Model name: model_name=SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.166686400771141
cohesive_energy=6.879122063701007
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.809422572263039e-20, 2.5556960359587597e-19, 3.90804526741914e-19, 5.00883674557518e-19, 5.92393595185062e-19, 6.698860724417399e-19, 7.36107237078228e-19, 7.92897990046992e-19, 8.41665042432684e-19, 8.83585994061294e-19, 9.19679829272046e-19, 9.508229386837378e-19, 9.7776033443118e-19, 1.001110456695096e-18, 1.0213699802320259e-18, 1.03892342743413e-18, 1.054062394448796e-18, 1.066998368591712e-18, 1.0778723414066698e-18, 1.0867804434917099e-18, 1.093692233490786e-18, 1.098437880680694e-18, 1.101180807078102e-18, 1.102070015109972e-18, 1.101108709129572e-18, 1.0979604320437619e-18, 1.092117293859564e-18, 1.082877541211286e-18, 1.069287879001698e-18, 1.050071372453502e-18, 1.02355855351407e-18, 9.87631344673254e-19, 9.396781980176339e-19, 8.765924930538839e-19, 7.94810988947988e-19, 6.90435589949424e-19, 5.59387154348028e-19, 3.9760897090651196e-19, 1.9940850604427399e-19, -4.4097829021225797e-20, -3.45265860273732e-19, -7.247542134497039e-19, -1.214579664879354e-18, -1.8632833600429798e-18, -2.7435352245289196e-18, -3.95966739856662e-18, -5.65906411071774e-18, -8.07556304071458e-18, -1.163987733307536e-17, -1.70723135589138e-17, -2.6662141801720798e-17, -4.6183702781030395e-17, -9.163873562891761e-17, -2.2039701994967396e-16]
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: 6.87704751902673 eV

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

Energy: 0.01728663937110741
Energy: 0.203041766763446
Energy: 3.224336574107103
Energy: 0.017286696214058924
Energy: 0.20304186818683587
Energy: 0.2030416570287115
Energy: 0.20304180414612885
Energy: 0.2030416570287115
Energy: 3.2243365741079204
Energy: 0.2030417934214249
Energy: 2.0084504026825507
Energy: 0.20304167816256533
Energy: 0.017286696214058924
Energy: 0.2030416570287115
Energy: 0.20304199160605202
Energy: 0.2030416570287115

minimum gb energy = 0.01728663937110741 eV
minimum distance =  2.69749799101946 Angstroms
sigma value = 1


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

Energy: 1.8416070292618933
Energy: 2.2128065868120554
Energy: 2.2014862917761913
Energy: 1.7992989243420567
Energy: 1.8229064658702343
Energy: 1.5921313971791948
Energy: 1.592142383692874
Energy: 1.5921313971791948
Energy: 1.8167597053833409
Energy: 1.5921183366154474
Energy: 1.5921399317011722
Energy: 1.5921183366154474
Energy: 1.8126265238558024
Energy: 1.5921322755959397
Energy: 1.592118217132983
Energy: 1.5921322755969312
Energy: 1.790637981234693
Energy: 1.7668959205232488
Energy: 2.389613681114001
Energy: 1.7668959205232488
Energy: 1.8126291119250033
Energy: 1.7669367621314078
Energy: 1.5921386624951617
Energy: 1.7669367621314078
Energy: 1.7346741563214427
Energy: 1.7669222324764504
Energy: 2.0452498368143215
Energy: 1.7669222324764504
Energy: 1.5921216744821596
Energy: 1.7697711328381591
Energy: 1.5921363719341741
Energy: 1.7697711328381591
Energy: 1.6683079428818066
Energy: 1.7905878041966121
Energy: 2.0357908202852584
Energy: 1.7905878041966121
Energy: 1.7053529933970109
Energy: 1.790581757577313
Energy: 1.7670259191992024
Energy: 1.790581757577313
Energy: 1.7053448597314984
Energy: 1.7905980331493736
Energy: 1.732682545055549
Energy: 1.7905980331493736
Energy: 1.5921284297394378
Energy: 1.7906119789787034
Energy: 1.7053539037463996
Energy: 1.7906119789787034
Energy: 2.045267320329191
Energy: 1.7670323550540754
Energy: 1.7053507221004625
Energy: 1.7670323550540754
Energy: 1.592140748755631
Energy: 1.7669348178638706
Energy: 1.8175941562056221
Energy: 1.7669348178638706
Energy: 1.592136193024586
Energy: 1.7669356220925978
Energy: 1.7886135745021956
Energy: 1.7669356220925978
Energy: 1.5921168994538617
Energy: 1.5921284129987716
Energy: 1.7894125661074787
Energy: 1.5921284129987716
Energy: 1.5921269208818398
Energy: 1.592110910210586
Energy: 1.8167561220416635
Energy: 1.592110910210586
Energy: 1.5921426081089574
Energy: 1.6702446484663833
Energy: 1.8176312989204353
Energy: 1.6702446484663833
Energy: 1.592129059294514
Energy: 1.6702464398037828
Energy: 1.789470320350289
Energy: 1.6702464398037828
Energy: 1.7371602891914342
Energy: 1.6702432673015546
Energy: 1.8115347940820785
Energy: 1.6702432673015546
Energy: 1.7371471203182234
Energy: 1.6702550459930696
Energy: 1.816768591805095
Energy: 1.6702550459930696
Energy: 1.7371468626912987
Energy: 1.7699529125005613
Energy: 1.7904339907049545
Energy: 1.7699529125005613
Energy: 1.7371464938140238
Energy: 1.7097441256258383
Energy: 1.7658172204279878
Energy: 1.7097441256258383
Energy: 1.5921551597336947
Energy: 1.7904424200248046
Energy: 1.7904226253389464
Energy: 1.7904424200248046
Energy: 1.5921342588619185
Energy: 1.7904384498752144
Energy: 1.7904427915258843
Energy: 1.7904384498752144
Energy: 1.5921431946445879
Energy: 1.7904128836123665
Energy: 1.6702341071037934
Energy: 1.7904128836123665
Energy: 1.5921375809441234
Energy: 1.7904280993116113
Energy: 1.5921276150769532
Energy: 1.7904280993116113
Energy: 1.790401702552206
Energy: 1.7904232213423077
Energy: 1.6702570941448387
Energy: 1.7904232213423077
Energy: 1.5948398573695535
Energy: 1.7904346126016129
Energy: 1.5921547364024489
Energy: 1.7904346126026038
Energy: 2.8068756381117286
Energy: 1.7904405842669298
Energy: 1.737120321858167
Energy: 1.7904405842669298
Energy: 1.7017153132212155
Energy: 1.6702563142359372
Energy: 1.737134792716201
Energy: 1.6702563142359372
Energy: 1.8741560880191603
Energy: 1.6702638131929377
Energy: 1.7371580175311667
Energy: 1.6702638131929377
Energy: 1.7642651026425071
Energy: 1.6702586003132511
Energy: 1.7371700312885816
Energy: 1.6702586003132511

minimum gb energy = 1.592110910210586 eV
minimum distance =  2.41181711179152 Angstroms
sigma value = 1


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

Energy: 3.5435491607916836
Energy: 1.6640316771479404
Energy: 1.6639899783310856
Energy: 1.8333340830315636
Energy: 1.9548534816065477
Energy: 1.6640486338038734
Energy: 1.6640184329827206
Energy: 1.6640486338038734
Energy: 3.0624784210527083
Energy: 1.6640200481791443
Energy: 1.6639607285317406
Energy: 1.6640200481791443
Energy: 1.8952169697690258
Energy: 1.7925410453265993
Energy: 1.6640212917003268
Energy: 1.7925410453265993
Energy: 1.7913312743781478
Energy: 1.7925424315658376
Energy: 1.664032886519855
Energy: 1.7925424315658376
Energy: 1.812376793390642
Energy: 1.7925690906040863
Energy: 2.020538345054548
Energy: 1.7925690906040863
Energy: 1.7030169720448365
Energy: 1.792564374746367
Energy: 2.020561116952386
Energy: 1.792564374746367
Energy: 1.792528472148494
Energy: 1.7925382724719001
Energy: 2.0204712046717397
Energy: 1.7925382724719001
Energy: 1.664004616716117
Energy: 1.8785695878888646
Energy: 1.7800051873544582
Energy: 1.8785695878888646
Energy: 2.708363870229981
Energy: 1.8785851125717756
Energy: 1.79247549619043
Energy: 1.878585112572906
Energy: 1.6640114578467793
Energy: 1.878115667399269
Energy: 2.3615163227264087
Energy: 1.878115667399269
Energy: 2.020459032044394
Energy: 1.8784673340500935
Energy: 2.36155315092306
Energy: 1.8784673340512237
Energy: 2.020550788376926
Energy: 1.7925345705127615
Energy: 1.7925385484045133
Energy: 1.7925345705127615
Energy: 2.0205205818335656
Energy: 1.7925772692316004
Energy: 1.8952552253202946
Energy: 1.7925772692316004
Energy: 1.6640546578548143
Energy: 1.7925315734492604
Energy: 1.8732014038542866
Energy: 1.7925315734492604
Energy: 1.6640183831851831
Energy: 1.6640458141319314
Energy: 1.8732106996720794
Energy: 1.6640458141319314
Energy: 1.6640175997870064
Energy: 1.6640245968538796
Energy: 1.8939213190187014
Energy: 1.6640245968538796
Energy: 1.6640322464170414
Energy: 1.7925556090424262
Energy: 1.895219355492256
Energy: 1.7925556090424262
Energy: 1.6640208906908867
Energy: 1.7925428315381595
Energy: 1.7913301079224282
Energy: 1.7925428315381595
Energy: 2.0205605014952903
Energy: 1.7925421292092958
Energy: 1.8931763283782375
Energy: 1.7925421292092958
Energy: 2.0204763754058925
Energy: 1.7925642816360674
Energy: 1.8952193455740545
Energy: 1.7925642816360674
Energy: 2.0205081610498925
Energy: 1.7925311205137944
Energy: 1.7925195929703774
Energy: 1.792531120514925
Energy: 2.0204800754230354
Energy: 1.7925491063596712
Energy: 1.792549777748903
Energy: 1.7925491063596712
Energy: 1.663978160391865
Energy: 1.8781603247457639
Energy: 1.7925009790886703
Energy: 1.8781603247457639
Energy: 2.361570685974341
Energy: 1.8781251087459763
Energy: 1.792535394625229
Energy: 1.8781251087459763
Energy: 2.3615439479579696
Energy: 1.8784530817977902
Energy: 2.0204546610481504
Energy: 1.8784530817977902
Energy: 1.6640095470068494
Energy: 1.7924967568174133
Energy: 1.6639525453501445
Energy: 1.7924967568174133
Energy: 1.8123458392071465
Energy: 1.7925628947810932
Energy: 2.020517487689771
Energy: 1.7925628947810932
Energy: 3.0422337805795037
Energy: 1.7925276016796745
Energy: 1.6640459343417995
Energy: 1.7925276016796745

minimum gb energy = 1.6639525453501445 eV
minimum distance =  2.45214320903588 Angstroms
sigma value = 25


