
Energy: 1.6222823129350552
Energy: 1.4719320884286062
Energy: 1.611773332702495
Energy: 1.4719320884288902
Energy: 1.6223099287976488
Energy: 1.4726319311004672
Energy: 1.6121244686719842
Energy: 1.4726319311001834
Energy: 1.650165020877707
Energy: 1.49561414367804
Energy: 1.4504756756866517
Energy: 1.4956141436786075
Energy: 1.6494158498449112
Energy: 1.497571444807867
Energy: 1.4489925379395359
Energy: 1.497571444807583
Energy: 1.472188416356223
Energy: 1.495665037258859
Energy: 1.6120044285400021
Energy: 1.495665037258859

minimum gb energy = 1.4489557970768643 eV
minimum distance =  2.19538926215195 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.5150840926820266
Energy: 1.430979533542383
Energy: 2.2960270208763673
Energy: 1.430979533542383
Energy: 1.4540122936909248
Energy: 1.4150091801041735
Energy: 1.440140291866622
Energy: 1.4150091801041735
Energy: 1.5337618125706487
Energy: 1.427770491493067
Energy: 1.4756295479761816
Energy: 1.42777049149074
Energy: 1.4518986815568795
Energy: 1.4285815466193366
Energy: 1.4587510560623282
Energy: 1.4285815466205003
Energy: 1.4027518193014472
Energy: 1.4438161091029826
Energy: 1.4684377648464837
Energy: 1.4438161091029826
Energy: 1.4712060556846358
Energy: 1.444147046395357
Energy: 1.456480420658633
Energy: 1.4441470463965207
Energy: 1.4106653937023457
Energy: 1.4284714635121623
Energy: 1.4152104791165474
Energy: 1.4284714635133258
Energy: 1.4102392629415303
Energy: 1.4297742693745417
Energy: 1.410952096515888
Energy: 1.4297742693745417
Energy: 1.461640883656881
Energy: 1.4439305975018253
Energy: 1.3975769825960482
Energy: 1.4439305975029888
Energy: 1.4730088513721764
Energy: 1.4445445993676804
Energy: 1.4721806527812542
Energy: 1.4445445993676804
Energy: 1.461356840867224
Energy: 1.4285954434222536
Energy: 1.5349153439196295
Energy: 1.4285954434222536
Energy: 1.4595763657193273
Energy: 1.4302287712386064
Energy: 1.410118440589203
Energy: 1.4302287712386064
Energy: 1.4789299805161247
Energy: 1.4221307622315547
Energy: 1.501854195558829
Energy: 1.4221307622315547
Energy: 1.4685819878628068
Energy: 1.4238147882282741
Energy: 1.6625160789466416
Energy: 1.4238147882294376
Energy: 1.461272868966869
Energy: 1.4291292851940602
Energy: 1.5336671998550842
Energy: 1.4291292851952238
Energy: 1.4594094210082595
Energy: 1.4296750935693074
Energy: 1.5409105310731948
Energy: 1.429675093568144
Energy: 1.4791912519022088
Energy: 1.4446621030268556
Energy: 1.3976766636207618
Energy: 1.4446621030268556
Energy: 1.468866054552168
Energy: 1.4450466741755583
Energy: 1.4724738174680956
Energy: 1.4450466741755583
Energy: 1.4104983439429937
Energy: 1.429760094925557
Energy: 1.4103854550294475
Energy: 1.429760094925557
Energy: 1.4103787593043164
Energy: 1.4297531791725102
Energy: 1.4104977310515345
Energy: 1.4297531791725102
Energy: 1.4724703495049685
Energy: 1.4450240306207165
Energy: 1.468931958120385
Energy: 1.4450240306207165
Energy: 1.3976664419786085
Energy: 1.4446655586825177
Energy: 1.4791912519068633
Energy: 1.4446655586825177
Energy: 1.5409105310755218
Energy: 1.4297158904465574
Energy: 1.4594314211286337
Energy: 1.4297158904465574
Energy: 1.533667199858575
Energy: 1.4291391387526156
Energy: 1.4612750510588755
Energy: 1.429139138751452
Energy: 1.662682802983165
Energy: 1.4237499536888558
