Model name: model_name=MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_001
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=3.167413122951984
cohesive_energy=6.81791387822765
mass=95.95
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: 0.01717741909779771
Energy: 0.01762071170865734
Energy: 3.465407420503618
Energy: 0.017620711707885723
Energy: 0.01762071170865734
Energy: 0.018328354706369773
Energy: 1.4416170196286628
Energy: 0.018328354706369773
Energy: 3.465407420503618
Energy: 1.4416170196286628
Energy: 1.4415535345311212
Energy: 1.4416170196278912
Energy: 0.01762071170865734
Energy: 0.018328354706369773
Energy: 1.4416170196286628
Energy: 0.018328354706369773

minimum gb energy = 0.01717741909779771 eV
minimum distance =  2.73536019903233 Angstroms
sigma value = 1


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

Energy: 2.2094127351437334
Energy: 2.002817351585582
Energy: 1.7339417051645791
Energy: 2.002817351584591
Energy: 2.4608560165728983
Energy: 1.8287357142426572
Energy: 1.5511664146394506
Energy: 1.8287357142386937
Energy: 2.5687022889443503
Energy: 1.5510675217373158
Energy: 1.5186543816871716
Energy: 1.5510675217373158
Energy: 2.1620011152333785
Energy: 1.8989941600118356
Energy: 1.5511393216142935
Energy: 1.898994160008863
Energy: 2.157715628893525
Energy: 1.8943118263552823
Energy: 2.21677537128643
Energy: 1.8943118263582546
Energy: 2.424652933822702
Energy: 1.5082716769347038
Energy: 1.506511059277566
Energy: 1.508271676932722
Energy: 1.8583680596745342
Energy: 1.9011446192139867
Energy: 1.5064883013036263
Energy: 1.9011446192169594
Energy: 1.5226929414894204
Energy: 1.5080347504426554
Energy: 2.217225917288297
Energy: 1.5080347504426554
Energy: 1.837301243523058
Energy: 1.8179778316824196
Energy: 2.167779490191762
Energy: 1.8179778316784563
Energy: 2.4896054650872292
Energy: 1.507905166467104
Energy: 1.8138823610625538
Energy: 1.5079051664680947
Energy: 1.5160361079922935
Energy: 1.908202526452333
Energy: 2.1669131519111025
Energy: 1.908202526452333
Energy: 1.5160071390683547
Energy: 1.5162643624000256
Energy: 3.0215446179721233
Energy: 1.5162643624059706
Energy: 1.905442911068577
Energy: 1.9210452476292637
Energy: 2.170061231197801
Energy: 1.9210452476282727
Energy: 1.5482712092216926
Energy: 1.9145386365794055
Energy: 2.170653266092921
Energy: 1.914538636581387
Energy: 1.548104751967429
Energy: 1.7169929114184719
Energy: 2.4287706076518716
Energy: 1.7169929114204534
Energy: 1.5481046990864662
Energy: 1.7174681166099162
Energy: 2.4347493282041186
Energy: 1.717468116611898
Energy: 1.548249540391224
Energy: 1.9145011949932953
Energy: 2.170187549543495
Energy: 1.914501194988341
Energy: 1.9054013905473741
Energy: 1.9084760065433783
Energy: 2.179634531234808
Energy: 1.9084760065423874
Energy: 1.509610774447364
Energy: 1.5163434594834957
Energy: 3.0517288586170577
Energy: 1.5163434594834957
Energy: 1.5161394405498974
Energy: 1.9089196846451144
Energy: 1.8135512973568204
Energy: 1.9089196846461054
Energy: 2.4895501909373055
Energy: 1.5069996629563382
Energy: 1.816691448531802
Energy: 1.5069996629593105
Energy: 1.8375861741839532
Energy: 1.6256742369716246
Energy: 2.167245040289017
Energy: 1.6256742369716246
Energy: 1.8154899755658083
Energy: 1.5064224491018094
Energy: 1.8707837337817448
Energy: 1.5064224491047822
Energy: 2.1801768174012257
Energy: 1.5092411731893243
Energy: 1.5065920813583435
Energy: 1.509241173190315
Energy: 2.424790209160286
Energy: 1.508635563999127
Energy: 1.5066032330580024
Energy: 1.508635563998136
Energy: 2.1559637465495216
Energy: 1.8941247066078462
Energy: 2.2170173762357543
Energy: 1.8941247066098277
Energy: 2.1592084462475767
Energy: 1.727605153678081
Energy: 1.5510620699200615
Energy: 1.72760515367709
Energy: 2.7181904479490617
Energy: 1.5511040179281552
Energy: 1.518285450066201
Energy: 1.5511040179331093
Energy: 2.459278562176579
Energy: 1.8283394188420774
Energy: 1.5514573144654296
Energy: 1.8283394188410866
Energy: 2.2084663035792467
Energy: 1.9492386974415867
Energy: 1.5512684918300155
Energy: 1.949238697439605
Energy: 2.4577660208124987
Energy: 1.8287175618307732
Energy: 1.5314715264333651
Energy: 1.8287175618317641
Energy: 2.4245432643259544
Energy: 1.5135389585079289
Energy: 1.5179590504983536
Energy: 1.5135389585069379
Energy: 2.157802494053274
Energy: 1.8943366083250452
Energy: 1.5511951478387849
Energy: 1.894336608326036