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

Energy: 2.0710331830475255
Energy: 2.3575068825917365
Energy: 2.4708262158693306
Energy: 2.0500106915080916
Energy: 2.0476951276191957
Energy: 1.7944321194505368
Energy: 1.7944421466764189
Energy: 1.7944321194505368
Energy: 1.9766163997883053
Energy: 1.794427195907012
Energy: 1.7944355835022934
Energy: 1.794427195907012
Energy: 1.9767143859533904
Energy: 1.7944251665751807
Energy: 1.7944054571297998
Energy: 1.7944251665751807
Energy: 1.7934440706929322
Energy: 1.7944161530597833
Energy: 2.651216340037641
Energy: 1.7944161530597833
Energy: 2.04765523091265
Energy: 1.9919066587505443
Energy: 2.4200393264626863
Energy: 1.9919066587505443
Energy: 2.0479625483423396
Energy: 1.9918841143241424
Energy: 2.4197957604147042
Energy: 1.9918841143241424
Energy: 2.4199264638935922
Energy: 1.9918484458307826
Energy: 2.4199115290573756
Energy: 1.9918484458307826
Energy: 1.7944229284505395
Energy: 1.9915873963808455
Energy: 1.7943976393745815
Energy: 1.9915873963808455
Energy: 2.4200360093490243
Energy: 1.9919073031634822
Energy: 1.9766977292031795
Energy: 1.9919073031634822
Energy: 1.7944366237391884
Energy: 1.8942846781550953
Energy: 1.781211252617038
Energy: 1.8942846781550953
Energy: 1.7944049349921376
Energy: 1.7944176461016081
Energy: 3.000118700063242
Energy: 1.7944176461016081
Energy: 1.7943454578028935
Energy: 1.7944231595868616
Energy: 1.9766949849147677
Energy: 1.7944231595868616
Energy: 1.7944717808719932
Energy: 1.7944299999632733
Energy: 1.9767321293531819
Energy: 1.7944299999632733
Energy: 1.7944335848469837
Energy: 1.9000449252547285
Energy: 1.7932389595104865
Energy: 1.9000449252547285
Energy: 2.0125556903971265
Energy: 1.9000123662260928
Energy: 1.974375009585884
Energy: 1.9000123662260928
Energy: 2.0125058533132174
Energy: 1.9000017754562204
Energy: 1.9767236000349542
Energy: 1.9000017754562204
Energy: 2.012435080503521
Energy: 1.901009256653646
Energy: 1.7944105225131188
Energy: 1.901009256653646
Energy: 2.012439342145944
Energy: 1.900015874193941
Energy: 1.7934407949790592
Energy: 1.900015874193941
Energy: 1.7944207027301848
Energy: 1.9000109747353866
Energy: 1.794414175288867
Energy: 1.9000109747353866
Energy: 2.615699860019151
Energy: 1.8999986137502785
Energy: 1.7944439160432313
Energy: 1.8999986137515923
Energy: 2.6156931856791243
Energy: 1.9000098767636673
Energy: 2.012432745743519
Energy: 1.9000098767636673
Energy: 1.7944035520077866
Energy: 1.8999710121107327
Energy: 2.007092006153542
Energy: 1.8999710121107327
Energy: 1.9766822077807926
Energy: 1.8999586428556228
Energy: 2.012534517535798
Energy: 1.8999586428556228
Energy: 1.7803166464886089
Energy: 1.9000384609971976
Energy: 1.7944450898158166
Energy: 1.9000384609971976

minimum gb energy = 1.7803166464886089 eV
minimum distance =  2.41906474152165 Angstroms
sigma value = 9


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

Energy: 3.0629500551586286
Energy: 2.17122805402457
Energy: 2.170127654676382
Energy: 2.0633353229975278
Energy: 2.855580365240899
Energy: 1.8817073178782706
Energy: 1.8824541056173436
Energy: 1.8817073178782706
Energy: 2.8553743073829274
Energy: 1.8817885658283122
Energy: 1.8823246426151756
Energy: 1.8817885658361493
Energy: 2.8555986883652245
Energy: 1.8813019400375404
Energy: 1.8824421225357608
Energy: 1.881301940040675
Energy: 2.3776107703019393
Energy: 1.8811423975161832
Energy: 1.881780492271762
Energy: 1.8811423974942396
Energy: 2.8556576803848426
Energy: 1.8813735987787121
Energy: 1.880947642206499
Energy: 1.8813735987756128
Energy: 2.855636252045514
Energy: 1.9724447833784133
Energy: 1.8683445298402879
Energy: 1.9724447833784133
Energy: 2.3792134853287337
Energy: 1.9723775456475208
Energy: 2.3792285219792118
Energy: 1.9723775456475208
Energy: 2.3792814816237065
Energy: 1.9724401160397964
Energy: 2.8557303744750513
Energy: 1.9724401160397964
Energy: 2.3794064761243927
Energy: 1.9725082267176297
Energy: 2.8555829401202124
Energy: 1.9725082267176297
Energy: 1.8817130751934232
Energy: 1.8817405204461681
Energy: 2.8221769867592963
Energy: 1.8817405204398983
Energy: 1.8822997474299425
Energy: 1.8823165146253762
Energy: 2.822174384508276
Energy: 1.8823165146253762
Energy: 1.8824591103704549
Energy: 1.8823367068922847
Energy: 2.855571168794737
Energy: 1.8823367068922847
Energy: 1.8824627252972377
Energy: 1.8814619508127546
Energy: 2.855572172908482
Energy: 1.8814619508284287
Energy: 1.8826984608609332
Energy: 1.882315644304207
Energy: 2.3776047521289105
Energy: 1.882315644304207
Energy: 2.379159608072422
Energy: 1.88174517008584
Energy: 2.8556419819403702
Energy: 1.88174517008584
Energy: 1.868362826742837
Energy: 1.9724550495688347
Energy: 2.8556134167558946
Energy: 1.9724550495688347
Energy: 1.868290243325581
Energy: 1.9724130044555168
Energy: 2.3791734296457556
Energy: 1.9724130044555168
Energy: 2.379107899133262
Energy: 1.972713155375317
Energy: 2.3791793085615334
Energy: 1.972713155375317
Energy: 2.8557328974591134
Energy: 1.9724581434378496
Energy: 2.3793699256258836
Energy: 1.9724581434378496
Energy: 2.822196852483064
Energy: 1.8812798421553207
Energy: 1.8817060061799056
Energy: 1.8812798421553207

minimum gb energy = 1.868290243325581 eV
minimum distance =  2.56858248358717 Angstroms
sigma value = 25


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

Energy: 2.762440844223517
Energy: 2.2887676435136575
Energy: 2.1309989188965472
Energy: 2.136118836689493
Energy: 2.194252325476638
Energy: 2.0984451045748154
Energy: 2.099037931042307
Energy: 2.0984451045748154
Energy: 2.7492804738677554
Energy: 2.0979713881289945
Energy: 2.099210194023258
Energy: 2.0979713881289945
Energy: 2.749379916281559
Energy: 2.098513055820624
Energy: 2.099135720501498
Energy: 2.098513055820624
Energy: 2.4297324921327568
Energy: 2.09845960008094
Energy: 2.8528267677126933
Energy: 2.09845960008094
Energy: 2.7494488024052206
Energy: 2.303112184598425
Energy: 2.7492774268638094
Energy: 2.303112184598425
Energy: 2.6883488332050702
Energy: 2.098008898030156
Energy: 2.7242242035756443
Energy: 2.098008898030156
Energy: 2.0990294157668936
Energy: 2.098529963724318
Energy: 2.7243740186311287
Energy: 2.098529963724318
Energy: 2.0990205080463684
Energy: 2.097978691269061
Energy: 2.749300451959734
Energy: 2.097978691269061
Energy: 2.099034293609408
Energy: 2.0984563948046735
Energy: 2.1942308046846994
Energy: 2.0984563948046735
Energy: 2.0988724849511273
Energy: 2.129751314594842
Energy: 2.1931781997202306
Energy: 2.129751314594842
Energy: 2.09808781047196
Energy: 2.1684446742208645
Energy: 2.7469793140685543
Energy: 2.1684446742208645
Energy: 2.4317991207354934
Energy: 2.221258955595945
Energy: 2.749397018776396
Energy: 2.221258955595945
Energy: 2.431478550688261
Energy: 2.221158521325653
Energy: 2.4316876592559424
Energy: 2.221158521325653
Energy: 2.4316867025519415
Energy: 2.16838063742324
Energy: 2.431741964355104
Energy: 2.16838063742324
Energy: 2.1942299169022417
Energy: 2.221981501785522
Energy: 2.431142208092581
Energy: 2.221981501785522
Energy: 2.7209920438886237
Energy: 2.0984546115129223
Energy: 2.130135955418012
Energy: 2.0984546115129223

minimum gb energy = 2.0979713881289945 eV
minimum distance =  2.5175779818053 Angstroms
sigma value = 17


