Model name: model_name=Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999995827675
cohesive_energy=4.450349977971171
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018156312726340804
Energy: 0.8509206940968765
Energy: 0.018156312726340804
Energy: 0.8509206940968765
Energy: 0.018156312726340804
Energy: 0.8509206940968765
Energy: 0.8509206940968765
Energy: 0.5934044830692984
Energy: 0.8509206940968765
Energy: 1.9328899283994818
Energy: 0.8509206940968765
Energy: 1.2515658392328683
Energy: 0.018156312726340804
Energy: 0.8509206940965458
Energy: 0.018156312726340804
Energy: 0.8509206940968765
Energy: 0.018156312726340804
Energy: 0.8509206940968765
Energy: 0.8509206940968765
Energy: 1.9328903897225742
Energy: 0.8509206940968765
Energy: 1.838856343342834
Energy: 0.8509206940968765
Energy: 1.2515658384757489
Energy: 0.018156312726340804
Energy: 0.8509206940968765
Energy: 0.018156312726340804
Energy: 0.8509206940968765
Energy: 0.018156312726340804
Energy: 0.8509206940968765
Energy: 0.8509206940965458
Energy: 1.251565840384994
Energy: 0.8509206940968765
Energy: 1.25156584027507
Energy: 0.8509206940968765
Energy: 1.2515658294005674

minimum gb energy = 0.018156312726340804 eV
minimum distance =  2.33280993032696 Angstroms
sigma value = 1


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

Energy: 2.418131687792665
Energy: 1.838825922498779
Energy: 2.418131687788684
Energy: 1.8388259224979828
Energy: 2.41813168778948
Energy: 1.838825922498779
Energy: 2.3020826405262835
Energy: 2.09943143394608
Energy: 2.3020826405270793
Energy: 2.09943143396917
Energy: 2.3020826405262835
Energy: 2.0994314339476725
Energy: 2.2819454739573466
Energy: 1.9676159772718167
Energy: 2.281945473947792
Energy: 1.9676159772718167
Energy: 2.2819454739581424
Energy: 1.9676159772718167
Energy: 2.324119341039942
Energy: 2.159653198975162
Energy: 2.3241193410391463
Energy: 2.159653198974366
Energy: 2.324119341039942
Energy: 2.159653198977551
Energy: 2.191690023660656
Energy: 2.2649359793958515
Energy: 2.19169002365986
Energy: 2.26493597939187
Energy: 2.19169002365986
Energy: 2.2649359793910744
Energy: 2.132215552375464
Energy: 2.1263697827586165
Energy: 2.132215552118367
Energy: 2.1263697827578203
Energy: 2.132215549182524
Energy: 2.1263697827586165
Energy: 2.125132383816748
Energy: 2.1954111664738147
Energy: 2.125132383810379
Energy: 2.1954111664738147
Energy: 2.1251323838175447
Energy: 2.1954111664746114
Energy: 2.118700625070254
Energy: 2.1011859695108153
Energy: 2.1187006250758267
Energy: 2.1011859694574704
Energy: 2.1187006250726417
Energy: 2.101185969471802
Energy: 2.1346937633469505
Energy: 2.2123365517482774
Energy: 2.1346937633469505
Energy: 2.2123365517482774
Energy: 2.1346937633469505
Energy: 2.212336551749073
Energy: 1.9699122304441758
Energy: 2.199331164332913
Energy: 1.9699122304712464
Energy: 2.199331164332913
Energy: 1.9699122304863736
Energy: 2.1993311643337092
Energy: 2.1324805025352718
Energy: 2.1700820679031003
Energy: 2.1324805025360676
Energy: 2.1700820679046924
Energy: 2.1324805025352718
Energy: 2.1700820679046924
Energy: 2.1323096848887064
Energy: 2.08266354666282
Energy: 2.1323096848918914
Energy: 2.08266354666282
Energy: 2.1323096848902985
Energy: 2.08266354666282
Energy: 2.2972768753035324
Energy: 1.9881608362087482
Energy: 2.2972768753035324
Energy: 1.9881608362087482
Energy: 2.297276875304329
Energy: 1.9881608362087482
Energy: 2.3932901469929635
Energy: 1.9932272233229196
Energy: 2.3932901469929635
Energy: 1.993227223323716
Energy: 2.3932901469929635
Energy: 1.9932272233221233
Energy: 2.1529162782184756
Energy: 1.98543152870898
Energy: 2.152916278219272
Energy: 1.98543152870898
Energy: 2.1529162782176794
Energy: 1.98543152870898
Energy: 2.426639976945919
Energy: 1.7739413284032515
Energy: 2.4266399769467153
Energy: 1.7739413284024552
Energy: 2.4266399769467153
Energy: 1.7739413284032515
Energy: 2.0877109642299128
Energy: 2.0519773918314255
Energy: 2.0877109642330978
Energy: 2.051977391830629
Energy: 2.0877109642307086
Energy: 2.0519773918314255
Energy: 2.271325980517833
Energy: 2.3554150672148246
Energy: 2.27132598051863
Energy: 2.3554150672148246
Energy: 2.2713259805194257
Energy: 2.3554150672148246
Energy: 2.1992451576870042
Energy: 2.0886784903610454
Energy: 2.199245157686208
Energy: 2.0886784903610454
Energy: 2.1992451576870042
Energy: 2.0886784903650266
Energy: 2.328413732030551
Energy: 2.034969525355369
Energy: 2.328413732031347
Energy: 2.0349695253537767
Energy: 2.328413732030551
Energy: 2.034969525354573
Energy: 2.1050666698866762
Energy: 2.1632496019579563
Energy: 2.1050666698866762
Energy: 2.1632496019579563
Energy: 2.105066669893842
Energy: 2.1632496019571597
Energy: 1.9954515332024125
Energy: 2.422580731593044
Energy: 1.995451533200024
Energy: 2.4225807315938397
Energy: 1.9954515332024125
Energy: 2.4225807315938397
Energy: 2.112337993033625
Energy: 2.17759809381457
Energy: 2.112337993505548
Energy: 2.17759809381457
Energy: 2.1123379933766375
Energy: 2.177598093816163

minimum gb energy = 1.7739413284024552 eV
minimum distance =  2.30819665323659 Angstroms
sigma value = 33


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

Energy: 2.578866454639966
Energy: 2.046131244691059
Energy: 2.5370045678900053
Energy: 2.046131244691059
Energy: 2.578866454639966
Energy: 2.046131244691965
Energy: 2.1828977046668285
Energy: 1.9572170755275904
Energy: 2.1828977046668285
Energy: 1.9572170755280434
Energy: 2.1828977046668285
Energy: 1.9572170755280434
Energy: 2.4956806006636016
Energy: 1.8216398094979704
Energy: 2.4956806006667716
Energy: 1.8216398094970647
Energy: 2.4956806006636016
Energy: 1.8216398094970647
Energy: 2.2772991905108526
Energy: 2.2268490001628125
Energy: 2.2772991905248916
Energy: 2.2268489999726895
Energy: 2.277299190517646
Energy: 2.2268490001107324
Energy: 2.522497734370054
Energy: 2.596397529132843
Energy: 2.522497734368695
Energy: 2.596397529133296
Energy: 2.522497734369601
Energy: 2.59639752913239
Energy: 2.417784256197897
Energy: 2.3379502288659224
Energy: 2.4177842561974443
Energy: 2.337950228865017
Energy: 2.4177842561974443
Energy: 2.3379502288654694
Energy: 2.0889507908693123
Energy: 2.2256618846165983
Energy: 2.088950790877464
Energy: 2.2256618846170513
Energy: 2.0889507908693123
Energy: 2.2256618846161453
Energy: 2.065836861072829
Energy: 2.258083929185368
Energy: 2.065836861071923
Energy: 2.2580839291831034
Energy: 2.065836861071923
Energy: 2.258083929184462
Energy: 1.8912343858014595
Energy: 2.183369894611867
Energy: 1.8912343857910434
Energy: 2.183369894611867
Energy: 1.8912343858123288
Energy: 2.183369894611867
Energy: 2.1031626679009374
Energy: 2.372781228956266
Energy: 2.0748275852106404
Energy: 2.372781228956266
Energy: 2.103162667900032
Energy: 2.372781228956266
Energy: 2.1668506911261303
Energy: 2.1789507725576684
Energy: 2.166850691127036
Energy: 2.1789507725576684
Energy: 2.1668506911261303
Energy: 2.1789507725581214
Energy: 2.24617859161975
Energy: 2.299392269193615
Energy: 2.246179652649092
Energy: 2.2993922691940676
Energy: 2.24617859161975
Energy: 2.2993922691940676
Energy: 2.4295782506322627
Energy: 2.1910907220550713
Energy: 2.429690121279628
Energy: 2.1910907220509954
Energy: 2.4295782506322627
Energy: 2.1910907220473725
Energy: 2.2100982825267272
Energy: 2.152555566124118
Energy: 2.2102221202793944
Energy: 2.152555566124118
Energy: 2.2100982825267272
Energy: 2.152555566124118
Energy: 2.2395420508432617
Energy: 2.1172908791399547
Energy: 2.239542050839639
Energy: 2.1172908791399547
Energy: 2.239542050848696
Energy: 2.1172908791399547
Energy: 1.8941465503147565
Energy: 2.2609602916224345
Energy: 1.8941465503120394
Energy: 2.2609602916224345
Energy: 1.8941465503066048
Energy: 2.2609602916224345
Energy: 2.309775874078944
Energy: 2.0678074146059755
Energy: 2.309775874078944
Energy: 2.0678074146050696
Energy: 2.309775874078944
Energy: 2.067807414605522
Energy: 2.5106763027094505
Energy: 2.391390178418367
Energy: 2.510676302701752
Energy: 2.3913901784179146
Energy: 2.510676302700393
Energy: 2.3913901784161027
Energy: 2.2001466233903257
Energy: 2.3214822826418984
Energy: 2.2001466233903257
Energy: 2.3214822826418984
Energy: 2.200146623389873
Energy: 2.3214822826414454
Energy: 2.064910289239427
Energy: 2.579663800205282
Energy: 2.0630323371203994
Energy: 2.579663800205282
Energy: 2.064910289239427
Energy: 2.579663800205282
Energy: 2.166805659176172
Energy: 2.1691925182562186
Energy: 2.186657149932263
Energy: 2.1691925182562186
Energy: 2.1668056591924754
Energy: 2.1691925182562186
Energy: 1.8736108614152873
Energy: 2.13201281969203
Energy: 1.8736108614148346
Energy: 2.1320128196961057
Energy: 1.8736108614143816
Energy: 2.1320128196988226
Energy: 2.1245952169632893
Energy: 2.2756630641601436
Energy: 2.1643852334986065
Energy: 2.2756630641601436
Energy: 2.124595216956496
Energy: 2.2756630641592377
Energy: 2.3273676336375653
Energy: 2.091211916521408
Energy: 2.3273676336375653
Energy: 2.0912119165209555
Energy: 2.3273676336371123
Energy: 2.091211916521408
Energy: 2.368810826374576
Energy: 2.2182321719325517
Energy: 2.356291039228934
Energy: 2.2182321719325517
Energy: 2.368810826374576
Energy: 2.218232171932099
Energy: 2.4673097897467446
Energy: 2.6883657845630657
Energy: 2.432235669213445
Energy: 2.688365784562613
Energy: 2.467309789747197
Energy: 2.688365784563519
Energy: 2.283955557756516
Energy: 2.485965923946295
Energy: 2.2702362948349935
Energy: 2.485965923945842
Energy: 2.2839555577578747
Energy: 2.485965923946295
Energy: 2.5981705891962865
Energy: 1.819086818752981
Energy: 2.598170589201268
Energy: 1.8190868187511693
Energy: 2.5981705891962865
Energy: 1.8190868187534337
Energy: 2.3497372989206116
Energy: 1.9828864673192548
Energy: 2.3497372989160827
Energy: 1.9828864673192548
Energy: 2.3497372989414025
Energy: 1.9828864673188016
Energy: 2.177231757336345
Energy: 2.0926531910910118
Energy: 2.1772317573358926
Energy: 2.0926531910910118
Energy: 2.1772317573349866
Energy: 2.092653191090559
Energy: 2.230635120409439
Energy: 2.1352203167823585
Energy: 2.2306351204098913
Energy: 2.1352203167828114
Energy: 2.230635120409439
Energy: 2.1352203167814525
Energy: 2.2957691181786184
Energy: 2.1609882485073983
Energy: 2.2957691181795243
Energy: 2.160988248507851
Energy: 2.295769118178166
Energy: 2.1609882485055865
Energy: 2.15881255881886
Energy: 2.568968723994681
Energy: 2.15881255881886
Energy: 2.568968723994228
Energy: 2.15881255881886
Energy: 2.568968723994228
Energy: 2.1269801131256356
Energy: 2.216393607783974
Energy: 2.1269801131256356
Energy: 2.216393607783974
Energy: 2.1269801131260886
Energy: 2.216393607783974
Energy: 2.2545356879310634
Energy: 2.248051639400781
Energy: 2.254535687928799
Energy: 2.248051639400781
Energy: 2.254535687930611
Energy: 2.248051639398064
Energy: 2.0449004921354015
Energy: 2.243469291938087
Energy: 2.044900492136307
Energy: 2.2434692919385397
Energy: 2.0449004921354015
Energy: 2.2434692919389927
Energy: 2.1457655704569416
Energy: 2.5050810309298597
Energy: 2.123492310897216
Energy: 2.5050810309271427
Energy: 2.145765570457395
Energy: 2.5050810309275957
Energy: 2.253040029895887
Energy: 2.1833906956645404
Energy: 2.2420320133087293
Energy: 2.1833906956645404
Energy: 2.2530400298949815
Energy: 2.1833906956649933
Energy: 2.341792545941651
Energy: 2.121536556045338
Energy: 2.3423694562645263
Energy: 2.121536556045338
Energy: 2.341792545942556
Energy: 2.121536556045791
Energy: 2.410094983491839
Energy: 2.0797689998969253
Energy: 2.4100949834900276
Energy: 2.0797689998969253
Energy: 2.410094983491386
Energy: 2.0797689998969253
Energy: 2.1632446063318125
Energy: 1.9245955069860545
Energy: 2.16324460633136
Energy: 1.9245955069860545
Energy: 2.163244606330454
Energy: 1.9245955069865077

minimum gb energy = 1.8190868187511693 eV
minimum distance =  2.28728408651314 Angstroms
sigma value = 51


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

Energy: 2.6183487435331787
Energy: 2.0135866674167184
Energy: 2.6183487435331787
Energy: 2.013586667415669
Energy: 2.6183487435331787
Energy: 2.013586667417768
Energy: 2.416204455726629
Energy: 2.1375535479696506
Energy: 2.416204455726629
Energy: 2.1375535479738477
Energy: 2.4162044557276783
Energy: 2.137553547976995
Energy: 2.09763624333068
Energy: 2.419484343044773
Energy: 2.09763624333068
Energy: 2.419484343044773
Energy: 2.09763624333068
Energy: 2.419484343044773
Energy: 2.1550260934737224
Energy: 2.095885166608398
Energy: 2.1550260934684764
Energy: 2.095885166607349
Energy: 2.155026093471624
Energy: 2.095885166602103
Energy: 2.518221489920751
Energy: 2.2267235944483024
Energy: 2.518221489919702
Energy: 2.226723594447253
Energy: 2.518221489920751
Energy: 2.2267235944483024
Energy: 2.251245089565128
Energy: 2.447607633387528
Energy: 2.251245089565128
Energy: 2.447607633387528
Energy: 2.251245089565128
Energy: 2.4476076333885772
Energy: 1.9176388733504564
Energy: 2.3705823138461226
Energy: 1.9176388733504564
Energy: 2.3705823138450732
Energy: 1.9176388733504564
Energy: 2.3705823138450732
Energy: 2.0771570626762608
Energy: 2.54661327866022
Energy: 2.0771570626762608
Energy: 2.5466132786591706
Energy: 2.0771570626762608
Energy: 2.54661327866022
Energy: 2.1485837841294613
Energy: 2.2353418090423762
Energy: 2.1485837841305107
Energy: 2.235341809041327
Energy: 2.1485837841294613
Energy: 2.235341809041327
Energy: 2.423008727492538
Energy: 2.307006579072738
Energy: 2.423008727492538
Energy: 2.307006579072738
Energy: 2.4230087274935874
Energy: 2.307006579072738
Energy: 2.241627847658623
Energy: 2.232636585578019
Energy: 2.241627847658623
Energy: 2.232636585579068
Energy: 2.241627847658623
Energy: 2.232636585579068
Energy: 2.532960705234527
Energy: 2.1388073631835662
Energy: 2.532960705234527
Energy: 2.1388073631835662
Energy: 2.532960705234527
Energy: 2.1388073631835662
Energy: 2.2398620395912383
Energy: 2.244109671503152
Energy: 2.2398620395922872
Energy: 2.244109671503152
Energy: 2.2398620395922872
Energy: 2.2441096715021027
Energy: 2.307743711420761
Energy: 2.5944890408712062
Energy: 2.307743711419712
Energy: 2.5944890408701573
Energy: 2.307743711420761
Energy: 2.5944890408712062
Energy: 2.0396260563428936
Energy: 2.286630195088534
Energy: 2.039626056341844
Energy: 2.286630195086435
Energy: 2.0396260563428936
Energy: 2.2866301950874846
Energy: 2.3133735997572145
Energy: 2.3016833802448518
Energy: 2.313373599766658
Energy: 2.301683380245901
Energy: 2.313373599724686
Energy: 2.301683380245901
Energy: 2.331797950848988
Energy: 2.15416843568426
Energy: 2.331797950850037
Energy: 2.15416843568426
Energy: 2.331797950850037
Energy: 2.15416843568426
Energy: 2.022857456745635
Energy: 2.3034050325062716
Energy: 2.022857456744586
Energy: 2.3034050325062716
Energy: 2.022857456745635
Energy: 2.3034050325062716

minimum gb energy = 1.9176388733504564 eV
minimum distance =  2.32986462861247 Angstroms
sigma value = 19