minimum gb energy = 1.5064224491018094 eV
minimum distance =  2.3996499491622 Angstroms
sigma value = 1


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

Energy: 2.3334185960848535
Energy: 2.0223707737049
Energy: 1.74741208068096
Energy: 2.022370773703771
Energy: 2.3055733250341293
Energy: 1.9889683430995029
Energy: 1.7026172666516783
Energy: 1.988968343101762
Energy: 2.3069190224198843
Energy: 1.583747218239723
Energy: 1.5837541727793805
Energy: 1.5837472182374634
Energy: 1.5699471234664988
Energy: 1.56268990907942
Energy: 1.702404549861027
Energy: 1.5626899090805495
Energy: 1.569818911876248
Energy: 1.5628030202257546
Energy: 2.448643421706673
Energy: 1.5628030202257546
Energy: 2.3065939393702064
Energy: 1.562611062021078
Energy: 1.5619977927857547
Energy: 1.562611062021078
Energy: 1.562508877785055
Energy: 1.9886657864173705
Energy: 1.5620262874595814
Energy: 1.9886657864173705
Energy: 1.5619152916087102
Energy: 1.5623002839775455
Energy: 2.448210285490191
Energy: 1.562300283978675
Energy: 1.562200891069885
Energy: 1.8029925267161908
Energy: 2.3097523182165394
Energy: 1.8029925267150613
Energy: 1.7029660813648801
Energy: 1.5700048457032276
Energy: 1.5699289600460251
Energy: 1.5700048457043574
Energy: 1.5836374172586356
Energy: 1.6302353688313194
Energy: 2.3094622448693567
Energy: 1.6302353688347087
Energy: 1.5836625716819994
Energy: 1.5637844932294989
Energy: 2.922633241670166
Energy: 1.5637844932294989
Energy: 1.7023263157154958
Energy: 1.9847097220785763
Energy: 2.3124244981575663
Energy: 1.9847097220797063
Energy: 1.7023263157166253
Energy: 1.9847324302234493
Energy: 2.3124158593641604
Energy: 1.9847324302245792
Energy: 1.5837940721049668
Energy: 1.5638127706044578
Energy: 2.9225235328250294
Energy: 1.5638127706044578
Energy: 1.5836400054929054
Energy: 1.6303771740314394
Energy: 2.3094524839507953
Energy: 1.6303771740314394
Energy: 1.7029660813671395
Energy: 1.5700466338491728
Energy: 1.5699212236849296
Energy: 1.5700466338503025
Energy: 1.5621632626131579
Energy: 1.8029372452415198
Energy: 2.3095510441093743
Energy: 1.80293724524039
Energy: 1.5619177158206459
Energy: 1.5623052996669358
Energy: 2.4482102854845422
Energy: 1.5623052996646762
Energy: 1.5627589952293677
Energy: 1.9886436287766494
Energy: 1.56199834474214
Energy: 1.9886436287766494
Energy: 2.306589891730051
Energy: 1.5626236862696192
Energy: 1.5620135417633876
Energy: 1.5626236862684892
Energy: 1.5698105205233612
Energy: 1.5628807748546008
Energy: 2.4486434216998947
Energy: 1.5628807748557303
Energy: 1.5699525868933597
Energy: 1.5629288197004867
Energy: 1.702404549861027
Energy: 1.5629288196982272
Energy: 2.3069558973449706
Energy: 1.5836963444786607
Energy: 1.5837533693679846
Energy: 1.5836963444786607
Energy: 2.305723347156581
Energy: 1.9887912979095153
Energy: 1.7026172666516783
Energy: 1.9887912979072557
Energy: 2.333418596085983
Energy: 2.022370773703771
Energy: 1.7474120846874917
Energy: 2.022370773703771
Energy: 2.3055733250341293
Energy: 1.988968343101762
Energy: 1.7026172666516783
Energy: 1.9889683430995029
Energy: 2.306919022418754
Energy: 1.5837472182374634
Energy: 1.58375417278051
Energy: 1.5837472182385934
Energy: 1.5699471234676288
Energy: 1.5626899090805495
Energy: 1.702404549861027
Energy: 1.56268990907942