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

Energy: 2.4781028944921886
Energy: 2.1665471741971443
Energy: 2.195287144600273
Energy: 2.1691856015759656
Energy: 2.1478741439111695
Energy: 2.166499780071022
Energy: 2.1953721165270235
Energy: 2.166499780071022
Energy: 2.6226781453409815
Energy: 2.1667563116801762
Energy: 2.1950441066397803
Energy: 2.1667563116801762
Energy: 2.622454017727258
Energy: 2.1666688080640486
Energy: 2.1953774175764207
Energy: 2.1666688080640486
Energy: 2.1477707272677815
Energy: 2.16661187682111
Energy: 2.6434565207527663
Energy: 2.16661187682111
Energy: 2.622786636736707
Energy: 2.210912669091803
Energy: 2.2586685185728888
Energy: 2.210912669091803
Energy: 2.147804247774121
Energy: 2.1749804192282904
Energy: 2.6589796146819276
Energy: 2.1749804192282904
Energy: 2.168425090807426
Energy: 2.147757321544105
Energy: 2.2344455425501666
Energy: 2.147757321544105
Energy: 2.168518273601603
Energy: 2.1479075424054073
Energy: 2.297319832988263
Energy: 2.1479075424054073
Energy: 2.169106401430306
Energy: 2.147729830808515
Energy: 2.698890826687147
Energy: 2.147729830808515
Energy: 2.1688738504838203
Energy: 2.1477731951281966
Energy: 2.6217079295014214
Energy: 2.1477731951281966
Energy: 2.6543540688539884
Energy: 2.23527597738063
Energy: 2.6989523046455886
Energy: 2.23527597738063
Energy: 2.6600804688287405
Energy: 2.1477619242360535
Energy: 2.6543413571675893
Energy: 2.1477619242360535
Energy: 2.6600912331453825
Energy: 2.147739059418223
Energy: 2.168414149427239
Energy: 2.147739059418223
Energy: 2.698884356468668
Energy: 2.147862806407273
Energy: 2.1690848242779306
Energy: 2.147862806407273
Energy: 2.2973352866269248
Energy: 2.147795366185248
Energy: 2.169113177266665
Energy: 2.147795366186345
Energy: 2.201502046488101
Energy: 2.1477786887912305
Energy: 2.19607924913514
Energy: 2.1477786887912305
Energy: 2.172691929806189
Energy: 2.1477485717685565
Energy: 2.2483645270415242
Energy: 2.1477485717685565
Energy: 2.217016121491596
Energy: 2.211041955930037
Energy: 2.6226927393073933
Energy: 2.211041955930037
Energy: 2.1953511450140852
Energy: 2.1665646448942217
Energy: 2.567360482749036
Energy: 2.1665646448942217
Energy: 2.195358865583649
Energy: 2.1666778107202607
Energy: 2.622629094040136
Energy: 2.1666778107202607
Energy: 2.19506961194618
Energy: 2.1667608484988454
Energy: 2.6376600922766404
Energy: 2.1667608484988454
Energy: 2.1948122771877316
Energy: 2.1665260215517876
Energy: 2.257533060714556
Energy: 2.1665260215517876
Energy: 2.1665690105968665
Energy: 2.341759251798512
Energy: 2.1721002859689706
Energy: 2.341759251798512
Energy: 2.1666144414124706
Energy: 2.215062642662708
Energy: 2.205971860217555
Energy: 2.215062642662708
Energy: 2.393669000757216
Energy: 2.1665644066715313
Energy: 2.6226506950646806
Energy: 2.1665644066715313
Energy: 2.393730035340225
Energy: 2.2151669019951163
Energy: 2.393707610987739
Energy: 2.2151669019951163
Energy: 2.6226843373844684
Energy: 2.166527555855225
Energy: 2.393725050763427
Energy: 2.166527555855225
Energy: 2.1623280222077685
Energy: 2.16657699824309
Energy: 2.1666549088020814
Energy: 2.16657699824309
Energy: 2.6193598764889017
Energy: 2.294162569973664
Energy: 2.166607002843159
Energy: 2.294162569973664

minimum gb energy = 2.147729830808515 eV
minimum distance =  2.5263687118126 Angstroms
sigma value = 53


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

Energy: 2.053386500271702
Energy: 1.9648847595835588
Energy: 2.084924690051539
Energy: 1.9576257319256385
Energy: 2.2964818084609444
Energy: 1.9643353726888755
Energy: 2.0837470157853932
Energy: 1.9643353726888755
Energy: 2.294738163713185
Energy: 1.98533672128947
Energy: 2.084962805689124
Energy: 1.9853367212869426
Energy: 2.2947077063195955
Energy: 1.9629607751076001
Energy: 2.084524123359923
Energy: 1.9629607751177096
Energy: 2.294574229160166
Energy: 1.9878261044598717
Energy: 2.2953721129351736
Energy: 1.9878261044598717
Energy: 2.294367870844756
Energy: 1.9649913845055658
Energy: 2.296639284449183
Energy: 1.9649913845055658
Energy: 2.294717220933741
Energy: 1.9848289200357518
Energy: 2.053860699402106
Energy: 1.9848289201039326
Energy: 2.0835261394292575
Energy: 1.9650408104274055
Energy: 2.0537405153268598
Energy: 1.9650408104274055
Energy: 2.0848453769065864
Energy: 1.9879563279487769
Energy: 2.293446009316698
Energy: 1.9879563279487769
Energy: 2.0838208218714898
Energy: 1.9643953144568753
Energy: 2.2964782851240373
Energy: 1.9643953144568753
Energy: 2.0848028902791427
Energy: 1.9877213114466163
Energy: 2.2951968465391532
Energy: 1.9877213114466163
Energy: 2.2950139638748457
Energy: 1.9848640284683645
Energy: 2.295366501856598
Energy: 1.9848640284835286
Energy: 2.0537382650356135
Energy: 1.984617158595161
Energy: 2.296033313605524
Energy: 1.9846171585168135

minimum gb energy = 1.9576257319256385 eV
minimum distance =  2.56436265632803 Angstroms
sigma value = 9


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

Energy: 2.9441555089997755
Energy: 2.418234876442698
Energy: 2.5116034486127927
Energy: 2.2493523479495536
Energy: 2.314552186162222
Energy: 2.2227955869208738
Energy: 2.4103081613567494
Energy: 2.2227955869208738
Energy: 2.4102540126194203
Energy: 2.222924613148104
Energy: 2.409355984756087
Energy: 2.222924613148104
Energy: 2.4104197338008575
Energy: 2.223019160209281
Energy: 2.409366347404945
Energy: 2.223019160209281
Energy: 2.4093250192331284
Energy: 2.222858564754655
Energy: 2.4103269553098885
Energy: 2.222858564754655
Energy: 2.4103819249017393
Energy: 2.22288342721723
Energy: 2.3145379619993847
Energy: 2.22288342721723
Energy: 2.5328059372557883
Energy: 2.3631705224161585
Energy: 2.1655168611696043
Energy: 2.3631705224161585
Energy: 2.2229627170291004
Energy: 2.222918231850684
Energy: 2.1655254848689047
Energy: 2.222918231850684
Energy: 2.223011884807872
Energy: 2.2229956605221286
Energy: 2.3145133894856214
Energy: 2.2229956605211934
Energy: 2.4915715191076586
Energy: 2.1673198881364413
Energy: 2.314659211959976
Energy: 2.1673198881364413
Energy: 2.6239531699746426
Energy: 2.222897121251344
Energy: 2.3145002751209747
Energy: 2.222897121251344
Energy: 2.5386432906795116
Energy: 2.1672366506806378
Energy: 2.3147785292940513
Energy: 2.1672366506806378
Energy: 2.1660761020016577
Energy: 2.167364199232598
Energy: 2.314655345792538
Energy: 2.167364199232598
Energy: 2.1660798988597088
Energy: 2.1671825815394996
Energy: 2.2229097869076377
Energy: 2.1671825815394996
Energy: 2.5386245694111067
Energy: 2.1672181514307503
Energy: 2.1672077013101756
Energy: 2.1672181514307503
Energy: 2.1616951655696144
Energy: 2.1672555742569135
Energy: 2.246789920325616
Energy: 2.1672555742569135
Energy: 2.3113414514199064
Energy: 2.1672146575806184
Energy: 2.167246920034674
Energy: 2.1672146575806184
Energy: 2.2978160262533476
Energy: 2.1673498338489265
Energy: 2.758595659714236
Energy: 2.1673498338489265
Energy: 2.297852350657367
Energy: 2.1673630248093474
Energy: 2.167200023732408
Energy: 2.1673630248093474
Energy: 2.696935160697493
Energy: 2.167242967375405
Energy: 2.166108794613711
Energy: 2.167242967375405
Energy: 2.2110734797139253
Energy: 2.1673074107518735
Energy: 2.1671835650178743
Energy: 2.1673074107518735
Energy: 2.1610425143305325
Energy: 2.167216408284002
Energy: 2.1673154736284164
Energy: 2.167216408284002
Energy: 2.210843187696362
Energy: 2.161473290114335
Energy: 2.2978340033518694
Energy: 2.161473290114335
Energy: 2.2140439137868833
Energy: 2.167308677120786
Energy: 2.2993714756203167
Energy: 2.167308677120786
Energy: 2.214045876178995
Energy: 2.1671603825225376
Energy: 2.2993839238442013
Energy: 2.1671603825225376
Energy: 2.2217827167806647
Energy: 2.1672447136796342
Energy: 2.2978115410371975
Energy: 2.1672447136796342
Energy: 2.214004367659534
Energy: 2.1817181910447903
Energy: 2.161688303636552
Energy: 2.1817181910447903
Energy: 2.167226213985682
Energy: 2.167395391579963
Energy: 2.161071251728029
Energy: 2.167395391579963
Energy: 2.314496633174906
Energy: 2.1672474336438627
Energy: 2.159851044222183
Energy: 2.1672474336438627
Energy: 2.31459033427882
Energy: 2.1672808699573713
Energy: 2.1671744345198594
Energy: 2.1672808699573713
Energy: 2.3147710427359933
Energy: 2.222854446485148
Energy: 2.6408508911441744
Energy: 2.222854446485148
Energy: 2.3147045884747968
Energy: 2.2228928635047374
Energy: 2.222931607409258
Energy: 2.2228928635047374
Energy: 2.3145500826511514
Energy: 2.16733168508325
Energy: 2.22287256961137
Energy: 2.16733168508325
Energy: 2.3145549706037585
Energy: 2.2229281346040106
Energy: 2.222883072944433
Energy: 2.2229281346040106
Energy: 2.804238735426556
Energy: 2.227908811590415
Energy: 2.2665675070787494
Energy: 2.227908811590415

minimum gb energy = 2.159851044222183 eV
minimum distance =  2.48219539066579 Angstroms
sigma value = 73