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

Energy: 2.2256864911692804
Energy: 1.809566671416096
Energy: 2.2256864911692804
Energy: 1.8095666633837177
Energy: 2.2256864911692804
Energy: 1.8095666654380125
Energy: 2.0662813396484307
Energy: 1.974894582440977
Energy: 2.066281339654655
Energy: 1.9748945824415993
Energy: 2.06628133965341
Energy: 1.974894582440977
Energy: 1.8155891454694073
Energy: 2.4312630803511173
Energy: 1.815589145468785
Energy: 2.4312630803654325
Energy: 1.815589145468785
Energy: 2.431263080328116
Energy: 2.321628484211765
Energy: 1.6005053535862042
Energy: 2.3216284842111423
Energy: 1.6005053535855815
Energy: 2.3216284842105197
Energy: 1.6005053535868263
Energy: 2.29911599709213
Energy: 2.6597976107332295
Energy: 2.2991159970964867
Energy: 2.6597976107344743
Energy: 2.2991159970977315
Energy: 2.659797610735097
Energy: 2.642948580630539
Energy: 2.7189569660620285
Energy: 2.642948580628672
Energy: 2.7189569660452237
Energy: 2.6429485806299162
Energy: 2.7189569660570494
Energy: 2.30227653377802
Energy: 1.603127340051766
Energy: 2.3022765337407036
Energy: 1.6031273400598571
Energy: 2.302276533778642
Energy: 1.6031273400561228
Energy: 1.8144746021312752
Energy: 2.4401266862458635
Energy: 1.81447460213252
Energy: 2.440126686247731
Energy: 1.81447460213252
Energy: 2.44012668625022
Energy: 2.0786405063105122
Energy: 1.9681859883483483
Energy: 2.0786405063105122
Energy: 1.9681859883477262
Energy: 2.07864050630989
Energy: 1.9681859883471038
Energy: 2.2256864911692804
Energy: 1.809566682079489
Energy: 2.2256864911692804
Energy: 1.8095666794185987
Energy: 2.2256864911692804
Energy: 1.809566684316659
Energy: 2.066281339660879
Energy: 1.9748945824422217
Energy: 2.066281339654655
Energy: 1.9748945824415993
Energy: 2.066281339661501
Energy: 1.9748945824415993
Energy: 1.8155891454706519
Energy: 2.4312630805128874
Energy: 1.8155891454706519
Energy: 2.4312630804948374
Energy: 1.8155891454712743
Energy: 2.431263080514132
Energy: 2.321628484305098
Energy: 1.6005053535992464
Energy: 2.3216284843044757
Energy: 1.6005053535992464
Energy: 2.321628484303853
Energy: 1.600505353598624
Energy: 2.299115997141272
Energy: 2.659797610759993
Energy: 2.2991159971157535
Energy: 2.659797610751902
Energy: 2.2991159971817003
Energy: 2.659797610753769
Energy: 2.642948580628672
Energy: 2.718956966284738
Energy: 2.642948580628672
Energy: 2.7189569662928297
Energy: 2.642948580627427
Energy: 2.718956966298431
Energy: 2.302276535597779
Energy: 1.6031273401108668
Energy: 2.302276535611472
Energy: 1.6031273401102442
Energy: 2.302276535585953
Energy: 1.6031273401083772
Energy: 1.8144746021231835
Energy: 2.440126686236527
Energy: 1.8144746021262959
Energy: 2.440126686236527
Energy: 1.8144746021262959
Energy: 2.44012668623466
Energy: 2.0786405063105122
Energy: 1.9681859883502157
Energy: 2.0786405063105122
Energy: 1.9681859883483483
Energy: 2.0786405063105122
Energy: 1.9681859883464812
Energy: 2.2256864911692804
Energy: 1.8095667026074103
Energy: 2.2256864911692804
Energy: 1.8095667022982138
Energy: 2.2256864911692804
Energy: 1.809566707701445
Energy: 2.066281339654655
Energy: 1.974894582440977
Energy: 2.066281339646564
Energy: 1.9748945824403545
Energy: 2.066281339654655
Energy: 1.974894582440977
Energy: 1.8155891454606934
Energy: 2.4312630805757225
Energy: 1.8155891454606934
Energy: 2.431263080561407
Energy: 1.8155891454613156
Energy: 2.4312630805925273
Energy: 2.3216284841993162
Energy: 1.6005053535868263
Energy: 2.32162848420803
Energy: 1.6005053535843365
Energy: 2.321628484209275
Energy: 1.6005053535874487
Energy: 2.2991159971157535
Energy: 2.659797610727034
Energy: 2.2991159971518536
Energy: 2.659797610728901
Energy: 2.2991159971362927
Energy: 2.6597976107319843
Energy: 2.642948580624937
Energy: 2.718956966716521
Energy: 2.6429485806236923
Energy: 2.7189569667532156
Energy: 2.6429485806236923
Energy: 2.7189569667208784
Energy: 2.3022765332093917
Energy: 1.603127340171835
Energy: 2.3022765332069017
Energy: 1.6031273401575477
Energy: 2.302276533195104
Energy: 1.6031273401687225
Energy: 1.8144746021306528
Energy: 2.4401266862557938
Energy: 1.8144746021256735
Energy: 2.4401266862576607
Energy: 1.8144746021312752
Energy: 2.44012668625022
Energy: 2.078640506311135
Energy: 1.9681859883514607
Energy: 2.078640506311135
Energy: 1.9681859883489707
Energy: 2.078640506311135
Energy: 1.9681859883427468
Energy: 2.2256864911692804
Energy: 1.8095667120570174
Energy: 2.2256864911692804
Energy: 1.8095667131880504
Energy: 2.2256864911692804
Energy: 1.8095667055127942
Energy: 2.066281339654655
Energy: 1.9748945824415993
Energy: 2.066281339656522
Energy: 1.9748945824403545
Energy: 2.066281339649676
Energy: 1.974894582440977
Energy: 1.8155891454613156
Energy: 2.431263080794698
Energy: 1.815589145460071
Energy: 2.43126308081337
Energy: 1.8155891454606934
Energy: 2.431263080770452

minimum gb energy = 1.6005053535843365 eV
minimum distance =  2.35505258716977 Angstroms
sigma value = 27


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

Energy: 2.26611950416648
Energy: 2.134173805972044
Energy: 2.26611950416648
Energy: 2.1341738059705198
Energy: 2.266119504168004
Energy: 2.134173805972044
Energy: 2.4457755750977497
Energy: 1.8847098739888608
Energy: 2.4457755750977497
Energy: 1.8847098739888608
Energy: 2.4457755750977497
Energy: 1.8847098739873358
Energy: 1.735702774588812
Energy: 2.4049412829496957
Energy: 1.7357027746055824
Energy: 2.4049412830061057
Energy: 1.7357027745994837
Energy: 2.404941283016743
Energy: 2.1266914776093153
Energy: 1.8969726847844222
Energy: 2.1266914776108403
Energy: 1.8969726847844222
Energy: 2.1266914776108403
Energy: 1.8969726847828974
Energy: 2.5030921673073245
Energy: 2.420453319241914
Energy: 2.5030921673012263
Energy: 2.420453319244929
Energy: 2.5030921673058
Energy: 2.4204533192434043
Energy: 2.6242248377362274
Energy: 3.1999437270441526
Energy: 2.6242248377362274
Energy: 3.199943727130985
Energy: 2.6242248377362274
Energy: 3.199943727062413
Energy: 1.9708926711803283
Energy: 1.5468782284824176
Energy: 1.9708926711833428
Energy: 1.5468782284824176
Energy: 1.9708926711803283
Energy: 1.5468782284824176
Energy: 2.1982375821950364
Energy: 1.8512154520512756
Energy: 2.1982375821950364
Energy: 1.8512154520512756
Energy: 2.1982375821950364
Energy: 1.8512154520512756
Energy: 2.675923935480605
Energy: 1.8858923742821125
Energy: 2.67592393548213
Energy: 1.8858923743140943
Energy: 2.675923935480605
Energy: 1.8858923742988833
Energy: 2.2763687116490687
Energy: 2.1695905168503153
Energy: 2.2763687116505933
Energy: 2.169590516847266
Energy: 2.276368711644495
Energy: 2.1695905168503153
Energy: 1.8300177890030005
Energy: 1.3413784350703666
Energy: 1.8300177890030005
Energy: 1.3413784350703666
Energy: 2.099106773258242
Energy: 1.3413784350703666
Energy: 2.5056564857896486
Energy: 2.461810428383752
Energy: 2.5056564857896486
Energy: 2.461810428383752
Energy: 2.505656485788124
Energy: 2.461810428383752

minimum gb energy = 1.3413784350703666 eV
minimum distance =  2.33091475938187 Angstroms
sigma value = 9


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

Energy: 1.2550561018945428
Energy: 1.8714680062457543
Energy: 1.255056101896256
Energy: 1.8714680062487532
Energy: 1.2550561018958277
Energy: 1.871468006241899
Energy: 2.5273605407660122
Energy: 2.1416289800325137
Energy: 2.527360540765584
Energy: 2.0403018183678503
Energy: 2.5273605407660122
Energy: 1.7485153940433953
Energy: 1.9790178820393016
Energy: 2.7938684214255027
Energy: 1.9790178818021005
Energy: 2.793868421425931
Energy: 1.97901788179953
Energy: 2.7938684214255027
Energy: 1.7506203223424557
Energy: 1.811343019709654
Energy: 1.750620322341599
Energy: 1.8113430197100826
Energy: 1.7506203223428842
Energy: 1.8113430197092257
Energy: 1.6184240039462092
Energy: 2.0912445778854076
Energy: 1.6184240039457811
Energy: 2.091244577887549
Energy: 1.6184240039457811
Energy: 2.091244577886693
Energy: 2.960746004634751
Energy: 2.334738054161932
Energy: 2.9607460046356073
Energy: 2.4339450193313605
Energy: 2.9607460046351797
Energy: 2.5310935816893383
Energy: 2.4002741361834095
Energy: 2.114162072571707
Energy: 2.400274136183838
Energy: 2.114162072571279
Energy: 2.400274136182981
Energy: 2.114162072571707
Energy: 1.3970231423177288
Energy: 1.8623287888979947
Energy: 1.3970231423168722
Energy: 1.8623287889009932
Energy: 1.3970231423164439
Energy: 1.8623287889009932
Energy: 2.6283453576652462
Energy: 2.269412942620676
Energy: 2.6283453576652462
Energy: 2.269412942625388
Energy: 2.6283453576648177
Energy: 2.2694129426232466
Energy: 2.143499761045096
Energy: 2.6590370092661937
Energy: 2.1434997611076385
Energy: 2.6590370092636233
Energy: 2.143499761067371
Energy: 2.6590370092661937
Energy: 2.0001814541620906
Energy: 1.0806041173215137
Energy: 2.0001814541620906
Energy: 1.080604117007634
Energy: 2.0001814541620906
Energy: 1.0806041170102039
Energy: 1.5712582415448573
Energy: 1.7999303171727419
Energy: 1.5712582414365182
Energy: 1.7999303171727419
Energy: 1.5712582414716447
Energy: 1.7999303171731704
Energy: 2.663302570915984
Energy: 2.302903582560121
Energy: 2.6633025709164126
Energy: 2.302903582543843
Energy: 2.663302570915984
Energy: 2.302903582530135
Energy: 2.2130916467525377
Energy: 2.1619058582349235
Energy: 2.2130916467525377
Energy: 2.1619058582340664
Energy: 2.213091646752966
Energy: 2.1619058582340664
Energy: 1.7339589029408813
Energy: 1.817690396376633
Energy: 1.7339589029387394
Energy: 1.817690396376633
Energy: 1.7339589029404527
Energy: 1.8176903963762048
Energy: 2.380824759412357
Energy: 2.267022208045767
Energy: 2.3808247594119285
Energy: 2.267022208045767
Energy: 2.3808247594102148
Energy: 2.267022208045767
Energy: 2.2696703815548576
Energy: 2.6502130717290844
Energy: 2.269670381528727
Energy: 2.6502130716871037
Energy: 2.269670381548004
Energy: 2.650213071695671
Energy: 1.9631171362328987
Energy: 1.4402261592098198
Energy: 1.9631171362320419
Energy: 1.440226159217102
Energy: 1.9631171362328987
Energy: 1.4402261592128183
Energy: 1.713828599577683
Energy: 2.211938908453169
Energy: 1.7138285995738274
Energy: 2.2119389084540253
Energy: 1.7138285995811098
Energy: 2.211938908453597
Energy: 2.623040269554456
Energy: 1.927670322778262
Energy: 2.623040269555313
Energy: 1.9414366955828313
Energy: 2.623040269554456
Energy: 1.9725216419373792
Energy: 1.7134750701395387
Energy: 2.2137145351702747
Energy: 1.713475070128829
Energy: 2.2137145351702747
Energy: 1.7134750701313994
Energy: 2.2137145351707033
Energy: 1.953520425400053
Energy: 1.6628148348091298
Energy: 1.9535204253961977
Energy: 1.6628148348087017
Energy: 1.9535204253846319
Energy: 1.6628148348082732
Energy: 2.2585041047175274
Energy: 2.6645263400672436
Energy: 2.2585041047166707
Energy: 2.6645263400672436
Energy: 2.258504104718812
Energy: 2.6645263400676718
Energy: 2.4192345814883467
Energy: 2.4113270348265425
Energy: 2.419234581486633
Energy: 2.4113270348286844
Energy: 2.4192345814874896
Energy: 2.4113270348265425
Energy: 1.7541446620963217
Energy: 1.8217002749723512
Energy: 1.7541446620967496
Energy: 1.8217002749723512
Energy: 1.7541446620967496
Energy: 1.8217002749719227
Energy: 2.2000986896540735
Energy: 2.0509991109837173
Energy: 2.200098689643364
Energy: 2.0509991109837173
Energy: 2.2000986896540735
Energy: 2.0509991109824317
Energy: 2.653830167981276
Energy: 2.290101553974249
Energy: 2.6538301679679974
Energy: 2.2901015539716787
Energy: 2.653830167987702
Energy: 2.290101553974249
Energy: 1.5678518214498955
Energy: 1.8913481794249043
Energy: 1.5678518215423851
Energy: 1.8913481794257612
Energy: 1.5678518215128272
Energy: 1.8913481794249043
Energy: 1.8224000916335323
Energy: 1.3499756254356265
Energy: 1.8224000916335323
Energy: 1.3499756254343416
Energy: 1.822400091690934
Energy: 1.3499756254651845
Energy: 2.0398068840180015
Energy: 2.6731012109312373
Energy: 2.039806891825048
Energy: 2.6731012109308088
Energy: 2.0398068942335907
Energy: 2.6731012109312373
Energy: 2.609214135346843
Energy: 2.263345736546737
Energy: 2.609214135348128
Energy: 2.263345736540312
Energy: 2.609214135345986
Energy: 2.2633457365471656
Energy: 1.3890631728669138
Energy: 1.8729289981741715
Energy: 1.3890631728677707
Energy: 1.8729289981741715
Energy: 1.3890631728673422
Energy: 1.872928998173743
Energy: 2.3671423458643672
Energy: 2.104546439129535
Energy: 2.3671423458639387
Energy: 2.104546439126536
Energy: 2.3671423458630816
Energy: 2.1045464391261075
Energy: 2.956603611066941
Energy: 2.7587445726074358
Energy: 2.9566036110656557
Energy: 2.7587445726065796
Energy: 2.956603611066941
Energy: 2.7587445726074358
Energy: 1.6024663886880808
Energy: 2.080968102626627
Energy: 1.6024663886889376
Energy: 2.0809681026270557
Energy: 1.6024663886889376
Energy: 2.0809681026291975
Energy: 1.7302156253876595
Energy: 1.6437891327507432
Energy: 1.7302156253722378
Energy: 1.6470281610808255
Energy: 1.7302156253611005
Energy: 1.6427308008384598
Energy: 1.9680543533224328
Energy: 2.80921217944789
Energy: 1.9680543549190936
Energy: 2.8092121794474614
Energy: 1.9680543540862987
Energy: 2.80921217944789
Energy: 2.514917800936711
Energy: 1.9935775541774807
Energy: 2.5149178009341404
Energy: 1.9935780214051382
Energy: 2.5149178009362823
Energy: 1.9935773039144162
Energy: 1.2550561018932576
Energy: 1.8714680062586055
Energy: 1.255056101894971
Energy: 1.8714680062290865
Energy: 1.2550561018936859
Energy: 1.8714680062607474
Energy: 2.5273605407677264
Energy: 2.1416289836468083
Energy: 2.5273605407677264
Energy: 2.141628983675081
Energy: 2.5273605407677264
Energy: 2.141628983665657
Energy: 1.9790178824328202
Energy: 2.7938684214353553
Energy: 1.9790178825758185
Energy: 2.7938684214353553
Energy: 1.9790178824006923
Energy: 2.793868421434927
Energy: 1.750620322345883
Energy: 1.8113430197147946
Energy: 1.7506203223463113
Energy: 1.8113430197147946
Energy: 1.7506203223463113
Energy: 1.8113430197156515
Energy: 1.6184240039457811
Energy: 2.091244577885836
Energy: 1.6184240039457811
Energy: 2.091244577886693
Energy: 1.6184240039453528
Energy: 2.0912445778854076

minimum gb energy = 1.080604117007634 eV
minimum distance =  2.32266027940705 Angstroms
sigma value = 57


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

Energy: 0.9010629874825407
Energy: 1.5169646267876153
Energy: 0.42344513589151517
Energy: 1.5169646267885906
Energy: 0.9010629874815654
Energy: 1.5169646267885906
Energy: 1.9625798083347576
Energy: 2.8546853818144564
Energy: 1.9625798083347576
Energy: 2.88027016828633
Energy: 1.9625798083357329
Energy: 2.8546853818144564
Energy: 2.3967724679529208
Energy: 2.5073608789365336
Energy: 2.396772467937318
Energy: 2.3966947515115296
Energy: 2.396772467942194
Energy: 2.507360877650913
Energy: 1.2531103133960304
Energy: 1.0068805606646436
Energy: 1.2531103133970056
Energy: 0.9718000810421977
Energy: 1.2531103133960304
Energy: 1.0068805606656188
Energy: 1.7987506522164678
Energy: 1.186656165247651
Energy: 1.7987507025157106
Energy: 1.186656165246676
Energy: 1.798750861228574
Energy: 1.186656165247651
Energy: 1.9048143598620226
Energy: 2.3608911966619073
Energy: 1.4346855482239969
Energy: 2.3608911966619073
Energy: 1.9048143598620226
Energy: 2.3608911966619073
Energy: 1.421868108381309
Energy: 1.7940361130331377
Energy: 0.4241857849475984
Energy: 1.7940361130331377
Energy: 1.421868108381309
Energy: 1.7940361130341127
Energy: 2.0224970148976444
Energy: 0.8522334659395626
Energy: 2.0224970148830175
Energy: 0.8522334694630617
Energy: 2.0224970148810675
Energy: 0.852233465466802
Energy: 1.1755138451626765
Energy: 0.7163438983134112
Energy: 1.1755138451626765
Energy: 0.7171435283419118
Energy: 1.1755138451636518
Energy: 0.716343898312436
Energy: 1.8192209709229807
Energy: 2.637080957418097
Energy: 1.819220970802109
Energy: 2.637080957419072
Energy: 1.8192209710126483
Energy: 2.637080957418097
Energy: 1.6011447354026398
Energy: 2.918530081166208
Energy: 1.6011447353207733
Energy: 2.918530081165233
Energy: 1.601144735396789
Energy: 2.918530081166208
Energy: 0.9010629874815654
Energy: 1.5169646267885906
Energy: 0.42344513589151517
Energy: 1.5169646267885906
Energy: 0.9010629874815654
Energy: 1.5169646267885906
Energy: 1.9625798083347576
Energy: 2.854685381817382
Energy: 1.9625798083347576
Energy: 2.88027016828633
Energy: 1.9625798083357329
Energy: 2.854685381816407
Energy: 2.396772467942194
Energy: 2.507360881368375
Energy: 2.3967724678895372
Energy: 2.3966947524501365
Energy: 2.396772467915866
Energy: 2.507360880253314
Energy: 1.2531103133960304
Energy: 1.0068805606646436
Energy: 1.2531103133960304
Energy: 0.9718000810421977
Energy: 1.2531103133960304
Energy: 1.0068805606646436
Energy: 1.7987507792048514
Energy: 1.186656165247651
Energy: 1.7987508103347676
Energy: 1.186656165247651
Energy: 1.7987509632023475
Energy: 1.186656165247651
Energy: 1.9048143598620226
Energy: 2.3608911966619073
Energy: 1.4346855482239969
Energy: 2.3608911966609325
Energy: 1.9048143598610476
Energy: 2.3608911966619073
Energy: 1.421868108382284
Energy: 1.794036113035088
Energy: 0.4241857836288238
Energy: 1.794036113035088
Energy: 1.421868108382284
Energy: 1.794036113035088
Energy: 2.0224970148947192
Energy: 0.8522335189299426
Energy: 2.0224970148830175
Energy: 0.8522335236406182
Energy: 2.0224970148800923
Energy: 0.8522335174250066

minimum gb energy = 0.42344513589151517 eV
minimum distance =  2.35381389943446 Angstroms
sigma value = 11