minimum gb energy = 1.5619152916087102 eV
minimum distance =  2.54642434642204 Angstroms
sigma value = 25


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

Energy: 2.169043194250594
Energy: 1.8247567737828152
Energy: 1.8139969837692917
Energy: 1.8247567737854418
Energy: 2.5258663634170384
Energy: 1.7351049895500115
Energy: 1.7617909377671734
Energy: 1.7351049895539514
Energy: 2.5219995911848403
Energy: 1.6833221060996588
Energy: 1.6830651387186017
Energy: 1.6833221061022854
Energy: 2.103678387617417
Energy: 1.6528646185053228
Energy: 1.7617488339777994
Energy: 1.652864618506636
Energy: 2.103560445481427
Energy: 1.6528235291138607
Energy: 2.1504457151478134
Energy: 1.6528235291151738
Energy: 2.521830825661906
Energy: 1.6608699055226113
Energy: 1.6601224400294803
Energy: 1.6608699055212977
Energy: 1.6825263686539043
Energy: 1.6529888614585289
Energy: 1.6602534692569715
Energy: 1.6529888614637522
Energy: 1.6628908591960787
Energy: 1.6826693615210457
Energy: 2.924433578340625
Energy: 1.6826693615223591
Energy: 1.6826318424474225
Energy: 1.6527834054067376
Energy: 2.135218473005026
Energy: 1.6527834054067376
Energy: 1.7544210607004371
Energy: 1.687241902403096
Energy: 2.109458855162704
Energy: 1.687241902403096
Energy: 1.7132163699654013
Energy: 1.652803567021538
Energy: 2.4965931988563046
Energy: 1.6528035670189114
Energy: 1.7627428404843337
Energy: 1.6827692944697459
Energy: 2.4952614258424974
Energy: 1.6827692944697459
Energy: 1.7542337596420028
Energy: 1.6874204131964605
Energy: 2.1117475607432024
Energy: 1.6874204131964605
Energy: 1.6831538500972365
Energy: 1.6526904081969453
Energy: 2.109572581592881
Energy: 1.6526904081982585
Energy: 1.6823485808852472
Energy: 1.6829079879401485
Energy: 2.922096820704633
Energy: 1.6829079879414621
Energy: 1.6825339043700125
Energy: 1.652927430638957
Energy: 1.6602136896181332
Energy: 1.6529274306376434
Energy: 2.9675580980088117
Energy: 1.6606473131404353
Energy: 1.660106436380669
Energy: 1.660647313139122
Energy: 2.117706351083851
Energy: 1.652923069742745
Energy: 2.1499704527610466
Energy: 1.6529230697388053
Energy: 1.8873266397737747
Energy: 1.652768815047138
Energy: 1.7618082187195963
Energy: 1.6527688150484512
Energy: 2.1276471119396465
Energy: 1.6602831035788839
Energy: 1.6846701119180223
Energy: 1.6602831035775707
Energy: 2.521323399378185
Energy: 1.8459910940094846
Energy: 1.6748350251986173
Energy: 1.8459910940094846
Energy: 2.1697189545973683
Energy: 1.6870566663596833
Energy: 1.7617589327996142
Energy: 1.6870566663596833
Energy: 2.525296606665703
Energy: 1.6872367054769661
Energy: 1.9042609914503161
Energy: 1.6872367054743396
Energy: 2.684796115358156
Energy: 1.683172064357128
Energy: 1.6846458343481414
Energy: 1.6831720643558146
Energy: 2.1035814655959
Energy: 1.6527358444805742
Energy: 1.6832116499212653
Energy: 1.6527358444832008

