Model name: model_name=MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000003278256
cohesive_energy=4.450349977971173
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018156227913278818
Energy: 1.9782914538913499
Energy: 1.2512673334626074
Energy: 1.9782914538919745
Energy: 1.9782914538919745
Energy: 0.8599419967457597
Energy: 1.9782914538919745
Energy: 0.8599419967457597
Energy: 1.2512673491961483
Energy: 1.9782914538919745
Energy: 0.018156227913278818
Energy: 1.9782914538919745
Energy: 1.9782914538919745
Energy: 0.8599419967457597
Energy: 1.9782914538919745
Energy: 0.8599419967457597

minimum gb energy = 0.018156227913278818 eV
minimum distance =  2.42577477439188 Angstroms
sigma value = 1


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

Energy: 2.367490706973543
Energy: 2.529091653325598
Energy: 1.5608003788924962
Energy: 2.5290916533247954
Energy: 2.438975287258109
Energy: 1.8267223322660804
Energy: 2.196632825500322
Energy: 1.8267223322668826
Energy: 1.8366777701679833
Energy: 2.495588308364387
Energy: 2.247508054233557
Energy: 2.49558830836519
Energy: 2.040492964463308
Energy: 2.1849837823799074
Energy: 2.1430224772941715
Energy: 2.184983782375896
Energy: 2.1253975973683916
Energy: 2.2590017332410137
Energy: 2.3610294625684554
Energy: 2.2590017332402117
Energy: 2.2829727842487433
Energy: 2.399599434973761
Energy: 1.9407496281346244
Energy: 2.3995994349753658
Energy: 2.3825343840476885
Energy: 2.231612107164851
Energy: 2.5850299968482955
Energy: 2.231612107164851
Energy: 1.8606339212955083
Energy: 2.9903582711674663
Energy: 1.8042640958289766
Energy: 2.9903582711666634
Energy: 2.536356774765272
Energy: 2.1025522102874556
Energy: 2.3535276308148
Energy: 2.1025522102874556
Energy: 1.941337997886997
Energy: 2.4995858338884274
Energy: 1.8138290772803636
Energy: 2.4995858338876245
Energy: 2.2659622017093954
Energy: 2.045369086487124
Energy: 2.5855512674825767
Energy: 2.045369086487124
Energy: 1.7658597822685154
Energy: 2.477487617433456
Energy: 2.0657222075589736
Energy: 2.4774876174342575
Energy: 2.3586959697920515
Energy: 2.105258161546359
Energy: 2.2055518899808146
Energy: 2.105258161546359
Energy: 2.2408065799009993
Energy: 2.285550673006899
Energy: 2.0154011746183875
Energy: 2.285550673009306
Energy: 2.185659651014666
Energy: 2.120754611149368
Energy: 2.3366649840508806
Energy: 2.120754611149368
Energy: 2.2371136744359963
Energy: 2.0336243284257605
Energy: 2.357464915442826
Energy: 2.0336243284249584
Energy: 2.065419972475809
Energy: 2.427101886363512
Energy: 1.8311252913308163
Energy: 2.4271018863627094
Energy: 2.463496735280686
Energy: 1.8494816729726717
Energy: 2.242981082877888
Energy: 1.8494816729726717
Energy: 1.7452244782566533
Energy: 2.609788434716103
Energy: 1.989595409885882
Energy: 2.609788434716103
Energy: 2.386119140360717
Energy: 2.1762531633706854
Energy: 2.572190245161542
Energy: 2.1762531633698834
Energy: 1.9746102456468024
Energy: 2.3714704841804197
Energy: 1.8300183499919747
Energy: 2.3714704841804197
Energy: 2.5546313953665787
Energy: 2.2526087772198786
Energy: 2.279797257066489
Energy: 2.252608777220681
Energy: 2.228305111880757
Energy: 2.4228497315955813
Energy: 2.0748145058827596
Energy: 2.4228497312579624
Energy: 2.1820493287612757
Energy: 2.1461143180942344
Energy: 2.419493794742068
Energy: 2.1461143180950364
Energy: 2.3542002636544
Energy: 2.2565148269028237
Energy: 2.4710063106910813
Energy: 2.2565148268931967
Energy: 1.9435265696029709
Energy: 2.3657297395751278
Energy: 2.0973058050555338
Energy: 2.3657297395751278
Energy: 2.130864134381824
Energy: 1.9509854653460417
Energy: 2.3162612541570313
Energy: 1.9509854653460417
Energy: 1.8856151617719628
Energy: 2.454366586276203
Energy: 2.3562943169375705
Energy: 2.4543665862729944
Energy: 2.467673990995081
Energy: 1.718377234731756
Energy: 2.1428873718650365
Energy: 1.7183772347309536
Energy: 2.545566160321419
Energy: 2.46017681660236
Energy: 1.960696333632746
Energy: 2.460176816603163
Energy: 2.5397180407526454
Energy: 1.8246307372505128
Energy: 2.300555624988076
Energy: 1.8246307372489083
Energy: 2.2132299088341
Energy: 2.3046149720017084
Energy: 2.3241600909768234
Energy: 2.3046149720049174
Energy: 2.028820656721068
Energy: 2.2444224908321577
Energy: 2.1557455753124786
Energy: 2.2444224908305532

minimum gb energy = 1.5608003788924962 eV
minimum distance =  2.30571232269372 Angstroms
sigma value = 1


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

Energy: 2.2878678680487843
Energy: 2.563771493209895
Energy: 1.736807157621989
Energy: 2.5637714932089803
Energy: 2.336891474047999
Energy: 1.8640577956041187
Energy: 2.114707196777644
Energy: 1.8640577956059485
Energy: 2.0147691023897516
Energy: 2.473588523566727
Energy: 2.3107154236568532
Energy: 2.4735885232037362
Energy: 2.070628962640651
Energy: 2.217317408911461
Energy: 2.13390287720394
Energy: 2.217317408911461
Energy: 1.9351554833624873
Energy: 2.217996626686987
Energy: 2.2978259074416747
Energy: 2.2179966266860727
Energy: 2.011502382236198
Energy: 2.4217034568975535
Energy: 1.7969960529310858
Energy: 2.421703456896639
Energy: 2.471898868950309
Energy: 2.2627255321824764
Energy: 2.67886103882604
Energy: 2.262725532181562
Energy: 1.8131524032722202
Energy: 2.7213666650284587
Energy: 2.0866446976026736
Energy: 2.7213666650302883
Energy: 2.520535859606549
Energy: 2.2543371314350718
Energy: 2.2441832722140713
Energy: 2.2543371314350718
Energy: 1.906873602401
Energy: 2.4852140759020442
Energy: 1.8722402865644723
Energy: 2.485214075905703
Energy: 2.1174762151260738
Energy: 2.0517189818310513
Energy: 2.4716320315273563
Energy: 2.0517189818310513
Energy: 1.8427230172161584
Energy: 2.3170502847235723
Energy: 2.1034746660600514
Energy: 2.317050284722657
Energy: 2.3074084313151335
Energy: 2.010887724998086
Energy: 2.027208352792129
Energy: 2.010887724997171
Energy: 2.3138780669838117
Energy: 2.0313650566407175
Energy: 2.11976522466044
Energy: 2.0313650566416324
Energy: 1.8566728735832692
Energy: 2.3252657549995726
Energy: 2.029474897796215
Energy: 2.3252657549995726
Energy: 2.018905237570227
Energy: 2.0313565881840754
Energy: 2.633240679451615
Energy: 2.0313565881840754
Energy: 1.8626044994703181
Energy: 2.615332759270581
Energy: 1.8188769178780904
Energy: 2.6153327592724103
Energy: 2.4524327460563957
Energy: 2.2542132523194236
Energy: 2.244196047836948
Energy: 2.2542132523185088
Energy: 1.8032020436621785
Energy: 2.7239249266346386
Energy: 2.1144369603649165
Energy: 2.7239249266355534
Energy: 2.486842277410064
Energy: 2.261989310060774
Energy: 2.4474992711978403
Energy: 2.26198931005986
Energy: 2.027873033874707
Energy: 2.4255759567094253
Energy: 1.9142389860854796
Energy: 2.4255759567112554
Energy: 1.938169013247378
Energy: 2.2097637396557452
Energy: 2.1699982860188367
Energy: 2.2097637396557452
Energy: 2.0641634657740107
Energy: 2.1959916437173805
Energy: 2.106771236441672
Energy: 2.1959916437146365
Energy: 1.9774532289141742
Energy: 2.465451610064605
Energy: 2.2719653077283333
Energy: 2.465451610092047
Energy: 2.248856084113542
Energy: 1.8631769629505017
Energy: 2.114642025723688
Energy: 1.863176962949587
Energy: 2.287867868041508
Energy: 2.563771493209895
Energy: 1.7999695756132907
Energy: 2.563771493208066
Energy: 2.3368914740498283
Energy: 1.8640577956041187
Energy: 2.114707196778559
Energy: 1.8640577956041187
Energy: 2.014769102143766
Energy: 2.47358851615228
Energy: 2.21571768713556
Energy: 2.4735885163991798
Energy: 2.070628962636992
Energy: 2.217317408911461
Energy: 2.077552753170489
Energy: 2.2173174089105467

minimum gb energy = 1.736807157621989 eV
minimum distance =  2.28979300892131 Angstroms
sigma value = 25