Energy: 1.4684799215243736
Energy: 1.4237499536888558
Energy: 1.5018365824939977
Energy: 1.4221341840365447
Energy: 1.4789299805126337
Energy: 1.422134184035381
Energy: 1.410101475680877
Energy: 1.4302288813077546
Energy: 1.4595639287182909
Energy: 1.4302288813077546
Energy: 1.534915343920793
Energy: 1.4285708984472347
Energy: 1.4613596765401997
Energy: 1.4285708984483985
Energy: 1.4721904230499931
Energy: 1.4447889527619073
Energy: 1.4731787330152812
Energy: 1.4447889527619073
Energy: 1.3977150581943512
Energy: 1.443929207076779
Energy: 1.4616401578827583
Energy: 1.4439292070779426
Energy: 1.4109331832116272
Energy: 1.429745811920331
Energy: 1.4102157906415207
Energy: 1.4297458119191675
Energy: 1.4152097364828038
Energy: 1.4284385331980616
Energy: 1.4106701531389785
Energy: 1.428438533199225
Energy: 1.456485683294415
Energy: 1.4441293946368576
Energy: 1.4712125233719842
Energy: 1.4441293946368576
Energy: 1.46172223020524
Energy: 1.4436148923556893
Energy: 1.4027547435887424
Energy: 1.4436148923556893
Energy: 1.4582506848529435
Energy: 1.4286214594633178
Energy: 1.451942451765113
Energy: 1.4286214594644286

minimum gb energy = 1.3975769825960482 eV
minimum distance =  2.22000639359999 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.5410900070918445
Energy: 1.3940349091591315
Energy: 1.6461163225383333
Energy: 1.3940349091591315
Energy: 1.3698930780245626
Energy: 1.4128590546715178
Energy: 1.4134369666367095
Energy: 1.4128590546715178
Energy: 1.5178146618439763
Energy: 1.3426202847576318
Energy: 1.4502262827597932
Energy: 1.3426202847576318
Energy: 1.4336523808500974
Energy: 1.4257797143865854
Energy: 1.4567562916165837
Energy: 1.425779714386972
Energy: 1.3748305167513084
Energy: 1.3432557690194185
Energy: 1.455599603677343
Energy: 1.3432557690196232
Energy: 1.5104655125981152
Energy: 1.386589575117759
Energy: 1.390569467611344
Energy: 1.386589575117759
Energy: 1.3567434381595551
Energy: 1.3428866446231278
Energy: 1.3572839939192023
Energy: 1.3428866446233325
Energy: 1.3564232649224843
Energy: 1.4678691480400938
Energy: 1.3742333352002645
Energy: 1.4678691480400938
Energy: 1.3602106115955175
Energy: 1.3436579923256782
Energy: 1.3738615870517041
Energy: 1.3436579923258603
Energy: 1.5092404843107454
Energy: 1.3868186902426312
Energy: 1.3741887030550202
Energy: 1.3868186902422217
Energy: 1.3539788557058074
Energy: 1.3429232946986198
Energy: 1.427870415173438
Energy: 1.3429232946986198
Energy: 1.3538235964264673
Energy: 1.3680577110218426
Energy: 1.3742132423252162
Energy: 1.3680577110218426
Energy: 1.5180909454835136
Energy: 1.3435520041912834
Energy: 1.4560398606185312
Energy: 1.3435520041911013
Energy: 1.3696065135088287
Energy: 1.342934187365701
Energy: 1.4568025309120913
Energy: 1.342934187365701
Energy: 1.5049554225003987
Energy: 1.3951663051520924
Energy: 1.4550978024307146
Energy: 1.3951663051522971
Energy: 1.5052307960561047
Energy: 1.3500532619225658
Energy: 1.3918957003882384
Energy: 1.3500532619225658
Energy: 1.5180550402836732
Energy: 1.3439007984735363
Energy: 1.4560428351670662
Energy: 1.3439007984735363
Energy: 1.448510994298104
Energy: 1.3428636566148489
Energy: 1.456736870186469
Energy: 1.3428636566146441
Energy: 1.3538741921800068
Energy: 1.3430068128149142
Energy: 1.4552670897734523