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

Energy: 1.1624517875025664
Energy: 1.9997456209752693
Energy: 1.1624517875032807
Energy: 1.9997456209709836
Energy: 1.1624517875025664
Energy: 1.9997456209731266
Energy: 2.3630718224349057
Energy: 1.6540227925546191
Energy: 2.3630718224349057
Energy: 1.6540227925531905
Energy: 2.3630718224349057
Energy: 1.6540227925553335
Energy: 1.7520264903258416
Energy: 2.8371988906438386
Energy: 1.9045758613112425
Energy: 2.8371988906438386
Energy: 1.9398400107394398
Energy: 2.8371988906438386
Energy: 2.2018737197038076
Energy: 2.0836413306577652
Energy: 2.2018737197038076
Energy: 2.0836413306577652
Energy: 2.2018737197038076
Energy: 2.083641330659908
Energy: 1.3052930002707146
Energy: 1.7381367564560808
Energy: 1.3052930002700003
Energy: 1.7381367564532237
Energy: 1.305293000271429
Energy: 1.7381367564525094
Energy: 2.600171554146298
Energy: 1.8922418397841063
Energy: 2.600171554146298
Energy: 1.8922418397833922
Energy: 2.600171554146298
Energy: 1.892241839785535
Energy: 2.2363128671163452
Energy: 2.588178662024585
Energy: 2.2363128671163452
Energy: 2.588178662025299
Energy: 2.2363128671170602
Energy: 2.588178662025299
Energy: 1.660271202576205
Energy: 1.931515622253901
Energy: 1.6602712025919197
Energy: 1.931515622253901
Energy: 1.660271202597634
Energy: 1.9315156222531864
Energy: 1.665854062292379
Energy: 1.5131737499103473
Energy: 1.6658540622902362
Energy: 1.5131737499103473
Energy: 1.6658540623088076
Energy: 1.5131737499110616
Energy: 2.4156028230365414
Energy: 2.5309806200615523
Energy: 2.4156028230358264
Energy: 2.530980620062267
Energy: 2.4156028230365414
Energy: 2.5309806200615523
Energy: 2.508561655829196
Energy: 2.1678526838889742
Energy: 2.508561655669322
Energy: 2.1678526838889742
Energy: 2.5085616558491965
Energy: 2.1678526838882597
Energy: 1.2628378034184378
Energy: 1.7659722769853974
Energy: 1.2628378034184378
Energy: 1.765972276986112
Energy: 1.2628378034184378
Energy: 1.7659722769853974
Energy: 2.0689775508056636
Energy: 1.6694403123748214
Energy: 2.0689775508263786
Energy: 1.6694403124391086
Energy: 2.0689775508049495
Energy: 1.6694403124669663
Energy: 1.926339353135176
Energy: 2.917641286296039
Energy: 1.9263393533443367
Energy: 2.9176412862946104
Energy: 1.9263393533629085
Energy: 2.917641286298182
Energy: 2.3457327182643817
Energy: 2.1344325755230367
Energy: 2.345732718277953
Energy: 2.134432575522322
Energy: 2.345732718272953
Energy: 2.1344325755230367
Energy: 1.1438933498083756
Energy: 1.9889797541026462
Energy: 1.143893349804804
Energy: 1.9889797541033607
Energy: 1.1438933497962323
Energy: 1.9889797541026462
Energy: 2.103869391012997
Energy: 1.4935695501187802
Energy: 2.103869391012997
Energy: 1.4935695501166373
Energy: 2.1038693910144253
Energy: 1.493569550118066
Energy: 2.024892237740099
Energy: 2.906732955071355
Energy: 2.0248922377408136
Energy: 2.906732955071355
Energy: 2.0248922377636718
Energy: 2.9067329550720693
Energy: 2.2068571774116927
Energy: 2.330315040910699
Energy: 2.2068571774116927
Energy: 2.330315040884984
Energy: 2.2068571774116927
Energy: 2.330315040889984
Energy: 1.274984802663439
Energy: 1.544878628279433
Energy: 1.2749848026498671
Energy: 1.5448786284479434
Energy: 1.2749848026762964
Energy: 1.5448786285571667
Energy: 2.326163375649996
Energy: 1.7524903209384743
Energy: 2.326163375642853
Energy: 1.752490320925682
Energy: 2.326163375649996
Energy: 1.752490320926396
Energy: 2.3762512178974124
Energy: 2.5833760347034964
Energy: 2.376251217999493
Energy: 2.5833760347027823
Energy: 2.3762512180123503
Energy: 2.5833760347034964
Energy: 1.7755907944735256
Energy: 2.2023553724684337
Energy: 1.7755907944735256
Energy: 2.2023553717273123
Energy: 1.7755907944728115
Energy: 2.202355372268559
Energy: 1.7119252271254015
Energy: 1.1616468688170165
Energy: 1.711925227126116
Energy: 1.161646868817666
Energy: 1.7119252271254015
Energy: 1.161646868817666
Energy: 2.335397847284141
Energy: 2.4323354814501505
Energy: 2.335397847284141
Energy: 2.432335481453722
Energy: 2.335397847283427
Energy: 2.4323354814530074
Energy: 2.8983873331863634
Energy: 2.1461312278247826
Energy: 2.898387333185649
Energy: 2.1461312278247826
Energy: 2.8983873331863634
Energy: 2.1461312278247826

minimum gb energy = 1.1438933497962323 eV
minimum distance =  2.24666657089295 Angstroms
sigma value = 41


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

Energy: 1.3750975366931064
Energy: 1.3527631880127735
Energy: 1.3750975366908542
Energy: 1.3527631884573321
Energy: 1.3750975366931064
Energy: 1.352763187686392
Energy: 1.9326683476310853
Energy: 1.7068130775849284
Energy: 1.9326683476333375
Energy: 1.7068130775866173
Energy: 1.9326683476310853
Energy: 1.7068130775877433
Energy: 1.838647073162859
Energy: 2.886032500974493
Energy: 1.838647073162296
Energy: 2.886032500974493
Energy: 1.838647073162296
Energy: 2.886032500973931
Energy: 1.916210915758454
Energy: 1.8760453267567823
Energy: 1.916210915755076
Energy: 1.8760453268097033
Energy: 1.9162109157432532
Energy: 1.8760453267871837
Energy: 1.0188502971669962
Energy: 1.6731678088415551
Energy: 1.018850297167559
Energy: 1.6731678088398665
Energy: 1.0188502971669962
Energy: 1.6731678088398665
Energy: 2.407483127704486
Energy: 1.9625013027412155
Energy: 2.4074831277050492
Energy: 1.9625013027406526
Energy: 2.407483127704486
Energy: 1.9625013027412155
Energy: 2.0188456093980913
Energy: 2.4937647494119957
Energy: 2.0188456093986544
Energy: 2.4937647494119957
Energy: 2.0188456093986544
Energy: 2.4937647494125583
Energy: 1.5094272625908531
Energy: 1.7438000412735246
Energy: 1.509427262666857
Energy: 1.743800041274088
Energy: 1.5094272625795933
Energy: 1.7438000412735246
Energy: 1.4394076791452943
Energy: 1.6108061282855957
Energy: 1.4394076791458574
Energy: 1.6108061282855957
Energy: 1.4394076791458574
Energy: 1.6108061282855957
Energy: 2.316478512196172
Energy: 2.1513286217022514
Energy: 2.316478512196172
Energy: 2.151328621681984
Energy: 2.316478512196172
Energy: 2.1513286216938066
Energy: 2.3244676718161847
Energy: 2.330216743840642
Energy: 2.324467671816748
Energy: 2.3302167415868844
Energy: 2.3244676718161847
Energy: 2.330216737647121
Energy: 1.6106784860349797
Energy: 1.969577456536064
Energy: 1.6106784860361054
Energy: 1.9268506953472448
Energy: 1.6106784860332906
Energy: 1.8356783127550862
Energy: 1.5387243977151976
Energy: 1.5803505204031323
Energy: 1.5387243977151976
Energy: 1.5803505203991914
Energy: 1.5387243977151976
Energy: 1.5803505204003174
Energy: 1.9569710751493168
Energy: 2.476203873793658
Energy: 1.9569710751510059
Energy: 2.476203873790843
Energy: 1.9569710751481908
Energy: 2.476203873785776
Energy: 2.447946507106008
Energy: 2.186618703434263
Energy: 2.4479465071071336
Energy: 2.1866187034224405
Energy: 2.447946507106008
Energy: 2.1866187034320115
Energy: 1.159399197204527
Energy: 1.870046453257913
Energy: 1.159399197204527
Energy: 1.8702377747797734
Energy: 1.159399197204527
Energy: 1.7052950119498789
Energy: 1.981672579417274
Energy: 1.1898954044390806
Energy: 1.9816725791483176
Energy: 1.1898954044818681
Energy: 1.9816725795045378
Energy: 1.189895404372136
Energy: 1.7775764635713003
Energy: 2.8760916949756172
Energy: 1.7775764635740643
Energy: 2.876091694977306
Energy: 1.7775764635707374
Energy: 2.8760916949756172
Energy: 1.981876974418066
Energy: 2.207900725991716
Energy: 1.9818769744186286
Energy: 2.2079007259922787
Energy: 1.981876974418066
Energy: 2.207900725993405
Energy: 1.888928261767922
Energy: 1.8828645892256288
Energy: 1.8889282614989147
Energy: 1.8828645892261915
Energy: 1.8889282613858045
Energy: 1.8828645892261915
Energy: 1.680446769244565
Energy: 1.7089314553059383
Energy: 1.6804467692440022
Energy: 1.7089314553053754
Energy: 1.680446769243439
Energy: 1.708931455306501
Energy: 1.794539761805044
Energy: 2.8662948870051226
Energy: 1.7945397617881542
Energy: 2.866294887011878
Energy: 1.7945397618022292
Energy: 2.8662948870045595
Energy: 2.1005749121720347
Energy: 2.46062945552036
Energy: 2.100574912172598
Energy: 2.460629455519797
Energy: 2.100574912172598
Energy: 2.46062945552036
Energy: 1.526482618579323
Energy: 1.869955181304479
Energy: 1.5264826185646854
Energy: 1.869955181304479
Energy: 1.5264826185855158
Energy: 1.869955181303916
Energy: 1.9483457887232165
Energy: 1.9352351326309842
Energy: 1.9483457887153857
Energy: 1.935235132630421
Energy: 1.9483457887237792
Energy: 1.9352351326309842
Energy: 2.442087813883815
Energy: 2.6300635583544145
Energy: 2.4420878138967637
Energy: 2.630063558181627
Energy: 2.4420878138995783
Energy: 2.6300635583611705
Energy: 1.8660799727274746
Energy: 2.491365910578794
Energy: 1.8660799727252224
Energy: 2.4913659105782315
Energy: 1.8660799727269113
Energy: 2.4913659105765418
Energy: 1.7889895500871855
Energy: 1.6155290092220511
Energy: 1.7889895500871855
Energy: 1.615529009294114
Energy: 1.7889895500871855
Energy: 1.615529009186071
Energy: 2.105019839563022
Energy: 2.1997055368987017
Energy: 2.1050198395618964
Energy: 2.1997055368964498
Energy: 2.10501983956077
Energy: 2.1997055368975755
Energy: 2.5610828956558245
Energy: 2.259577019700418
Energy: 2.5610828954582656
Energy: 2.259577019700418
Energy: 2.561082895435797
Energy: 2.259577019700418
Energy: 1.7679516772023862
Energy: 2.4422084999183546
Energy: 1.7679516771984454
Energy: 2.4422084999189173
Energy: 1.7679516771978827
Energy: 2.4422084999194804
Energy: 2.093916270988618
Energy: 1.0304697663460223
Energy: 2.093916270988055
Energy: 1.0304697663420814
Energy: 2.093916270988618
Energy: 1.0304697663595341
Energy: 1.8583062608264598
Energy: 2.094160305364236
Energy: 1.8583062608213927
Energy: 2.094160305364799
Energy: 1.8583062608202667
Energy: 2.094160305364236

minimum gb energy = 1.0188502971669962 eV
minimum distance =  2.25790787297893 Angstroms
sigma value = 33


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

Energy: 1.1797990605481286
Energy: 1.1503056438999482
Energy: 1.179799060090803
Energy: 1.1503056439058388
Energy: 1.1797990605078268
Energy: 1.1503056439019594
Energy: 2.245696482166028
Energy: 1.6351820047070016
Energy: 2.2456964821668186
Energy: 1.635182004707361
Energy: 2.245696482166388
Energy: 1.6351820047070016
Energy: 1.9200739117824739
Energy: 3.0203298364594753
Energy: 1.9200739117808934
Energy: 3.0203298364618467
Energy: 1.9200739117808934
Energy: 3.0203298364583264
Energy: 1.9408262645566332
Energy: 2.1208843095954864
Energy: 1.9408262645550527
Energy: 2.1208843095954864
Energy: 1.940826264555412
Energy: 2.1208843095962764
Energy: 1.1697030127532904
Energy: 2.442964130306701
Energy: 1.169703012752141
Energy: 2.442964130308712
Energy: 1.169703012752931
Energy: 2.4429641303051204
Energy: 2.261492192022504
Energy: 2.045972427636088
Energy: 2.261492192025665
Energy: 2.045972427634077
Energy: 2.261492192022145
Energy: 2.0459724276345077
Energy: 1.6936183911766074
Energy: 2.5115847207802666
Energy: 1.6936183911640357
Energy: 2.5115847207842177
Energy: 1.6936183911726563
Energy: 2.5115847207810567
Energy: 1.9739167445426853
Energy: 1.9555493696428055
Energy: 1.9739166538290958
Energy: 1.9555493696432364
Energy: 1.9739166409592561
Energy: 1.955549369644027
Energy: 1.889057486984783
Energy: 1.1761724408135865
Energy: 1.8890574869811911
Energy: 1.1761724408140177
Energy: 1.8890574869800414
Energy: 1.1761724408135865
Energy: 2.9991429299718324
Energy: 1.4973470953674355
Energy: 2.999142929973413
Energy: 1.4973470945420082
Energy: 2.9991429299718324
Energy: 1.4973470957154225
Energy: 2.278131869554588
Energy: 2.2813334063146145
Energy: 2.278131869561341
Energy: 2.2813334063146145
Energy: 2.2781318695597603
Energy: 2.2813334063146145
Energy: 2.1538323225052913
Energy: 1.853937383713331
Energy: 2.153832322510464
Energy: 1.853937383661248
Energy: 2.153832322509674
Energy: 1.8539373837536328
Energy: 1.5260941412178342
Energy: 2.2325700382232925
Energy: 1.5260941412178342
Energy: 2.232570038220563
Energy: 1.526094141217475
Energy: 2.232570038221712
Energy: 1.9257480253977308
Energy: 2.2003188617464122
Energy: 1.9257480254001016
Energy: 2.200318861808409
Energy: 1.9257480253981618
Energy: 2.200318861680033
Energy: 2.279751372301246
Energy: 1.7748398882788508
Energy: 2.2797513723031857
Energy: 1.7748398882733192
Energy: 2.279751372301605
Energy: 1.7748398882764802
Energy: 1.9850678749560873
Energy: 2.1292940377179166
Energy: 1.9850678749568775
Energy: 2.129294037717486
Energy: 1.9850678749513457
Energy: 2.1292940377179166
Energy: 2.2577523506458874
Energy: 1.1540244108356468
Energy: 2.2577523506458874
Energy: 1.1540244108367963
Energy: 2.2577523506458874
Energy: 1.1540244108328452
Energy: 2.36583182674232
Energy: 1.8916758119836325
Energy: 2.3658318267410983
Energy: 1.8916758119816213
Energy: 2.365831826742679
Energy: 1.8916758119860035
Energy: 3.0178015057948695
Energy: 1.8163194181339508
Energy: 3.017801505783806
Energy: 1.816319418225186
Energy: 3.0178015057881167
Energy: 1.8163194181233187
Energy: 2.114652170499723
Energy: 1.6456827313639475
Energy: 2.114652170499292
Energy: 1.6456827313592062
Energy: 2.114652170499723
Energy: 1.6456827313643783
Energy: 1.6897001756409207
Energy: 1.6497996431430433
Energy: 1.6897001756476735
Energy: 1.6497996431422528
Energy: 1.6897001756468835
Energy: 1.6497996431237185
Energy: 1.6029243719189536
Energy: 2.2419454693783503
Energy: 1.6029243719150026
Energy: 2.2419454693763385
Energy: 1.6029243719189536
Energy: 2.2419454693763385
Energy: 2.316317694691058
Energy: 1.8624208476950372
Energy: 2.316317694690268
Energy: 1.8624208469561037
Energy: 2.316317694672883
Energy: 1.8624208474608426
Energy: 1.6742129222305457
Energy: 1.9541921393523463
Energy: 1.6742129222301867
Energy: 1.9541921393531365
Energy: 1.6742129222289654
Energy: 1.9541921393523463
Energy: 2.1944233752070375
Energy: 1.2737804713256577
Energy: 2.19442337521142
Energy: 1.273780471208776
Energy: 2.1944233752078284
Energy: 1.273780471159782
Energy: 2.12018429312784
Energy: 2.324929640726462
Energy: 2.1201842931302104
Energy: 2.324929640726103
Energy: 2.12018429312784
Energy: 2.3249296407272526
Energy: 2.4021048475298947
Energy: 1.6318660574721795
Energy: 2.402104847526375
Energy: 1.6318660574698087
Energy: 2.402104847529105
Energy: 1.631866057471389
Energy: 2.0872127588612033
Energy: 1.8646443586994565
Energy: 2.087212758820543
Energy: 1.864644358704557
Energy: 2.0872127588521514
Energy: 1.8646443587026174
Energy: 1.4616596476416843
Energy: 2.136246990624962
Energy: 1.4616596476416843
Energy: 2.136246990623382
Energy: 1.461659647636512
Energy: 2.1362469906237416
Energy: 1.8451338891393276
Energy: 3.0367770702801593
Energy: 1.8451338891385376
Energy: 3.0367770702809502
Energy: 1.845133889140118
Energy: 3.0367770702805905
Energy: 1.880635021256809
Energy: 2.3237303268682568
Energy: 1.8806350212599703
Energy: 2.3237303268413894
Energy: 1.8806350212575993
Energy: 2.3237303268622944
Energy: 1.6807278719968102
Energy: 2.1642659730960188
Energy: 1.6807278719955887
Energy: 2.1642659730928577
Energy: 1.6807278719963792
Energy: 2.164265973094079
Energy: 2.2260088500229087
Energy: 1.824124915695409
Energy: 2.2260088500252793
Energy: 1.824124915695409
Energy: 2.22600885002413
Energy: 1.824124915695409
Energy: 2.4056395968146584
Energy: 2.146384387006702
Energy: 2.4056395968154485
Energy: 2.146384387007061
Energy: 2.4056395968154485
Energy: 2.1463843870059116
Energy: 2.397801900229812
Energy: 2.173114919368483
Energy: 2.39780190022622
Energy: 2.1731149193697044
Energy: 2.3978019002285906
Energy: 2.173114919368483
Energy: 2.2282123304863246
Energy: 1.8262050989045013
Energy: 2.228212330486756
Energy: 1.8262050989060818
Energy: 2.2282123304871146
Energy: 1.8262050989088836
Energy: 1.5772684599430846
Energy: 2.138026476288069
Energy: 1.5772684599426534
Energy: 2.1380264762837586
Energy: 1.5772684599430846
Energy: 2.1380264762869197
Energy: 1.8880757588457204
Energy: 2.329738773837121
Energy: 1.8880757588484505
Energy: 2.329738773837121
Energy: 1.8880757588460797
Energy: 2.329738773837121
Energy: 1.729919706594417
Energy: 3.021764724140863
Energy: 1.7299197068815566
Energy: 3.021764724140073
Energy: 1.7299197067508096
Energy: 3.0217647241405037
Energy: 1.471282643569653
Energy: 2.1274853850240834
Energy: 1.4712826435700124
Energy: 2.127485385023293
Energy: 1.4712826435715929
Energy: 2.1274853850236517
Energy: 1.8844588251876568
Energy: 1.8560065114556537
Energy: 1.8844588256150254
Energy: 1.856006511451343
Energy: 1.8844588252003003
Energy: 1.8560065114592457
Energy: 2.4054734683402024
Energy: 1.638384181981379
Energy: 2.4054734683406336
Energy: 1.6383841819826004
Energy: 2.405473468340993
Energy: 1.6383841819818104
Energy: 2.061670190789775
Energy: 2.3343878296857183
Energy: 2.0616701907885537
Energy: 2.334387829676307
Energy: 2.0616701907913555
Energy: 2.334387829688089
Energy: 2.218035478981342
Energy: 1.6903996308993803
Energy: 2.2180354789797616
Energy: 1.69039963089974
Energy: 2.218035478980552
Energy: 1.6903996308993803
Energy: 1.6717863435325278
Energy: 1.9465686368971522
Energy: 1.6717863435328868
Energy: 1.9465686368983017
Energy: 1.6717863435328868
Energy: 1.9465686368963622
Energy: 2.3158799200359304
Energy: 1.8634437606087555
Energy: 2.3158799200319797
Energy: 1.8634437595546656
Energy: 2.31587992003356
Energy: 1.8634437594512177
Energy: 1.57555019079283
Energy: 2.2614623604835
Energy: 1.5755501907853586
Energy: 2.2614623604839306
Energy: 1.5755501907853586
Energy: 2.2614623604835

minimum gb energy = 1.1503056438999482 eV
minimum distance =  2.31105513830334 Angstroms
sigma value = 67