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

Energy: 2.3918629740249497
Energy: 2.573035933978641
Energy: 1.838123069553717
Energy: 2.573035933978641
Energy: 2.4613618450357
Energy: 1.964017301705123
Energy: 2.112891894481704
Energy: 1.964017301705123
Energy: 2.2213449895769184
Energy: 2.585503756676285
Energy: 2.1540984515716834
Energy: 2.5855037566996795
Energy: 2.142762698820769
Energy: 2.3321540976494735
Energy: 2.2754273775742333
Energy: 2.3321540976494735
Energy: 2.5364133959730975
Energy: 2.396060904569188
Energy: 2.493593260251276
Energy: 2.3960609045681243
Energy: 2.213676549440658
Energy: 3.0889165763322097
Energy: 2.2674390341023734
Energy: 3.0889165763322097
Energy: 2.621525334997833
Energy: 2.422123317195412
Energy: 2.8114226444900234
Energy: 2.422123317197539
Energy: 2.0404185067663567
Energy: 2.5587469302074886
Energy: 2.209342503869605
Energy: 2.5587469302064254
Energy: 2.7871891310366412
Energy: 2.1211625527380673
Energy: 2.1883800812387504
Energy: 2.1211625527391313
Energy: 2.048039676837148
Energy: 2.5626378198477564
Energy: 2.0180699100827986
Energy: 2.5626378198477564
Energy: 2.0754293209097394
Energy: 2.0839315423948883
Energy: 2.321909345719418
Energy: 2.0839315423948883
Energy: 2.3270428342507126
Energy: 2.318190596434608
Energy: 2.292438818695219
Energy: 2.318190596434608
Energy: 2.2945558825684684
Energy: 2.468748285644069
Energy: 2.212301010579258
Energy: 2.4687482856376888
Energy: 2.6208402696275788
Energy: 2.4405604004500243
Energy: 2.131711281324987
Energy: 2.4405604004500243
Energy: 1.9371217681483943
Energy: 2.6259149958068364
Energy: 2.270830277928107
Energy: 2.62591499580471
Energy: 2.371113623980249
Energy: 2.4226101073076687
Energy: 2.73331311529011
Energy: 2.422610107308732
Energy: 2.114938090160535
Energy: 2.9704993006013516
Energy: 1.9547211249432508
Energy: 2.9704993006013516
Energy: 2.6814639414027126
Energy: 2.4282630928778866
Energy: 2.162635911286007
Energy: 2.4282630928757603
Energy: 1.9404206389722105
Energy: 2.484454911598289
Energy: 2.2761218393767333
Energy: 2.484454911598289
Energy: 1.9711090227008972
Energy: 2.731546649269441
Energy: 2.2577233950913658
Energy: 2.731546649269441
Energy: 2.3368582489116156
Energy: 2.039830381224393
Energy: 2.317536669370907
Energy: 2.039830381224393
Energy: 2.490465653942027
Energy: 2.5746016024372604
Energy: 1.9168676975730197
Energy: 2.5746016024372604
Energy: 2.4983729893845967
Energy: 1.9653008357130495
Energy: 2.1017365417084575
Energy: 1.9653008357130495
Energy: 2.182393538616861
Energy: 2.527758029311123
Energy: 2.0518222864117983
Energy: 2.52775802920696
Energy: 2.166421193618641
Energy: 2.234279606017513
Energy: 2.3131150986855618
Energy: 2.2342796060058157

minimum gb energy = 1.838123069553717 eV
minimum distance =  2.30760990055677 Angstroms
sigma value = 9


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

Energy: 2.3578642020961493
Energy: 2.4798704745372193
Energy: 2.0908962015834645
Energy: 2.4798704745384876
Energy: 2.6941886540169
Energy: 2.336773471254393
Energy: 2.128275758479078
Energy: 2.336773471254393
Energy: 2.1712212564633675
Energy: 2.264257969785515
Energy: 2.132413942528876
Energy: 2.2642579697842464
Energy: 2.561313239610188
Energy: 2.56717944707081
Energy: 2.416954645008717
Energy: 2.5671794470568563
Energy: 2.653185725146273
Energy: 2.3830632982927282
Energy: 2.276858079688495
Energy: 2.383063298295265
Energy: 2.3262749677841796
Energy: 2.948802031217625
Energy: 2.4403752801720464
Energy: 2.948802031217625
Energy: 2.1997919597194397
Energy: 2.4858269415845284
Energy: 3.0011827621210347
Energy: 2.4858269415845284
Energy: 2.249909658913425
Energy: 2.9008753502187767
Energy: 2.3081685469256237
Energy: 2.9008753502187767
Energy: 2.4894661283763786
Energy: 2.036410833603912
Energy: 2.627313954017117
Energy: 2.036410833602644
Energy: 2.358460571806175
Energy: 2.6295205894164067
Energy: 2.321025994725689
Energy: 2.6295205894164067
Energy: 2.2645805775171453
Energy: 2.2108244959794274
Energy: 2.140781259303472
Energy: 2.210824495980696
Energy: 2.1526917193072417
Energy: 2.546261727914109
Energy: 2.6201555252521973
Energy: 2.546261727915377
Energy: 2.181526492993272
Energy: 2.485561129897954
Energy: 1.9759489428470842
Energy: 2.485561129897954
Energy: 2.7266158303393073
Energy: 2.4898933970545793
Energy: 2.1532479805195646
Energy: 2.4898933970545793
Energy: 2.138894037324659
Energy: 2.434088240102772
Energy: 2.061910194055081
Energy: 2.434088240102772
Energy: 2.285695472963938
Energy: 2.6949813770166458
Energy: 2.61069077199209
Energy: 2.6949813770166458
Energy: 2.3766076410897834
Energy: 2.3640172907232815
Energy: 2.227786424949425
Energy: 2.3640172907245502
Energy: 2.7260016858134875
Energy: 2.8483748906154553
Energy: 2.2928348446613183
Energy: 2.8483748906154553
Energy: 2.379745609202958
Energy: 1.9666806994793722
Energy: 2.266157752976332
Energy: 1.9666806994793722
Energy: 2.26478298587953
Energy: 3.004276256521876
Energy: 2.3141195812966666
Energy: 3.0042762565231445
Energy: 2.058565934914797
Energy: 2.2180302714555973
Energy: 2.805967557302002
Energy: 2.2180302714568656

minimum gb energy = 1.9666806994793722 eV
minimum distance =  2.29666202312297 Angstroms
sigma value = 25


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

Energy: 2.360467100061909
Energy: 1.9546414867981663
Energy: 2.445335055668817
Energy: 1.9546414868075788
Energy: 2.8657432007728576
Energy: 2.4294635139594667
Energy: 1.9583370512425284
Energy: 2.4294635139594667
Energy: 2.526383990201312
Energy: 2.414369359802097
Energy: 2.158959312206422
Energy: 2.4143693597581715
Energy: 2.8551069018842776
Energy: 2.6040471680685786
Energy: 2.1977128125505185
Energy: 2.6040471680685786
Energy: 2.582800735456924
Energy: 2.620979238159533
Energy: 2.384549499738101
Energy: 2.620979238157964
Energy: 1.9889779391061875
Energy: 2.7791589483061436
Energy: 2.6184920107270466
Energy: 2.7791589483061436
Energy: 2.4115354538007963
Energy: 2.1053262832375985
Energy: 2.612663068315535
Energy: 2.1053262832375985
Energy: 2.2953960104387208
Energy: 2.265358795403805
Energy: 2.615036225431251
Energy: 2.265358795405374
Energy: 2.262684900081496
Energy: 2.438893953562592
Energy: 2.870054564074226
Energy: 2.438893953562592
Energy: 2.567249192914975
Energy: 2.1429129777714437
Energy: 2.180082718101449
Energy: 2.1429129777730123
Energy: 1.9075330689204735
Energy: 2.502790764773216
Energy: 2.377501802978767
Energy: 2.502790764773216
Energy: 2.2850069581056562
Energy: 2.7920267191959436
Energy: 2.554725120689225
Energy: 2.7920267191959436
Energy: 2.1904420041484793
Energy: 2.778754890090543
Energy: 2.1820626069613476
Energy: 2.778754890090543
Energy: 1.9966073631819248
Energy: 2.219139788565888
Energy: 2.6335006441112054
Energy: 2.219139788565888
Energy: 2.1976908392290855
Energy: 2.0399391155750646
Energy: 2.456086479563541
Energy: 2.0399391156127153
Energy: 2.355328495797255
Energy: 2.86164946727628
Energy: 2.184217922504907
Energy: 2.86164946727628
Energy: 2.171940686983737
Energy: 2.6517305669657683
Energy: 2.7416251744047777
Energy: 2.6517305669657683

minimum gb energy = 1.9075330689204735 eV
minimum distance =  2.31096661766807 Angstroms
sigma value = 17