minimum gb energy = 1.6526904081969453 eV
minimum distance =  2.56680070053074 Angstroms
sigma value = 9


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

Energy: 1.7337844688137423
Energy: 1.7327444471943034
Energy: 1.9683476761207015
Energy: 1.732744447192737
Energy: 1.7328867835390158
Energy: 1.7127599412808179
Energy: 1.7116733209579875
Energy: 1.7127599412808179
Energy: 1.7118871253008021
Energy: 1.7700190430152376
Energy: 1.7697617889268038
Energy: 1.7700190430152376
Energy: 1.7115339174694084
Energy: 1.7128620877572747
Energy: 1.7117331987090318
Energy: 1.7128620877572747
Energy: 1.711703399986844
Energy: 1.7133415911547518
Energy: 1.712428537736836
Energy: 1.7133415911547518
Energy: 3.019771598671521
Energy: 1.7126531535274878
Energy: 1.7115908535447757
Energy: 1.7126531535274878
Energy: 1.7694797700067828
Energy: 1.7132870236296769
Energy: 1.7117693394195606
Energy: 1.7132870236296769
Energy: 1.7693869535769853
Energy: 1.7703590606430584
Energy: 2.6712484246866377
Energy: 1.7703590606414914
Energy: 2.0713145884569473
Energy: 1.7127129822587905
Energy: 1.7330217782684478
Energy: 1.7127129822587905
Energy: 2.070371205322401
Energy: 1.7330711027918098
Energy: 1.7329713790765897
Energy: 1.7330711027933765
Energy: 1.711879011153345
Energy: 1.7996700255494145
Energy: 2.6713001852569347
Energy: 1.7996700255478482
Energy: 1.769419188300746
Energy: 1.8260804870785718
Energy: 1.712461631683676
Energy: 1.8260804870801388
Energy: 2.070621740968062
Energy: 1.7122223208863963
Energy: 1.7116065006869967
Energy: 1.712222320887927
Energy: 1.7124647387437266
Energy: 1.8264570006351855
Energy: 1.7123453123550165
Energy: 1.8264570006367522
Energy: 1.711607963626868
Energy: 1.712226835887622
Energy: 2.070621740968062
Energy: 1.712226835887622
Energy: 1.7122620724017945
Energy: 1.826036531633746
Energy: 1.7694186334643685
Energy: 1.8260365316353127
Energy: 2.6712982855255727
Energy: 1.7997008060981212
Energy: 1.7119669443660435
Energy: 1.7997008060981212
Energy: 1.732968056971941
Energy: 1.7330661495113602
Energy: 2.070371205322401
Energy: 1.7330661495113602
Energy: 1.7330549503058383
Energy: 1.7128656711011976
Energy: 2.0713145884585145
Energy: 1.7128656710996306
Energy: 2.6711308064917088
Energy: 1.770366835278992
Energy: 1.7693863561303707
Energy: 1.7703668352774253
Energy: 1.7117313658323339
Energy: 1.713293354159735
Energy: 1.769489551961359
Energy: 1.7132933541581687

minimum gb energy = 1.7115339174694084 eV
minimum distance =  2.52432910756195 Angstroms
sigma value = 25