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

Energy: 2.7755651328883415
Energy: 1.7793297072188734
Energy: 2.7755651328883415
Energy: 1.779329707316578
Energy: 2.7755651328883415
Energy: 1.7793297072294358
Energy: 1.339553968422876
Energy: 1.7846716320341438
Energy: 1.339553968422876
Energy: 1.7846716320367844
Energy: 1.339553968422876
Energy: 1.7846716320367844
Energy: 1.1904795894036146
Energy: 2.7939132086476564
Energy: 1.5374073116642264
Energy: 2.7939132086476564
Energy: 2.5535120856865343
Energy: 2.7939132086476564
Energy: 1.33953562989983
Energy: 1.7903287089491002
Energy: 1.33953562989983
Energy: 1.7903287089491002
Energy: 1.33953562989983
Energy: 1.7903287089491002
Energy: 2.7755651328883415
Energy: 1.779329707503945
Energy: 2.7755651328883415
Energy: 1.7793297081269017
Energy: 2.7755651328883415
Energy: 1.7793297073614092
Energy: 1.339553968422876
Energy: 1.7846716320473468
Energy: 1.339553968422876
Energy: 1.7846716320447062
Energy: 1.339553968422876
Energy: 1.7846716320473468
Energy: 2.221520685939021
Energy: 2.7939132086476564
Energy: 2.2215206893465584
Energy: 2.7939132086476564
Energy: 2.2215206865170267
Energy: 2.7939132086476564

minimum gb energy = 1.1904795894036146 eV
minimum distance =  2.42223928848499 Angstroms
sigma value = 3


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

Energy: 2.5022941625368746
Energy: 2.3661768549437596
Energy: 2.4483799522901246
Energy: 2.3661768549437596
Energy: 2.5022941625368746
Energy: 2.3661768549437596
Energy: 2.4250797919206426
Energy: 2.044534103353679
Energy: 2.4250797919242357
Energy: 2.0445341033572726
Energy: 2.4250797919242357
Energy: 2.044534103353679
Energy: 1.8640871516479256
Energy: 2.7519589444015553
Energy: 1.8514980642393415
Energy: 2.751958944405149
Energy: 1.8640871516479256
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Energy: 1.865322294480225
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Energy: 2.150208493172354
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Energy: 2.150208493172354
Energy: 2.3375821165832313
Energy: 2.2395371309455925
Energy: 2.14522311410568
Energy: 2.2394538127140935
Energy: 2.1452231141092737
Energy: 2.2395371309455925
Energy: 2.1452231141092737
Energy: 2.7550936298997537
Energy: 1.8432116449410845
Energy: 2.7550936299033473
Energy: 1.8432116449410845
Energy: 2.7550936298997537
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Energy: 1.8219731491864244
Energy: 2.7609225504109633
Energy: 1.8219731491900177
Energy: 2.760922550414557
Energy: 1.8219731491864244
Energy: 2.760922550414557
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Energy: 2.05899655556768
Energy: 2.244610073157037
Energy: 2.05899655556768
Energy: 2.2446100731534435
Energy: 2.05899655556768
Energy: 2.430204933573778
Energy: 2.0267337694987058
Energy: 2.430204933577372
Energy: 2.0267337694987058
Energy: 2.430204933573778
Energy: 2.0267337694987058
Energy: 2.524856897198546
Energy: 1.9899668974194415
Energy: 2.524856897198546
Energy: 1.9899668974194415
Energy: 2.524856897198546
Energy: 1.9899668974194415
Energy: 1.8085315624710694
Energy: 2.7162997539313856
Energy: 1.808531695407039
Energy: 2.7162997539349787
Energy: 1.8085315624710694
Energy: 2.7162997539206053
Energy: 2.4615191399960037
Energy: 2.0699250849221187
Energy: 2.4615191399888166
Energy: 2.0699250849221187
Energy: 2.4615191399888166
Energy: 2.0699250849221187
Energy: 2.1750968033947964
Energy: 1.7909036538279588
Energy: 2.1750968033947964
Energy: 1.7909036538279588
Energy: 2.1750968033947964
Energy: 1.7909036538279588
Energy: 2.4117154663314455
Energy: 2.3748061006649266
Energy: 2.4117154663279172
Energy: 2.374806100661333
Energy: 2.4117154663279172
Energy: 2.3748061006649266
Energy: 2.2810017693893836
Energy: 2.6036333461450014
Energy: 2.2538172082604064
Energy: 2.6036333461450014
Energy: 2.2810017693893836
Energy: 2.6036333461450014

minimum gb energy = 1.67557500896889 eV
minimum distance =  2.27467426020089 Angstroms
sigma value = 81


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

Energy: 2.33939595596666
Energy: 2.378704587390902
Energy: 2.3393959559671536
Energy: 2.378704587391395
Energy: 2.3393959559676465
Energy: 2.378704587390902
Energy: 2.3070141700750404
Energy: 2.0395843633071484
Energy: 2.307014170079479
Energy: 2.03958436331356
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Energy: 2.0395843633150395
Energy: 1.8450545468361839
Energy: 2.8021786553864723
Energy: 1.8450545468460477
Energy: 2.802178655385486
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Energy: 2.8021786553859793
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Energy: 2.290106803309471
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Energy: 2.2901068033079914
Energy: 2.0747679936287944
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Energy: 2.0620261342016835
Energy: 2.0335758278422715
Energy: 2.06202613420267
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Energy: 2.0620261342016835
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Energy: 2.2877461326869115
Energy: 2.2368163252387734
Energy: 2.2877461326874045
Energy: 2.2368163252387734
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Energy: 1.903510621924955
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Energy: 1.9481757192511728
Energy: 2.121523469572335
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Energy: 2.1215234695718417
Energy: 1.948175719252159
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Energy: 2.5444187891236596
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Energy: 2.587929601038294
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Energy: 2.442898771715888
Energy: 1.9524049553057496
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Energy: 1.9524049553052565
Energy: 2.4428987717149018
Energy: 1.952404955306243
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Energy: 2.329846088926862
Energy: 2.230722812626319
Energy: 2.329846088926862
Energy: 1.8497568235363069
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Energy: 1.8812141988046
Energy: 2.02917554832693
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Energy: 2.0291755483274234
Energy: 2.4157721921782196
Energy: 2.0263680913953146
Energy: 2.20862630170976
Energy: 2.026368091409124
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Energy: 2.026368091404192
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Energy: 2.1416793144957404
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Energy: 2.1416793145070843
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Energy: 2.296662766742476
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Energy: 2.358110707033094
Energy: 1.8985031997793238
Energy: 2.358110707033094
Energy: 1.8985031997798167
Energy: 2.358110707033094
Energy: 2.8005883225004413
Energy: 2.1385486295054634
Energy: 2.8005883225004413
Energy: 2.138548629490174
Energy: 2.8005883225009347
Energy: 2.1385486294970786
Energy: 2.1511670836204586
Energy: 2.19635376860483
Energy: 2.151167083620952
Energy: 2.196353768605816
Energy: 2.151167083620952
Energy: 2.19635376860483
Energy: 2.073477924861478
Energy: 2.333973113202047
Energy: 2.073477924861478
Energy: 2.333973113202047
Energy: 2.073477924861478
Energy: 2.333973113201554
Energy: 2.1982542771783504
Energy: 2.2118132946223175
Energy: 2.198254277178844
Energy: 2.211813294625277
Energy: 2.198254277178844
Energy: 2.211813294623797
Energy: 2.534549426865378
Energy: 1.9309187219106283
Energy: 2.5345494268658713
Energy: 1.9309187219106283
Energy: 2.534549426865378
Energy: 1.9309187219106283
Energy: 2.2943242781434385
Energy: 2.695309633552355
Energy: 2.2943242781434385
Energy: 2.6953096335543276
Energy: 2.2943242781429456
Energy: 2.6953096335548206
Energy: 1.9551380836618828
Energy: 2.028231799890845
Energy: 1.9551380836623757
Energy: 2.0282317998888724
Energy: 1.9551380836618828
Energy: 2.0282317998933106
Energy: 2.0294908406702827
Energy: 2.2758084939007226
Energy: 2.0294908406702827
Energy: 2.2758084939007226
Energy: 2.0294908406702827
Energy: 2.2758084939007226
Energy: 2.3799155623213815
Energy: 1.808583767702253
Energy: 2.3799155623051056
Energy: 1.8085837677017598
Energy: 2.379915562328286
Energy: 1.8085837677017598
Energy: 1.8050459210277643
Energy: 2.6219314123103876
Energy: 1.805045920895631
Energy: 2.6219314122985504
Energy: 1.8050459210100092
Energy: 2.621931412303976
Energy: 2.4213872944082513
Energy: 2.171550642652325
Energy: 2.421387294408745
Energy: 2.1715506426513382
Energy: 2.421387294408745
Energy: 2.1715506426518316
Energy: 2.956353582616546
Energy: 2.141333292192255
Energy: 2.9563535826175324
Energy: 2.1413332921917627
Energy: 2.956353582616546
Energy: 2.141333292191269
Energy: 2.2551070258492487
Energy: 2.266308546718841
Energy: 2.255107025854674
Energy: 2.266308546718841
Energy: 2.255107025847769
Energy: 2.266308546718841

minimum gb energy = 1.733464740942536 eV
minimum distance =  2.26332980155811 Angstroms
sigma value = 43


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

Energy: 2.253272553429926
Energy: 2.00432385381075
Energy: 2.253272553431744
Energy: 2.00432385381075
Energy: 2.253272553428715
Energy: 2.00432385381075
Energy: 2.350028731499879
Energy: 2.0345500861631125
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Energy: 2.350028731501091
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Energy: 1.8406901020830206
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Energy: 1.805449365534389
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Energy: 2.3769475564285756
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Energy: 2.1524497661802013
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Energy: 1.7003376733746305
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Energy: 1.9786183796098837
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Energy: 1.695550479167881
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Energy: 2.0388786648966426
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Energy: 1.9803150055754388
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Energy: 1.9803150055760448
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Energy: 1.980315005574833
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Energy: 2.4192377761690596
Energy: 1.783228908484224
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Energy: 2.4192377757088366
Energy: 1.783228908484224
Energy: 2.147792541418753
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Energy: 2.147792541418753
Energy: 2.2169072887918033
Energy: 2.147792541418753
Energy: 2.2169072887930152
Energy: 1.8666321205019916
Energy: 2.1468776223068295
Energy: 1.8666321205177427
Energy: 2.1468776223068295
Energy: 1.8666321204922987
Energy: 2.1468776223068295
Energy: 2.3089869861412806
Energy: 2.3350120306379996
Energy: 2.3089869861412806
Energy: 2.3350120306392115
Energy: 2.3089869861412806
Energy: 2.3350120306386057
Energy: 2.3222964888566033
Energy: 2.273702736776477
Energy: 2.3222964888566033
Energy: 2.2737027367758706
Energy: 2.3222964888566033
Energy: 2.2737027367758706
Energy: 2.000318612254316
Energy: 2.228893457392977
Energy: 2.000318612254922
Energy: 2.228893457393583
Energy: 2.000318612254316
Energy: 2.228893457392977
Energy: 1.891320579664324
Energy: 2.246383602513168
Energy: 1.8913205796697763
Energy: 2.246383602513168
Energy: 1.8913205796685648
Energy: 2.246383602513168
Energy: 2.6430215447584056
Energy: 1.6896871194110366
Energy: 2.643021544757194
Energy: 1.6896871194225467
Energy: 2.6430215447577994
Energy: 1.6896871194219412
Energy: 1.8835775837092597
Energy: 2.320909155771939
Energy: 1.8835775837092597
Energy: 2.3209091557749684
Energy: 1.8835775837086541
Energy: 2.320909155771939
Energy: 2.158381224135273
Energy: 2.2465499824070956
Energy: 2.158381224135273
Energy: 2.2465499824070956
Energy: 2.158381224135273
Energy: 2.246549982405884
Energy: 2.2976421405119547
Energy: 2.0618096401213233
Energy: 2.2976421405119547
Energy: 2.0618096401213233
Energy: 2.2976421405119547
Energy: 2.061809640120718
Energy: 2.5409641207852123
Energy: 1.994098587941516
Energy: 2.5409641207840004
Energy: 1.9940985879421222
Energy: 2.5409641207846065
Energy: 1.9940985879421222
Energy: 1.7049245233488917
Energy: 2.193652111579687
Energy: 1.704924523344045
Energy: 2.1936521115875625
Energy: 1.7049245233494974
Energy: 2.1936521115893526
Energy: 2.2028369343915486
Energy: 2.2381400784916017
Energy: 2.2028369343915486
Energy: 2.238140078487361
Energy: 2.2028369343915486
Energy: 2.2381400785024788
Energy: 2.205768899102007
Energy: 1.7004137746632122
Energy: 2.205768899102007
Energy: 1.7004137746626062
Energy: 2.205768899100795
Energy: 1.7004137746620007
Energy: 2.1899531276797894
Energy: 2.2304108029190655
Energy: 2.1899531276797894
Energy: 2.230410802949356
Energy: 2.1899531276797894
Energy: 2.230410802930576
Energy: 1.9041596793384732
Energy: 2.20512370408328
Energy: 1.9041596793408961
Energy: 2.20512370408328
Energy: 1.904159679339079
Energy: 2.20512370408328

minimum gb energy = 1.6896871194110366 eV
minimum distance =  2.25389551438653 Angstroms
sigma value = 57


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

Energy: 2.080067042014773
Energy: 2.060726616678758
Energy: 2.0800670420132046
Energy: 2.0607266166779734
Energy: 2.0800670420132046
Energy: 2.060726616678758
Energy: 2.1442958398066216
Energy: 1.9864491176263752
Energy: 2.1442958398066216
Energy: 1.9864491186871969
Energy: 2.1442958398066216
Energy: 1.9864491176381411
Energy: 1.5240387466504959
Energy: 2.412821521923823
Energy: 1.5240387466497114
Energy: 2.412821521923823
Energy: 1.5240387466504959
Energy: 2.4128215219230387
Energy: 2.551827635249662
Energy: 1.8608356306135974
Energy: 2.551827635251231
Energy: 1.8608356306143818
Energy: 2.5518276352504463
Energy: 1.8608356306135974
Energy: 2.0152324703447406
Energy: 2.2236795993202225
Energy: 2.0152324703565068
Energy: 2.223679599321007
Energy: 2.0152324703549382
Energy: 2.223679599321007
Energy: 1.5890625331903132
Energy: 2.067398325704703
Energy: 1.5890625331942352
Energy: 2.067398325697644
Energy: 1.5890625331903132
Energy: 2.0673983257439232
Energy: 1.8301228227880422
Energy: 1.8724151538666058
Energy: 1.8301228227896107
Energy: 1.8724151538666058
Energy: 1.8301228227911799
Energy: 1.8724151538658216
Energy: 2.383776962722467
Energy: 1.9373332894554138
Energy: 2.383776962720898
Energy: 1.9373332894554138
Energy: 2.3837769627130543
Energy: 1.9373332894554138
Energy: 1.7778584198540013
Energy: 2.045057470697774
Energy: 1.777858419853217
Energy: 2.045057470696205
Energy: 1.7778584198524328
Energy: 2.045057470694636
Energy: 1.7313164359654087
Energy: 2.4596231579947556
Energy: 1.7313164359661932
Energy: 2.437643549723178
Energy: 1.73131643596384
Energy: 2.2317984020830015
Energy: 2.444530782450321
Energy: 1.839094652998408
Energy: 2.444530782627522
Energy: 1.8390946530180179
Energy: 2.444530782487152
Energy: 1.8390946530070365
Energy: 2.0976423618409545
Energy: 2.151942122343747
Energy: 2.097642361841739
Energy: 2.151942122343747
Energy: 2.097642361841739
Energy: 2.151942122343747
Energy: 1.439340249063607
Energy: 2.0361305423729124
Energy: 1.439340249063607
Energy: 2.0361305423721285
Energy: 1.4393402490643914
Energy: 2.0361305423721285
Energy: 2.1041682242659463
Energy: 2.2114238383706892
Energy: 2.104168224256533
Energy: 2.31528302766441
Energy: 2.1041682242659463
Energy: 2.3621037418168225
Energy: 1.9837048141741325
Energy: 1.7439395644720594
Energy: 1.9837048141741325
Energy: 1.7439395644720594
Energy: 1.9837048141733482
Energy: 1.743939564472844
Energy: 1.9003716980831369
Energy: 2.053374609230859
Energy: 1.9003716980815677
Energy: 2.053374609230859
Energy: 1.9003716980831369
Energy: 2.0533746092316427
Energy: 1.5859341387986987
Energy: 2.0159505039636016
Energy: 1.5859341387994832
Energy: 2.015950503962817
Energy: 1.5859341387986987
Energy: 2.0159505039636016
Energy: 2.7540221314948443
Energy: 1.7156855676160367
Energy: 2.7540221312580644
Energy: 1.870353921616345
Energy: 2.7540221314180093
Energy: 2.119233496029438
Energy: 1.584624028706417
Energy: 1.9986459102737244
Energy: 1.584624028706417
Energy: 1.9986459102776464
Energy: 1.5846240287048485
Energy: 1.9986459102752931
Energy: 1.8977193633033986
Energy: 2.067083504307777
Energy: 1.8977193633112421
Energy: 2.067083504306993
Energy: 1.8977193633143798
Energy: 2.067083504307777
Energy: 1.9838301768064757
Energy: 1.745547897664933
Energy: 1.9838301768064757
Energy: 1.7455478976633638
Energy: 1.9838301768064757
Energy: 1.7455478976641488
Energy: 2.1021073815823663
Energy: 2.217181869313466
Energy: 2.1021073815823663
Energy: 2.2171818693299388
Energy: 2.1021073815823663
Energy: 2.217181869322879
Energy: 1.4174444145410026
Energy: 2.0428159633632617
Energy: 1.4174444145402183
Energy: 2.042815963358555
Energy: 1.4174444145394338
Energy: 2.0428159633616927
Energy: 2.1129754359957826
Energy: 2.1651653924538157
Energy: 2.1129754359957826
Energy: 2.1651653924538157
Energy: 2.1129754359957826
Energy: 2.1651653924538157

minimum gb energy = 1.4174444145394338 eV
minimum distance =  2.30805568165159 Angstroms
sigma value = 17