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

Energy: 2.276178339256058
Energy: 2.411682606911016
Energy: 2.3682728759167397
Energy: 2.411682606911016
Energy: 2.944999063055052
Energy: 2.4347704829615346
Energy: 2.205305467945809
Energy: 2.4347704829615346
Energy: 2.4884263669301196
Energy: 2.3908172297875026
Energy: 2.2744552540027168
Energy: 2.3908172297883907
Energy: 2.481793136957999
Energy: 2.733202508224923
Energy: 2.0865041936901934
Energy: 2.733202508224923
Energy: 2.8098627800293468
Energy: 2.6721092726399727
Energy: 2.30423018777818
Energy: 2.672109272639084
Energy: 2.345181882728979
Energy: 2.606569383402389
Energy: 2.7460414665684705
Energy: 2.6065693834015002
Energy: 2.594953907657083
Energy: 2.3860588771367293
Energy: 2.3519038490919653
Energy: 2.386058877137618
Energy: 2.5515336639638555
Energy: 2.368058987514002
Energy: 2.464338034466798
Energy: 2.3680589875148903
Energy: 2.5109945003258254
Energy: 2.6547526566001776
Energy: 2.5083694911393404
Energy: 2.6547526566001776
Energy: 2.691550552596355
Energy: 2.967447714232398
Energy: 2.321527904615624
Energy: 2.9674477142306213
Energy: 2.1315007467063545
Energy: 2.626963772545143
Energy: 2.6707112865677627
Energy: 2.626963772545143
Energy: 2.5264570014071897
Energy: 2.325410056847681
Energy: 2.6054331742389434
Energy: 2.325410056847681
Energy: 2.680567128952761
Energy: 2.498718679256557
Energy: 2.263130506254192
Energy: 2.4987186792574456
Energy: 2.183081231966558
Energy: 2.7682967427672303
Energy: 2.6304009654790965
Energy: 2.768296742888024
Energy: 2.4830302174678573
Energy: 2.4445495762876237
Energy: 2.4783710787709703
Energy: 2.4445495763080585
Energy: 2.4446707644511965
Energy: 2.6143292457328773
Energy: 2.2539758818086586
Energy: 2.614329245733766
Energy: 2.2968376909128105
Energy: 2.571374851123355
Energy: 2.84770732549758
Energy: 2.571374851123355
Energy: 2.5037640445549068
Energy: 2.4991905264247456
Energy: 2.3373788459843823
Energy: 2.499190526423857
Energy: 2.171199667260658
Energy: 2.3522492731328373
Energy: 2.8410230141594623
Energy: 2.3522492731328373
Energy: 1.9926783161690356
Energy: 2.6806464493862134
Energy: 2.4862003656515
Energy: 2.680646449387062
Energy: 2.285327688333393
Energy: 2.4938154442430425
Energy: 2.2930952761802135
Energy: 2.4938154442430425
Energy: 2.4227927220875647
Energy: 2.7622210962386102
Energy: 3.0276833908140444
Energy: 2.762221096239498
Energy: 2.2612395036225745
Energy: 2.5411991584785865
Energy: 2.2305125684292055
Energy: 2.5411991584785865
Energy: 2.434890901617644
Energy: 2.294140629029059
Energy: 2.7606200984467595
Energy: 2.294140629029059
Energy: 2.3811124563612736
Energy: 2.404875806360967
Energy: 2.541336824055207
Energy: 2.4048758063618556
Energy: 2.2010223201852037
Energy: 2.6153984358660125
Energy: 2.2383595918450716
Energy: 2.615398435865124
Energy: 2.3981700350947586
Energy: 2.7567664602546005
Energy: 2.760538707250184
Energy: 2.7567664602546005
Energy: 2.1293507756776426
Energy: 2.6604958403055257
Energy: 2.2984492887114003
Energy: 2.6604958403055257
Energy: 2.7503179963027504
Energy: 2.698948237143884
Energy: 2.476219171962389
Energy: 2.698948237143884
Energy: 2.454985352308966
Energy: 2.235819841216516
Energy: 2.5844327043736217
Energy: 2.235819841216516

minimum gb energy = 1.9926783161690356 eV
minimum distance =  2.31402851674285 Angstroms
sigma value = 53


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

Energy: 2.202616177568658
Energy: 2.1203197266380522
Energy: 2.7862585235212864
Energy: 2.1203197266380522
Energy: 2.655238938142868
Energy: 2.2097057639521704
Energy: 2.3003365670581695
Energy: 2.2097057639521704
Energy: 2.633505532897705
Energy: 2.7883658813673824
Energy: 2.3047804720948526
Energy: 2.7883658813653374
Energy: 2.6293132154022576
Energy: 2.7819610161616954
Energy: 2.3626000437812955
Energy: 2.7819610161616954
Energy: 2.655457360091108
Energy: 2.1927241128701755
Energy: 2.119313746919283
Energy: 2.192724112876312
Energy: 2.202616177568658
Energy: 2.1203197266380522
Energy: 2.479274603374948
Energy: 2.1203197266400977
Energy: 2.655238938142868
Energy: 2.2097057639807605
Energy: 2.588873227280581
Energy: 2.2097057639807605
Energy: 2.633505532901796
Energy: 2.7883658813653374
Energy: 2.3047804720948526
Energy: 2.788365881363292
Energy: 2.6293131643725136
Energy: 2.781961016149423
Energy: 2.5724378974750404
Energy: 2.781961016149423
Energy: 2.655457360091108
Energy: 2.1927241135775764
Energy: 2.233951083873354
Energy: 2.192724113581667
Energy: 2.202616177568658
Energy: 2.1203197266380522
Energy: 2.876385429702577
Energy: 2.1203197266400977
Energy: 2.655238938142868
Energy: 2.2097057640053057
Energy: 2.5888732378549526
Energy: 2.2097057640032607
Energy: 2.6335055328997505
Energy: 2.7883658813653374
Energy: 2.3047804720948526
Energy: 2.788365881363292

minimum gb energy = 2.119313746919283 eV
minimum distance =  2.31470530956607 Angstroms
sigma value = 9


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

Energy: 2.530807544315981
Energy: 2.266498648544407
Energy: 2.854673894561126
Energy: 2.266498648544407
Energy: 2.8211481513912404
Energy: 2.602626099723857
Energy: 2.43639224111985
Energy: 2.602626099723857
Energy: 2.5527187490068415
Energy: 2.7826337685058102
Energy: 2.305564218498664
Energy: 2.7826337684793128
Energy: 2.688243188440481
Energy: 2.5558464802708043
Energy: 2.1648921284645626
Energy: 2.5558464802708043
Energy: 2.7577897220582437
Energy: 2.4027889721721327
Energy: 2.1428314221080056
Energy: 2.402788972171376
Energy: 2.127933616355019
Energy: 2.4066038606123183
Energy: 2.784871930557754
Energy: 2.4066038606115607
Energy: 2.8436434980060072
Energy: 2.7210044974256062
Energy: 2.462247520744234
Energy: 2.7210044974256062
Energy: 2.461838630361953
Energy: 2.56969970040686
Energy: 2.5569994220663297
Energy: 2.5696997004061033
Energy: 2.5669173008837594
Energy: 2.5271472422666053
Energy: 2.220328588152594
Energy: 2.5271472422666053
Energy: 2.62028338830435
Energy: 2.6210980223250826
Energy: 2.540507293831476
Energy: 2.62109802232584
Energy: 2.312090626689741
Energy: 2.621187574259759
Energy: 2.7478701918623005
Energy: 2.621187574259759
Energy: 2.583712097879237
Energy: 2.8524134321976224
Energy: 2.1758142982775954
Energy: 2.8524134321968657
Energy: 2.2459385630478943
Energy: 2.729959621049224
Energy: 2.6424236998840698
Energy: 2.729959621048467
Energy: 3.1184792818046145
Energy: 2.3849712603029998
Energy: 2.4334524300750946
Energy: 2.3849712603029998
Energy: 2.721000981460841
Energy: 2.7650518904261974
Energy: 2.5645796941007415
Energy: 2.7650518904254406
Energy: 2.114565489040323
Energy: 2.753804790688431
Energy: 2.569594736134915
Energy: 2.753804790689188
Energy: 2.699360706872968
Energy: 2.9818531423421084
Energy: 2.518320410782012
Energy: 2.9818531423436223
Energy: 2.2289637120397874
Energy: 2.3673733195099724
Energy: 3.042691963248407
Energy: 2.367373319512243
Energy: 2.6868668650235565
Energy: 2.4947575609181754
Energy: 2.2759681939142986
Energy: 2.4947575609189325
Energy: 2.1947054564227555
Energy: 2.771574089479151
Energy: 2.661477697547843
Energy: 2.771574089482936
Energy: 2.4999969260123374
Energy: 2.6084720514856006
Energy: 2.574104531549276
Energy: 2.608472051484844
Energy: 2.8240909149548963
Energy: 2.933859434398943
Energy: 2.5627655909742826
Energy: 2.9338594343997
Energy: 2.229998889022915
Energy: 2.4055195628177377
Energy: 2.7639153035882944
Energy: 2.405519562818495
Energy: 2.822947807596672
Energy: 2.3946981645817607
Energy: 2.3261956493471727
Energy: 2.3946981645817607
Energy: 2.373789521246537
Energy: 2.7898149098993827
Energy: 2.965231048157008
Energy: 2.789814909898626
Energy: 2.359583162131566
Energy: 2.5323028564742036
Energy: 2.3230612563708313
Energy: 2.5323028564742036
Energy: 2.2472370553087715
Energy: 2.538891640437845
Energy: 2.6746273466384456
Energy: 2.5388916404370874
Energy: 2.3950468618792864
Energy: 2.60761303219147
Energy: 2.7925210810441548
Energy: 2.60761303219147
Energy: 2.404588075046436
Energy: 2.632585157310722
Energy: 2.3219790683275257
Energy: 2.632585157310722
Energy: 2.5263581035719795
Energy: 2.7360477193949064
Energy: 2.969720694846492
Energy: 2.736047719394149
Energy: 2.2939344501441785
Energy: 2.4545481366714546
Energy: 2.3007589740769636
Energy: 2.4545481366714546
Energy: 2.2180302850883375
Energy: 2.3504039134735106
Energy: 2.770420195720112
Energy: 2.3504039134742674
Energy: 2.310898345271985
Energy: 2.8198213865728974
Energy: 2.564898166223649
Energy: 2.819821386573654
Energy: 2.5044295056033437
Energy: 2.6567871624475012
Energy: 2.4840784170432455
Energy: 2.6567871624467445
Energy: 2.173824773996646
Energy: 2.745223900147185
Energy: 2.835829968029723
Energy: 2.7452239001464283

minimum gb energy = 2.114565489040323 eV
minimum distance =  2.3109203787301 Angstroms
sigma value = 73