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

Energy: 1.9989114413032782
Energy: 1.8996246188660437
Energy: 2.038091173051686
Energy: 1.8996246188660437
Energy: 2.5985833044914184
Energy: 1.969532710013329
Energy: 1.9227472584905607
Energy: 1.9695327100152666
Energy: 1.949098495315468
Energy: 1.9420193137570145
Energy: 1.941149381469234
Energy: 1.9420193137570145
Energy: 1.8991316675087713
Energy: 1.9467911106716196
Energy: 1.9228390656328902
Energy: 1.946791110669682
Energy: 1.9482971634876618
Energy: 1.8812989190237002
Energy: 2.63944603343876
Energy: 1.8812989190237002
Energy: 2.6123978628819904
Energy: 1.9166033605404609
Energy: 1.915881076115115
Energy: 1.9166033605404609
Energy: 2.040041628803157
Energy: 1.9476288389569498
Energy: 1.9159491234628845
Energy: 1.9476288389550123
Energy: 2.1433434791066106
Energy: 2.0815652634727613
Energy: 2.639854215424129
Energy: 2.0815652634727613
Energy: 2.081027198946438
Energy: 1.9174026720122541
Energy: 1.9158847309704392
Energy: 1.9174026720122541
Energy: 1.9492345551748274
Energy: 1.9176636070512358
Energy: 1.9159283642881901
Energy: 1.9176636070492983
Energy: 1.906903637532595
Energy: 1.9476426364573374
Energy: 2.5927505454805937
Energy: 1.9476426364592752
Energy: 1.948309483846071
Energy: 1.9172345035431644
Energy: 1.941807249504031
Energy: 1.9172345035431644
Energy: 2.6179737903008027
Energy: 1.9428741744312863
Energy: 1.9410899146044223
Energy: 1.9428741744293487
Energy: 2.5994564915202023
Energy: 1.969316478884371
Energy: 2.0988205004258322
Energy: 1.969316478884371
Energy: 2.5984926053377633
Energy: 1.8817641243963388
Energy: 2.1024476034366604
Energy: 1.8817641243963388
Energy: 2.5990962834136346
Energy: 1.908099805874978
Energy: 1.9236293091342358
Energy: 1.908099805874978
Energy: 1.9484368062448
Energy: 1.9167517764891342
Energy: 1.94120231598618
Energy: 1.9167517764891342

minimum gb energy = 1.8812989190237002 eV
minimum distance =  2.49386849936505 Angstroms
sigma value = 17


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

Energy: 2.45994274192891
Energy: 2.008322892684043
Energy: 2.0631022899303484
Energy: 2.008322892684043
Energy: 2.547144598773442
Energy: 2.0189901528054612
Energy: 2.010486891332602
Energy: 2.0189901528065586
Energy: 2.037041380208933
Energy: 2.0032657771791813
Energy: 1.9893941135209516
Energy: 2.003265777178084
Energy: 1.984243837728299
Energy: 1.973940693953331
Energy: 2.010554235949887
Energy: 1.9739406939544282
Energy: 1.9779416420233396
Energy: 2.019119296042503
Energy: 2.4120516464067694
Energy: 2.0191192960435997
Energy: 2.352248383852641
Energy: 1.9700913598252883
Energy: 2.0376555268664247
Energy: 1.9700913598252883
Energy: 2.0750979002947125
Energy: 1.9691041669833131
Energy: 2.4120248124568615
Energy: 1.9691041669844105
Energy: 2.0643430424488742
Energy: 1.9747949932405973
Energy: 2.447060802760936
Energy: 1.9747949932405973
Energy: 2.000763156224912
Energy: 1.9869322306688384
Energy: 1.9838854733637652
Energy: 1.9869322306688384
Energy: 2.413792675272081
Energy: 2.0291291221284595
Energy: 2.0051152569202206
Energy: 2.0291291221295573
Energy: 2.0114259832581713
Energy: 1.9910566948562995
Energy: 2.415704544630131
Energy: 1.9910566948562995
Energy: 2.00452911343089
Energy: 1.9869480937078514
Energy: 2.1121118692476655
Energy: 1.9869480937122408
Energy: 2.413962820182909
Energy: 2.0534568398415574
Energy: 2.11338529927738
Energy: 2.0534568398404605
Energy: 2.0044645288710194
Energy: 1.9914688964992382
Energy: 2.0640138783553836
Energy: 1.9914688965003355
Energy: 2.004644228429547
Energy: 1.9696839430939794
Energy: 2.5130280055225627
Energy: 1.969683943091785
Energy: 2.568125606428021
Energy: 1.9870175768846958
Energy: 1.9820828344054842
Energy: 1.9870175768846958
Energy: 2.021300150634681
Energy: 2.024975264243159
Energy: 2.004955004455727
Energy: 2.024975264243159
Energy: 2.0021114580149595
Energy: 2.0587002443813556
Energy: 2.538160547287209
Energy: 2.0587002443758693
Energy: 2.271270871940654
Energy: 1.9706135446382278
Energy: 2.412098215248762
Energy: 1.9706135446404227
Energy: 2.586789998428682
Energy: 1.9715613889737211
Energy: 2.4144878390955204
Energy: 1.9715613889737211
Energy: 1.9832982784552162
Energy: 2.0131696646408543
Energy: 2.600554252414505
Energy: 2.0131696646353676
Energy: 1.9830395999777461
Energy: 1.9873741704824501
Energy: 2.0127725195511403
Energy: 1.9873741704802554
Energy: 2.620512127422789
Energy: 1.9981799254196577
Energy: 2.0160312528857487
Energy: 1.998179925420755
Energy: 2.441471306594146
Energy: 2.020205124331816
Energy: 2.100198946779546
Energy: 2.0202051243340113
Energy: 2.4454489855498456
Energy: 2.018861441145863
Energy: 2.38631552123561
Energy: 2.0188614411469605
Energy: 2.665902428740374
Energy: 1.99835928994356
Energy: 2.0106265650440145
Energy: 1.9983592899413654
Energy: 1.9833636070448966
Energy: 1.9873123599665756
Energy: 2.016338547461329
Energy: 1.9873123599687703
Energy: 1.9841175264734832
Energy: 1.9741806382728821
Energy: 2.6159834867381546
Energy: 1.974180638275077
Energy: 2.038424098168548
Energy: 2.029463614122454
Energy: 2.412234056491574
Energy: 2.029463614121407
Energy: 2.074869893230626
Energy: 1.9702245138151853
Energy: 2.035451881401564
Energy: 1.9702245138129904