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

Energy: 3.0525272855222316
Energy: 2.2368708664726604
Energy: 2.463503220799804
Energy: 2.2695563499729796
Energy: 2.3284018664483415
Energy: 2.2369925614118817
Energy: 2.464251149925157
Energy: 2.236992561417818
Energy: 2.464302815420329
Energy: 2.2378140834077542
Energy: 2.4642328718337607
Energy: 2.237814083412173
Energy: 2.4636462221625095
Energy: 2.2378896022575003
Energy: 2.464386737718642
Energy: 2.2378896022471118
Energy: 2.464500207212621
Energy: 2.236945896026504
Energy: 2.463805633244055
Energy: 2.236945896026504
Energy: 2.464325585315258
Energy: 2.2368278122599863
Energy: 2.328452591770063
Energy: 2.2368278122599863
Energy: 2.6117274421746983
Energy: 2.524022922882268
Energy: 2.2112540857576213
Energy: 2.524022922882268
Energy: 2.2367899021806332
Energy: 2.2367962894919216
Energy: 2.194609470233362
Energy: 2.2367962894919216
Energy: 2.7656112044061447
Energy: 2.2368442403483892
Energy: 2.32855891368441
Energy: 2.2368442403483892
Energy: 2.587843126594769
Energy: 2.2129070973289666
Energy: 2.328590367432114
Energy: 2.2129070973289666
Energy: 2.7654471159328438
Energy: 2.2367916861538757
Energy: 2.3284496852037844
Energy: 2.2367916861316477
Energy: 2.8460938431295846
Energy: 2.2128168859503146
Energy: 2.32866138724206
Energy: 2.2128168859503146
Energy: 2.23678639167143
Energy: 2.1965639546822384
Energy: 2.3286855094937557
Energy: 2.1965639546822384
Energy: 2.2367914033521274
Energy: 2.1966072368963325
Energy: 2.848297212343676
Energy: 2.1966072368963325
Energy: 2.846431665754815
Energy: 2.2129318363907555
Energy: 2.212876243778235
Energy: 2.2129318363907555
Energy: 2.2288599390017163
Energy: 2.212862353140249
Energy: 2.193166696959279
Energy: 2.212862353140249
Energy: 2.391816991895343
Energy: 2.2129513162497054
Energy: 2.8776797225098627
Energy: 2.2129513162497054
Energy: 2.328532134495031
Energy: 2.2128747689435593
Energy: 2.7854787442181643
Energy: 2.2128747689435593
Energy: 2.328660404051582
Energy: 2.236847188661841
Energy: 2.765574239897025
Energy: 2.236847188661841
Energy: 2.3284615416272327
Energy: 2.1968048642215483
Energy: 2.236794469110411
Energy: 2.196804864223033
Energy: 2.328524564803342
Energy: 2.2368527276384134
Energy: 2.7656662030106864
Energy: 2.2368527276384134
Energy: 2.272503898189341
Energy: 2.2128561180143302
Energy: 2.23680549435076
Energy: 2.2128561180143302

minimum gb energy = 2.193166696959279 eV
minimum distance =  2.49789838685843 Angstroms
sigma value = 7


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

Energy: 2.2524870338467284
Energy: 2.2787048756112678
Energy: 2.5011640814708205
Energy: 2.266408453049207
Energy: 2.2786390086098463
Energy: 2.273568376964601
Energy: 2.501074075460525
Energy: 2.273568376964601
Energy: 2.500857699448806
Energy: 2.2741583753913486
Energy: 2.5011515066250944
Energy: 2.2741583753913486
Energy: 2.501285204988601
Energy: 2.274227703447691
Energy: 2.500903105128692
Energy: 2.274227703447691
Energy: 2.5008842842828303
Energy: 2.274104615943701
Energy: 2.5004866572248847
Energy: 2.274104615943701
Energy: 2.5013578288137936
Energy: 2.272396306901311
Energy: 2.278770120976272
Energy: 2.272396306901311
Energy: 2.501032888190067
Energy: 2.278768979288558
Energy: 2.374846498010201
Energy: 2.278768979288558
Energy: 2.8031284221585535
Energy: 2.273522833151907
Energy: 2.374839520244849
Energy: 2.2735228331529562
Energy: 2.354443891228409
Energy: 2.2736774780031292
Energy: 2.278709170910205
Energy: 2.2736774780031292
Energy: 2.665156584981015
Energy: 2.273686719843135
Energy: 2.2735918040670864
Energy: 2.273686719843135
Energy: 2.802971395168486
Energy: 2.2736818714686016
Energy: 2.3594722454297354
Energy: 2.2736818714686016
Energy: 2.8029323911160247
Energy: 2.2735864866215447
Energy: 2.3593370332614354
Energy: 2.2735864866215447
Energy: 2.274070770476605
Energy: 2.2737118968137326
Energy: 2.359359597768727
Energy: 2.2737118968137326
Energy: 2.35438413770729
Energy: 2.27371661569363
Energy: 2.614184515222758
Energy: 2.27371661569363
Energy: 2.8028785884482286
Energy: 2.2736298036866573
Energy: 2.2787184008445216
Energy: 2.2736298036866573
Energy: 2.803097650182384
Energy: 2.287882761244631
Energy: 2.2524416621089576
Energy: 2.287882761244631
Energy: 2.5684655347077285
Energy: 2.272439671318432
Energy: 2.252557923348321
Energy: 2.272439671318432
Energy: 2.5009503952692267
Energy: 2.2736462168904357
Energy: 2.5004871825839174
Energy: 2.2736462168904357
Energy: 2.5008917343216432
Energy: 2.274063564108131
Energy: 2.500779752139222
Energy: 2.274063564108131
Energy: 2.5010415064059073
Energy: 2.2739552909779253
Energy: 2.5009103821936565
Energy: 2.2739552909779253
Energy: 2.2566864056976415
Energy: 2.2736515247065783
Energy: 2.5005715863645173
Energy: 2.2736515247065783
Energy: 2.270298458805973
Energy: 2.278792834317802
Energy: 2.5685750167584738
Energy: 2.278792834317802
Energy: 2.331047790780605
Energy: 2.2787778155644576
Energy: 2.2787713496392015
Energy: 2.2787778155644576
Energy: 2.279122288756833
Energy: 2.272395533739078
Energy: 2.2740081181251632
Energy: 2.272395533739078
Energy: 2.614208971027824
Energy: 2.2737006524814185
Energy: 2.664926506407905
Energy: 2.2737006524814185
Energy: 2.359194453094155
Energy: 2.273767555850111
Energy: 2.6651972445627243
Energy: 2.273767555850111
Energy: 2.3603923391487998
Energy: 2.2956565474198065
Energy: 2.7644360582281284
Energy: 2.2956565474198065
Energy: 2.359182104028846
Energy: 2.272502505749698
Energy: 2.2740411778121135
Energy: 2.272502505749698
Energy: 2.6141697889402957
Energy: 2.27368985435493
Energy: 2.2737523495906213
Energy: 2.27368985435493
Energy: 2.256923925159514
Energy: 2.2723944003349272
Energy: 2.8030943688744228
Energy: 2.2723944003349272
Energy: 2.252598291632878
Energy: 2.287933311409852
Energy: 2.272427558538776
Energy: 2.287933311409852

minimum gb energy = 2.2524416621089576 eV
minimum distance =  2.50409176100913 Angstroms
sigma value = 29


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

Energy: 2.8957979288364952
Energy: 2.5129819690470163
Energy: 2.5484579765550555
Energy: 2.1397752406885537
Energy: 2.569677450877809
Energy: 2.118154263415724
Energy: 2.4419813097310548
Energy: 2.118154263454674
Energy: 2.439208738247085
Energy: 2.1181106495975435
Energy: 2.439211013400363
Energy: 2.1181106496289805
Energy: 2.4389799755873507
Energy: 2.1186236639871248
Energy: 2.1710085110062303
Energy: 2.1186236639878557
Energy: 2.4392508294229036
Energy: 2.118555259775474
Energy: 2.4397529165470755
Energy: 2.1185552597729966
Energy: 2.4417321888066357
Energy: 2.1189679830004384
Energy: 2.441642102465743
Energy: 2.118967983000114
Energy: 2.549296726597989
Energy: 2.5121316048038387
Energy: 2.4366169803930826
Energy: 2.5121316048038387
Energy: 2.608574016469738
Energy: 2.1168562569892697
Energy: 2.4424322215646095
Energy: 2.11685625698533
Energy: 2.675062148498006
Energy: 2.117102669819516
Energy: 2.569415303622094
Energy: 2.1171026697502247

minimum gb energy = 2.11685625698533 eV
minimum distance =  2.48798917166878 Angstroms
sigma value = 5