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

Energy: 2.302848176154157
Energy: 2.3903905205733222
Energy: 2.816572389937122
Energy: 2.3903905205733222
Energy: 2.7962318846553855
Energy: 2.5903998829766506
Energy: 2.3631599640223184
Energy: 2.5903998829766506
Energy: 2.569409955492161
Energy: 2.807924267770531
Energy: 2.25889686172686
Energy: 2.8079242677525134
Energy: 2.5019972254461122
Energy: 2.6648489406267966
Energy: 2.2403567975412515
Energy: 2.6648489406255957
Energy: 2.455269772667767
Energy: 2.4653147593402145
Energy: 2.4676925648471784
Energy: 2.4653147593402145
Energy: 2.4163109501987017
Energy: 2.517407739219278
Energy: 2.5377812063989005
Energy: 2.5174077392180774
Energy: 2.818963501703333
Energy: 2.5704817681389773
Energy: 2.332444013350529
Energy: 2.5704817681389773
Energy: 2.059623082491103
Energy: 2.65688529029067
Energy: 2.4255498417993158
Energy: 2.65688529029067
Energy: 2.941494810369251
Energy: 2.40277986004851
Energy: 2.0956231193735286
Energy: 2.4027798600473087
Energy: 2.861758977179272
Energy: 2.783519169747273
Energy: 2.781370606619882
Energy: 2.783519169747273
Energy: 2.157603402657425
Energy: 2.4501362383558747
Energy: 2.6288869845746254
Energy: 2.4501362383558747
Energy: 2.510630765482282
Energy: 2.691005508446944
Energy: 2.1947672014143187
Energy: 2.691005508446944
Energy: 2.247175180386903
Energy: 2.3656218702977934
Energy: 2.9834636711795595
Energy: 2.365621870296592
Energy: 2.6039091069999123
Energy: 2.363734410892651
Energy: 2.40966074887284
Energy: 2.3637344108914498
Energy: 2.4441835614261826
Energy: 2.714301140433144
Energy: 2.613412690975865
Energy: 2.714301140433144
Energy: 2.6225225581542495
Energy: 2.7164067104647214
Energy: 2.333249992608087
Energy: 2.7164067104659226
Energy: 2.517251232545852
Energy: 2.833846833802792
Energy: 2.72392891320198
Energy: 2.8338468338039933
Energy: 2.4797689112581134
Energy: 2.4642275934038342
Energy: 2.869825586857554
Energy: 2.4642275934038342
Energy: 2.49674788908053
Energy: 2.4581192934275387
Energy: 2.386281411174435
Energy: 2.4581192934275387
Energy: 2.486563783331734
Energy: 3.0229020316381923
Energy: 2.844044885381487
Energy: 3.022902031639393
Energy: 2.667990181353011
Energy: 2.50349623942569
Energy: 2.4020132877063363
Energy: 2.5034962394268914
Energy: 2.2654741207706417
Energy: 2.576196918143012
Energy: 2.727725062237476
Energy: 2.576196918143012

minimum gb energy = 2.059623082491103 eV
minimum distance =  2.29546314262584 Angstroms
sigma value = 7


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

Energy: 2.2964316321203144
Energy: 2.275691103080312
Energy: 2.7052790734356833
Energy: 2.275691103078613
Energy: 2.8759701527202925
Energy: 2.8918452957780336
Energy: 2.3604004240281498
Energy: 2.891845295775486
Energy: 2.2330741660251836
Energy: 2.8079409153866055
Energy: 2.204818752920308
Energy: 2.8079409153840578
Energy: 2.6261325749241404
Energy: 2.5952064947402578
Energy: 2.4042959700036772
Energy: 2.5952064947385587
Energy: 2.428345318753402
Energy: 2.520149945193724
Energy: 2.3600274715690475
Energy: 2.520149945195423
Energy: 2.007714275311316
Energy: 2.674922755493593
Energy: 2.6514793743982343
Energy: 2.6749227554927435
Energy: 2.7455695310664976
Energy: 2.7127778657350237
Energy: 2.4100153971061236
Energy: 2.7127778657367227
Energy: 2.0394274599769266
Energy: 2.5573641294666904
Energy: 2.5240086445937733
Energy: 2.557364129468389
Energy: 2.772511232901507
Energy: 2.23748779444017
Energy: 2.1729121086662104
Energy: 2.2374877944376217
Energy: 2.1058514511037214
Energy: 3.017180361363639
Energy: 2.8455242252590507
Energy: 3.017180361362789
Energy: 2.684867334099931
Energy: 2.6672153578542
Energy: 2.2665852143885794
Energy: 2.6672153578550493
Energy: 2.6289302107480763
Energy: 2.640167829568826
Energy: 2.7406600172467543
Energy: 2.640167829567977
Energy: 2.3156568850676025
Energy: 2.434479807541754
Energy: 2.8499993505156263
Energy: 2.434479807540905
Energy: 2.390592001781922
Energy: 2.54657908473117
Energy: 2.4103025343409246
Energy: 2.5465790847303205
Energy: 2.3282004130479077
Energy: 2.5776906082248137
Energy: 2.7527812623968417
Energy: 2.577690608226512
Energy: 2.856565863939635
Energy: 2.3894345524449103
Energy: 2.2190223483968574
Energy: 2.3894345524449103
Energy: 2.202829049599499
Energy: 2.3234671270370058
Energy: 2.7992211254823527
Energy: 2.3234671270387053
Energy: 2.365484051479801
Energy: 2.673469629304306
Energy: 2.5485684101072135
Energy: 2.673469629300909
Energy: 2.1854427915452574
Energy: 2.6947548273733686
Energy: 2.702085357143066
Energy: 2.6947548273725195
Energy: 2.2274751483323327
Energy: 2.678268680160598
Energy: 2.6491212603356864
Energy: 2.678268680160598
Energy: 3.041069306442305
Energy: 2.542268703299113
Energy: 2.1680927210087373
Energy: 2.542268703297415
Energy: 2.1076900150121594
Energy: 2.8792548475382387
Energy: 2.5580701870436937
Energy: 2.879254847540787
Energy: 2.6888103453701566
Energy: 2.5716690307925902
Energy: 2.215730134887652
Energy: 2.5716690307951384
Energy: 2.150772150957775
Energy: 2.4068546070423946
Energy: 2.75394084402326
Energy: 2.4068546070423946
Energy: 2.8612631363603573
Energy: 2.5700672399631617
Energy: 2.449346670966872
Energy: 2.5700672399631617
Energy: 2.52952336687895
Energy: 2.7738539834783684
Energy: 2.276596148263445
Energy: 2.7738539834792175
Energy: 2.329744643191689
Energy: 2.7713298425584645
Energy: 2.511770291667608
Energy: 2.771329842556766
Energy: 2.7375156521149595
Energy: 2.505048969184395
Energy: 2.3564959840276405
Energy: 2.505048969184395
Energy: 2.0358652309763676
Energy: 2.6251304956082517
Energy: 2.5720193084160803
Energy: 2.625130495607403
Energy: 2.804162929906906
Energy: 3.15010629676998
Energy: 2.426922805237485
Energy: 3.15010629676998
Energy: 2.0544090792949543
Energy: 2.616363657352588
Energy: 2.363995967278004
Energy: 2.6163636573449445

minimum gb energy = 2.007714275311316 eV
minimum distance =  2.32660642887487 Angstroms
sigma value = 29


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

Energy: 2.287857605758706
Energy: 1.9226406808958378
Energy: 3.308049682397902
Energy: 1.9226406808958378
Energy: 2.5229164085253326
Energy: 2.7770790301822297
Energy: 2.6724758605948473
Energy: 2.7770788127113857
Energy: 2.509125397340123
Energy: 2.687097227989305
Energy: 2.32104651726966
Energy: 2.6870972279890086
Energy: 2.6893670353651373
Energy: 2.4590836507126173
Energy: 2.2885163702334133
Energy: 2.459083650762352
Energy: 2.6601600327576427
Energy: 2.057708886326325
Energy: 2.7823831454946566
Energy: 2.0577088863136037
Energy: 2.1423218934925137
Energy: 3.0309829890446403
Energy: 2.5403043828257155
Energy: 3.0309829890443774
Energy: 1.9950483532196353
Energy: 2.054589963884169
Energy: 2.6598792419744877
Energy: 2.054589964005301
Energy: 2.288528858067075
Energy: 2.4968749414408147
Energy: 2.6951562784914587
Energy: 2.4968749414408147
Energy: 2.342300932307536
Energy: 2.6846111565821116
Energy: 2.56747935361154
Energy: 2.684611156581848

minimum gb energy = 1.9226406808958378 eV
minimum distance =  2.31221843711064 Angstroms
sigma value = 5


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

Energy: 2.3986539977986934
Energy: 2.589407809325888
Energy: 2.609166557190211
Energy: 2.5894078093266897
Energy: 2.646648479712171
Energy: 2.508770930353313
Energy: 2.294561306631116
Energy: 2.508770930353313
Energy: 1.922772081147897
Energy: 2.568805011186276
Energy: 2.7174869786002946
Energy: 2.568805011186276
Energy: 2.627470194041902
Energy: 2.439957417559822
Energy: 2.592139972251102
Energy: 2.439957417560625
Energy: 2.1703141078839256
Energy: 2.834413296223664
Energy: 2.62621511793718
Energy: 2.834413296223664
Energy: 2.428485709140299
Energy: 2.7944668427993085
Energy: 2.305013798528281
Energy: 2.7944668427985064
Energy: 2.0428424157170797
Energy: 2.542503726866139
Energy: 2.3977334263781294
Energy: 2.5425037268669417
Energy: 2.3287009134227445
Energy: 2.755089724362374
Energy: 2.351098519780787
Energy: 2.7550897243631756
Energy: 2.5609703784522804
Energy: 2.9236137480469955
Energy: 2.1874540478378077
Energy: 2.9236137480477984
Energy: 2.554261231466212
Energy: 2.5893528267282555
Energy: 2.374927650873637
Energy: 2.5893528267282555
Energy: 2.2294735425291696
Energy: 2.754671810935617
Energy: 2.1481948346726423
Energy: 2.754671810935617
Energy: 2.170834486692783
Energy: 2.5278145934594627
Energy: 2.5655849678492864
Energy: 2.5278145934594627
Energy: 2.872922354012578
Energy: 2.648096065293817
Energy: 2.37268870046735
Energy: 2.6480960652946193
Energy: 2.399738133464345
Energy: 2.845083048658276
Energy: 2.681827396075963
Energy: 2.845083048657474
Energy: 2.7943496057830726
Energy: 2.5957018045504725
Energy: 2.1398028454583007
Energy: 2.5957018045504725
Energy: 2.192587442394727
Energy: 2.582514171530995
Energy: 2.6285810167636385
Energy: 2.582514171531797
Energy: 2.5818732292632607
Energy: 2.4073082850531633
Energy: 2.2247535911912246
Energy: 2.407308285054768
Energy: 2.4330461843564204
Energy: 2.6887087875060165
Energy: 2.463525874431034
Energy: 2.6887087875060165
Energy: 2.4899833313402957
Energy: 2.504424929691985
Energy: 2.226857720241545
Energy: 2.504424929691985
Energy: 2.141661806286196
Energy: 2.8586626186055035
Energy: 2.5462964368580043
Energy: 2.8586626186087125
Energy: 2.2305269091153663
Energy: 2.6130740582989795
Energy: 2.715945484887857
Energy: 2.613074058299782
Energy: 2.3624867539728602
Energy: 2.7323222994523606
Energy: 2.5605095345405386
Energy: 2.732322299451558
Energy: 2.4140284723471246
Energy: 2.805106363662896
Energy: 2.0209783204094576
Energy: 2.805106363662093
Energy: 2.574690436208544
Energy: 2.652138261890038
Energy: 2.2746810167932967
Energy: 2.652138261890038
Energy: 2.5704623731838585
Energy: 2.701057426930849
Energy: 2.417477651608439
Energy: 2.701057426930849
Energy: 2.6055145381189857
Energy: 2.9025439751835775
Energy: 2.413645956236119
Energy: 2.9025439751851825
Energy: 2.341843264261435
Energy: 2.490988125312895
Energy: 2.5061091384031102
Energy: 2.490988125312093
Energy: 2.752947378355115
Energy: 2.608148868042231
Energy: 2.1928075591542053
Energy: 2.608148868043836
Energy: 2.279089823370704
Energy: 2.5142373914124283
Energy: 2.5675477472723798
Energy: 2.5142373914108243
Energy: 2.779107872660678
Energy: 2.628424065645771
Energy: 2.447258225160664
Energy: 2.628424065645771
Energy: 2.295035510131134
Energy: 2.4723878519385805
Energy: 2.799412451989719
Energy: 2.472387851939383
Energy: 2.71777123065958
Energy: 2.559477123886031
Energy: 2.111733168396079
Energy: 2.559477123885229
Energy: 2.3804485794809374
Energy: 2.574746842970063
Energy: 2.764354710934362
Energy: 2.5747468429692613