Energy: 1.343006812814732
Energy: 1.3540531184585243
Energy: 1.3686880577313374
Energy: 1.4550110056400167
Energy: 1.3686880577313374

minimum gb energy = 1.3426202847576318 eV
minimum distance =  2.23021871582221 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.450781470120428
Energy: 1.2463669857908841
Energy: 1.4423494423464682
Energy: 1.2463669857924475
Energy: 1.276213686748286
Energy: 1.5350458023614568
Energy: 1.2529487653632945
Energy: 1.5350458023614568
Energy: 1.3565157472774183
Energy: 1.2311556212017687
Energy: 1.3938265301364776
Energy: 1.2311556212017687
Energy: 1.3025386813688746
Energy: 1.2368842494914527
Energy: 1.2530280814161883
Energy: 1.2368842494914527
Energy: 1.311824140025303
Energy: 1.2089036328957545
Energy: 1.300244186861683
Energy: 1.2089036328957545
Energy: 1.327824831872067
Energy: 1.238992719688369
Energy: 1.3145507146964561
Energy: 1.238992719688369
Energy: 1.24723926748322
Energy: 1.2111395307027903
Energy: 1.2903441969885048
Energy: 1.2111395307027903
Energy: 1.298680955695443
Energy: 1.2682938643261055
Energy: 1.3834683436451305
Energy: 1.2682938643276689
Energy: 1.2414794763174122
Energy: 1.2103202351325244
Energy: 1.2483150127550888
Energy: 1.2103202351340874
Energy: 1.2850280140640513
Energy: 1.3352978803585627
Energy: 1.247694148479318
Energy: 1.3352978803585627
Energy: 1.2346415052950035
Energy: 1.2106422469403342
Energy: 1.2550633413789536
Energy: 1.2106422469403342
Energy: 1.2848659656261143
Energy: 1.2680477655485194
Energy: 1.3911890322957299
Energy: 1.2680477655485194
Energy: 1.2476116140461326
Energy: 1.2102052407453323
Energy: 1.2714671881115693
Energy: 1.2102052407453323
Energy: 1.2852999693069123
Energy: 1.2238539171888718
Energy: 1.298708395670275
Energy: 1.223853917190435
Energy: 1.293820873596772
Energy: 1.2105050490097755
Energy: 1.3007211822815516
Energy: 1.2105050490113385
Energy: 1.3438002804570346
Energy: 1.2089567049922438
Energy: 1.253066167854392
Energy: 1.208956704993807
Energy: 1.3522592600808254
Energy: 1.2330065968180954
Energy: 1.3622225940935755
Energy: 1.2330065968180954
Energy: 1.2565583715939257
Energy: 1.2435649284093946
Energy: 1.3257582088780842
Energy: 1.2435649284093946
Energy: 1.4185292416295394
Energy: 1.2469925162496285
Energy: 1.2988397403049614
Energy: 1.2469925162496285
Energy: 1.4738205191181137
Energy: 1.2479966699256857
Energy: 1.2528109223157116
Energy: 1.2479966699256857
Energy: 1.3521001073451715
Energy: 1.2323979435604238
Energy: 1.3623525110462436
Energy: 1.2323979435604238
Energy: 1.266587130731637
Energy: 1.225595673921684
Energy: 1.3646933434457493
Energy: 1.2255956739201563
Energy: 1.2938211445836958
Energy: 1.210364651556907
Energy: 1.2990538862442547
Energy: 1.210364651556907
Energy: 1.3438031396511105
Energy: 1.210014768224204
Energy: 1.329260201090854
Energy: 1.210014768224204
Energy: 1.2462418592347506
Energy: 1.2085556767265337
Energy: 1.271453524589189
Energy: 1.2085556767265337
Energy: 1.2997645614748552
Energy: 1.2243528124695715
Energy: 1.2719582704062353
Energy: 1.2243528124695715

minimum gb energy = 1.2085556767265337 eV
minimum distance =  2.23514978769996 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.405285432933215
Energy: 1.1527991202105716
Energy: 1.5902050225525157