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

Energy: 3.0109152796767766
Energy: 2.745347674590916
Energy: 2.7468391509009624
Energy: 2.63050011793797
Energy: 2.126759147574381
Energy: 2.184399564861643
Energy: 2.445462398570312
Energy: 2.184399564861643
Energy: 2.2756948401953196
Energy: 2.113475985833319
Energy: 2.105907787192185
Energy: 2.113475985833319
Energy: 2.275924509252272
Energy: 2.113463423852056
Energy: 2.705539644407433
Energy: 2.113463423852056
Energy: 2.2757534570508575
Energy: 2.1134934863128003
Energy: 2.105433465574432
Energy: 2.1134934863128003
Energy: 2.3309700145295635
Energy: 2.0817149675774376
Energy: 2.6051222794864484
Energy: 2.0817149675774376
Energy: 2.331062693665921
Energy: 2.0774828160500287
Energy: 2.605229713644013
Energy: 2.0774828160500287
Energy: 2.3310150372207445
Energy: 2.086467070045149
Energy: 2.605183343855963
Energy: 2.086467070045149
Energy: 2.3309165010363886
Energy: 2.084980078044592
Energy: 2.4314148840843797
Energy: 2.084980078044592
Energy: 2.354552395529932
Energy: 2.466161451516299
Energy: 2.4662068463922444
Energy: 2.466161451516299
Energy: 2.330914500122114
Energy: 2.0834165173531214
Energy: 2.330949033301643
Energy: 2.0834165173531214
Energy: 2.350888935152986
Energy: 2.0842843248354153
Energy: 2.063079942046759
Energy: 2.0842843248354153
Energy: 2.5097262473370296
Energy: 2.3443440225008225
Energy: 2.06540414379669
Energy: 2.3443440225008225
Energy: 2.3578584663627953
Energy: 2.099580893627788
Energy: 2.330947876271457
Energy: 2.099580893627788
Energy: 2.605250045423344
Energy: 2.081964736966446
Energy: 2.3310449942227036
Energy: 2.081964736966446
Energy: 2.6052061702312215
Energy: 2.085231558062041
Energy: 2.3311177603549362
Energy: 2.085231558062041
Energy: 2.605158732487794
Energy: 2.0777075838583166
Energy: 2.3310209492647322
Energy: 2.0777075838583166
Energy: 2.150668190091237
Energy: 2.113657183844026
Energy: 2.275816371481384
Energy: 2.113657183844026
Energy: 2.105149301099798
Energy: 2.1134043512431946
Energy: 2.275809310310391
Energy: 2.1134043512431946
Energy: 2.1068472973004018
Energy: 2.113492109913041
Energy: 2.2756792743630294
Energy: 2.113492109913041
Energy: 2.683822025496943
Energy: 2.5172827531609383
Energy: 2.064712220582187
Energy: 2.5172827531609383
Energy: 2.793931924523946
Energy: 2.517045008149423
Energy: 2.0647084724388614
Energy: 2.517045008149423
Energy: 2.107103271549899
Energy: 2.113430223512895
Energy: 2.275690566122645
Energy: 2.113430223512895
Energy: 2.1388771672842926
Energy: 2.239455846667547
Energy: 2.3276175835709925
Energy: 2.239455846667547
Energy: 2.5007334739711746
Energy: 2.1134633262112446
Energy: 2.3276384071483154
Energy: 2.1134633262112446
Energy: 2.4330266758831187
Energy: 2.066518785731961
Energy: 2.433136936376303
Energy: 2.066518785731961
Energy: 2.4330906167161235
Energy: 2.066514343213195
Energy: 2.4331650759097876
Energy: 2.066514343213195
Energy: 2.43315820401081
Energy: 2.066488898942706
Energy: 2.4330764087633083
Energy: 2.066488898942706
Energy: 2.2912439768917463
Energy: 2.184349938451866
Energy: 2.4330225405869967
Energy: 2.184349938451866
Energy: 2.3275633151961723
Energy: 2.2394922943648234
Energy: 2.078003507338767
Energy: 2.2394922943648234
Energy: 2.327594807401872
Energy: 2.239463473603669
Energy: 2.078114511723897
Energy: 2.239463473603669
Energy: 2.2757118144333255
Energy: 2.113454350132019
Energy: 2.0794327154507215
Energy: 2.113454350132019
Energy: 2.1048646787461216
Energy: 2.642299345978651
Energy: 2.7602861366076468
Energy: 2.642299345978651

minimum gb energy = 2.063079942046759 eV
minimum distance =  2.40368109420005 Angstroms
sigma value = 1


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

Energy: 3.3298173094198686
Energy: 2.3885010151174266
Energy: 2.4432611559342314
Energy: 2.010821844942991
Energy: 2.2377041342953246
Energy: 1.9803799094712646
Energy: 2.245098066461085
Energy: 1.9803799094712646
Energy: 2.2378928731981715
Energy: 1.9803736051527216
Energy: 2.4381955944322473
Energy: 1.9803736051527216
Energy: 2.2381122416473054
Energy: 1.9801784748231508
Energy: 2.320631712255324
Energy: 1.9801784748231508
Energy: 2.2374141132247836
Energy: 1.9799805723902604
Energy: 2.438045105074687
Energy: 1.97998057238889
Energy: 2.238013368897599
Energy: 1.980203452260269
Energy: 2.438106482330086
Energy: 1.980203452260269
Energy: 2.2378977723976083
Energy: 1.9802177945769368
Energy: 2.4382465710322294
Energy: 1.9802177945769368
Energy: 2.2378446025342416
Energy: 1.9801348419586684
Energy: 2.437922630308669
Energy: 1.9801348419586684
Energy: 2.237205377468441
Energy: 1.9800598717164295
Energy: 2.245089757364482
Energy: 1.9800598717164295
Energy: 2.437701065082817
Energy: 2.3884698961438433
Energy: 2.475117935361805
Energy: 2.3884698961438433
Energy: 2.2371798995957937
Energy: 1.980222266624059
Energy: 2.237753792709064
Energy: 1.9802222666254294
Energy: 2.236673586418993
Energy: 1.9799673126932718
Energy: 2.3205597313382107
Energy: 1.9799673126932718
Energy: 2.2435653265616726
Energy: 1.979920288059944
Energy: 2.3205425898093814
Energy: 1.979920288059944
Energy: 2.2451435618637943
Energy: 2.0502420551632508
Energy: 2.2374607110510425
Energy: 2.0502420551632508
Energy: 2.320652983189553
Energy: 1.9803776130620456
Energy: 2.2380411188311937
Energy: 1.9803776130620456
Energy: 2.3205600950400926
Energy: 1.980336428038154
Energy: 2.2379840651056266
Energy: 1.9803364280367828
Energy: 2.4382059123731445
Energy: 1.929790151647947
Energy: 2.341312848743726
Energy: 1.929790151647947
Energy: 2.437956453016646
Energy: 1.979954949999457
Energy: 2.236960914722254
Energy: 1.979954949999457
Energy: 2.4382789217976377
Energy: 1.9799474795302168
Energy: 2.2380039707449293
Energy: 1.979947479528846
Energy: 2.438054535434121
Energy: 1.980096339029446
Energy: 2.237444631796866
Energy: 1.9800963390308164
Energy: 2.443313341598553
Energy: 1.9805139185653389
Energy: 2.4376911399145955
Energy: 1.9805139185653389
Energy: 2.475030761725242
Energy: 2.3879602467367147
Energy: 2.437693566034657
Energy: 2.387960246738085
Energy: 2.2373972670591264
Energy: 2.0502761669527705
Energy: 2.2372015502626734
Energy: 2.0502761669527705
Energy: 2.3205409801796337
Energy: 1.980044542325012
Energy: 2.2379598753263963
Energy: 1.980044542325012

minimum gb energy = 1.929790151647947 eV
minimum distance =  2.44591657599316 Angstroms
sigma value = 17


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

Energy: 2.800002542118692
Energy: 2.596446656404615
Energy: 2.5991255658719137
Energy: 2.48815051190064
Energy: 2.02051458965683
Energy: 1.9472537109380526
Energy: 2.2814948617895245
Energy: 1.9472537109380526
Energy: 2.1818493499356193
Energy: 2.034416473582811
Energy: 1.9399697298451757
Energy: 2.034416473582811
Energy: 2.18191116479218
Energy: 2.0147409383307386
Energy: 1.9408689775832624
Energy: 2.0147409383307386
Energy: 2.1819352033294344
Energy: 2.014856381617355
Energy: 2.3747136767964756
Energy: 2.014856381617355
Energy: 2.3747018277214353
Energy: 1.9404298166480374
Energy: 2.3747125136292726
Energy: 1.9404298166480374
Energy: 2.3746871094477333
Energy: 1.940418265770405
Energy: 2.3747113051324713
Energy: 1.940418265770405
Energy: 2.374714030751722
Energy: 1.9404161631360015
Energy: 2.3747545873549654
Energy: 1.9404161631360015
Energy: 1.9404530219811027
Energy: 2.014699793379766
Energy: 2.181862519208515
Energy: 2.014699793379766
Energy: 2.1010869963695993
Energy: 2.0148500341886417
Energy: 2.1818749449151955
Energy: 2.0148500341886417
Energy: 2.2815008698244825
Energy: 2.0147209928506267
Energy: 2.181826617570831
Energy: 2.0147209928497802
Energy: 2.51192377900307
Energy: 2.093195357032113
Energy: 1.9462774718556113
Energy: 2.093195357032113
Energy: 2.5185624259062305
Energy: 2.363169983782891
Energy: 1.9462700487517184
Energy: 2.363169983782891
Energy: 1.9472773728574173
Energy: 2.1947021218774614
Energy: 2.014746142470638
Energy: 2.1947021218774614
Energy: 1.999031031530457
Energy: 2.0147342603825766
Energy: 2.1512759555187997
Energy: 2.0147342603825766
Energy: 2.308934580523352
Energy: 2.014716705285626
Energy: 2.192574741386299
Energy: 2.014716705285626
Energy: 2.272753219842353
Energy: 1.9472112864097293
Energy: 2.371105459488927
Energy: 1.9472112864097293
Energy: 2.2727386236682956
Energy: 1.9471674912538535
Energy: 2.5267688161166912
Energy: 1.9471674912538535
Energy: 2.2728058932979702
Energy: 1.9472505604922556
Energy: 2.526718764569674
Energy: 1.9472505604922556
Energy: 2.2104230979928206
Energy: 2.06221187531998
Energy: 2.519477057918158
Energy: 2.06221187531998
Energy: 2.2104047424879045
Energy: 1.9680635116885747
Energy: 2.0622169887288284
Energy: 1.9680635116885747
Energy: 2.2103371896964967
Energy: 1.967981336099114
Energy: 2.0622350043995397
Energy: 1.967981336099114
Energy: 2.2103514527175716
Energy: 2.338128157393934
Energy: 1.9680666805419251
Energy: 2.338128157393934
Energy: 1.939451369607381
Energy: 2.373732186558058
Energy: 2.4351922926541776
Energy: 2.373732186558058
Energy: 2.004948097959085
Energy: 1.9680974220009015
Energy: 2.292503813282531
Energy: 1.9680974220009015
Energy: 2.0066045099302876
Energy: 1.9680165711954731
Energy: 1.96807983898017
Energy: 1.9680165711954731
Energy: 2.453650093639877
Energy: 2.3745390723513022
Energy: 1.9406474519498451
Energy: 2.3745390723513022
Energy: 2.229134204965334
Energy: 1.9680257882361112
Energy: 1.9535705427818348
Energy: 1.9680257882361112
Energy: 2.062192187264282
Energy: 1.9680629538438643
Energy: 2.2103206358018888
Energy: 1.9680629538438643
Energy: 2.611642059828836
Energy: 1.9680088020217643
Energy: 2.2103711071912606
Energy: 1.9680088020217643
Energy: 2.5194743038899303
Energy: 1.9679844163823828
Energy: 2.210412305956671
Energy: 1.9679844163823828
Energy: 2.5194143258151263
Energy: 1.9471813455416291
Energy: 2.272786633676979
Energy: 1.9471813455416291
Energy: 2.5267684164847393
Energy: 1.9471768498956135
Energy: 2.2726993487500007
Energy: 1.9471768498956135
Energy: 2.526686388900752
Energy: 1.9472815476891299
Energy: 2.2727139624670394
Energy: 1.9472815476891299
Energy: 2.0296151115292624
Energy: 2.014721207457061
Energy: 1.947329839889925
Energy: 2.014721207457061
Energy: 2.2553207190293145
Energy: 2.151599168970398
Energy: 1.9397424208610565
Energy: 2.151599168970398
Energy: 2.0223009299430093
Energy: 2.01472078089544
Energy: 1.9472747259245045
Energy: 2.01472078089544
Energy: 1.9742331938259965
Energy: 1.9472818577974749
Energy: 2.432624077113735
Energy: 1.9472818577974749

minimum gb energy = 1.939451369607381 eV
minimum distance =  2.42707316604446 Angstroms
sigma value = 89