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

Energy: 1.825390012155169
Energy: 1.7745135086440111
Energy: 1.825390012148513
Energy: 1.7745135086417925
Energy: 1.8253900121584965
Energy: 1.7745135086429018
Energy: 1.7144603222128965
Energy: 1.8393503551853982
Energy: 1.7144603222151151
Energy: 1.8393503551820705
Energy: 1.7144603222151151
Energy: 1.8393503551820705
Energy: 1.6271647432810215
Energy: 1.8581356610384183
Energy: 1.627164744125956
Energy: 1.8581356604352615
Energy: 1.627164743694589
Energy: 1.858135661159282
Energy: 1.8047407316576805
Energy: 1.798778808903963
Energy: 1.8047407316587896
Energy: 1.798778808903963
Energy: 1.8047407316587896
Energy: 1.798778808903963
Energy: 1.9760481612261014
Energy: 2.0134052817389088
Energy: 1.9760481612261014
Energy: 2.0134052817389088
Energy: 1.9760481612261014
Energy: 2.0134052817389088
Energy: 1.6087759245033064
Energy: 1.738000646183704
Energy: 1.6087759245033064
Energy: 1.738000646180376
Energy: 1.6087759245033064
Energy: 1.738000646180376
Energy: 1.9559308836825398
Energy: 1.707105888713789
Energy: 1.9559308836847582
Energy: 1.707105888667249
Energy: 1.9559308836825398
Energy: 1.707105888693822
Energy: 1.7264007927000051
Energy: 1.9946588729677632
Energy: 1.7264007927011142
Energy: 1.9946588729677632
Energy: 1.7264007927022234
Energy: 1.9946588729677632
Energy: 1.4533063484363613
Energy: 1.9124712516098619
Energy: 1.4533063484341426
Energy: 1.9124712516098619
Energy: 1.453306348435252
Energy: 1.9124712516098619
Energy: 1.8006041376222246
Energy: 1.9090590492459658
Energy: 1.8006041376222246
Energy: 1.9090590498979323
Energy: 1.8006041376233337
Energy: 1.9090590498269875
Energy: 1.86440833709599
Energy: 1.6167048626372769
Energy: 1.86440833709599
Energy: 1.6167048626372769
Energy: 1.86440833709599
Energy: 1.6167048626361673
Energy: 1.9144910712813799
Energy: 1.952857083442414
Energy: 1.9144910712813799
Energy: 1.9528570834413048
Energy: 1.9144910712824894
Energy: 1.9528570834413048
Energy: 1.6324653527127801
Energy: 1.8748583902648854
Energy: 1.6324653530432005
Energy: 1.8748583902659948
Energy: 1.6324653527438402
Energy: 1.8748583902604483
Energy: 1.9517507179404028
Energy: 1.5084145040399772
Energy: 1.9517507179437303
Energy: 1.5084145040399772
Energy: 1.95175071794484
Energy: 1.5084145040399772
Energy: 1.7329052603619621
Energy: 1.9239214024500615
Energy: 1.7329052603619621
Energy: 1.9239214024500615
Energy: 1.7329052603608528
Energy: 1.923921402451171
Energy: 1.8070175365228338
Energy: 2.2186797201151784
Energy: 1.8070175366037624
Energy: 2.218679720116288
Energy: 1.8070175366669927
Energy: 2.218679720116288
Energy: 1.7045470952086055
Energy: 1.301661716838643
Energy: 1.7045470952086055
Energy: 1.301661716838643
Energy: 1.7045470952086055
Energy: 1.301661716838643

minimum gb energy = 1.301661716838643 eV
minimum distance =  2.31768649455808 Angstroms
sigma value = 17


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

Energy: 1.6891190955586226
Energy: 1.6122566646688083
Energy: 1.689119095559051
Energy: 1.6122566646666667
Energy: 1.6891190955586226
Energy: 1.612256664667095
Energy: 1.5120737480283921
Energy: 1.6743442560762565
Energy: 1.5120737479800253
Energy: 1.6743442560766848
Energy: 1.5120737480065454
Energy: 1.6743442560766848
Energy: 1.540977695068434
Energy: 1.775469922502418
Energy: 1.540977695068434
Energy: 1.7754699225032748
Energy: 1.540977695068434
Energy: 1.7754699225037034
Energy: 1.545385586304919
Energy: 1.461216070979432
Energy: 1.5453855863023878
Energy: 1.461216070979432
Energy: 1.5453855863044907
Energy: 1.4612160709802886
Energy: 1.8358047205221715
Energy: 1.7965165287431184
Energy: 1.8358047205221715
Energy: 1.7965165287444038
Energy: 1.8358047205221715
Energy: 1.7965165287439753
Energy: 1.5516668837995182
Energy: 1.8249742491435068
Energy: 1.551666883800375
Energy: 1.8249742491623167
Energy: 1.55166688379909
Energy: 1.8249742491678855
Energy: 1.7099492126242342
Energy: 1.6015150310494517
Energy: 1.7099492126242342
Energy: 1.6015150310485948
Energy: 1.7099492126238056
Energy: 1.6015150310494517
Energy: 1.7719037276648275
Energy: 1.8268311906863048
Energy: 1.7719037276643994
Energy: 1.826831190685448
Energy: 1.771903727666541
Energy: 1.826831190685448
Energy: 1.498466068550373
Energy: 1.8573441124217582
Energy: 1.4984660685482312
Energy: 1.8573441123609293
Energy: 1.4984660685478028
Energy: 1.8573441123305539
Energy: 1.6258455328982253
Energy: 1.606862607771802
Energy: 1.6258455329093626
Energy: 1.6068626077726589
Energy: 1.6258455328960832
Energy: 1.6068626077782278
Energy: 1.6726613827272045
Energy: 1.747080821435264
Energy: 1.6726613827280616
Energy: 1.7470808214356925
Energy: 1.6726613827267767
Energy: 1.747080821435264
Energy: 1.462271477764517
Energy: 1.8253171884205421
Energy: 1.4622714777640884
Energy: 1.8253171884213988
Energy: 1.4622714777640884
Energy: 1.8253171884209707
Energy: 1.758731442380878
Energy: 1.711777367923053
Energy: 1.7587314423813065
Energy: 1.711777367923053
Energy: 1.7587314423804494
Energy: 1.711777367923053
Energy: 1.7524976662925729
Energy: 1.4306108992126827
Energy: 1.7524976662985698
Energy: 1.4306108987314257
Energy: 1.7524976662904306
Energy: 1.4306108996113414
Energy: 1.7185400374575797
Energy: 1.745979390751257
Energy: 1.7185400374575797
Energy: 1.7459793907521137
Energy: 1.718540037461435
Energy: 1.7459793907585395
Energy: 1.7907606600502226
Energy: 1.932770064234021
Energy: 1.7907606600506512
Energy: 1.8477488616200912
Energy: 1.7907606600502226
Energy: 1.939858359945275
Energy: 1.8428485522092268
Energy: 1.2334037266667477
Energy: 1.8428485522113687
Energy: 1.233403726667176
Energy: 1.8428485522105122
Energy: 1.2334037266663194
Energy: 1.5550292171839093
Energy: 1.6866872991288484
Energy: 1.5550292171839093
Energy: 1.6866872991446589
Energy: 1.5550292171839093
Energy: 1.6866872991318471
Energy: 1.8900258064740432
Energy: 2.0731512745971736
Energy: 1.8900258064740432
Energy: 2.073151274596746
Energy: 1.8900258064740432
Energy: 2.0731512745971736
Energy: 1.7107124593472502
Energy: 1.2978129297535932
Energy: 1.710712459336541
Energy: 1.3216070721679727
Energy: 1.710712459344252
Energy: 1.3026931953554897
Energy: 1.8931636611886198
Energy: 2.014334127968859
Energy: 1.8931636611877627
Energy: 2.014334127946155
Energy: 1.8931636611881912
Energy: 2.0143341279748554
Energy: 1.546386267901507
Energy: 1.673179178079357
Energy: 1.5463862678805167
Energy: 1.6731791780785001
Energy: 1.546386267871949
Energy: 1.673179178080214
Energy: 1.8365568918083934
Energy: 1.2216607096590704
Energy: 1.8365568918049664
Energy: 1.2216607096629255
Energy: 1.8365568918075368
Energy: 1.2216607096603556
Energy: 1.7735905500813485
Energy: 1.8157098334461041
Energy: 1.773590550083062
Energy: 1.815709510112921
Energy: 1.773590550081777
Energy: 1.8157096457601767
Energy: 1.7302425776429347
Energy: 1.753046375702473
Energy: 1.7302425776429347
Energy: 1.75304637570333
Energy: 1.7302425776429347
Energy: 1.753046375703758
Energy: 1.745525920375385
Energy: 1.519710681846192
Energy: 1.7455259204301778
Energy: 1.519710681847477
Energy: 1.7455259203552516
Energy: 1.5197106818444783
Energy: 1.8270086520040294
Energy: 1.7146920895502498
Energy: 1.8270086519946054
Energy: 1.7146920895515352
Energy: 1.8270086519903215
Energy: 1.7146920895506783
Energy: 1.4479352666631962
Energy: 1.7778813326374368
Energy: 1.447935266631925
Energy: 1.7778813326365799
Energy: 1.4479352666601977
Energy: 1.777881332640007
Energy: 1.6798123498395636
Energy: 1.7586351040422932
Energy: 1.6798123498382782
Energy: 1.7586351040422932
Energy: 1.6798123498387068
Energy: 1.758635104041436
Energy: 1.6290904474693688
Energy: 1.5346118385007261
Energy: 1.6290904474715107
Energy: 1.5346118385015828
Energy: 1.629090447457803
Energy: 1.5346118385007261
Energy: 1.458971217564205
Energy: 1.8878832948528559
Energy: 1.4589712175663467
Energy: 1.8878832948524273
Energy: 1.4589712175633482
Energy: 1.8878832948584248
Energy: 1.7893220866101867
Energy: 1.865892119648291
Energy: 1.7893220866097583
Energy: 1.8658921196487193
Energy: 1.7893220866101867
Energy: 1.865892119648291
Energy: 1.7234612392318833
Energy: 1.6497037222371898
Energy: 1.7234612392314552
Energy: 1.6497037222367616
Energy: 1.7234612392314552
Energy: 1.6497037222367616
Energy: 1.5630024485905234
Energy: 1.5880921343041576
Energy: 1.5630024485896667
Energy: 1.5880921343341046
Energy: 1.5630024485896667
Energy: 1.5880921343443855
Energy: 1.7979114281689872
Energy: 1.796676747660508
Energy: 1.7979114281728428
Energy: 1.7966767476617933
Energy: 1.7979114281715576
Energy: 1.7966767476617933
Energy: 1.5440427978114408
Energy: 1.4791169858121394
Energy: 1.5440427978127258
Energy: 1.4791169858125675
Energy: 1.5440427978097273
Energy: 1.4791169858121394
Energy: 1.5634903262541033
Energy: 1.7173387658240629
Energy: 1.5634903262541033
Energy: 1.7173387658236343
Energy: 1.5634903262541033
Energy: 1.7173387657928305
Energy: 1.5937920930925522
Energy: 1.6395591754700993
Energy: 1.5937920930595673
Energy: 1.6395591754032732
Energy: 1.5937920930874117
Energy: 1.6395591754499657
Energy: 1.6891190955569089
Energy: 1.612256664673949
Energy: 1.6891190955569089
Energy: 1.612256664672664
Energy: 1.689119095556481
Energy: 1.6122566646735206
Energy: 1.5120737508715385
Energy: 1.6743442560831103
Energy: 1.5120737509301865
Energy: 1.6743442560831103
Energy: 1.512073750858259
Energy: 1.6743442560822537
Energy: 1.5409776950671488
Energy: 1.775469922471186
Energy: 1.5409776950680054
Energy: 1.7754699224746129
Energy: 1.540977695067577
Energy: 1.7754699224707575
Energy: 1.5453855863451862
Energy: 1.4570851726374585
Energy: 1.545385586346043
Energy: 1.4570851726361733
Energy: 1.545385586343901
Energy: 1.4570851726378866
Energy: 1.8358047205225998
Energy: 1.7965165287384064
Energy: 1.8358047205225998
Energy: 1.7965165287366929
Energy: 1.8358047205221715
Energy: 1.7965165287384064

minimum gb energy = 1.2216607096590704 eV
minimum distance =  2.29365439027124 Angstroms
sigma value = 57


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

Energy: 1.5687577010252964
Energy: 1.5064503339983744
Energy: 1.5687577010211118
Energy: 1.5064503340095343
Energy: 1.5687577010245992
Energy: 1.506450333999072
Energy: 1.681445874985466
Energy: 1.6006352199442428
Energy: 1.6814458749882562
Energy: 1.6006352199407554
Energy: 1.681445874985466
Energy: 1.6006352199442428
Energy: 1.5569165403512522
Energy: 1.732049042885346
Energy: 1.5569165403540421
Energy: 1.7320490428860436
Energy: 1.5569165403575294
Energy: 1.732049042885346
Energy: 1.577779422905583
Energy: 1.3938633162336287
Energy: 1.577779422905583
Energy: 1.3938633162343261
Energy: 1.5777794229062805
Energy: 1.3938633162336287
Energy: 1.6824938602441255
Energy: 1.4929093191626355
Energy: 1.6824938602441255
Energy: 1.492909319161938
Energy: 1.6824938602441255
Energy: 1.4929093191606064
Energy: 1.2275032632687652
Energy: 1.867851056683862
Energy: 1.2275032632680676
Energy: 1.8678510566873496
Energy: 1.2275032632687652
Energy: 1.8678510566810722
Energy: 1.6670387822520811
Energy: 1.523437778383371
Energy: 1.6670387822520811
Energy: 1.5234377783854636
Energy: 1.6670387822520811
Energy: 1.5234377783826736
Energy: 1.8154513688673026
Energy: 1.897732083215627
Energy: 1.8154513688693952
Energy: 1.8977320832163245
Energy: 1.8154513688673026
Energy: 1.897732083215627
Energy: 1.3516679944238312
Energy: 1.7008616972545174
Energy: 1.3516679944266212
Energy: 1.7008616972559123
Energy: 1.3516679944238312
Energy: 1.7008616972573074
Energy: 1.5579270178819418
Energy: 1.6529640345841232
Energy: 1.55792701504581
Energy: 1.6529640345834258
Energy: 1.5579270167260062
Energy: 1.6529640345834258
Energy: 1.6797958399578548
Energy: 1.7738076342993094
Energy: 1.6797958399704096
Energy: 1.7738076342965197
Energy: 1.6797958399759896
Energy: 1.7738076343244196
Energy: 1.301467367099347
Energy: 1.5930652611746554
Energy: 1.3014673670637749
Energy: 1.5930652612561989
Energy: 1.301467367102137
Energy: 1.5930652611530334
Energy: 1.5945163543782495
Energy: 1.621424051791347
Energy: 1.594516354786156
Energy: 1.6214240517885572
Energy: 1.5945163547031542
Energy: 1.6214240517920444
Energy: 1.5914970856871253
Energy: 1.60897544353564
Energy: 1.5914970856878228
Energy: 1.60897544353564
Energy: 1.5914970856871253
Energy: 1.60897544353564
Energy: 1.34571634702704
Energy: 1.7108724547582836
Energy: 1.3457163470277376
Energy: 1.7108724547624687
Energy: 1.345716347031225
Energy: 1.7108724547603762
Energy: 1.642309526115445
Energy: 1.5980461174244036
Energy: 1.6423095263894327
Energy: 1.598046117586856
Energy: 1.6423095261754292
Energy: 1.5980461174404461
Energy: 1.6943769161256341
Energy: 1.3946914450393584
Energy: 1.6943769160935493
Energy: 1.3946914448009426
Energy: 1.6943769161249367
Energy: 1.3946914449961771
Energy: 1.5038082330146274
Energy: 1.6299892693360218
Energy: 1.50380823301393
Energy: 1.6299892693332318
Energy: 1.50380823301393
Energy: 1.629989269337417
Energy: 1.6857882782449336
Energy: 1.8019141134951695
Energy: 1.6857882782470262
Energy: 1.801914113495867
Energy: 1.6857882782553961
Energy: 1.801914113495867
Energy: 1.64019088911295
Energy: 1.0984868967351125
Energy: 1.6401908890969712
Energy: 1.0984868968061932
Energy: 1.640190889095576
Energy: 1.0984868967413897
Energy: 1.5481099105583846
Energy: 1.4475574167266303
Energy: 1.5481099105569895
Energy: 1.4475574167670215
Energy: 1.5481099105576872
Energy: 1.4475574167509793
Energy: 1.6005919436660703
Energy: 1.7918452032268957
Energy: 1.6005919436674654
Energy: 1.791845203210156
Energy: 1.6005919436660703
Energy: 1.7918452032429382
Energy: 1.6527583158574395
Energy: 1.1706402011123733
Energy: 1.6527583158685992
Energy: 1.1706402011137684
Energy: 1.6527583158609271
Energy: 1.1706402011123733
Energy: 1.5564568773669156
Energy: 1.608855954153498
Energy: 1.5564568773683105
Energy: 1.6088559541660528
Energy: 1.5564568773669156
Energy: 1.6088559541604728
Energy: 1.6484911450321356
Energy: 1.5368948874875368
Energy: 1.648491145030043
Energy: 1.5368948877866342
Energy: 1.648491145032833
Energy: 1.5368948875063688
Energy: 1.5333342343554333
Energy: 1.2144715744381402
Energy: 1.5333342343617107
Energy: 1.2144715744374428
Energy: 1.5333342343610132
Energy: 1.2144715744381402
Energy: 1.599493562200969
Energy: 1.9096670213333564
Energy: 1.5994935622016664
Energy: 1.9096670213389362
Energy: 1.5994935622002713
Energy: 1.9096670213396338

minimum gb energy = 1.0984868967351125 eV
minimum distance =  2.3050406003026 Angstroms
sigma value = 43


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

Energy: 1.4461518330603433
Energy: 1.3151599253293809
Energy: 1.4461518330598353
Energy: 1.3151599253364954
Energy: 1.4461518330663954
Energy: 1.315159925345643
Energy: 1.4297056899271139
Energy: 1.5069579547840781
Energy: 1.4297056899266058
Energy: 1.5069579547856025
Energy: 1.4297056899266058
Energy: 1.5069579547754386
Energy: 1.3311343754112603
Energy: 1.570146096609278
Energy: 1.3311343754077032
Energy: 1.570146104645383
Energy: 1.3311343754112603
Energy: 1.5701461130273848
Energy: 1.3989683283751584
Energy: 1.1970734442716375
Energy: 1.3989683283908663
Energy: 1.197073444272654
Energy: 1.3989683283700762
Energy: 1.1970734442721458
Energy: 1.4671349866804444
Energy: 1.37753833162518
Energy: 1.467134986674346
Energy: 1.3775383316241636
Energy: 1.4671349866712968
Energy: 1.3775383316216225
Energy: 1.2150888786317622
Energy: 1.6597960735273256
Energy: 1.2150888786393854
Energy: 1.6597960735252926
Energy: 1.2150888786322707
Energy: 1.6597960735298662
Energy: 1.4387080783922237
Energy: 1.3313444261901548
Energy: 1.4387080785679671
Energy: 1.3313444261896468
Energy: 1.4387080787193633
Energy: 1.3313444261891385
Energy: 1.5480653467429746
Energy: 1.4980736666714018
Energy: 1.5480653466759386
Energy: 1.4980736666693695
Energy: 1.548065346691185
Energy: 1.4980736666714018
Energy: 1.111889083735817
Energy: 1.6078910657769554
Energy: 1.111889083733784
Energy: 1.607891065775939
Energy: 1.1118890837348006
Energy: 1.6078910657774637
Energy: 1.3704994409615487
Energy: 1.2900827751888944
Energy: 1.3704994409849256
Energy: 1.2900827753244906
Energy: 1.3704994409767945
Energy: 1.2900827752498318
Energy: 1.5976360432422632
Energy: 1.6070835253264062
Energy: 1.597636043241755
Energy: 1.6070835253264062
Energy: 1.5976360432427714
Energy: 1.6070835253264062
Energy: 1.2794688474176719
Energy: 1.4620751908930816
Energy: 1.2794688474181801
Energy: 1.4620751908514096
Energy: 1.2794688474171638
Energy: 1.4620751907808163
Energy: 1.4491892288556316
Energy: 1.4141342051206731
Energy: 1.4491892288637627
Energy: 1.4141342051211814
Energy: 1.4491892288561397
Energy: 1.4141342051211814
Energy: 1.4831013243449942
Energy: 1.5160053800159325
Energy: 1.4831013243429614
Energy: 1.5160053800159325
Energy: 1.4831013243490598
Energy: 1.5160053800139
Energy: 1.268536224909591
Energy: 1.441217217092942
Energy: 1.268536224909591
Energy: 1.441217217084303
Energy: 1.268536224909083
Energy: 1.4412172170944668
Energy: 1.731957949122998
Energy: 1.3601453634975116
Energy: 1.7319579494821538
Energy: 1.3601453634975116
Energy: 1.731957949141293
Energy: 1.360145363497003
Energy: 1.4432555244208307
Energy: 1.3976312127052508
Energy: 1.443255524418798
Energy: 1.3976312127037263
Energy: 1.443255524421339
Energy: 1.3976312127047426
Energy: 1.1619773926768835
Energy: 1.4581554449327554
Energy: 1.16197739267134
Energy: 1.4581554449322471
Energy: 1.1619773926743888
Energy: 1.4581554449327554
Energy: 1.7017424466976143
Energy: 1.3609891583566813
Energy: 1.70174244670168
Energy: 1.360989158392255
Energy: 1.7017424466986308
Energy: 1.3609891583729437
Energy: 1.5100079055356972
Energy: 1.498328295511471
Energy: 1.5100079055367135
Energy: 1.4983282934379383
Energy: 1.5100079055447984
Energy: 1.498328296032649
Energy: 1.2342994816564044
Energy: 1.4724852272669768
Energy: 1.2342994816518305
Energy: 1.4724852272730753
Energy: 1.2342994816548798
Energy: 1.4724852272669768
Energy: 1.5949740118844895
Energy: 1.4827371666089062
Energy: 1.5949740118834732
Energy: 1.4827371666089062
Energy: 1.5949740118849978
Energy: 1.48273716660789
Energy: 1.6082594581007836
Energy: 1.2035422341759068
Energy: 1.6082594581058653
Energy: 1.203542219936483
Energy: 1.6082594581139966
Energy: 1.203542227582478
Energy: 1.334935373392557
Energy: 1.4081961798227873
Energy: 1.3349353734067404
Energy: 1.4081961798253284
Energy: 1.3349353733940814
Energy: 1.408196179821263
Energy: 1.5518548325267127
Energy: 1.5379146182359609
Energy: 1.551854832522647
Energy: 1.5379146190304565
Energy: 1.551854832521631
Energy: 1.53791461810845
Energy: 1.466889900007261
Energy: 1.1187705662995187
Energy: 1.4668899000011628
Energy: 1.1187705662985024
Energy: 1.4668899000077693
Energy: 1.1187705662995187
Energy: 1.2667182208944452
Energy: 1.3090639792399075
Energy: 1.2667182208959697
Energy: 1.3090639792399075
Energy: 1.3101161848979417
Energy: 1.3090639792404155
Energy: 1.5022378899190105
Energy: 1.3701324374905177
Energy: 1.5022378899195188
Energy: 1.3701324373513184
Energy: 1.5022378899195188
Energy: 1.370132437457993
Energy: 1.5817025121447064
Energy: 1.0529199620895067
Energy: 1.5817025121502966
Energy: 1.0529199620895067
Energy: 1.5817025121508046
Energy: 1.0529199620834082
Energy: 1.2835201746246943
Energy: 1.3198170158919988
Energy: 1.2835201746180878
Energy: 1.3198170158914906
Energy: 1.2835201746267269
Energy: 1.3198170158960645
Energy: 1.3924979904335146
Energy: 1.439484727267659
Energy: 1.3924979904330066
Energy: 1.4394847284370182
Energy: 1.4383653460440256
Energy: 1.4394847273473996
Energy: 1.6487626441931673
Energy: 1.0713375743769307
Energy: 1.6487626441952004
Energy: 1.0713375743794715
Energy: 1.6487626441962164
Energy: 1.0713375743733733
Energy: 1.4418102505616353
Energy: 1.4166674153055268
Energy: 1.4418102507394577
Energy: 1.4166674153029861
Energy: 1.441810250544911
Energy: 1.4166674153055268
Energy: 1.518529212384153
Energy: 1.3348599705836872
Energy: 1.5185292123902514
Energy: 1.3348599689048382
Energy: 1.5185292123683989
Energy: 1.3348599704841269
Energy: 1.4536653992568311
Energy: 1.062863937289384
Energy: 1.4536653992629296
Energy: 1.0628639355795353
Energy: 1.4536653992730935
Energy: 1.0628639368377826
Energy: 1.4596133085476573
Energy: 1.4520369067744767
Energy: 1.4596133085476573
Energy: 1.452036906939086
Energy: 1.4596133085476573
Energy: 1.4520369069116434