minimum gb energy = 1.922772081147897 eV
minimum distance =  2.30765244559322 Angstroms
sigma value = 1


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

Energy: 2.1039687458629226
Energy: 2.633947156654059
Energy: 2.725957869294899
Energy: 2.6339471566551693
Energy: 2.44819238917249
Energy: 2.52786686509281
Energy: 2.160335813642092
Energy: 2.527866865064018
Energy: 1.7160109091563664
Energy: 2.7743083031310176
Energy: 2.2091155515595076
Energy: 2.7743083031310176
Energy: 2.3492511466554666
Energy: 2.5493379658094404
Energy: 2.209237919902722
Energy: 2.54933796581055
Energy: 1.9307531014678323
Energy: 2.660270211102164
Energy: 2.454033010670925
Energy: 2.660270211102164
Energy: 2.3985490955446167
Energy: 2.6276272278424933
Energy: 2.4226190899881908
Energy: 2.6276272278413844
Energy: 2.027301673069433
Energy: 2.5428589645275492
Energy: 2.4073805734324516
Energy: 2.542858964525331
Energy: 2.4253294411774093
Energy: 2.7921145598966817
Energy: 2.366254538557973
Energy: 2.792114559897791
Energy: 2.353701690860712
Energy: 2.611979584205915
Energy: 2.3482937478584875
Energy: 2.611979584236925
Energy: 2.3536906935344724
Energy: 2.629198621299171
Energy: 2.531611016035672
Energy: 2.629198621300281
Energy: 2.4269191292773513
Energy: 2.803809747836815
Energy: 2.246489196901589
Energy: 2.8038097478390336
Energy: 2.024671590129431
Energy: 2.4321931132094483
Energy: 2.274631804114051
Energy: 2.4321931132116665
Energy: 2.3931519408721997
Energy: 2.6274091365504333
Energy: 2.423822146410318
Energy: 2.6274091365437773
Energy: 1.927397589730621
Energy: 2.6449763442613214
Energy: 2.390685671631251
Energy: 2.644976344259103
Energy: 2.3670012948176993
Energy: 2.5316136354257233
Energy: 2.2124493351580283
Energy: 2.5316136354268326
Energy: 1.706300014674946
Energy: 2.767161935003566
Energy: 2.3605053424543
Energy: 2.7671619350080032
Energy: 2.361182666791748
Energy: 2.5272925372911685
Energy: 2.154809077606373
Energy: 2.527292537308917
Energy: 2.1039687458629226
Energy: 2.6339471566551693
Energy: 2.8019966660762012
Energy: 2.6339471566551693
Energy: 2.4481923891569592
Energy: 2.52786686509281
Energy: 2.160335813642092
Energy: 2.52786686509281
Energy: 1.7160109091596942
Energy: 2.7743083031310176
Energy: 2.2091155429717535
Energy: 2.7743083031310176
Energy: 2.349251146223041
Energy: 2.5493379658094404
Energy: 2.2092379199038312
Energy: 2.54933796581055
Energy: 1.9307531014678323
Energy: 2.660270211103273
Energy: 2.454033010670925
Energy: 2.660270211103273
Energy: 2.3985490853058704
Energy: 2.6276272278413844
Energy: 2.4226190899892996
Energy: 2.6276272278424933
Energy: 2.027301673068324
Energy: 2.54285896454197
Energy: 2.4073805734313427
Energy: 2.54285896454197

minimum gb energy = 1.706300014674946 eV
minimum distance =  2.31463398819087 Angstroms
sigma value = 17


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

Energy: 2.3115765477400734
Energy: 2.9397536700101288
Energy: 2.527383010632067
Energy: 2.9397536700101288
Energy: 2.6016640666603412
Energy: 2.5871482848020664
Energy: 2.2876665414146067
Energy: 2.5871482848020664
Energy: 2.0856845522492367
Energy: 2.664056522401088
Energy: 2.843018552873368
Energy: 2.6640565224004025
Energy: 2.34917274920784
Energy: 2.6089238853444474
Energy: 2.3105929128429192
Energy: 2.6089238853437617
Energy: 1.8840198888626563
Energy: 2.746239039463337
Energy: 2.5578946868622188
Energy: 2.746239039464023
Energy: 2.32161356847053
Energy: 2.7407965898524274
Energy: 2.67902118243446
Energy: 2.740796589851742
Energy: 2.43852106270931
Energy: 2.464856017515493
Energy: 2.4024995414571597
Energy: 2.4648560175161793
Energy: 2.289407269131769
Energy: 2.70909887971608
Energy: 2.245617417166769
Energy: 2.70909887971608
Energy: 2.4091100923910487
Energy: 2.506030894698252
Energy: 2.522675367723706
Energy: 2.5060308946975662
Energy: 2.57214650798045
Energy: 2.847770422091666
Energy: 2.53600466691233
Energy: 2.8477704220909805
Energy: 2.436710107371789
Energy: 2.6441025993732783
Energy: 2.3111055674309267
Energy: 2.644102599373964
Energy: 2.5678562760859345
Energy: 2.6686969393359323
Energy: 2.3793550578224614
Energy: 2.6686969393359323
Energy: 2.3563858454087896
Energy: 2.8228676229880456
Energy: 2.5224380586191066
Energy: 2.8228676229866743
Energy: 2.096724818876482
Energy: 2.8322896040786874
Energy: 2.433899639158793
Energy: 2.832289604079373
Energy: 2.520196606804456
Energy: 2.6593817319722
Energy: 2.46064048534093
Energy: 2.6593817319728856
Energy: 2.3027914634108946
Energy: 2.8414688166421143
Energy: 2.6059418131458627
Energy: 2.8414688166428
Energy: 2.4963082080011434
Energy: 2.5538165130492576
Energy: 2.2483692398450588
Energy: 2.5538165130492576
Energy: 2.0519977029735954
Energy: 2.8407642367992976
Energy: 2.6409478102489654
Energy: 2.840764236798612
Energy: 2.4415521066232344
Energy: 2.591003366349868
Energy: 2.193533300589157
Energy: 2.591003366349868
Energy: 2.516143846260472
Energy: 2.5894266690739327
Energy: 2.6552536623283842
Energy: 2.589426669058163
Energy: 2.581868300530399
Energy: 2.6139200023665428
Energy: 2.312725719353151
Energy: 2.613920002365857
Energy: 2.0007970703304245
Energy: 2.7700346916474574
Energy: 2.852940345025804
Energy: 2.7700346916460856
Energy: 2.471908104232569
Energy: 2.76505432163243
Energy: 2.6202065791542877
Energy: 2.76505432163243
Energy: 2.307626816874722
Energy: 2.6441290977555965
Energy: 2.573832760383295
Energy: 2.644129097754911
Energy: 2.5491509689898475
Energy: 2.913198684238297
Energy: 2.201527275677465
Energy: 2.9131986842403546
Energy: 2.130032473357758
Energy: 2.5138612463871928
Energy: 2.424918720787619
Energy: 2.513861246386507
Energy: 2.6250173104760703
Energy: 2.9610465653798004
Energy: 2.361543602487348
Energy: 2.9610465653804865
Energy: 2.5668303130068724
Energy: 2.7868757368739367
Energy: 2.346257784861965
Energy: 2.7868757368739367
Energy: 2.4487213841362796
Energy: 2.797234134939304
Energy: 2.231353098157097
Energy: 2.797234134939304
Energy: 2.5139496976867814
Energy: 2.8304986234132956
Energy: 2.2411272387566563
Energy: 2.83049862341261
Energy: 2.350177181711473
Energy: 2.6413208183393677
Energy: 2.582815166599136
Energy: 2.641320818337997
Energy: 2.3433285002932824
Energy: 2.707523533635056
Energy: 2.5559394043346675
Energy: 2.707523533635056
Energy: 2.5441877966714865
Energy: 2.9063590411566067
Energy: 2.502851730344131
Energy: 2.9063590411566067
Energy: 2.474432339041618
Energy: 2.5824857828595578
Energy: 2.3841544320408756
Energy: 2.582485782858872
Energy: 1.9923587435165724
Energy: 2.929886186385357
Energy: 2.653191196797636
Energy: 2.9298861863839853
Energy: 2.494143022788778
Energy: 2.5040187812449752
Energy: 2.2917867775404526
Energy: 2.5040187812490893
Energy: 2.66978088530479
Energy: 2.7676030207869973
Energy: 2.500290167482954
Energy: 2.7676030207863116
Energy: 2.551697491397706
Energy: 2.695335194023087
Energy: 2.099783529171772
Energy: 2.695335194023087

minimum gb energy = 1.8840198888626563 eV
minimum distance =  2.29937389999957 Angstroms
sigma value = 89