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

Energy: 3.561677373202331
Energy: 2.2518783103144995
Energy: 2.3106882620978393
Energy: 1.9400092568448148
Energy: 2.096088931845049
Energy: 1.8692050315764384
Energy: 2.102589518755113
Energy: 1.8692050315808717
Energy: 2.096147180080286
Energy: 1.8693154383957074
Energy: 2.4693275748489616
Energy: 1.8693154383957074
Energy: 2.096259018483181
Energy: 1.8690409247003397
Energy: 2.469304557356587
Energy: 1.8690409246981232
Energy: 2.0961325175022463
Energy: 1.8691335771820132
Energy: 2.3302109518432585
Energy: 1.8691335771820132
Energy: 2.302216015231307
Energy: 1.797629689421487
Energy: 2.3026793743789655
Energy: 1.797629689421487
Energy: 2.302287617745805
Energy: 1.797162961162449
Energy: 2.302570217431999
Energy: 1.797162961162449
Energy: 2.3294691355015678
Energy: 1.7970598070777786
Energy: 2.30246205916114
Energy: 1.7970598070777786
Energy: 2.330214154765992
Energy: 1.8690614055754973
Energy: 2.096119925764821
Energy: 1.8690614055732806
Energy: 2.329252510947961
Energy: 1.8690516232295795
Energy: 2.0962891456616704
Energy: 1.8690516232295795
Energy: 2.330161405618194
Energy: 1.8690797330087396
Energy: 2.0961262692886455
Energy: 1.8690797330087396
Energy: 2.3106327879346464
Energy: 1.8692048517128739
Energy: 1.7955276097911752
Energy: 1.8692048517128739
Energy: 2.3303968289827557
Energy: 2.2518805922924976
Energy: 1.7956033683309407
Energy: 2.2518805922924976
Energy: 2.0961000882411134
Energy: 1.997430111325458
Energy: 2.096102995614936
Energy: 1.997430111325458
Energy: 2.121875720030258
Energy: 1.869298101090609
Energy: 2.096222139987619
Energy: 1.869298101090609

minimum gb energy = 1.7955276097911752 eV
minimum distance =  2.43518141403111 Angstroms
sigma value = 13


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

Energy: 2.591867737485715
Energy: 2.150927579163931
Energy: 2.1760498515720514
Energy: 2.024759492215422
Energy: 1.8696662871150067
Energy: 1.841784761050498
Energy: 2.006921399912474
Energy: 1.841784761050498
Energy: 2.0370322296630645
Energy: 1.838332260630163
Energy: 1.6670120343187729
Energy: 1.838332260630163
Energy: 2.0370218313290613
Energy: 1.838324338053913
Energy: 1.6670040427256674
Energy: 1.838324338053913
Energy: 1.814714749837841
Energy: 1.8383212291377982
Energy: 2.1537653361423583
Energy: 1.8383212291377982
Energy: 2.332642879838093
Energy: 1.7172309787185223
Energy: 2.153769308954619
Energy: 1.7172309787185223
Energy: 2.3326334449782826
Energy: 1.7172137162070114
Energy: 2.153807211158642
Energy: 1.7172137162070114
Energy: 2.332635401919566
Energy: 1.7172158010540501
Energy: 2.1538180884149996
Energy: 1.7172158010577663
Energy: 2.338271243310438
Energy: 1.7237220209915163
Energy: 2.1595769911141725
Energy: 1.7237220209915163
Energy: 2.338285403712873
Energy: 1.7236895097435336
Energy: 2.1595506294857576
Energy: 1.7236895097435336
Energy: 2.253192878503576
Energy: 1.8935042080016922
Energy: 2.161657469549056
Energy: 1.8935042080016922
Energy: 2.0547704564517524
Energy: 1.8330874081568003
Energy: 1.9071896182089485
Energy: 1.8330874081568003
Energy: 2.054723707180451
Energy: 1.8331033522028763
Energy: 1.7236766623618058
Energy: 1.8331033522028763
Energy: 2.054720966136028
Energy: 2.0730064791957656
Energy: 1.7227254909961143
Energy: 2.0730064791957656
Energy: 1.7445561249825865
Energy: 1.7166684770312333
Energy: 2.333449314758792
Energy: 1.7166684770312333
Energy: 1.713380030020144
Energy: 1.716715605860443
Energy: 2.0072632625738103
Energy: 1.716715605860443
Energy: 2.0065960310454907
Energy: 1.8839757084573536
Energy: 2.00723378114084
Energy: 1.8839757084573536
Energy: 2.0066283475262185
Energy: 1.8840196402074554
Energy: 2.2185005543263427
Energy: 1.8840196402074554
Energy: 2.010850342735161
Energy: 1.8839719628168556
Energy: 1.7166653621661598
Energy: 1.8839719628168556
Energy: 1.70853306782734
Energy: 1.716701845476982
Energy: 2.0072246685900135
Energy: 1.716701845476982
Energy: 1.749833290665212
Energy: 1.9046607907494524
Energy: 2.1174066615986216
Energy: 1.9046607907494524
Energy: 1.7385525705446592
Energy: 1.7166415431235513
Energy: 1.71662328478807
Energy: 1.7166415431235513
Energy: 2.1666196648340503
Energy: 1.7085247172591007
Energy: 2.2945870666670136
Energy: 1.7085247172591007
Energy: 2.1666181142016265
Energy: 1.7085640599624259
Energy: 2.3215027519803657
Energy: 1.7085640599624259
Energy: 2.1666593753412884
Energy: 1.7085497376049787
Energy: 2.294564589996276
Energy: 1.7085497376049787
Energy: 2.1611290030442216
Energy: 1.7243922851337967
Energy: 2.310765188292894
Energy: 1.7243922851337967
Energy: 2.1610336953412954
Energy: 1.7243727536272142
Energy: 1.8564299788911514
Energy: 1.7243727536272142
Energy: 1.7588811444280175
Energy: 1.7243996608787528
Energy: 2.3107585544520246
Energy: 1.7243996608787528
Energy: 1.7243897421013195
Energy: 1.841731526632139
Energy: 2.0402345284839822
Energy: 1.841731526632139
Energy: 2.302349327109721
Energy: 1.8417278837633224
Energy: 2.040200946438782
Energy: 1.8417278837633224
Energy: 1.7546792225515058
Energy: 1.8417855971083015
Energy: 1.8504400364509435
Energy: 1.8417855971083015
Energy: 1.842884358580693
Energy: 1.8383587978174054
Energy: 1.7133822142975506
Energy: 1.8383587978174054
Energy: 2.2544797577197757
Energy: 2.1984421711293036
Energy: 1.71338922155974
Energy: 2.1984421711293036
Energy: 2.0370139955571664
Energy: 1.969026781129892
Energy: 1.8504333140115583
Energy: 1.969026781129892
Energy: 1.778479960159494
Energy: 2.006917107358966
Energy: 2.136122663107981
Energy: 2.006917107358966

minimum gb energy = 1.6670040427256674 eV
minimum distance =  2.4390348530304 Angstroms
sigma value = 37


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

Energy: 2.6548857017892113
Energy: 1.9958180537954986
Energy: 2.0800452104971585
Energy: 1.805476207990422
Energy: 1.9013895200617557
Energy: 1.7261637003270474
Energy: 1.9078058788751635
Energy: 1.7261637003270474
Energy: 1.901410770566907
Energy: 1.7261346633081862
Energy: 2.0366625207842888
Energy: 1.7261346633081862
Energy: 1.9014436476272756
Energy: 1.726094171329407
Energy: 2.036667257943485
Energy: 1.726094171329407
Energy: 1.9731674564437707
Energy: 1.5881406814496428
Energy: 1.9694873875049388
Energy: 1.5881406814496428
Energy: 2.169804164698688
Energy: 1.5916108371969264
Energy: 1.9694857333131286
Energy: 1.5916108371969264
Energy: 2.16981753897318
Energy: 1.5868392835478182
Energy: 1.9694914647107165
Energy: 1.5868392835478182
Energy: 2.137922185265507
Energy: 1.586835849921998
Energy: 1.969471779824467
Energy: 1.586835849921998
Energy: 2.137934845062736
Energy: 1.5283688380290732
Energy: 2.137934777475926
Energy: 1.5283688380290732
Energy: 2.1379268285872883
Energy: 1.5283560022252016
Energy: 2.137905971067439
Energy: 1.5283560022252016
Energy: 1.9694768737613657
Energy: 1.862773194062201
Energy: 2.137934171618155
Energy: 1.862773194062201
Energy: 1.969540774775582
Energy: 1.5868415036175745
Energy: 2.1379215486484267
Energy: 1.5868415036175745
Energy: 1.9694972917702926
Energy: 1.58672296829158
Energy: 2.137943200729759
Energy: 1.58672296829158
Energy: 1.9694460045517155
Energy: 1.6674839633270797
Energy: 1.9731608970619674
Energy: 1.667483963323883
Energy: 2.1373232029461846
Energy: 1.7261449120456083
Energy: 1.903071414587606
Energy: 1.7261449120456083
Energy: 1.9694417524992474
Energy: 1.7363546613865304
Energy: 1.9014079159474966
Energy: 1.7363546613865304
Energy: 1.9694684223572634
Energy: 1.5867914449816625
Energy: 1.9013879573779013
Energy: 1.5867914449816625
Energy: 2.0942902555723046
Energy: 2.043786146086474
Energy: 1.9687882372052576
Energy: 2.043786146086474
Energy: 1.901380247326365
Energy: 1.726253867779271
Energy: 1.9687803721411328
Energy: 1.726253867779271
Energy: 1.89674221863831
Energy: 1.7261043659280242
Energy: 1.9013753185124251
Energy: 1.7261043659280242

minimum gb energy = 1.5283560022252016 eV
minimum distance =  2.43547684998367 Angstroms
sigma value = 25