Energy: 1.1527991202105716
Energy: 1.1637468023518696
Energy: 1.2535019903570466
Energy: 1.182292798128184
Energy: 1.253501990355765
Energy: 1.2312544708390942
Energy: 1.1202198510093795
Energy: 1.3183275631077764
Energy: 1.1202198510093795
Energy: 1.1700763220136072
Energy: 1.142511338625044
Energy: 1.1822088032665676
Energy: 1.142511338625044
Energy: 1.2880176847769618
Energy: 1.109927986666042
Energy: 1.1834974441052604
Energy: 1.1099279866673237
Energy: 1.170222560428563
Energy: 1.1359186447954475
Energy: 1.2206219941764
Energy: 1.1359186447954475
Energy: 1.177852403324902
Energy: 1.0986463512900946
Energy: 1.2227353852037517
Energy: 1.0986463512900946
Energy: 1.2695321130285082
Energy: 1.1507183539243164
Energy: 1.2625320165510376
Energy: 1.1507183539243164
Energy: 1.2120312891074674
Energy: 1.0984934177106616
Energy: 1.1485373031694337
Energy: 1.0984934177106616
Energy: 1.282764087721007
Energy: 1.1992677167199604
Energy: 1.2334337721518864
Energy: 1.1992677167199604
Energy: 1.1710374086444861
Energy: 1.0985479184788238
Energy: 1.1673757238161866
Energy: 1.0985479184788238
Energy: 1.1696107376465716
Energy: 1.2339931077594946
Energy: 1.2055799360451096
Energy: 1.2339931077594946
Energy: 1.1760624711567218
Energy: 1.0984045196850223
Energy: 1.1623750475708847
Energy: 1.0984045196837409
Energy: 1.2861526985653686
Energy: 1.1684862796331668
Energy: 1.2290353931947113
Energy: 1.1684862796331668
Energy: 1.1956153181257492
Energy: 1.0983539517509735
Energy: 1.1527302840288807
Energy: 1.0983539517509735
Energy: 1.2184794203214702
Energy: 1.107622833770989
Energy: 1.2085785470956707
Energy: 1.1076228337722707
Energy: 1.1821844226019218
Energy: 1.098309653310735
Energy: 1.2067401821733748
Energy: 1.098309653310735
Energy: 1.1691768450334845
Energy: 1.1950023420663556
Energy: 1.2460279742356684
Energy: 1.195002342065074
Energy: 1.2622069503185247
Energy: 1.1098750235699175
Energy: 1.1834696282064314
Energy: 1.1098750235699175
Energy: 1.2540239956525163
Energy: 1.1360401336573045
Energy: 1.1517980898094127
Energy: 1.1360401336585857
Energy: 1.2282502859488258
Energy: 1.120519430112512
Energy: 1.2930357116020628
Energy: 1.120519430112512
Energy: 1.1632789286729786
Energy: 1.158074625414985
Energy: 1.2587190998866937
Energy: 1.158074625414985
Energy: 1.3684889990667433
Energy: 1.1533531402619457
Energy: 1.1882381785248262
Energy: 1.1533531402619457
Energy: 1.2913884989698168
Energy: 1.1521209398121683
Energy: 1.1518370202584802
Energy: 1.1521209398121683
Energy: 1.2276558357517402
Energy: 1.1204540908393388
Energy: 1.2930047841424939
Energy: 1.1204540908406202
Energy: 1.1719811359483512
Energy: 1.1215928732553304
Energy: 1.3402834312819019
Energy: 1.1215928732553304
Energy: 1.2622338352566085
Energy: 1.1101334272240346
Energy: 1.1878884927343054
Energy: 1.1101334272240346
Energy: 1.2538745388550496
Energy: 1.1092756983403094
Energy: 1.1797154710219984
Energy: 1.109275698339028
Energy: 1.179234508742898
Energy: 1.0982969688506763
Energy: 1.2067817924662783
Energy: 1.0982969688493947
Energy: 1.2346490930400678
Energy: 1.097968769010607
Energy: 1.2556272175018344
Energy: 1.0979687690093254
Energy: 1.1956799513827039
Energy: 1.0982265194016811
Energy: 1.150081798957129
Energy: 1.0982265194016811
Energy: 1.195956512463888