minimum gb energy = 1.0529199620834082 eV
minimum distance =  2.26455919814427 Angstroms
sigma value = 81


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

Energy: 0.08101871449672443
Energy: 0.9722625737916644
Energy: 0.08101871449672443
Energy: 0.9722625737916644
Energy: 0.08101871449672443
Energy: 0.9722625737916644
Energy: 0.49516841857195903
Energy: 0.6384156804561395
Energy: 0.49516841857195903
Energy: 0.6384156804561395
Energy: 0.49516841857195903
Energy: 0.6384156804561395
Energy: 0.4951462198372824
Energy: 0.6383852146100302
Energy: 0.4951462198372824
Energy: 0.6383852146100302
Energy: 0.4951462198372824
Energy: 0.6383852146100302
Energy: 0.08101871449672443
Energy: 0.9722625737916644
Energy: 0.08101871449672443
Energy: 0.9722625737916644
Energy: 0.08101871449672443
Energy: 0.9722625737916644
Energy: 0.49516841857009175
Energy: 0.6384156804561395
Energy: 0.49516841857009175
Energy: 0.6384156804561395
Energy: 0.49516841857195903
Energy: 0.6384156804561395
Energy: 0.4951462198372824
Energy: 0.6383852146100302
Energy: 0.4951462198372824
Energy: 0.6383852146100302
Energy: 0.4951462198372824
Energy: 0.6383852146100302
Energy: 0.08101871449672443
Energy: 0.9722625737897971
Energy: 0.08101871449672443
Energy: 0.9722625737916644
Energy: 0.08101871449672443
Energy: 0.9722625737916644
Energy: 0.49516841857195903
Energy: 0.6384156804561395
Energy: 0.49516841857195903
Energy: 0.6384156804561395
Energy: 0.49516841857195903
Energy: 0.6384156804580066
Energy: 0.4951462198372824
Energy: 0.6383852146100302
Energy: 0.4951462198372824
Energy: 0.6383852146100302
Energy: 0.4951462198372824
Energy: 0.6383852146100302
Energy: 0.08101871449672443
Energy: 0.9722625737897971
Energy: 0.08101871449672443
Energy: 0.9722625737916644
Energy: 0.08101871449672443
Energy: 0.9722625737897971

minimum gb energy = 0.08101871449672443 eV
minimum distance =  2.31579285442227 Angstroms
sigma value = 3


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

Energy: 1.584909130530708
Energy: 1.3235193608983626
Energy: 1.5849091248069285
Energy: 1.3235193609056266
Energy: 1.584909130514503
Energy: 1.3235193609061853
Energy: 1.4922224468631333
Energy: 1.561504693687205
Energy: 1.4922224468631333
Energy: 1.5615046936860875
Energy: 1.4922224468625749
Energy: 1.5615046936542374
Energy: 1.3175767616714134
Energy: 1.4569275114164486
Energy: 1.3449025024439274
Energy: 1.4569275114410345
Energy: 1.2989738744696893
Energy: 1.4569275114181248
Energy: 1.5596861307821959
Energy: 1.35063394778251
Energy: 1.5596861307805705
Energy: 1.3506339467464914
Energy: 1.5596861307827548
Energy: 1.3506339474926585
Energy: 1.3519468683801334
Energy: 1.5733846543925356
Energy: 1.3519468683801334
Energy: 1.5733846543925356
Energy: 1.3519468683801334
Energy: 1.5733846543964471
Energy: 1.2960688762080819
Energy: 1.3387264506585452
Energy: 1.2960688762075234
Energy: 1.3387264506624568
Energy: 1.2960688762019354
Energy: 1.3387264506635743
Energy: 1.4756217553286362
Energy: 1.3301909498825357
Energy: 1.475621755361553
Energy: 1.3301909498339735
Energy: 1.475621755363788
Energy: 1.3301909500987308
Energy: 1.1919465518123995
Energy: 1.8928174698207636
Energy: 1.1919465518107228
Energy: 1.8928174698207636
Energy: 1.1919465518118404
Energy: 1.8928174698207636
Energy: 1.4566854930527582
Energy: 1.3393391577899583
Energy: 1.456685493053317
Energy: 1.3393391577938696
Energy: 1.456685493053317
Energy: 1.339339157790517
Energy: 1.7519904647762101
Energy: 1.1493196623834305
Energy: 1.751990464777328
Energy: 1.1493196623761663
Energy: 1.7519904647750928
Energy: 1.1493196623778426
Energy: 1.3204008029343495
Energy: 1.8926254428398293
Energy: 1.3204008029349084
Energy: 1.8926254428415057
Energy: 1.320400802935467
Energy: 1.8926254428426232
Energy: 1.3108601730994898
Energy: 1.4447065477542254
Energy: 1.3108601730961371
Energy: 1.4447065477559016
Energy: 1.310860173098931
Energy: 1.4447065477564602
Energy: 1.8971441383903702
Energy: 1.1737537786350893
Energy: 1.8971441383859
Energy: 1.173753778635648
Energy: 1.8971441383853413
Energy: 1.1737537786295018
Energy: 1.2868950254495053
Energy: 1.5279016583324654
Energy: 1.2868950254567693
Energy: 1.5279016583296716
Energy: 1.2868950254567693
Energy: 1.5279016583347007
Energy: 1.32387857284241
Energy: 1.3833185605306442
Energy: 1.32387857284241
Energy: 1.383318560583169
Energy: 1.323878572842969
Energy: 1.3833185605054994
Energy: 1.671936289822928
Energy: 1.144733423049735
Energy: 1.671936340026617
Energy: 1.144733423049735
Energy: 1.6719363063262263
Energy: 1.144733423050294
Energy: 1.2880327795375628
Energy: 1.5385187604728812
Energy: 1.2880327795353275
Energy: 1.538518760466735
Energy: 1.2880327795358864
Energy: 1.5385187604728812
Energy: 1.4528024481669612
Energy: 1.5165268126149214
Energy: 1.4528024481675197
Energy: 1.5165268126115687
Energy: 1.4528024481725488
Energy: 1.516526812621627
Energy: 1.5467016617952196
Energy: 1.1718446699525926
Energy: 1.5467016617952196
Energy: 1.1718446699525926
Energy: 1.5467016617957785
Energy: 1.1718446699525926
Energy: 1.3206454803298089
Energy: 1.7052504932583856
Energy: 1.3206454803303678
Energy: 1.7052504932572683
Energy: 1.3206454803298089
Energy: 1.705250493257827
Energy: 1.6330176240575727
Energy: 1.456948702321238
Energy: 1.6330176240531022
Energy: 1.4569487023245904
Energy: 1.6330176240558962
Energy: 1.456948702321238
Energy: 1.6580253068377666
Energy: 1.2388397833745408
Energy: 1.6580253068360904
Energy: 1.2388397618925127
Energy: 1.6580253068372082
Energy: 1.2388397853025663
Energy: 1.2723038325638127
Energy: 1.5359328401295134
Energy: 1.272303832572753
Energy: 1.5359328401188967
Energy: 1.2723038325666065
Energy: 1.5359328401261607
Energy: 1.6773693492551913
Energy: 1.4641076644088187
Energy: 1.6773693492551913
Energy: 1.4641076644116124
Energy: 1.677369349254074
Energy: 1.4641076644093771
Energy: 1.4565292401735248
Energy: 1.3031813934323253
Energy: 1.4565292401746426
Energy: 1.3031813934328842
Energy: 1.4565292401763188
Energy: 1.3031813934429421
Energy: 1.1648562674716592
Energy: 1.4265441964978418
Energy: 1.1648562674716592
Energy: 1.4265441964894603
Energy: 1.1648562674705418
Energy: 1.4265441964950478
Energy: 1.6297863330589013
Energy: 1.3613307905661494
Energy: 1.6297863330555484
Energy: 1.3613307905661494
Energy: 1.6297863330583424
Energy: 1.3613307905667078
Energy: 1.38533742240083
Energy: 1.4364408601176217
Energy: 1.38533742240083
Energy: 1.43644086010924
Energy: 1.38533742240083
Energy: 1.4364408601159457
Energy: 1.0592505437262494
Energy: 1.7816358780174086
Energy: 1.0592505437262494
Energy: 1.7816358780168497
Energy: 1.059250543726808
Energy: 1.7816358780157326
Energy: 1.6217919642265726
Energy: 1.4169661618431246
Energy: 1.6217919642265726
Energy: 1.4169661618157448
Energy: 1.621791964224896
Energy: 1.4169661618436833
Energy: 1.3773899315388858
Energy: 1.4590061575977276
Energy: 1.3773899315388858
Energy: 1.4590061575971685
Energy: 1.3773899315377682
Energy: 1.4590061575977276
Energy: 1.201892869239604
Energy: 1.8914005789318717
Energy: 1.2018928692401631
Energy: 1.8914005789385768
Energy: 1.201892869239604
Energy: 1.8914005789318717
Energy: 1.437676197896478
Energy: 1.4039662604424978
Energy: 1.4376761978959194
Energy: 1.4039662604419394
Energy: 1.4376761979070947
Energy: 1.4039662604424978

minimum gb energy = 1.0592505437262494 eV
minimum distance =  2.25138536363243 Angstroms
sigma value = 67


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

Energy: 1.9499220868276492
Energy: 1.3866335121584517
Energy: 1.949922086463139
Energy: 1.3866335121576554
Energy: 1.9499220867774896
Energy: 1.3866335121576554
Energy: 1.8454007908245627
Energy: 1.7793760510538674
Energy: 1.8454007908213779
Energy: 1.7793760510538674
Energy: 1.8454007908213779
Energy: 1.7793760510530714
Energy: 1.6499061210536226
Energy: 1.5282907641903758
Energy: 1.6499061210512342
Energy: 1.5282907641887833
Energy: 1.681068158872041
Energy: 1.5282907641895795
Energy: 1.9016122227943466
Energy: 1.3483133598048742
Energy: 1.9016122228046974
Energy: 1.348313359804078
Energy: 1.9016122227959393
Energy: 1.348313359804078
Energy: 1.3827872247678314
Energy: 2.027909986778943
Energy: 1.3827872247678314
Energy: 2.02790998677974
Energy: 1.3827872247678314
Energy: 2.027909986778943
Energy: 1.4165569233644435
Energy: 1.5193342144958673
Energy: 1.416556923358074
Energy: 1.5193342144863131
Energy: 1.4165569233644435
Energy: 1.5193342144958673
Energy: 1.9487388908411634
Energy: 1.4646934804309786
Energy: 1.9487388908411634
Energy: 1.4646934804301825
Energy: 1.9487388908411634
Energy: 1.4646934804301825
Energy: 1.5630940157313835
Energy: 1.9925681408481226
Energy: 1.5630940157313835
Energy: 1.9925681408433455
Energy: 1.5630940157313835
Energy: 1.9925681408481226
Energy: 1.480153375084434
Energy: 1.7079929301661247
Energy: 1.4801533750828417
Energy: 1.707992930165328
Energy: 1.4801533750836378
Energy: 1.707992930165328
Energy: 1.8899512674579093
Energy: 1.3632139742096472
Energy: 1.8899512674579093
Energy: 1.3632139742096472
Energy: 1.8899512674571133
Energy: 1.3632139742096472
Energy: 1.4983835856877876
Energy: 1.7874424955317973
Energy: 1.49838358568938
Energy: 1.7874424955317973
Energy: 1.4983835856885839
Energy: 1.7874424955302053
Energy: 1.5971280699423327
Energy: 1.6380758402891538
Energy: 1.5971280699415364
Energy: 1.6380758402891538
Energy: 1.5971280699423327
Energy: 1.6380758402907465
Energy: 1.5378278583081466
Energy: 1.3095749848359517
Energy: 1.5378278583097391
Energy: 1.3095749848359517
Energy: 1.5378278583073501
Energy: 1.3095749848359517
Energy: 1.4955627033678924
Energy: 1.7798479498254358
Energy: 1.4955627034339039
Energy: 1.779847949826232
Energy: 1.4955627034920256
Energy: 1.779847949826232
Energy: 1.674997023521259
Energy: 1.6470379460358837
Energy: 1.6749970235316098
Energy: 1.6470379460350877
Energy: 1.6749970235220557
Energy: 1.6470379460008513
Energy: 1.5525329152368574
Energy: 1.389757671666475
Energy: 1.5525329151779395
Energy: 1.389757671666475
Energy: 1.552532915239246
Energy: 1.3897576716656788
Energy: 1.4141149661327213
Energy: 1.701952492864863
Energy: 1.4141149661335173
Energy: 1.70195249286964
Energy: 1.414114966131129
Energy: 1.7019524928632708
Energy: 1.735193606258359
Energy: 1.579580139370934
Energy: 1.735193606258359
Energy: 1.5795801393701379
Energy: 1.7351936062559703
Energy: 1.5795801393701379
Energy: 1.5598322187213798
Energy: 1.423211882432757
Energy: 1.5598322182661761
Energy: 1.423211882435146
Energy: 1.5598322188821379
Energy: 1.423211882435146
Energy: 1.4017457702382492
Energy: 1.9560763816020545
Energy: 1.4017457702382492
Energy: 1.9560763815972775
Energy: 1.4017457702382492
Energy: 1.9560763815901117
Energy: 1.9690975495813683
Energy: 1.4311534588881127
Energy: 1.9690975495813683
Energy: 1.4311534588968708
Energy: 1.9690975495813683
Energy: 1.4311534589064252
Energy: 1.9464527541372203
Energy: 1.5242107690860969
Energy: 1.9464527541340355
Energy: 1.5242107690694493
Energy: 1.9464527541340355
Energy: 1.5242107690694493
Energy: 1.3371471824647967
Energy: 1.9998990017951004
Energy: 1.3371471824592234
Energy: 1.999899001753771
Energy: 1.3371471824632042
Energy: 1.9998990018006735

minimum gb energy = 1.3095749848359517 eV
minimum distance =  2.27549736680912 Angstroms
sigma value = 33