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

Energy: 2.5909760182507684
Energy: 2.4762033243339423
Energy: 2.5744557903850445
Energy: 2.4762033243321486
Energy: 2.339013487145554
Energy: 2.551485056780266
Energy: 2.1905620343299876
Energy: 2.551485056780266
Energy: 1.787505401209759
Energy: 2.8734420997928467
Energy: 2.6373025365749543
Energy: 2.8734483914489144
Energy: 2.20590436166645
Energy: 2.8236941107756244
Energy: 1.7928571563438478
Energy: 2.823694110772036
Energy: 2.4571215796964556
Energy: 2.4742752745818333
Energy: 2.2585637691002036
Energy: 2.474275274585421
Energy: 2.9397590302280032
Energy: 2.8226964707592197
Energy: 2.0382538128217127
Energy: 2.8226964709994906
Energy: 2.0297003580363353
Energy: 2.3595394678684825
Energy: 2.2593564036492904
Energy: 2.359539468022683
Energy: 2.0420102488602527
Energy: 3.03580076614668
Energy: 1.945049157560401
Energy: 3.03580076681196
Energy: 2.3334358560260102
Energy: 2.460028315496815
Energy: 2.2029188918251696
Energy: 2.460028315496815
Energy: 2.255735285969725
Energy: 3.0773797377034438
Energy: 2.4816903142500455
Energy: 3.0773797377016496
Energy: 2.054214088226773
Energy: 2.60870938763957
Energy: 2.370755462369258
Energy: 2.60870938763957
Energy: 2.2060621542206458
Energy: 2.639548565079675
Energy: 2.1955587955031586
Energy: 2.6395485650760873
Energy: 1.8473989186635456
Energy: 2.636698921362395
Energy: 2.1799076629350242
Energy: 2.636698921362395
Energy: 2.1658838862823635
Energy: 2.6060742201865184
Energy: 2.161234290685983
Energy: 2.6060742201865184
Energy: 2.0638556061535986
Energy: 2.6659285461813256
Energy: 1.9797158129988797
Energy: 2.6659285461813256

minimum gb energy = 1.787505401209759 eV
minimum distance =  2.28384188186729 Angstroms
sigma value = 13


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

Energy: 2.5306077884323117
Energy: 2.5518781725712434
Energy: 2.403486049260223
Energy: 2.5518781725734994
Energy: 2.269414018006422
Energy: 2.623022116935561
Energy: 1.7970397422673852
Energy: 2.623022116934809
Energy: 2.1953978508328924
Energy: 2.678250052352438
Energy: 2.491978281197125
Energy: 2.67825005235319
Energy: 2.1800610185013687
Energy: 2.6177892549628914
Energy: 1.8227894784014276
Energy: 2.6177892549636432
Energy: 2.1629853311516154
Energy: 2.621342204553397
Energy: 2.369857008931896
Energy: 2.6213422045518935
Energy: 2.4500258182112247
Energy: 2.731538466731616
Energy: 2.128404808097201
Energy: 2.731538466724849
Energy: 2.2154134263480767
Energy: 2.6645823531299664
Energy: 2.420125923597523
Energy: 2.66458235313147
Energy: 2.4882816142049706
Energy: 2.762388019142175
Energy: 2.1233323919457976
Energy: 2.762388019143679
Energy: 2.1910632783699815
Energy: 2.521599346057308
Energy: 2.3216157859650863
Energy: 2.521599346059564
Energy: 2.3264465150862907
Energy: 2.9240754861462213
Energy: 2.0349027639850705
Energy: 2.9240754861447176
Energy: 2.1228904610447374
Energy: 2.686797490194517
Energy: 2.2924774974488438
Energy: 2.6867974901930127
Energy: 2.4033168577038944
Energy: 2.8293827532510636
Energy: 1.995122912039958
Energy: 2.829382753257079
Energy: 2.3406189408114897
Energy: 2.7547793326235355
Energy: 2.4069301256225386
Energy: 2.7547793326235355
Energy: 2.304875550974754
Energy: 2.8759629930537827
Energy: 2.116626764391388
Energy: 2.8759629930507753
Energy: 2.3159805278342254
Energy: 2.66790978194111
Energy: 2.4448500887815685
Energy: 2.667909781941862
Energy: 2.2098835408629403
Energy: 2.5093049110382335
Energy: 2.2589746565240185
Energy: 2.5093049149254667
Energy: 2.235673128860703
Energy: 2.7459828550416523
Energy: 2.119573035409459
Energy: 2.7459828550439083
Energy: 2.59185290559282
Energy: 2.8534407385174223
Energy: 2.248378510276368
Energy: 2.8534407385166705
Energy: 2.3960667808191296
Energy: 2.9435735067823146
Energy: 2.2170593752056833
Energy: 2.943573506787578
Energy: 2.3951624887764478
Energy: 2.949849815874837
Energy: 2.2105933732064993
Energy: 2.9498498158770925
Energy: 2.442099899826573
Energy: 2.8292704423739825
Energy: 2.244987076861181
Energy: 2.8292704423709747
Energy: 2.1860262064780103
Energy: 2.7340679264464307
Energy: 2.1383759213241813
Energy: 2.734067926447935
Energy: 2.2078796709258066
Energy: 2.7762120789970988
Energy: 2.251767723519001
Energy: 2.7762120789955946
Energy: 2.311875375238306
Energy: 2.6855267002266565
Energy: 2.3579281813124613
Energy: 2.6855267002251524
Energy: 2.311571367874261
Energy: 2.8633863479614545
Energy: 2.11864874999972
Energy: 2.863386347959951
Energy: 2.3126766794858495
Energy: 2.777575817891983
Energy: 2.4373518544870625
Energy: 2.7775758178912313
Energy: 2.4014751442124864
Energy: 2.801047471879728
Energy: 1.9517571489674843
Energy: 2.8010474719586798
Energy: 2.123043971293034
Energy: 2.776717625699573
Energy: 2.2501209380496436
Energy: 2.776717625698821
Energy: 2.3195223629048627
Energy: 2.9127217069393505
Energy: 2.0404951457598255
Energy: 2.912721706940854
Energy: 2.1854803354779238
Energy: 2.50364297307354
Energy: 2.3624843200088015
Energy: 2.503642973074292
Energy: 2.506114915802493
Energy: 2.7718502523690924
Energy: 2.126219776458601
Energy: 2.7718502523675883
Energy: 2.2169516614893
Energy: 2.6024771776422684
Energy: 2.4080423692766164
Energy: 2.6024771776430202
Energy: 2.54457749097336
Energy: 2.726170382331048
Energy: 2.13162641194723
Energy: 2.726170382329544
Energy: 2.209642690075777
Energy: 2.6144881349430826
Energy: 2.29524463581712
Energy: 2.614488134938571
Energy: 2.200337558263774
Energy: 2.632945257940158
Energy: 1.8207032873087636
Energy: 2.6329452579446695

minimum gb energy = 1.7970397422673852 eV
minimum distance =  2.2915446709645 Angstroms
sigma value = 37


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

Energy: 2.0142550848586285
Energy: 2.765030639786216
Energy: 2.6046367703131685
Energy: 2.765030639773309
Energy: 2.192034650879431
Energy: 2.444592988931513
Energy: 1.7424398032965838
Energy: 2.444592988932807
Energy: 1.9875463394940736
Energy: 2.589687154536231
Energy: 2.040425912149803
Energy: 2.5896856434615962
Energy: 2.1445758311502767
Energy: 2.638470387944769
Energy: 1.4661099286650205
Energy: 2.638470387942182
Energy: 1.461006459872559
Energy: 2.7360107562965235
Energy: 2.195031171307658
Energy: 2.736010756359883
Energy: 2.054028623042194
Energy: 2.63228721152125
Energy: 1.7472821393332114
Energy: 2.6322872087734654
Energy: 1.9265283554197092
Energy: 2.355168118645876
Energy: 2.1396545821559365
Energy: 2.3551680931889587
Energy: 2.870505378794336
Energy: 2.7389496356094587
Energy: 2.2251745592058394
Energy: 2.738949635608165
Energy: 1.7280690717737563
Energy: 2.391996884431664
Energy: 2.2340554921702984
Energy: 2.391996884431664
Energy: 1.9843366098945285
Energy: 2.7456712387931295
Energy: 1.7424919404285597
Energy: 2.745671238791836
Energy: 1.806337306853746
Energy: 2.599748016602649
Energy: 2.0990290946652004
Energy: 2.599748016602649
Energy: 2.0810646529586494
Energy: 2.8107887560973825
Energy: 1.7802632673278647
Energy: 2.8107887560960894
Energy: 1.761643740661886
Energy: 2.665680907462458
Energy: 1.8973273640373884
Energy: 2.665680907462458
Energy: 2.1175873348981615
Energy: 2.7291281352861985
Energy: 1.9390571776665295
Energy: 2.7291281352836108
Energy: 2.2308758629744156
Energy: 2.9210378644426545
Energy: 2.669710209960734
Energy: 2.9210378644426545
Energy: 2.0987479484844314
Energy: 2.8352193906521808
Energy: 2.1231000841814485
Energy: 2.835219390674143
Energy: 1.774335605075223
Energy: 2.7259748273620823
Energy: 2.1037509090447153
Energy: 2.725974827360788
Energy: 1.984869229977744
Energy: 2.386825326466129
Energy: 1.9226618240314532
Energy: 2.386825326468687
Energy: 1.6385840512090908
Energy: 2.9628718591426746
Energy: 1.633430612307343
Energy: 2.9628718656210102
Energy: 1.9635138578706681
Energy: 2.5182635107485885
Energy: 2.092483546653691
Energy: 2.5182635107498825

minimum gb energy = 1.461006459872559 eV
minimum distance =  2.29045905490658 Angstroms
sigma value = 25