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

Energy: 2.4510020553524843
Energy: 1.8707405921704618
Energy: 1.910772296392024
Energy: 1.6831216148667392
Energy: 1.6185146581840533
Energy: 1.6132774642672885
Energy: 1.6185188087344906
Energy: 1.6132774642672885
Energy: 1.7545115755481338
Energy: 1.6132627698313777
Energy: 1.8175420885566842
Energy: 1.6132627698313777
Energy: 1.7545236100195765
Energy: 1.6132233465198675
Energy: 1.9561045141187126
Energy: 1.6132233465198675
Energy: 1.784224704586885
Energy: 1.4787511513718103
Energy: 1.4971771762145323
Energy: 1.4787511513718103
Energy: 1.9564127216840514
Energy: 1.4787390588976694
Energy: 1.7820604885093199
Energy: 1.4787390588976694
Energy: 1.956413611733638
Energy: 1.4787295080757636
Energy: 1.782079032561921
Energy: 1.4787295080757636
Energy: 1.9018159486837998
Energy: 1.423839152747513
Energy: 1.494348012422945
Energy: 1.423839152747513
Energy: 1.8913571277333452
Energy: 1.384348029133325
Energy: 1.9611608667660483
Energy: 1.384348029133325
Energy: 1.8913127839991437
Energy: 1.3843833905171454
Energy: 1.9611631826605718
Energy: 1.3843833905171454
Energy: 1.8962045340493328
Energy: 1.6734202345849247
Energy: 1.9611392991026952
Energy: 1.6734202345849247
Energy: 1.981286289769269
Energy: 1.3539149469839364
Energy: 1.9812892598249898
Energy: 1.3539149469839364
Energy: 1.981286968958792
Energy: 1.3539178929682776
Energy: 1.981293194309209
Energy: 1.3539178929682776
Energy: 1.9611406793811426
Energy: 1.3843406077105207
Energy: 1.89624054931618
Energy: 1.3843406077105207
Energy: 1.9611603583494894
Energy: 1.3843507852300145
Energy: 1.8913107326805585
Energy: 1.3843507852300145
Energy: 1.9611584164251659
Energy: 1.3843520906529783
Energy: 1.9017942268805912
Energy: 1.3843520906529783
Energy: 1.7820401516805542
Energy: 1.47873341534334
Energy: 1.9017801078928824
Energy: 1.47873341534334
Energy: 1.7820461071788678
Energy: 1.478750088757632
Energy: 1.9607054526346819
Energy: 1.478750088757632
Energy: 1.7820395241845373
Energy: 1.4787308197443196
Energy: 1.9017860157548516
Energy: 1.4787308197443196
Energy: 1.4814745061163197
Energy: 1.6132353956046033
Energy: 1.7545090222905708
Energy: 1.6132353956046033
Energy: 1.9012483006332652
Energy: 1.6132656712235929
Energy: 1.7545508232059563
Energy: 1.6132656712235929
Energy: 1.7820319288722137
Energy: 1.613240787533221
Energy: 1.7545272001330996
Energy: 1.613240787533221
Energy: 1.6215458315995015
Energy: 1.6132273645390856
Energy: 1.493896127465527
Energy: 1.6132273645390856
Energy: 1.9109559347312695
Energy: 1.8707858758623688
Energy: 1.90152581295249
Energy: 1.8707858758623688
Energy: 1.75450469604276
Energy: 1.6132378620183947
Energy: 1.6131962209818722
Energy: 1.6132378620183947
Energy: 1.8171357418263017
Energy: 1.6185022850360453
Energy: 1.7545222169269528
Energy: 1.6185022850360453

minimum gb energy = 1.3539149469839364 eV
minimum distance =  2.44118971774782 Angstroms
sigma value = 41


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

Energy: 2.2545580648800505
Energy: 1.7259922835003179
Energy: 1.7604343755186194
Energy: 1.5727454190488206
Energy: 1.514398512661779
Energy: 1.5128694776247658
Energy: 1.515953132472324
Energy: 1.5128694776247658
Energy: 1.5144107304393675
Energy: 1.512855891039094
Energy: 1.665451074174517
Energy: 1.512855891039094
Energy: 1.6303704807697526
Energy: 1.5128695069290283
Energy: 1.7884548047366555
Energy: 1.5128695069290283
Energy: 1.3947083157669562
Energy: 1.3930972899532152
Energy: 1.3931060125455945
Energy: 1.3930972899532152
Energy: 1.7886403463274556
Energy: 1.3931002092343654
Energy: 1.6431718795520214
Energy: 1.3931002092343654
Energy: 1.788655613361077
Energy: 1.3930957888831474
Energy: 1.6431583597852026
Energy: 1.3930957888831474
Energy: 1.73374127181493
Energy: 1.352890549627432
Energy: 1.7275542249985216
Energy: 1.3528905496264088
Energy: 1.7157359047311875
Energy: 1.2975275696146018
Energy: 1.7921476962746603
Energy: 1.2975275696146018
Energy: 1.715731838758141
Energy: 1.297522306502252
Energy: 1.7921452115998788
Energy: 1.297522306502252
Energy: 1.726243399156365
Energy: 1.2438681630947845
Energy: 1.7932676679312698
Energy: 1.2438681630947845
Energy: 1.7944905196856589
Energy: 1.2438801048251247
Energy: 1.5460339959614637
Energy: 1.2438801048251247
Energy: 1.7945004276771708
Energy: 1.243874345148092
Energy: 1.8250275719658302
Energy: 1.243874345148092
Energy: 1.794475704446113
Energy: 1.2265656665287628
Energy: 1.7803970772652624
Energy: 1.2265656665287628
Energy: 1.7945012999522463
Energy: 1.226575714744021
Energy: 1.7944846530639298
Energy: 1.226575714744021
Energy: 1.7944886818159766
Energy: 1.2265761146649659
Energy: 1.794482529993615
Energy: 1.2265761146649659
Energy: 1.786393879701999
Energy: 1.2438933035818016
Energy: 1.7944851073926043
Energy: 1.2438933035818016
Energy: 1.5460453803931276
Energy: 1.243888450394787
Energy: 1.7944810702932004
Energy: 1.243888450394787
Energy: 1.7932705828827362
Energy: 1.2449674848577292
Energy: 1.7944947759677068
Energy: 1.2449674848577292
Energy: 1.7932773704205605
Energy: 1.2975081812243112
Energy: 1.7157697471534088
Energy: 1.2975081812243112
Energy: 1.793267156698083
Energy: 1.297523382204222
Energy: 1.7157418944830525
Energy: 1.297523382204222
Energy: 1.7932708863338096
Energy: 1.2975092737498817
Energy: 1.7337467547870637
Energy: 1.2975092737488585
Energy: 1.6431809375990385
Energy: 1.3930916622047602
Energy: 1.7337573489515845
Energy: 1.3930916622047602
Energy: 1.643154232368325
Energy: 1.3931008734655048
Energy: 1.7928141179122652
Energy: 1.3931008734655048
Energy: 1.4014621744910036
Energy: 1.3930972948147775
Energy: 1.73375014727842
Energy: 1.3930972948147775
Energy: 1.2984537579285476
Energy: 1.512868661429756
Energy: 1.6301913086969775
Energy: 1.512868661429756
Energy: 1.2984540376457363
Energy: 1.5128530996759655
Energy: 1.630189610941596
Energy: 1.5128530996759655
Energy: 1.3931034400040279
Energy: 1.5128670053815279
Energy: 1.5159513461198533
Energy: 1.5128670053815279
Energy: 1.515950884072821
Energy: 1.512858899863459
Energy: 1.2973970953525542
Energy: 1.512858899863459
Energy: 1.6302024691243433
Energy: 1.515940840486931
Energy: 1.2973942841821873
Energy: 1.515940840486931
Energy: 1.5159541603566982
Energy: 1.5159450287350142
Energy: 1.5159571323711942
Energy: 1.5159450287350142
Energy: 1.6652296485489555
Energy: 1.5128540684935663
Energy: 1.6301912196825714
Energy: 1.5128540684935663

minimum gb energy = 1.2265656665287628 eV
minimum distance =  2.44118945687669 Angstroms
sigma value = 15