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

Energy: 1.9218601688258665
Energy: 1.485233022966664
Energy: 1.9218601695442852
Energy: 1.4852330229646435
Energy: 1.9218601723437574
Energy: 1.485233022955552
Energy: 1.7056855085699103
Energy: 1.812802837626605
Energy: 1.7056855085699103
Energy: 1.8128028376271101
Energy: 1.7056855085694056
Energy: 1.8128028376250893
Energy: 1.657607539323191
Energy: 1.6982880746167521
Energy: 1.657607539322686
Energy: 1.698288074615237
Energy: 1.657607539323191
Energy: 1.6982880746066502
Energy: 1.9519854530630325
Energy: 1.4703779189323682
Energy: 1.9519854530625274
Energy: 1.4703779189308528
Energy: 1.9519854530635374
Energy: 1.4703779189308528
Energy: 1.6561305222836653
Energy: 1.9471580385932377
Energy: 1.6561305222770988
Energy: 1.947158034007591
Energy: 1.6561305222877056
Energy: 1.9471580283990495
Energy: 1.67486738296603
Energy: 1.835297698302888
Energy: 1.674867139345126
Energy: 1.8991085916877808
Energy: 1.6748673694154872
Energy: 1.827147024964371
Energy: 2.3043991506914074
Energy: 1.7766167399288113
Energy: 2.304399150696458
Energy: 1.7766167399272959
Energy: 2.304399150696458
Energy: 1.7766167399293162
Energy: 1.50002798004197
Energy: 1.8614584103660645
Energy: 1.5000279800424752
Energy: 1.8614584103655598
Energy: 1.50002798004197
Energy: 1.8614584103660645
Energy: 1.5665580312976912
Energy: 1.9623701647919458
Energy: 1.5665580312981964
Energy: 1.9623701647924512
Energy: 1.5665580312987013
Energy: 1.9623701647919458
Energy: 1.8543765019823555
Energy: 1.5362670095572437
Energy: 1.854376502905748
Energy: 1.5536431570828964
Energy: 1.8543765053639643
Energy: 1.5224209332047938
Energy: 1.6362978320227812
Energy: 1.874274410058761
Energy: 1.6362978320232868
Energy: 1.874274410059771
Energy: 1.6362978320222763
Energy: 1.874274410059266
Energy: 1.7383022447934149
Energy: 1.7710268113384648
Energy: 1.73830224479392
Energy: 1.7710268113384648
Energy: 1.7383022448004861
Energy: 1.7710268113384648
Energy: 1.8875549619355072
Energy: 1.5683253825145138
Energy: 1.8875549619365175
Energy: 1.568325395953478
Energy: 1.8875549619379868
Energy: 1.5683253820974947
Energy: 1.4747691139647339
Energy: 1.804061687804551
Energy: 1.4747691139521069
Energy: 1.8040616877954596
Energy: 1.474769113981356
Energy: 1.804061687804551
Energy: 1.8473253718297853
Energy: 1.7140959950140011
Energy: 1.84732537182827
Energy: 1.7140959950140011
Energy: 1.8473253718242293
Energy: 1.7140959950140011
Energy: 1.882057229990264
Energy: 1.5377682129316046
Energy: 1.882057229990264
Energy: 1.5377682129280688
Energy: 1.882057229990264
Energy: 1.5377682129300891
Energy: 1.646362529930678
Energy: 1.976001096074087
Energy: 1.6463625299311833
Energy: 1.976001096074087
Energy: 1.646362529930678
Energy: 1.9760010960745922
Energy: 1.9397729761552793
Energy: 1.5962574160448364
Energy: 1.9397729761552793
Energy: 1.596257416307895
Energy: 1.939772976154774
Energy: 1.596257416210459
Energy: 2.1733813441930674
Energy: 1.6669964969549051
Energy: 2.1733813441774097
Energy: 1.6669964969276305
Energy: 2.173381344149125
Energy: 1.6669964969523798
Energy: 1.697969398774131
Energy: 2.182242728942146
Energy: 1.6979693987731208
Energy: 2.1822427289416413
Energy: 1.697969398774131
Energy: 2.1822427289441664
Energy: 1.7493462450749042
Energy: 1.5067943588416082
Energy: 1.7493462450718738
Energy: 1.506794358835088
Energy: 1.7493462450733892
Energy: 1.5067943588360981
Energy: 1.918872503905098
Energy: 1.576543444377384
Energy: 1.9188725038949963
Energy: 1.576543444376879
Energy: 1.9188725039045929
Energy: 1.5765434443778892
Energy: 1.5196293821430966
Energy: 1.9597814426877085
Energy: 1.5196293821420865
Energy: 1.9597814426877085
Energy: 1.5196293821425917
Energy: 1.9597814426872036
Energy: 1.9687908565252517
Energy: 1.6730229372046066
Energy: 1.9687908565202008
Energy: 1.6730229372041017
Energy: 1.9687908565212109
Energy: 1.6730229372046066
Energy: 1.8049958509024373
Energy: 1.996347176489666
Energy: 1.804995850252665
Energy: 1.996347176489666
Energy: 1.8049958508994068
Energy: 1.9963471764906762
Energy: 1.3563979659430525
Energy: 1.7724009116434076
Energy: 1.3563979659435577
Energy: 1.7724009116434076
Energy: 1.3563979659430525
Energy: 1.7724009116434076
Energy: 1.773464683039133
Energy: 1.7203757891230451
Energy: 1.7734646830669127
Energy: 1.7203757891225397
Energy: 1.7734646829982208
Energy: 1.7203757891230451
Energy: 1.704898587688677
Energy: 1.7021511272465073
Energy: 1.7048985845363323
Energy: 1.702151127246002
Energy: 1.704898585359258
Energy: 1.7021511272449918
Energy: 1.6916619582520362
Energy: 2.0485121079090782
Energy: 1.6916619582515309
Energy: 2.0485121079206494
Energy: 1.6916619582510262
Energy: 2.048512107894431
Energy: 2.2805256385387187
Energy: 1.5268137810104083
Energy: 2.280525638537204
Energy: 1.5268137810073779
Energy: 2.2805256385407393
Energy: 1.5268137810149083
Energy: 1.8397926276530097
Energy: 1.6031543376080029
Energy: 1.8397926276530097
Energy: 1.603154337609013
Energy: 1.8397926276525047
Energy: 1.6031543376080029
Energy: 1.4399898364395463
Energy: 1.93877642075522
Energy: 1.4399898364400514
Energy: 1.938776420766837
Energy: 1.4399898364400514
Energy: 1.9387764207516842
Energy: 1.9337928272050686
Energy: 1.557536609504563
Energy: 1.9337928272050686
Energy: 1.5575366095030478
Energy: 1.9337928272045637
Energy: 1.5575366095025427
Energy: 1.8160677114064947
Energy: 1.591403622436261
Energy: 1.8160677114029593
Energy: 1.5914036224332304
Energy: 1.8160677114059898
Energy: 1.5914036224509085
Energy: 1.5032441062473836
Energy: 1.5776098172544688
Energy: 1.5032441062478885
Energy: 1.5776098172544688
Energy: 1.5032441062473836
Energy: 1.5776098172524482
Energy: 1.9708016315667196
Energy: 1.4866745995794932
Energy: 1.9708016322982707
Energy: 1.486674599576463
Energy: 1.970801631584398
Energy: 1.4866745995784831
Energy: 1.7102813661657754
Energy: 1.8208026465688745
Energy: 1.7102813661657754
Energy: 1.8208026489028395
Energy: 1.7102813661683007
Energy: 1.8208026438547158

minimum gb energy = 1.3563979659430525 eV
minimum distance =  2.25614480213944 Angstroms
sigma value = 41


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

Energy: 2.018304842535526
Energy: 1.5075208903433048
Energy: 2.0183048425741386
Energy: 1.5075208903433048
Energy: 2.018304842517598
Energy: 1.5075208903433048
Energy: 2.1045205641536757
Energy: 1.8941761445239942
Energy: 2.104520564152297
Energy: 1.894176144508825
Energy: 2.104520564152297
Energy: 1.8941761445267524
Energy: 1.8608007304103689
Energy: 1.813970578488232
Energy: 1.9119934963939835
Energy: 1.813970578488232
Energy: 1.80344698414401
Energy: 1.813970578486853
Energy: 2.452320871291304
Energy: 2.0532374428055604
Energy: 2.4523208712899245
Energy: 2.053237442804181
Energy: 2.452320871291304
Energy: 2.0532374428055604
Energy: 1.7184931417580585
Energy: 2.2982341014338403
Energy: 1.7184931417594371
Energy: 2.2982341014338403
Energy: 1.7184931417594371
Energy: 2.298234101436598
Energy: 1.7006758373989506
Energy: 1.9823750830181468
Energy: 1.700675914574468
Energy: 1.9823750830181468
Energy: 1.7006758351810747
Energy: 1.9823750830181468
Energy: 2.2645783150158163
Energy: 1.9496626725995667
Energy: 2.2645783150158163
Energy: 1.9496626725995667
Energy: 2.264578315017195
Energy: 1.9496626725995667
Energy: 1.7633479299430104
Energy: 1.7919808201685299
Energy: 1.7633479298823953
Energy: 1.7919808201671512
Energy: 1.7633479299540429
Energy: 1.7919808201685299
Energy: 1.8179659519851596
Energy: 1.8500552379166444
Energy: 1.8179659519837807
Energy: 1.8500552379235393
Energy: 1.8179659519824016
Energy: 1.8500552379221602
Energy: 2.2187156639174987
Energy: 1.6235944075814237
Energy: 2.2187156639174987
Energy: 1.6235944075814237
Energy: 2.2187156639174987
Energy: 1.6235944075814237
Energy: 1.6899903104112102
Energy: 1.8903922290128845
Energy: 1.6899903104112102
Energy: 1.890392229014264
Energy: 1.6899903104112102
Energy: 1.890392229014264
Energy: 2.250327066477961
Energy: 1.7635652382322515
Energy: 2.250327066477961
Energy: 1.7635652382308729
Energy: 2.250327066476582
Energy: 1.7635652382308729
Energy: 2.1687356067768526
Energy: 1.7391953458552092
Energy: 2.1687356067768526
Energy: 1.7391953458552092
Energy: 2.1687356067768526
Energy: 1.7391953458552092
Energy: 2.1800112941523384
Energy: 2.2446428557923457
Energy: 2.180011294157855
Energy: 2.2446428557937246
Energy: 2.180011294155097
Energy: 2.2446428557923457

minimum gb energy = 1.5075208903433048 eV
minimum distance =  2.26334671040155 Angstroms
sigma value = 11


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

Energy: 2.105408215568001
Energy: 1.5899133162735524
Energy: 2.1054082155800895
Energy: 1.5899133162765813
Energy: 2.1054082155686067
Energy: 1.5899133162765813
Energy: 2.24076077769067
Energy: 2.273760637369395
Energy: 2.240760777690064
Energy: 2.273760637366971
Energy: 2.24076077769067
Energy: 2.2737606373645485
Energy: 1.998624546142816
Energy: 1.9196113200067493
Energy: 1.9986245461434222
Energy: 1.9196113200085667
Energy: 1.9986245461434222
Energy: 1.919611320004326
Energy: 2.2538488750443384
Energy: 1.8494646646592035
Energy: 2.2538488750443384
Energy: 1.8494646646658675
Energy: 2.2538488750443384
Energy: 1.8494646646664732
Energy: 1.8097737227493955
Energy: 2.142955872870706
Energy: 1.8097737227487898
Energy: 2.142955872870706
Energy: 1.8097737227506072
Energy: 2.1429558728701004
Energy: 1.948648876646309
Energy: 2.279540822068253
Energy: 1.9486488766457033
Energy: 2.279540822068253
Energy: 1.948648876646309
Energy: 2.279540822068859
Energy: 2.1928128735608494
Energy: 1.645173493010673
Energy: 2.1928128735608494
Energy: 1.6451734930100674
Energy: 2.1928128735608494
Energy: 1.6451734930094613
Energy: 2.14025533935464
Energy: 2.158813742248004
Energy: 2.1402553393540344
Energy: 2.158813742249215
Energy: 2.1402553393540344
Energy: 2.1588137422455804
Energy: 2.269312756053276
Energy: 2.1079077547689593
Energy: 2.269312756035707
Energy: 2.1079077547689593
Energy: 2.269312756021801
Energy: 2.1079077547689593
Energy: 2.1388348411238605
Energy: 1.8505570727340457
Energy: 2.1388348411238605
Energy: 1.85055707273344
Energy: 2.138834841128707
Energy: 1.8505570727340457
Energy: 1.6818145974925116
Energy: 2.363901090374152
Energy: 1.6818145974386218
Energy: 2.363901090374152
Energy: 1.681814597531256
Energy: 2.3639010903729405
Energy: 1.891214192701891
Energy: 2.168181113258668
Energy: 1.891214192701891
Energy: 2.168181113259274
Energy: 1.891214192701891
Energy: 2.168181113259274
Energy: 2.047378746077343
Energy: 1.8461977179740776
Energy: 2.047378746099125
Energy: 1.8461977178148323
Energy: 2.047378746090065
Energy: 1.8461977179777127
Energy: 1.9086227018637063
Energy: 1.9884829069984526
Energy: 1.9086227018637063
Energy: 1.9884829069984526
Energy: 1.9086227018643125
Energy: 1.9884829069984526
Energy: 2.236287523516471
Energy: 2.142968677913828
Energy: 2.2942589702666183
Energy: 2.142968677917463
Energy: 2.176703673882468
Energy: 2.1429686779217034
Energy: 2.1304732993304145
Energy: 1.6410904679539884
Energy: 2.1304732993310203
Energy: 1.6410904679636815
Energy: 2.1304732993304145
Energy: 1.641090467964287
Energy: 2.1070715187143256
Energy: 2.1642596871858437
Energy: 2.1070715187137194
Energy: 2.1642596871858437
Energy: 2.107071518715537
Energy: 2.1642596871858437
Energy: 1.9652340928826517
Energy: 1.9447631534458125
Energy: 1.9652340928832575
Energy: 1.9447631534464187
Energy: 1.9652340928826517
Energy: 1.9447631534458125
Energy: 2.297765799544268
Energy: 1.874860800580137
Energy: 2.297765799544874
Energy: 1.8748608005831662
Energy: 2.297765799544268
Energy: 1.8748608005686267
Energy: 1.7805409109319685
Energy: 2.100848620943082
Energy: 1.7805409109319685
Energy: 2.100848620943082
Energy: 1.7805409109319685
Energy: 2.1008486209424757
Energy: 2.1667212630434456
Energy: 2.175658145072993
Energy: 2.1667212630470805
Energy: 2.1756581450748107
Energy: 2.1667212630416284
Energy: 2.175658145071176
Energy: 2.145447671501654
Energy: 1.8898915207840552
Energy: 2.1454476715379753
Energy: 1.8898915207840552
Energy: 2.145447671513164
Energy: 1.8898915207840552
Energy: 1.9330958785108123
Energy: 1.894129065995305
Energy: 1.9330958784030334
Energy: 1.8941290659916703
Energy: 1.9330958785059658
Energy: 1.8941290659946992
Energy: 2.408092484005547
Energy: 1.9169199126503427
Energy: 2.408092484005547
Energy: 1.916919912649737
Energy: 2.4080924840049414
Energy: 1.916919912649737
Energy: 2.3179767367906603
Energy: 1.7459023673992151
Energy: 2.3179767367882373
Energy: 1.7459023674004266
Energy: 2.3179767367906603
Energy: 1.7459023673998206
Energy: 1.7366358011135412
Energy: 2.239703814249484
Energy: 1.7366358011111178
Energy: 2.239703814249484
Energy: 1.7366358011123295
Energy: 2.239703814249484
Energy: 2.112685216149572
Energy: 2.181888439127236
Energy: 2.1126852161574474
Energy: 2.1818884391266304
Energy: 2.112685216148966
Energy: 2.181888439127236
Energy: 2.1527360821092483
Energy: 2.210233377456508
Energy: 2.152736082108642
Energy: 2.210233377456508
Energy: 2.152736082108642
Energy: 2.210233377456508
Energy: 1.7199770185107282
Energy: 2.07864234996537
Energy: 1.7199770185107282
Energy: 2.078642349964764
Energy: 1.7199770185107282
Energy: 2.078642349964764
Energy: 2.2550546715093227
Energy: 2.0298813515472176
Energy: 2.255054671056369
Energy: 2.0298813515478233
Energy: 2.2550546711357025
Energy: 2.0298813515490353
Energy: 2.2288988358409014
Energy: 1.8732348348727286
Energy: 2.2288988358409014
Energy: 1.8732348348721228
Energy: 2.228898835842113
Energy: 1.8732348348721228

minimum gb energy = 1.5899133162735524 eV
minimum distance =  2.2855187969805 Angstroms
sigma value = 57


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

Energy: 2.0802499983982736
Energy: 2.1712864841024393
Energy: 2.0802499983982736
Energy: 2.171286484103517
Energy: 2.0802499983982736
Energy: 2.171286484103517
Energy: 1.8607855427207958
Energy: 2.0783086212818276
Energy: 1.8607855427207958
Energy: 2.0783086211816184
Energy: 1.8607855427207958
Energy: 2.0783086213788518
Energy: 1.9433818200947017
Energy: 1.8823177628520054
Energy: 1.9433818200979354
Energy: 1.882317762868176
Energy: 1.9433818200936237
Energy: 1.8823177628735663
Energy: 2.101800370001755
Energy: 1.8996983725778087
Energy: 2.101800370000677
Energy: 2.2988464809296807
Energy: 2.101800370000677
Energy: 2.125718802815035
Energy: 1.554763578930637
Energy: 1.879419206388185
Energy: 1.5547635689653199
Energy: 1.879419206388185
Energy: 1.5547635750848035
Energy: 1.879419206388185
Energy: 1.838433244616527
Energy: 2.0841209147607294
Energy: 1.8384332446176053
Energy: 2.1943339485618116
Energy: 1.838433244616527
Energy: 2.122947708939961
Energy: 2.0802499983982736
Energy: 2.171286484103517
Energy: 2.0802499983982736
Energy: 2.1712864841024393
Energy: 2.0802499983982736
Energy: 2.1712864841024393
Energy: 1.8607855427197175
Energy: 2.0783086207592203
Energy: 1.8607855427207958
Energy: 2.078308620861585
Energy: 1.8607855427207958
Energy: 2.0783086207419714
Energy: 1.9433818201000916
Energy: 1.8823177628034933
Energy: 1.9433818201022477
Energy: 1.8823177627410155
Energy: 1.9433818200990136
Energy: 1.8823177627970251
Energy: 2.1018003699995993
Energy: 1.9376814537690679
Energy: 2.101800370000677
Energy: 2.2015091940464213
Energy: 2.1018003699995993
Energy: 2.1257195559047775
Energy: 1.5547635937504476
Energy: 1.8794192063860287
Energy: 1.5547635916696705
Energy: 1.8794192063871067
Energy: 1.5547635956426646
Energy: 1.8794192063849506
Energy: 1.8384332446176053
Energy: 2.0841209141874533
Energy: 1.8384332446176053
Energy: 2.0841209160117535
Energy: 1.8384332446176053
Energy: 2.084120914664783
Energy: 2.0802499983982736
Energy: 2.1712864841024393
Energy: 2.0802499983982736
Energy: 2.1712864841024393
Energy: 2.0802499983982736
Energy: 2.1712864841024393
Energy: 1.8607855427207958
Energy: 2.078308621337886
Energy: 1.8607855427207958
Energy: 2.078308621233364
Energy: 1.8607855427207958
Energy: 2.078308621454266
Energy: 1.9433818201000916
Energy: 1.8823177626666303
Energy: 1.9433818201044037
Energy: 1.8823177627151424
Energy: 1.9433818201044037
Energy: 1.882317762684957
Energy: 2.101800370000677
Energy: 2.007770249455786
Energy: 2.101800370000677
Energy: 2.2367247658263834
Energy: 2.101800370000677
Energy: 2.125721267145464
Energy: 1.554763581145043
Energy: 1.879419206388185
Energy: 1.5547635843928551
Energy: 1.879419206390341
Energy: 1.5547635860598583
Energy: 1.8794192063871067

minimum gb energy = 1.5547635689653199 eV
minimum distance =  2.32978548042017 Angstroms
sigma value = 9


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

Energy: 1.9754313496194997
Energy: 1.5544733942919222
Energy: 1.9754313496194997
Energy: 1.5544733942901618
Energy: 1.9754313496203801
Energy: 1.554473394291042
Energy: 2.107951733965144
Energy: 2.3629274613644706
Energy: 2.1079517339669045
Energy: 2.362927461235118
Energy: 2.107951733965144
Energy: 2.3629274613319025
Energy: 1.952506698942775
Energy: 2.151502258926879
Energy: 1.8586709378607065
Energy: 2.1515022589251185
Energy: 2.0788496441083595
Energy: 2.1515022589251185
Energy: 1.9972345641763793
Energy: 1.91156654878306
Energy: 1.9972345641781395
Energy: 1.9115665487672158
Energy: 1.9972345641746188
Energy: 1.9115665487848201
Energy: 2.154834438168835
Energy: 2.1505784465602744
Energy: 2.1548344381529914
Energy: 2.1505784465602744
Energy: 2.154834438167955
Energy: 2.1505784465602744
Energy: 2.210269025836163
Energy: 2.0009196757651013
Energy: 2.2102690258379236
Energy: 2.0009196757642207
Energy: 2.210269025837043
Energy: 2.0009196757695022
Energy: 1.9217357130817696
Energy: 1.768259444289598
Energy: 1.9217357130878912
Energy: 1.7682594442878377
Energy: 1.92173571308265
Energy: 1.7682594442869575
Energy: 2.368020890989771
Energy: 2.3507782712470617
Energy: 2.3680208909888902
Energy: 2.350778271246182
Energy: 2.368020890989771
Energy: 2.350778271246182
Energy: 2.0285038522858185
Energy: 2.4045220326375856
Energy: 2.028503852278776
Energy: 2.4045220326657124
Energy: 2.0285038522849383
Energy: 2.404522032610298
Energy: 1.8974264334792894
Energy: 1.759870264594143
Energy: 1.8974264334792894
Energy: 1.759870264594143
Energy: 1.897426433475769
Energy: 1.759870264594143
Energy: 2.374548530754709
Energy: 2.2304961356918027
Energy: 2.374548530753829
Energy: 2.2304961356891617
Energy: 2.3745485307520684
Energy: 2.230496135690922
Energy: 1.6422339073458665
Energy: 1.9259557704288184
Energy: 1.642233907344106
Energy: 1.9259557704437422
Energy: 1.6422339073458665
Energy: 1.9259557704270578
Energy: 2.326461177834148
Energy: 1.9948965428349166
Energy: 2.326461177834148
Energy: 1.9948965428419583
Energy: 2.326461177839429
Energy: 1.9948965428349166
Energy: 2.0354395426315928
Energy: 2.0860798341594973
Energy: 2.0354395426368743
Energy: 2.0860798341603775
Energy: 2.0354395426474365
Energy: 2.0860798341594973
Energy: 1.7702042424564222
Energy: 2.077886377690792
Energy: 1.770204242444099
Energy: 2.077886377690792
Energy: 1.842259485293946
Energy: 2.0778863776916725
Energy: 1.8442062096331542
Energy: 2.0705242674745743
Energy: 1.8442062096340344
Energy: 2.070524267473694
Energy: 1.8442062096340344
Energy: 2.0705242674745743
Energy: 2.369355563425296
Energy: 1.985682144889625
Energy: 2.3693555634244152
Energy: 1.9856821448552961
Energy: 2.369355563425296
Energy: 1.9856821448887443
Energy: 1.7404280194193213
Energy: 2.0878446798022416
Energy: 1.7404280194184407
Energy: 2.087844679801361
Energy: 1.7404280194193213
Energy: 2.0878446798022416
Energy: 2.130488625679257
Energy: 1.8847056200289296
Energy: 2.130488625679257
Energy: 1.8847056200289296
Energy: 2.130488625680137
Energy: 1.8847056200773418
Energy: 2.3239786053732
Energy: 2.2233105567068376
Energy: 2.3239786053784814
Energy: 2.223310556707718
Energy: 2.323978605401367
Energy: 2.2233105567068376
Energy: 1.5803396743271791
Energy: 2.300189249875133
Energy: 1.5803396743245386
Energy: 2.300189249875133
Energy: 1.5803396743280593
Energy: 2.300189249875133

minimum gb energy = 1.5544733942901618 eV
minimum distance =  2.32183030081287 Angstroms
sigma value = 27