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

Energy: 2.1630245433745765
Energy: 2.4243696116055786
Energy: 2.381305830371661
Energy: 2.424369611599518
Energy: 2.173636377824786
Energy: 2.4030969842916123
Energy: 1.642037537697574
Energy: 2.4030969842906025
Energy: 1.9347765565490673
Energy: 2.5689996939231237
Energy: 2.416602219420422
Energy: 2.568999693922114
Energy: 2.1971516036152825
Energy: 2.51560320236287
Energy: 1.8098370043136283
Energy: 2.515603202382064
Energy: 1.7315959900094733
Energy: 2.4866882025704826
Energy: 2.2273252276448563
Energy: 2.486688202572503
Energy: 2.1103084346431173
Energy: 2.5797897941788226
Energy: 1.7524986294213416
Energy: 2.579789794179833
Energy: 1.7995456828537764
Energy: 2.6200952707962184
Energy: 2.2092281532682
Energy: 2.6200952707962184
Energy: 2.016196029300554
Energy: 2.7135204453845905
Energy: 1.95380590204154
Energy: 2.7135204453835806
Energy: 1.8635417102600367
Energy: 2.452609907522521
Energy: 2.217206285504218
Energy: 2.4526099075235313
Energy: 2.506694357453796
Energy: 2.4155788996757086
Energy: 2.089095586525712
Energy: 2.415578899672678
Energy: 1.6986351588313202
Energy: 2.5157202205761
Energy: 2.103378106291527
Energy: 2.5157202205761
Energy: 2.0261627437526957
Energy: 2.7488266713363743
Energy: 2.0615963973175537
Energy: 2.7488266713343537
Energy: 1.8794414093411458
Energy: 2.5493444904514826
Energy: 2.110646636778978
Energy: 2.5493444904504727
Energy: 2.053015695369008
Energy: 2.6689281527690385
Energy: 1.7093606766586904
Energy: 2.668928152748835
Energy: 1.6169247827136612
Energy: 2.6859413935506606
Energy: 2.0078476031259473
Energy: 2.685941393551671
Energy: 2.2423959978763977
Energy: 2.5626669283095906
Energy: 1.9855452034927235
Energy: 2.5626669294202786
Energy: 1.934618141016525
Energy: 2.683645502497238
Energy: 1.9538032999834278
Energy: 2.683645502498248
Energy: 2.083595718392741
Energy: 2.550391295487091
Energy: 1.8432940858692577
Energy: 2.550391295516386
Energy: 2.031730978812828
Energy: 2.623226626933106
Energy: 2.26940303610541
Energy: 2.623226626929065
Energy: 2.2010879342765812
Energy: 2.5251724810947347
Energy: 2.103071949245482
Energy: 2.525172481093725
Energy: 1.861097671580215
Energy: 2.47491176156114
Energy: 1.8339061528007803
Energy: 2.474911761749951
Energy: 2.054293291274978
Energy: 2.772392946803378
Energy: 1.7715495262999867
Energy: 2.7723929471517046
Energy: 1.8644970572744533
Energy: 2.6262889345923544
Energy: 1.914604591832253
Energy: 2.6262889345509373
Energy: 1.9598723418429598
Energy: 2.623410516891933
Energy: 1.8388439086940138
Energy: 2.623410516891933
Energy: 1.9145001278887284
Energy: 2.7074135521144886
Energy: 2.2215034316191318
Energy: 2.7074135520266496
Energy: 1.9033336412890396
Energy: 2.7099512166681907
Energy: 1.801313063666178
Energy: 2.7099512166681907

minimum gb energy = 1.6169247827136612 eV
minimum distance =  2.28743712682725 Angstroms
sigma value = 41


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

Energy: 1.8471787765861756
Energy: 2.478647417587768
Energy: 2.3976291394195504
Energy: 2.4786474175885957
Energy: 2.0817885756356085
Energy: 2.3447960255332454
Energy: 1.533547423905438
Energy: 2.3447960255332454
Energy: 1.716251837170497
Energy: 2.3296431377733864
Energy: 2.4708736791009867
Energy: 2.3296431377733864
Energy: 2.0223817696720086
Energy: 2.3483644646818327
Energy: 1.5012317220949298
Energy: 2.3483644646810045
Energy: 1.4290771357641816
Energy: 2.460698144721097
Energy: 2.3546588924389082
Energy: 2.460698144721097
Energy: 2.1963675203811563
Energy: 2.374141335689464
Energy: 1.2627216311650575
Energy: 2.374141335688636
Energy: 1.3928505043612582
Energy: 2.5016960566214252
Energy: 2.2626536200977654
Energy: 2.5016960566222535
Energy: 2.0970895573572403
Energy: 2.5529105176513154
Energy: 1.4382443840622319
Energy: 2.5529105176521436
Energy: 1.5158538334373572
Energy: 2.2940996615568032
Energy: 2.2141889107513384
Energy: 2.2940996615568032
Energy: 1.9925042336948262
Energy: 2.3288634118137614
Energy: 1.6213897338425405
Energy: 2.3288634118137614
Energy: 1.5414888429618754
Energy: 2.404264658819002
Energy: 2.132252249812795
Energy: 2.404264658819002
Energy: 2.2898861919836815
Energy: 2.4880725156434385
Energy: 1.8457298142126164
Energy: 2.4880725156442667
Energy: 1.5488296546615536
Energy: 2.3669189610516117
Energy: 2.079010723139947
Energy: 2.3669189610524395
Energy: 1.8499150516650937
Energy: 2.4253464040821973
Energy: 1.6449914624839004
Energy: 2.4253464040813686
Energy: 1.6588554714785568
Energy: 2.487394270404495
Energy: 2.0317240592846453
Energy: 2.4873942704028384
Energy: 1.8801106067362843
Energy: 2.600625753733856
Energy: 1.445036667762146
Energy: 2.6006257537321993
Energy: 1.4031892918579865
Energy: 2.3953305049892784
Energy: 1.8990086702919446
Energy: 2.3953305049884506
Energy: 2.0647724135035235
Energy: 2.4846510693194457
Energy: 1.2630119624841527
Energy: 2.4846510693186175
Energy: 1.5391467337984681
Energy: 2.6647504598635616
Energy: 1.8726386164258124
Energy: 2.6647504598627343
Energy: 2.011699534425153
Energy: 2.4971900555868833
Energy: 1.400311564111338
Energy: 2.4971900555868833
Energy: 1.7205370988731261
Energy: 2.649322836377293
Energy: 1.8628987665312802
Energy: 2.6493228363781203
Energy: 2.068479021881184
Energy: 2.283270755786054
Energy: 1.5565048206894279
Energy: 2.2832707604722637
Energy: 1.9748940270941122
Energy: 2.5796152014588376
Energy: 2.272026828504418
Energy: 2.5796152014588376
Energy: 2.006986084779947
Energy: 2.4104341806324325
Energy: 1.8859466981112682
Energy: 2.410434180630776
Energy: 1.7031917191205455
Energy: 2.478544439696255
Energy: 2.0328688642156294
Energy: 2.4785444396970826
Energy: 2.0021781559737812
Energy: 2.4960066257813733
Energy: 1.6550489233282584
Energy: 2.4960066257822016
Energy: 1.5601787914338803
Energy: 2.755289614559731
Energy: 1.8544721210903914
Energy: 2.755289614560559
Energy: 1.8169754650117331
Energy: 2.603733159862939
Energy: 1.5391480007255278
Energy: 2.6037331598637676
Energy: 1.4660933005766372
Energy: 2.4122564119496537
Energy: 1.9589182399439549
Energy: 2.412256411902523
Energy: 1.9492425122424606
Energy: 2.4829485191326315
Energy: 1.6294158874627505
Energy: 2.4829485191318033
Energy: 1.405336888164907
Energy: 2.685461108866109
Energy: 2.0803171096603785
Energy: 2.685461108866109
Energy: 1.8613479641630657
Energy: 2.6703070513109703
Energy: 1.845673647469664
Energy: 2.670307051807651

minimum gb energy = 1.2627216311650575 eV
minimum distance =  2.31843904507203 Angstroms
sigma value = 15