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

Energy: 2.0085395999134943
Energy: 1.6056852607565169
Energy: 1.6352618636960177
Energy: 1.4759060881307264
Energy: 1.4249753449324059
Energy: 1.4259963908031126
Energy: 1.3185049458230378
Energy: 1.4259963908031126
Energy: 1.5242906962569864
Energy: 1.4240557528655065
Energy: 1.546526870828183
Energy: 1.4240557528655065
Energy: 1.5243236104546583
Energy: 1.4240877748136576
Energy: 1.6203132097457666
Energy: 1.4240877748136576
Energy: 1.3195230883786913
Energy: 1.3195251791869205
Energy: 1.3185051193213262
Energy: 1.3195251791869205
Energy: 1.6529066436909483
Energy: 1.3185073817639918
Energy: 1.3195214048875648
Energy: 1.3185073817639918
Energy: 1.6583105127489164
Energy: 1.3185144235193265
Energy: 1.5307976871511524
Energy: 1.3185144235193265
Energy: 1.2294137382396793
Energy: 1.2323391865023752
Energy: 1.5999870138066428
Energy: 1.2323391864989077
Energy: 1.5841146121151015
Energy: 1.2294374668743044
Energy: 1.6584305933159125
Energy: 1.2294374668743044
Energy: 1.5841208946628749
Energy: 1.2294301802802523
Energy: 1.6584310324893505
Energy: 1.2294301802793857
Energy: 1.6482881157891416
Energy: 1.171616313542097
Energy: 1.657687508753001
Energy: 1.171616313542097
Energy: 1.6587153829659826
Energy: 1.1716152351348152
Energy: 1.6654833550653594
Energy: 1.1716152351348152
Energy: 1.6598232905069217
Energy: 1.171617145135928
Energy: 1.6653984728998477
Energy: 1.1716171451350614
Energy: 1.659813382801206
Energy: 1.1391035379975858
Energy: 1.6559311326876343
Energy: 1.1391035379975858
Energy: 1.6914418858288673
Energy: 1.1391101964886576
Energy: 1.6599999338490012
Energy: 1.1391101964886576
Energy: 1.691475997977728
Energy: 1.1391148589477935
Energy: 1.660004368278368
Energy: 1.1391148589477935
Energy: 1.6576852133205258
Energy: 1.128642316876515
Energy: 1.660003049667214
Energy: 1.1286423168773818
Energy: 1.6600007309401752
Energy: 1.128639527059888
Energy: 1.660001688009047
Energy: 1.128639527059888
Energy: 1.6600039690412933
Energy: 1.128642298339813
Energy: 1.6600100009579153
Energy: 1.128642298339813
Energy: 1.6600043212307443
Energy: 1.1391185349356765
Energy: 1.6915501293600919
Energy: 1.1391185349356765
Energy: 1.6600178380463302
Energy: 1.1391066567913735
Energy: 1.6914707701102614
Energy: 1.1391066567913735
Energy: 1.645010965526405
Energy: 1.1391061500302706
Energy: 1.6598151561781322
Energy: 1.1391061500302706
Energy: 1.6654063536609203
Energy: 1.1716133808314402
Energy: 1.6598310505604301
Energy: 1.1716133808314402
Energy: 1.6653988604696235
Energy: 1.1716122256829642
Energy: 1.6598098377454755
Energy: 1.1716122256829642
Energy: 1.657691621624994
Energy: 1.1716053690117307
Energy: 1.5948244300695762
Energy: 1.1716053690117307
Energy: 1.6576713022770415
Energy: 1.2294254027491616
Energy: 1.5841223152629267
Energy: 1.2294254027491616
Energy: 1.6596546479992438
Energy: 1.2294355202823992
Energy: 1.584115728236168
Energy: 1.2294355202823992
Energy: 1.2300840738975676
Energy: 1.2300838156474063
Energy: 1.2294126493192985
Energy: 1.2300838156474063
Energy: 1.5308068603355929
Energy: 1.3185154777048071
Energy: 1.65741198092527
Energy: 1.3185154777048071
Energy: 1.5308151596026323
Energy: 1.3185133560332827
Energy: 1.6574074118776567
Energy: 1.3185133560332827
Energy: 1.3234949421636082
Energy: 1.3195272006623155
Energy: 1.2294137698413126
Energy: 1.3195272006623155
Energy: 1.6574497879373469
Energy: 1.4240949270459777
Energy: 1.524277154438864
Energy: 1.4240949270459777
Energy: 1.2292474192835725
Energy: 1.4240548000744868
Energy: 1.424069074878498
Energy: 1.4240548000744868
Energy: 1.3185062238401093
Energy: 1.3185031893260648
Energy: 1.424063505402217
Energy: 1.3185031893260648
Energy: 1.6352665443436096
Energy: 1.60567517279998
Energy: 1.2292866134328166
Energy: 1.60567517279998
Energy: 1.4249726330259103
Energy: 1.424059210562919
Energy: 1.318331104982827
Energy: 1.424059210562919
Energy: 1.5463835740448661
Energy: 1.4240588016722875
Energy: 1.424061670316668
Energy: 1.4240588016722875

minimum gb energy = 1.128639527059888 eV
minimum distance =  2.44263946820812 Angstroms
sigma value = 85


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

Energy: 2.1480677853704413
Energy: 1.4846467823094966
Energy: 1.510690109867647
Energy: 1.3724603537120417
Energy: 1.3267195377964327
Energy: 1.2335682681235638
Energy: 1.418233171339424
Energy: 1.2335682681235638
Energy: 1.4142322460402161
Energy: 1.3267136166150384
Energy: 1.4907287715356146
Energy: 1.3267136166150384
Energy: 1.4142354608222871
Energy: 1.3267143626981013
Energy: 1.5350060379388775
Energy: 1.3267143626981013
Energy: 1.419655175086881
Energy: 1.2346766485954372
Energy: 1.4182247646936617
Energy: 1.2346766485954372
Energy: 1.5344506667795585
Energy: 1.233564929140224
Energy: 1.4182366061990122
Energy: 1.233564929140224
Energy: 1.534456999614456
Energy: 1.233565004755916
Energy: 1.4182374266299957
Energy: 1.233565004755916
Energy: 1.1520874812598059
Energy: 1.155317936768401
Energy: 1.4618178968893702
Energy: 1.155317936768401
Energy: 1.4606457051956019
Energy: 1.1520888058440322
Energy: 1.5335121112703283
Energy: 1.1520888058440322
Energy: 1.460665613118494
Energy: 1.1520907072137596
Energy: 1.533514812778119
Energy: 1.1520907072137596
Energy: 1.521807308801155
Energy: 1.095625204085524
Energy: 1.530832153743925
Energy: 1.095625204085524
Energy: 1.5355364200778956
Energy: 1.0956313368449646
Energy: 1.5269094821388565
Energy: 1.0956313368449646
Energy: 1.5352656157906408
Energy: 1.0965036252661577
Energy: 1.5269243676504638
Energy: 1.0965036252661577
Energy: 1.5352540648074198
Energy: 1.0586947648356586
Energy: 1.5314050907009964
Energy: 1.0586947648356586
Energy: 1.5576921802212338
Energy: 1.0586938271142758
Energy: 1.536880212650612
Energy: 1.0586938271142758
Energy: 1.5576823763462744
Energy: 1.058694691799902
Energy: 1.5368991517045947
Energy: 1.058694691799902
Energy: 1.5354036169582224
Energy: 1.0378560110273294
Energy: 1.5368898754921996
Energy: 1.0378560110273294
Energy: 1.5377900274947893
Energy: 1.0378589696520872
Energy: 1.5369016923850074
Energy: 1.0378589696520872
Energy: 1.5377861209138648
Energy: 1.0378600973344372
Energy: 1.5320699159684878
Energy: 1.0378600973344372
Energy: 1.53778869229405
Energy: 1.031111861977299
Energy: 1.5377954977227244
Energy: 1.031111861977299
Energy: 1.5377883989184524
Energy: 1.031120652297253
Energy: 1.537798325160228
Energy: 1.031120652297253
Energy: 1.532066801060706
Energy: 1.0311141774849817
Energy: 1.5377840230834197
Energy: 1.0311141774849817
Energy: 1.5368997392290562
Energy: 1.0378585872073571
Energy: 1.537796361262309
Energy: 1.0378585872073571
Energy: 1.5368970269724969
Energy: 1.0378558702884393
Energy: 1.5378057765519617
Energy: 1.0378558702884393
Energy: 1.5368915309776734
Energy: 1.0378548849884992
Energy: 1.5284405269866472
Energy: 1.0378548849884992
Energy: 1.5368988594419581
Energy: 1.058696427421363
Energy: 1.5577005986625974
Energy: 1.058696427421363
Energy: 1.53690398823856
Energy: 1.0586939704744183
Energy: 1.5576771851882523
Energy: 1.0586939704744183
Energy: 1.5182604460646083
Energy: 1.5352555867196442
Energy: 1.535253529260047
Energy: 1.5352555867196442
Energy: 1.526902518714469
Energy: 1.0956232643281976
Energy: 1.5352565793565074
Energy: 1.0956232643281976
Energy: 1.5188025294327412
Energy: 1.0956261436037678
Energy: 1.5352630243317755
Energy: 1.0956261436037678
Energy: 1.530828187417604
Energy: 1.1520867052555683
Energy: 1.4729275670877608
Energy: 1.1520867052555683
Energy: 1.5363042406608916
Energy: 1.1520906559994115
Energy: 1.4606585072252691
Energy: 1.1520906559994115
Energy: 1.530832202523374
Energy: 1.1520847457937384
Energy: 1.4606406043407194
Energy: 1.1520847457937384
Energy: 1.418241940230942
Energy: 1.233571303563402
Energy: 1.1520886608922125
Energy: 1.233571303563402
Energy: 1.4185195091259448
Energy: 1.233576590738984
Energy: 1.5368729184757886
Energy: 1.233576590738984
Energy: 1.4182398338806577
Energy: 1.2335698132189479
Energy: 1.1520847568062997
Energy: 1.2335698132189479
Energy: 1.4612645339071506
Energy: 1.3267212435523548
Energy: 1.4196688493141738
Energy: 1.3267212435523548
Energy: 1.520051354235472
Energy: 1.3267159373809803
Energy: 1.4142262539994
Energy: 1.3267159373809803
Energy: 1.418225527908811
Energy: 1.3267085512071422
Energy: 1.326722124456207
Energy: 1.3267085512071422
Energy: 1.4182351230952803
Energy: 1.2335724108634656
Energy: 1.4620668690981242
Energy: 1.2335724108634656
Energy: 1.4142283317721482
Energy: 1.3267128843807126
Energy: 1.520230004018627
Energy: 1.3267128843807126
Energy: 1.4142221043155816
Energy: 1.3267105249272566
Energy: 1.41422381727542
Energy: 1.3267105249272566
Energy: 1.4913288220116727
Energy: 1.3286301182313693
Energy: 1.4142348716670183
Energy: 1.3286301182321212

minimum gb energy = 1.031111861977299 eV
minimum distance =  2.44502712866645 Angstroms
sigma value = 113


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

Energy: 0.019557599877281003
Energy: 0.10126876088233591
Energy: 1.3644876919515079
Energy: 0.019557838163988164
Energy: 0.2444562784375868
Energy: 0.10126987437491193
Energy: 0.24445701158630764
Energy: 0.10126987437491193
Energy: 0.24445713953502682
Energy: 0.10126973115747955
Energy: 0.019557705887168975
Energy: 0.10126973115747955
Energy: 0.24445877853830306
Energy: 0.10127264746856543
Energy: 0.019557635790097675
Energy: 0.10127264746856543
Energy: 0.24445595705704984
Energy: 0.10126973479984454
Energy: 0.24445623995910792
Energy: 0.10126973479926657
Energy: 0.019557639621653092
Energy: 0.1012723104346088
Energy: 0.2444556702188871
Energy: 0.1012723104346088

minimum gb energy = 0.019557599877281003 eV
minimum distance =  2.71527051856272 Angstroms
sigma value = 1