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

Energy: 1.6713757626808097
Energy: 2.004396191761008
Energy: 1.592348392603994
Energy: 2.004396191761008
Energy: 1.6713757627356816
Energy: 2.004396191760266
Energy: 2.005407059733886
Energy: 2.060821523999825
Energy: 2.0054071620169465
Energy: 2.060821523999825
Energy: 2.005407135619264
Energy: 2.0608215239990835
Energy: 1.7435877371938715
Energy: 2.0378758217920283
Energy: 1.7435877371938715
Energy: 2.037875821802382
Energy: 1.7435877371938715
Energy: 2.0378758218127695
Energy: 2.540782143438676
Energy: 2.345360441221872
Energy: 2.540782143438676
Energy: 2.34536044122113
Energy: 2.540782143438676
Energy: 2.34536044122113
Energy: 1.904290718990084
Energy: 2.226952044370921
Energy: 1.904290718990084
Energy: 2.2269520443865023
Energy: 1.904290718990084
Energy: 2.226952044362018
Energy: 1.994498551884992
Energy: 1.880090900510464
Energy: 1.994498551884992
Energy: 1.8800882974986628
Energy: 1.9944985518842497
Energy: 1.8800908446454652
Energy: 1.897244949924187
Energy: 2.1447141456128045
Energy: 1.8972449499123492
Energy: 2.144714145612063
Energy: 1.8972449499234452
Energy: 2.1447141456128045
Energy: 1.9034144919968
Energy: 1.7669756874378248
Energy: 1.9034144919300569
Energy: 1.7669756873110165
Energy: 1.9034144920249942
Energy: 1.7669756874296974
Energy: 1.909792210228109
Energy: 2.1574547524075225
Energy: 1.909736478926926
Energy: 2.1574547524082646
Energy: 1.909792210228851
Energy: 2.157454752406781
Energy: 2.4099883344841198
Energy: 2.1066245981978375
Energy: 2.3846742273985737
Energy: 2.1066245979397356
Energy: 2.409988334498217
Energy: 2.106624598070254
Energy: 2.5774532939733574
Energy: 2.098956637763481
Energy: 2.5477090369899735
Energy: 2.098956637763481
Energy: 2.5774532939740995
Energy: 2.098956637763481
Energy: 1.5614967501372257
Energy: 1.9965407807089837
Energy: 1.5614967499028667
Energy: 1.9965407807104674
Energy: 1.5614967501216444
Energy: 1.9965407807097255
Energy: 1.7369600523585773
Energy: 2.2806603797391984
Energy: 1.7369600523585773
Energy: 2.280660379218543
Energy: 1.7369600523585773
Energy: 2.2806603794128693
Energy: 1.635750035204467
Energy: 1.9346511270804385
Energy: 1.6357500344820992
Energy: 1.9346511270811808
Energy: 1.6357500351584995
Energy: 1.9346511270804385
Energy: 1.984636591754145
Energy: 2.2879111656642417
Energy: 2.0093740843196684
Energy: 2.2879111656672095
Energy: 1.984636591755629
Energy: 2.2879111656649833
Energy: 1.8077320238927204
Energy: 2.21345165800257
Energy: 1.8077320238919787
Energy: 2.21345165800257
Energy: 1.8077320238912364
Energy: 2.21345165800257
Energy: 2.226777519872489
Energy: 1.8331308688957288
Energy: 2.226777519872489
Energy: 1.833130868973601
Energy: 2.2267775198732305
Energy: 1.8331308688838572
Energy: 2.141665998603813
Energy: 1.960108917859896
Energy: 2.141665998752914
Energy: 1.9601089178591538
Energy: 2.14166599887898
Energy: 1.9601089178591538
Energy: 1.8332436531596472
Energy: 1.86887874032913
Energy: 1.9800417854341807
Energy: 1.86887874032913
Energy: 1.8332436535000733
Energy: 1.8688787403298721
Energy: 1.6713757740552324
Energy: 2.0043961917506543
Energy: 1.5923483937579483
Energy: 2.0043961917016846
Energy: 1.6713757740886204
Energy: 2.004396191796622
Energy: 2.005407038950332
Energy: 2.060821523998341
Energy: 2.0054070335431105
Energy: 2.060821523998341
Energy: 2.0054070712299237
Energy: 2.060821523998341
Energy: 1.7435877371946131
Energy: 2.037875819780702
Energy: 1.7435877371946131
Energy: 2.0378758197992513
Energy: 1.7435877371938715
Energy: 2.0378758197970255
Energy: 2.540782143438676
Energy: 2.345360441221872
Energy: 2.540782143439418
Energy: 2.34536044122113
Energy: 2.540782143438676
Energy: 2.34536044122113
Energy: 1.904290718990084
Energy: 2.226952043645619
Energy: 1.904290718990084
Energy: 2.2269520436678443
Energy: 1.904290718990084
Energy: 2.226952043647103
Energy: 1.994498551884992
Energy: 1.8800922807707767
Energy: 1.994498551884992
Energy: 1.8800897425399035
Energy: 1.994498551884992
Energy: 1.8800923821424025

minimum gb energy = 1.5614967499028667 eV
minimum distance =  2.29602194798881 Angstroms
sigma value = 19


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

Energy: 1.4361944637169268
Energy: 1.8190549308883697
Energy: 1.4361944637194886
Energy: 1.8190549308890105
Energy: 1.4361944637169268
Energy: 1.8190549308883697
Energy: 2.066389536811641
Energy: 2.13212841254278
Energy: 2.0663895368231695
Energy: 2.1321284125600726
Energy: 2.0663895368174052
Energy: 2.1321284125402187
Energy: 1.9826033911683918
Energy: 1.831705119760575
Energy: 2.0426037127979155
Energy: 1.8317051197592942
Energy: 2.0334264720153454
Energy: 1.831705119760575
Energy: 1.4615900148519034
Energy: 1.6040607013852064
Energy: 1.4615900148397638
Energy: 1.6040607013852064
Energy: 1.4615900148512628
Energy: 1.6040607013864583
Energy: 2.2369054698710498
Energy: 2.1196636208149315
Energy: 2.2369054698640043
Energy: 2.1196636208162123
Energy: 2.2369054698710498
Energy: 2.119663620810448
Energy: 1.5385977980195886
Energy: 1.5215241114777405
Energy: 1.5385977980221506
Energy: 1.5215241114777405
Energy: 1.5385977980208696
Energy: 1.521524111478381
Energy: 2.21175312394765
Energy: 2.2264528393515164
Energy: 2.2117531239470094
Energy: 2.2264528393521568
Energy: 2.2117531239470094
Energy: 2.226452839346393
Energy: 2.1155560040904944
Energy: 2.1077250833796666
Energy: 2.115556004033523
Energy: 2.1077250833815877
Energy: 2.115556004021995
Energy: 2.1077250833796666
Energy: 1.4932375767394184
Energy: 1.3754849559505657
Energy: 1.4932375767381374
Energy: 1.3754849559403184
Energy: 1.4932375767381374
Energy: 1.3754849559390374
Energy: 2.1032649406851296
Energy: 2.1480481990822056
Energy: 2.103264940683849
Energy: 2.1480481990860487
Energy: 2.103264940684489
Energy: 2.148048199113588
Energy: 1.7445831567328234
Energy: 1.798141802511842
Energy: 1.7445831567334638
Energy: 1.7981418025130942
Energy: 1.7445831567334638
Energy: 1.798141802514375
Energy: 2.02203451183526
Energy: 1.633960351750372
Energy: 2.0220345114972456
Energy: 1.6339603517183783
Energy: 2.022034512105416
Energy: 1.6339603517465293
Energy: 2.26966307599968
Energy: 2.174702462845404
Energy: 2.2696630760009606
Energy: 2.1747024628447638
Energy: 2.26966307599968
Energy: 2.1747024628460445
Energy: 1.5788662818190042
Energy: 1.5301230181552063
Energy: 1.5788662818183636
Energy: 1.530123018154566
Energy: 1.5788662818164423
Energy: 1.5301230181552063
Energy: 2.192366496109708
Energy: 1.9575925124291516
Energy: 2.192366496109067
Energy: 1.9575925124534597
Energy: 2.192366496109708
Energy: 1.9575925124444933
Energy: 1.8129055902447775
Energy: 1.765904049681508
Energy: 1.8129055902499012
Energy: 1.7659040497000813
Energy: 1.8129055902447775
Energy: 1.7659040497071263
Energy: 1.6355206928650339
Energy: 1.8139539169014052
Energy: 1.6355206928631123
Energy: 1.8139539168898766
Energy: 1.6355206928663149
Energy: 1.8139539169039667
Energy: 2.1771515086883166
Energy: 2.2013088289465403
Energy: 2.1771515086883166
Energy: 2.201308828950383
Energy: 2.177151508688957
Energy: 2.2013088289491023
Energy: 1.7178645255681733
Energy: 1.6505400746165997
Energy: 1.7178645255681733
Energy: 1.6505400746754924
Energy: 1.7178645255681733
Energy: 1.650540074615319
Energy: 1.6519149384892196
Energy: 1.830514533109027
Energy: 1.6519149384892196
Energy: 1.830514533111589
Energy: 1.6519149384898604
Energy: 1.8305145331096677
Energy: 1.9630021218922882
Energy: 1.9774523146560403
Energy: 1.9630021218922882
Energy: 1.9774523147386298
Energy: 1.9630021218922882
Energy: 1.977452314865382
Energy: 1.7475466853115533
Energy: 1.5145071754127228
Energy: 1.7475466853275647
Energy: 1.5145071754050372
Energy: 1.747546685323722
Energy: 1.5145071754133634
Energy: 2.2114036904483583
Energy: 2.294912101852952
Energy: 2.2114036904477175
Energy: 2.2949121018292558
Energy: 2.2114036904477175
Energy: 2.2949121018491097
Energy: 1.8006327499420622
Energy: 1.9070997672041365
Energy: 1.8006327498665178
Energy: 1.907099767204777
Energy: 1.8006327499382195
Energy: 1.9070997672041365
Energy: 1.7518364755847777
Energy: 1.666085938962156
Energy: 1.7518364755828564
Energy: 1.6660859389602347
Energy: 1.7518364755841374
Energy: 1.666085938962156
Energy: 2.3321545523273204
Energy: 2.15567180632859
Energy: 2.33215455232668
Energy: 2.1556718063298708
Energy: 2.3321545523273204
Energy: 2.155671806315781
Energy: 1.6878591725512866
Energy: 1.5437843858189895
Energy: 1.6878591725512866
Energy: 1.543784385818349
Energy: 1.6878591725512866
Energy: 1.5437843858189895
Energy: 2.0290638610367404
Energy: 2.0306439440409583
Energy: 2.029063861039302
Energy: 2.030643944039677
Energy: 2.0290638610399427
Energy: 2.030643944039677
Energy: 2.0555057226014553
Energy: 1.8429950450279926
Energy: 2.055505722599534
Energy: 1.8429950450279926
Energy: 2.055505722600815
Energy: 1.8429950450267114

minimum gb energy = 1.3754849559390374 eV
minimum distance =  2.24895037947501 Angstroms
sigma value = 101


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

Energy: 1.3393947867423082
Energy: 1.5846164470200725
Energy: 1.339394786741745
Energy: 1.5846164470200725
Energy: 1.339394786741745
Energy: 1.5846164470206359
Energy: 2.1992201505548503
Energy: 2.0720244358954303
Energy: 2.1992201505548503
Energy: 2.2276289625823913
Energy: 2.1992201505548503
Energy: 2.0846427959420963
Energy: 1.802474929587361
Energy: 1.4222443158244258
Energy: 1.802474929587361
Energy: 1.4222443157833276
Energy: 1.802474929587361
Energy: 1.422244315812603
Energy: 1.7732126859823305
Energy: 1.9204788696249548
Energy: 1.7732126859823305
Energy: 2.008387251342302
Energy: 1.7732126859823305
Energy: 1.800411324122577
Energy: 1.8155990584357666
Energy: 2.021141619896765
Energy: 1.8155990584352033
Energy: 2.021141619900706
Energy: 1.8155990584357666
Energy: 2.0211416198978913
Energy: 1.4458402477455858
Energy: 1.3102150437610585
Energy: 1.4458402477467116
Energy: 1.3102150437616216
Energy: 1.4458402477461487
Energy: 1.3102150437616216
Energy: 1.9860853010006316
Energy: 2.126526715799049
Energy: 1.9860853009961275
Energy: 2.1265267159037147
Energy: 1.9860853010000683
Energy: 2.1265267154805496
Energy: 1.7715533860635149
Energy: 2.157016180734253
Energy: 1.7715533860652037
Energy: 2.248200124682918
Energy: 1.7715533860668926
Energy: 2.2273693632171767
Energy: 1.464597869149385
Energy: 1.406719645073211
Energy: 1.464597869149385
Energy: 1.406719645072648
Energy: 1.464597869149385
Energy: 1.4067196450720851
Energy: 1.977763519902283
Energy: 2.0811086613172876
Energy: 1.9777635199067871
Energy: 2.229316172367923
Energy: 1.9777635199241885
Energy: 2.146338826529458
Energy: 1.351056981965616
Energy: 1.7247883911951554
Energy: 1.351056982030923
Energy: 1.7247883911974076
Energy: 1.3510569819718088
Energy: 1.7247883911974076
Energy: 2.3468418604564305
Energy: 1.9144300318074208
Energy: 2.346841860281391
Energy: 2.101172453259335
Energy: 2.346841860436726
Energy: 1.9681783171639449
Energy: 1.6961246357415571
Energy: 1.6164888798135912
Energy: 1.6961246357409943
Energy: 1.6164888798135912
Energy: 1.6961246357415571
Energy: 1.6164888798135912
Energy: 1.561317687951129
Energy: 1.7545108494957984
Energy: 1.5613176882735695
Energy: 1.8311678464447012
Energy: 1.5613176882043727
Energy: 1.706470027841726
Energy: 2.144856452413303
Energy: 2.1090249127632488
Energy: 2.144856452413866
Energy: 2.109024912763812
Energy: 2.144856452413866
Energy: 2.109024912763812
Energy: 1.7326022520439641
Energy: 1.5201848136271388
Energy: 1.7326022520445274
Energy: 1.5201848136271388
Energy: 1.7326022520445274
Energy: 1.5201848136271388
Energy: 1.915123089308661
Energy: 2.046343341775542
Energy: 1.9151230893092237
Energy: 2.046343295918293
Energy: 1.915123089307535
Energy: 2.046343321044708
Energy: 1.7228304681912063
Energy: 1.956096612691645
Energy: 1.7228304681928954
Energy: 1.9560966126922077
Energy: 1.7228304681923323
Energy: 1.9560966126910817
Energy: 1.5780295888976008
Energy: 1.5421350990417628
Energy: 1.5780295888981641
Energy: 1.5421350986512001
Energy: 1.5780295888976008
Energy: 1.5421350993563216
Energy: 1.9563887454734188
Energy: 2.3397094969161616
Energy: 1.9563887456107374
Energy: 2.3397094969161616
Energy: 1.9563887455989146
Energy: 2.339709496915599
Energy: 1.5101750843565005
Energy: 1.9771180220611346
Energy: 1.5101750843553745
Energy: 1.9771180220616977
Energy: 1.5101750843576267
Energy: 1.977118022056631
Energy: 2.0778262262744818
Energy: 1.8708087530622584
Energy: 2.0778262262739187
Energy: 1.8708087530633846
Energy: 2.0778262262744818
Energy: 1.8708087530616955
Energy: 1.844527391217687
Energy: 1.952275848646933
Energy: 1.8445273912171238
Energy: 1.952275848649185
Energy: 1.8445273912171238
Energy: 1.9522758486474958
Energy: 1.3160849491837592
Energy: 1.5930572771570135
Energy: 1.3160849491843223
Energy: 1.593057277068112
Energy: 1.3160849491837592
Energy: 1.5930572771485685
Energy: 2.3837994853354814
Energy: 2.204580265892526
Energy: 2.3837994853337925
Energy: 2.204580265892526
Energy: 2.3837994853349183
Energy: 2.204580265892526
Energy: 1.6241146244161417
Energy: 1.6825434492956002
Energy: 1.6241146244161417
Energy: 1.6825434492956002
Energy: 1.6241146244155786
Energy: 1.6825434492961635
Energy: 1.8403767006134872
Energy: 2.0190709502558772
Energy: 1.8403767006151763
Energy: 2.0190709498895227
Energy: 1.840376700615739
Energy: 2.0190709502502466
Energy: 1.9864065460208626
Energy: 2.045285072371803
Energy: 1.9864065460219886
Energy: 2.0452850723723657
Energy: 1.9864065460214257
Energy: 2.0452850723751808
Energy: 1.600833243922514
Energy: 1.5088672442757638
Energy: 1.600833243923077
Energy: 1.5088672443928148
Energy: 1.600833243921951
Energy: 1.5088672444052007
Energy: 2.119595828460993
Energy: 2.3671736472731975
Energy: 2.119595828460993
Energy: 2.3671736472917253
Energy: 2.119595828459867
Energy: 2.3671736472501146
Energy: 1.5949562160580242
Energy: 1.7996107871880491
Energy: 1.5949562160580242
Energy: 1.799610787187486
Energy: 1.5949562160580242
Energy: 1.79961078718636
Energy: 1.6713201500496933
Energy: 1.7794347945752376
Energy: 1.6713201500485673
Energy: 1.7794347945819935
Energy: 1.6713201500480044
Energy: 1.7794347945741116
Energy: 2.1446603750777378
Energy: 1.879066529546986
Energy: 2.1446603750828044
Energy: 1.8790665300135008
Energy: 2.1446603750754862
Energy: 1.8790665296144935

minimum gb energy = 1.3102150437610585 eV
minimum distance =  2.28194356038403 Angstroms
sigma value = 33


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

Energy: 0.02053982107773966
Energy: 1.3641405104575064
Energy: 0.02053982107773966
Energy: 1.364140510457974
Energy: 0.02053982107773966
Energy: 1.364140510457974
Energy: 2.353597468677783
Energy: 2.197108163315194
Energy: 2.353597468678199
Energy: 2.197108163315194
Energy: 2.353597468678199
Energy: 2.1971081633147262
Energy: 1.6750333921005995
Energy: 0.43365850868732586
Energy: 2.1406942109583174
Energy: 0.43365850868732586
Energy: 3.6099220170401463
Energy: 0.4336585086868582
Energy: 2.353597468677783
Energy: 2.197108163315194
Energy: 2.353597468678199
Energy: 2.197108163315194
Energy: 2.353597468678199
Energy: 2.197108163315194

minimum gb energy = 0.02053982107773966 eV
minimum distance =  2.45914921942031 Angstroms
sigma value = 1