Energy: 1.1061689129353813
Energy: 1.2004658197861011
Energy: 1.1061689129353813

minimum gb energy = 1.0979687690093254 eV
minimum distance =  2.25638183943719 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.3212391869751214
Energy: 1.0577088260606906
Energy: 1.4372636389103581
Energy: 1.0577088260606906
Energy: 1.1070564866188533
Energy: 1.1708923493933987
Energy: 1.0878880647680145
Energy: 1.17089234939557
Energy: 1.1330587980163163
Energy: 1.0464144295081208
Energy: 1.2538183362816255
Energy: 1.0464144295070352
Energy: 1.1098357534685552
Energy: 1.1512143286412682
Energy: 1.087485962610066
Energy: 1.1512143286412682
Energy: 1.2233870564798515
Energy: 1.0270355238393694
Energy: 1.0926494438651646
Energy: 1.0270355238393694
Energy: 1.1097048969911356
Energy: 1.061210309358209
Energy: 1.1038636958238022
Energy: 1.061210309358209
Energy: 1.0863466354342948
Energy: 1.0142383856852033
Energy: 1.1696241744264146
Energy: 1.0142383856852033
Energy: 1.1720904104281815
Energy: 1.0575052068332613
Energy: 1.104211561399136
Energy: 1.0575052068343471
Energy: 1.151752424261617
Energy: 1.007945416585317
Energy: 1.068096650364121
Energy: 1.007945416585317
Energy: 1.173010341002659
Energy: 1.094224391168987
Energy: 1.1773009241082164
Energy: 1.0942243911700729
Energy: 1.0802238237484696
Energy: 1.0081421103628818
Energy: 1.1107118531482956
Energy: 1.008142110361796
Energy: 1.1745363344991724
Energy: 1.1242787745508178
Energy: 1.1946360640040796
Energy: 1.1242787745258471
Energy: 1.104664147447058
Energy: 1.0078951511770708
Energy: 1.0744684334921535
Energy: 1.0078951511770708
Energy: 1.1380088180558152
Energy: 1.157053198435999
Energy: 1.1035646052512904
Energy: 1.157053198435999
Energy: 1.101052293030139
Energy: 1.0080219597461637
Energy: 1.080087150437503
Energy: 1.008021959745078
Energy: 1.1565547286828741
Energy: 1.0309437937664019
Energy: 1.1749194674729493
Energy: 1.0309437937674877
Energy: 1.0846468538284142
Energy: 1.0078248493460367
Energy: 1.107211741996792
Energy: 1.0078248493460367
Energy: 1.1817519176639228
Energy: 1.0156638799350453
Energy: 1.1490353275075602
Energy: 1.0156638799350453
Energy: 1.1441423325850568
Energy: 1.0078217235242777
Energy: 1.0714564830356694
Energy: 1.0078217235253633
Energy: 1.1682413155954463
Energy: 1.0243266256559778
Energy: 1.1338181056922052
Energy: 1.0243266256559778
Energy: 1.089936586463043
Energy: 1.0141488714751712
Energy: 1.1623968098433195
Energy: 1.0141488714762568
Energy: 1.0804729528391779
Energy: 1.2155678132340573
Energy: 1.1725324306860518
Energy: 1.215567813235143
Energy: 1.201991789482812
Energy: 1.0267971490507055
Energy: 1.0924276548057714
Energy: 1.0267971490496197
Energy: 1.1766313146010354
Energy: 1.056169824562251
Energy: 1.0872993513274178
Energy: 1.0561698245611655
Energy: 1.1308827292121904
Energy: 1.0459347432883708
Energy: 1.2323932906863002
Energy: 1.0459347432883708
Energy: 1.0779300010208406
Energy: 1.0689564997537575
Energy: 1.1951688434075998
Energy: 1.0689564997537575
Energy: 1.2916759027961677
Energy: 1.0576878257573754
Energy: 1.0971552834939624
Energy: 1.0576878257573754
Energy: 1.1070564715889797
Energy: 1.0706383895461353
Energy: 1.087339481459176
Energy: 1.0706383895450495
Energy: 1.137065257343767
Energy: 1.041235055652579
Energy: 1.2323743034119374