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

Energy: 1.893064418631151
Energy: 2.3221453294152363
Energy: 2.3129059307487765
Energy: 2.322145329415938
Energy: 2.052679260941909
Energy: 2.3012769167512896
Energy: 1.374976007361399
Energy: 2.3012769167512896
Energy: 1.5888986123148274
Energy: 2.348018388219353
Energy: 2.4271231780317692
Energy: 2.348018388219353
Energy: 1.992311598583038
Energy: 2.3122319264919273
Energy: 1.4935859846666402
Energy: 2.3122319264919273
Energy: 1.5124464965814424
Energy: 2.339072929014516
Energy: 2.2669037303311184
Energy: 2.3390729290152175
Energy: 1.8831461341230735
Energy: 2.356099707192848
Energy: 1.4929477642623548
Energy: 2.356099707192146
Energy: 1.2539377748763918
Energy: 2.4516877203351255
Energy: 2.2549359738049897
Energy: 2.4516877203351255
Energy: 1.9788444228364632
Energy: 2.4433698894887548
Energy: 1.2775734175724522
Energy: 2.4433698894880536
Energy: 1.3879584957149316
Energy: 2.3796587918146614
Energy: 2.203052958844228
Energy: 2.379658791810452
Energy: 1.8228921830001406
Energy: 2.4377738286752235
Energy: 1.2828724921322914
Energy: 2.4377738286752235
Energy: 1.4875132422273707
Energy: 2.301577928744982
Energy: 2.1383670881614694
Energy: 2.30157792874428
Energy: 1.8266361327923166
Energy: 2.4221907315387687
Energy: 1.6022360960670927
Energy: 2.4221907315387687
Energy: 1.5251908013670317
Energy: 2.280759107217863
Energy: 2.0641348603961562
Energy: 2.280759107215758
Energy: 2.17511253798948
Energy: 2.3670658831913562
Energy: 1.6592428796325625
Energy: 2.3670658831927587
Energy: 1.5200179226178268
Energy: 2.3694363049264484
Energy: 2.0437240533502825
Energy: 2.36943630492715
Energy: 1.7539889089317353
Energy: 2.4119783882362174
Energy: 1.5738574819406315
Energy: 2.4119783882362174
Energy: 1.4843542759772796
Energy: 2.4070635887826004
Energy: 2.0428734239418818
Energy: 2.4070635887847054
Energy: 1.8077722065604087
Energy: 2.3788792163965637
Energy: 1.295833296689603
Energy: 2.3788792163965637
Energy: 1.4729717108923328
Energy: 2.4375436837219593
Energy: 1.879140699961885
Energy: 2.4375436837205555
Energy: 1.877401027793718
Energy: 2.516353724850695
Energy: 1.2735524293406182
Energy: 2.516353724852098
Energy: 1.4868078506307518
Energy: 2.438254319196356
Energy: 1.8929075346031745
Energy: 2.4382543191970574
Energy: 1.8795988895185076
Energy: 2.4201824660045266
Energy: 1.2675883154464085
Energy: 2.4201824660045266
Energy: 1.5093874868390937
Energy: 2.5777280298370986
Energy: 1.818674139466411
Energy: 2.5777280298363974
Energy: 2.0261465163625587
Energy: 2.4031683305121767
Energy: 1.2756745322509868
Energy: 2.4031683305121767
Energy: 1.6678801585300538
Energy: 2.610990243687792
Energy: 1.8376245105241265
Energy: 2.610990243688493
Energy: 1.9857736456109423
Energy: 2.4222537903637797
Energy: 1.1472536669529576
Energy: 2.4222537903637797
Energy: 1.8455963519739351
Energy: 2.4152774816767257
Energy: 2.159726102589145
Energy: 2.4152774816760236
Energy: 2.0425721330443136
Energy: 2.333667443185241
Energy: 1.8477445127557852
Energy: 2.3336674431859423
Energy: 1.6681358473795607
Energy: 2.5040336823379326
Energy: 1.9973729558340105
Energy: 2.50403368233653
Energy: 1.9388793165797658
Energy: 2.4543040436249624
Energy: 1.6368608130723012
Energy: 2.454304043623559
Energy: 1.4972538704223353
Energy: 2.512036623926899
Energy: 1.7978400654521032
Energy: 2.512036623926899
Energy: 1.844429984778135
Energy: 2.5117233482554626
Energy: 1.7230136441754946
Energy: 2.511723348256164
Energy: 1.4960149643803167
Energy: 2.5961249929889685
Energy: 1.954957848525471
Energy: 2.5961249929882673
Energy: 1.818769641943374
Energy: 2.675814280311155
Energy: 1.4793617781660418
Energy: 2.675814280310454
Energy: 1.3422308552633575
Energy: 2.500456251244167
Energy: 1.9989184655638428
Energy: 2.5004562512399575
Energy: 1.8186143787032472
Energy: 2.7162797637804257
Energy: 1.5911972460594312
Energy: 2.7162797637804257
Energy: 1.629083326512585
Energy: 2.4459019554218884
Energy: 2.10515144110659
Energy: 2.4459019554218884

minimum gb energy = 1.1472536669529576 eV
minimum distance =  2.32314548740945 Angstroms
sigma value = 85


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

Energy: 1.76181845079043
Energy: 2.3224074886411654
Energy: 1.986946473422574
Energy: 2.3224074886399486
Energy: 2.045266344536149
Energy: 2.270922017666434
Energy: 1.2005040304494359
Energy: 2.270922017674925
Energy: 1.5319688349797569
Energy: 2.3163751363934666
Energy: 2.2630755605134203
Energy: 2.316375136392858
Energy: 2.0808966179518693
Energy: 2.2746135599442403
Energy: 1.2119954975085272
Energy: 2.274613559946066
Energy: 1.4330512167802412
Energy: 2.3097768559213225
Energy: 2.0879866000331244
Energy: 2.309776855920714
Energy: 2.029199968723287
Energy: 2.3766808563781296
Energy: 1.2574248335371634
Energy: 2.3766808563781296
Energy: 1.2230392143914406
Energy: 2.421559768204216
Energy: 2.124590673655886
Energy: 2.4215597682048244
Energy: 1.8683799958158847
Energy: 2.3637488047592807
Energy: 1.1279563777597272
Energy: 2.363748804758064
Energy: 1.229025308979308
Energy: 2.4124524398689684
Energy: 1.9807705929690422
Energy: 2.4124524398671428
Energy: 2.0072726905932603
Energy: 2.3950953637425485
Energy: 1.2107648889011402
Energy: 2.395095363743157
Energy: 1.1573792802214427
Energy: 2.307939747746884
Energy: 2.0700838185780706
Energy: 2.307939747747492
Energy: 1.7771400573004814
Energy: 2.338007685406648
Energy: 1.3278937123561634
Energy: 2.3380076854060396
Energy: 1.3201793017786707
Energy: 2.3267870312311194
Energy: 2.002499806746308
Energy: 2.3267870312311194
Energy: 1.6638257355484634
Energy: 2.401659786463586
Energy: 1.5217526435494044
Energy: 2.401659786464194
Energy: 1.3287790203793015
Energy: 2.298595521056163
Energy: 2.0495763172932544
Energy: 2.2985955210567712
Energy: 1.9468227836585659
Energy: 2.288248246221206
Energy: 1.5739677721590182
Energy: 2.288248246221206
Energy: 1.3271669393909646
Energy: 2.3902388879894
Energy: 2.022694391340067
Energy: 2.390238887988182
Energy: 1.7016546641182078
Energy: 2.437844180878618
Energy: 1.524584919782565
Energy: 2.4378441808780096
Energy: 1.275255285226547
Energy: 2.3874628980949226
Energy: 1.9963144794590795
Energy: 2.387462898093705
Energy: 1.7158798706746632
Energy: 2.3124263386148245
Energy: 1.3363000834886185
Energy: 2.312426338614216
Energy: 1.3631419786008365
Energy: 2.4608520722987333
Energy: 1.961365093360138
Energy: 2.4608520722987333
Energy: 1.8229079540424378
Energy: 2.4607609970618274
Energy: 1.2248116479619193
Energy: 2.4607609970618274
Energy: 1.2272000026196876
Energy: 2.403257742158283
Energy: 1.865746759366815
Energy: 2.4032577421576744
Energy: 1.8425354796540983
Energy: 2.3342656841688925
Energy: 1.1197652582955528
Energy: 2.3342656841841047
Energy: 1.3912802584700912
Energy: 2.5869483377375326
Energy: 1.856365125946458
Energy: 2.5869483377393583
Energy: 1.9349420305399272
Energy: 2.363243122023053
Energy: 1.236794421479036
Energy: 2.3632431220242704
Energy: 1.4151438454197567
Energy: 2.3804286790592935
Energy: 1.7598859504705366
Energy: 2.3804286790592935
Energy: 1.9849947579402152
Energy: 2.2856350671555337
Energy: 1.5245475073073405
Energy: 2.285635067156143
Energy: 1.6994994704959547
Energy: 2.57553111963827
Energy: 1.6827434347833001
Energy: 2.5755311196370534
Energy: 2.03490915246777
Energy: 2.283221651167723
Energy: 1.2925617040602981
Energy: 2.283221651167723
Energy: 1.7525814599914045
Energy: 2.337923548482973
Energy: 1.9329521402346745
Energy: 2.337923548486623
Energy: 1.9990937217472688
Energy: 2.431056428922199
Energy: 1.2977298252594456
Energy: 2.431056428922199
Energy: 1.7012607974215297
Energy: 2.4661153885945737
Energy: 1.863667520866252
Energy: 2.4661153885915317
Energy: 2.0188789053252316
Energy: 2.4037423461510046
Energy: 1.3598572159870546
Energy: 2.4037423461491794
Energy: 1.4149757343751537
Energy: 2.452785326071965
Energy: 1.716967964898475
Energy: 2.452785326070748
Energy: 1.8523072351589562
Energy: 2.4966520992296686
Energy: 1.445792994102916
Energy: 2.496652099227843
Energy: 1.4030782856425252
Energy: 2.5163741903728463
Energy: 1.888119306546948
Energy: 2.516374190367978
Energy: 1.8614998652872101
Energy: 2.5250707515530912
Energy: 1.3024791586534783
Energy: 2.5250707515579593
Energy: 1.2077429733679832
Energy: 2.5686462414013356
Energy: 1.9140181144575867
Energy: 2.5686462414013356
Energy: 1.7305101438871389
Energy: 2.7573843598355205
Energy: 1.505653780162214
Energy: 2.7573843598355205
Energy: 1.4664870953411115
Energy: 2.50661641482261
Energy: 2.052021403279307
Energy: 2.5066164148244354
Energy: 1.7820866381830884
Energy: 2.471286896904992
Energy: 1.5925522616866015
Energy: 2.471286896898299
Energy: 1.4441250605068727
Energy: 2.215838843175924
Energy: 2.05282008206485
Energy: 2.215133705110686

minimum gb energy = 1.1197652582955528 eV
minimum distance =  2.31156196724733 Angstroms
sigma value = 113


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

Energy: 0.02053982119109887
Energy: 2.3535974217455284
Energy: 1.704093422773848
Energy: 2.3535974217455284
Energy: 1.3641404842777947
Energy: 2.1971081720946146
Energy: 0.4336585580989513
Energy: 2.197108172095966
Energy: 0.02053982119109887
Energy: 2.353597421745113
Energy: 1.5968768383413474
Energy: 2.353597421745113
Energy: 1.3641404842782625
Energy: 2.1971081720946146
Energy: 0.4336585580989513
Energy: 2.1971081720954984
Energy: 0.02053982119109887
Energy: 2.3535974217446456
Energy: 1.6183645695603508
Energy: 2.3535974217446456
Energy: 1.3641404842782625
Energy: 2.1971081720950822
Energy: 0.4336585580984835
Energy: 2.1971081720950822

minimum gb energy = 0.02053982119109887 eV
minimum distance =  2.45914922135807 Angstroms
sigma value = 1