Energy: 1.041235055652579
Energy: 1.081610077370861
Energy: 1.0640987911019193
Energy: 1.1950136227964956
Energy: 1.0640987911030046
Energy: 1.2020464034224674
Energy: 1.02693102571938
Energy: 1.0970010172430111
Energy: 1.02693102571938
Energy: 1.1094601187623343
Energy: 1.0572472120412022
Energy: 1.1346461340721692
Energy: 1.0572472120412022
Energy: 1.0881489399626092
Energy: 1.0143483724067706
Energy: 1.1622982736173337
Energy: 1.0143483724067706
Energy: 1.1377393096406727
Energy: 1.0173470390714108
Energy: 1.1727456491194312
Energy: 1.0173470390714108
Energy: 1.1440675336337651
Energy: 1.0077128427555242
Energy: 1.0962808733811136
Energy: 1.0077128427544388
Energy: 1.1931533412175146
Energy: 1.0228386261726972
Energy: 1.1521830925022856
Energy: 1.0228386261716116
Energy: 1.0784713696238388
Energy: 1.0081696982840693
Energy: 1.107323291363347
Energy: 1.008169698285155

minimum gb energy = 1.0077128427544388 eV
minimum distance =  2.25484738004251 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.3261623632323984
Energy: 1.006328895833966
Energy: 1.2698894989316583
Energy: 1.006328895833966
Energy: 1.0086138164370384
Energy: 1.1083085418429952
Energy: 1.034527295311298
Energy: 1.1083085418429952
Energy: 1.0395666811161703
Energy: 0.9990664256628519
Energy: 1.2668501636152698
Energy: 0.9990664256628519
Energy: 1.0098384758458294
Energy: 1.098650822216154
Energy: 1.0333700472204579
Energy: 1.098650822216154
Energy: 1.2088327909681806
Energy: 0.9526773891462909
Energy: 1.0011775656712347
Energy: 0.9526773891462909
Energy: 1.0100897828407442
Energy: 0.9550393346449484
Energy: 1.0608873735572137
Energy: 0.9550393346440067
Energy: 0.9977975674286133
Energy: 0.9521724586174822
Energy: 1.1657333869621738
Energy: 0.9521724586174822
Energy: 1.0509761681623355
Energy: 0.9672285050920404
Energy: 1.0609151192494082
Energy: 0.9672285050920404
Energy: 1.1150831358731235
Energy: 0.9241144994486888
Energy: 1.011512376753076
Energy: 0.9241144994486888
Energy: 1.0500361114073822
Energy: 0.9743881688392689
Energy: 1.0909098078637687
Energy: 0.9743881688392689
Energy: 0.978499728444219
Energy: 0.9241312877428669
Energy: 1.0884011902074788
Energy: 0.9241312877428669
Energy: 1.0964716929693847
Energy: 0.9966437306606791
Energy: 1.0879336674919136
Energy: 0.9966437306606791
Energy: 1.0435177449402928
Energy: 0.9242366698641836
Energy: 1.0078743647268504
Energy: 0.9242366698641836
Energy: 1.1160404797414536
Energy: 1.0648654668774862
Energy: 1.09745055543897
Energy: 1.0648654668774862
Energy: 0.993571848378667
Energy: 0.9241024220395739
Energy: 1.0346144358466314
Energy: 0.9241024220395739
Energy: 1.0584700921384476
Energy: 1.1015352962376648
Energy: 1.0870542931082832
Energy: 1.1015352962376648
Energy: 0.9960397735616836
Energy: 0.9241002090737487
Energy: 1.027382372347945
Energy: 0.9241002090737487
Energy: 1.0951029635543708
Energy: 0.9500869215389046
Energy: 1.088037053222965
Energy: 0.9500869215389046
Energy: 1.0333587951224759
Energy: 0.9243925084372611
Energy: 1.006281822392594
Energy: 0.9243925084372611
Energy: 1.0763856485079148
Energy: 0.9255640425772561
Energy: 1.1000734609248612
Energy: 0.9255640425772561
Energy: 0.9776044972333964
Energy: 0.9235346640959031
Energy: 1.0707284790374736
Energy: 0.9235346640968447
Energy: 1.0504696202050048
Energy: 1.0730913350105453
Energy: 1.0953353027199046
Energy: 1.0730913350105453
Energy: 1.0931957944109723
Energy: 0.9234977185574695
Energy: 1.010594069748232
Energy: 0.9234977185574695
Energy: 1.0998695437377677
Energy: 1.2431115720689925
Energy: 1.0031216635017257
Energy: 1.2431115720699342
Energy: 1.000288523209778
Energy: 0.9509933278816086
Energy: 1.1344653815011634
Energy: 0.9509933278816086
Energy: 1.0094157937207189
Energy: 0.9552047164212795
Energy: 1.0612776329445601
Energy: 0.9552047164212795
Energy: 1.1731897828510331
Energy: 0.9525644569333106
Energy: 1.0005512658989415
Energy: 0.9525644569333106
Energy: 1.0259392888071674
Energy: 0.9738341355991045
Energy: 0.9820742089649446
Energy: 0.9738341355991045
Energy: 1.0376104017095995
Energy: 0.9988156588586292
Energy: 1.220172905067906
Energy: 0.9988156588586292
Energy: 1.0086583310415012
Energy: 0.9637030751892688
Energy: 1.0344417630306235
Energy: 0.9637030751892688
Energy: 1.2763769243004028
Energy: 1.0062955586069033
Energy: 1.0005319966184658
Energy: 1.0062955586069033
Energy: 1.0750731253890042
Energy: 0.9901195210037218
Energy: 0.9820947497465331
Energy: 0.9901195210037218
Energy: 1.0379719187129475
Energy: 0.9988577542394725
Energy: 1.2201269101021703
Energy: 0.9988577542394725
Energy: 1.0099930203386789
Energy: 0.9598387002953185
Energy: 1.0340309656607864
Energy: 0.9598387002953185
Energy: 1.17313522941225
Energy: 0.9524618220399397
Energy: 1.0006448221062632
Energy: 0.9524618220399397
Energy: 1.064993154429853
Energy: 0.9736101366258294
Energy: 1.0038400937955905
Energy: 0.9736101366258294
Energy: 0.9997217674281126
Energy: 0.9508826789403106
Energy: 1.1344683139447689
Energy: 0.9508826789403106
Energy: 1.0505336333861857
Energy: 0.9653365848947472
Energy: 1.0610862993906414
Energy: 0.9653365848947472
Energy: 1.0932230104425087
Energy: 0.9230593769663373
Energy: 1.0106693618629803
Energy: 0.9230593769663373
Energy: 1.0997646969383716
Energy: 0.9158336623127626
Energy: 1.0561974959665699
Energy: 0.9158336623127626
Energy: 0.9778751312902867
Energy: 0.9229276612289518
Energy: 1.0707042786816954
Energy: 0.9229276612289518
Energy: 1.093849097473487
Energy: 0.9249479858613017
Energy: 1.1109210773792766
Energy: 0.9249479858613017
Energy: 1.0333793524322847
Energy: 0.9134461355521963
Energy: 1.0046573850122886
Energy: 0.9134461355521963

minimum gb energy = 0.9134461355521963 eV
minimum distance =  2.26467747807196 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.015621162504431546
Energy: 0.015817815462848626
Energy: 3.730644604121606
Energy: 0.015817815463572485
Energy: 0.01684822704504447
Energy: 0.801058816350724
Energy: 0.01684822704504447
Energy: 0.801058816350724
Energy: 3.730644604052236
Energy: 0.015817815462848626
Energy: 0.015621162504431546
Energy: 0.015817815462848626
Energy: 0.01684822704504447
Energy: 0.801058816350724
Energy: 0.01684822704504447
Energy: 0.801058816350724
Energy: 0.015621162504431546
Energy: 0.015817815463572485
Energy: 3.7306446038676118
Energy: 0.015817815463572485
Energy: 0.01684822704504447
Energy: 0.801058816350724
Energy: 0.01684822704504447
Energy: 0.801058816350724

minimum gb energy = 0.015621162504431546 eV
minimum distance =  2.35831625507013 Angstroms
sigma value = 1