minimum gb energy = 1.9691041669833131 eV
minimum distance =  2.50890223747802 Angstroms
sigma value = 53


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

Energy: 1.8698887724762165
Energy: 1.7876180246405122
Energy: 2.1307286107330463
Energy: 1.7876180246405122
Energy: 1.8702970829170313
Energy: 1.7875266978300808
Energy: 1.8701804254564611
Energy: 1.7875266978300808
Energy: 2.565565524333412
Energy: 1.8303729780935791
Energy: 1.9965826913435452
Energy: 1.8303729780935791
Energy: 1.9966079459287747
Energy: 1.8303652751347361
Energy: 2.5656884702742717
Energy: 1.8303652751347361
Energy: 1.8702030133726413
Energy: 1.7875387122347612
Energy: 1.8705323584723015
Energy: 1.7875387122347612
Energy: 3.972324471133356
Energy: 1.7876180246405122
Energy: 1.8698887724762165
Energy: 1.7876180246405122
Energy: 1.8701804254564611
Energy: 1.7875266978275548
Energy: 1.8702970829170313
Energy: 1.7875266978300808
Energy: 1.9965826913435452
Energy: 1.830372978091053
Energy: 2.565565524333412
Energy: 1.8303729780935791
Energy: 2.5656884702742717
Energy: 1.8303652751347361
Energy: 1.9966079459287747
Energy: 1.8303652751322097
Energy: 1.8705323584723015
Energy: 1.7875387122347612
Energy: 1.870203013370115
Energy: 1.7875387122347612
Energy: 1.8698887724762165
Energy: 1.7876180246405122
Energy: 2.1307286106497396
Energy: 1.7876180246379865
Energy: 1.8702970829170313
Energy: 1.7875266978300808
Energy: 1.8701804254564611
Energy: 1.7875266978275548
Energy: 2.5655655243308852
Energy: 1.8303729780935791
Energy: 1.9965826913435452
Energy: 1.8303729780935791

minimum gb energy = 1.7875266978275548 eV
minimum distance =  2.48326482588599 Angstroms
sigma value = 9


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

Energy: 2.3067292780396764
Energy: 2.3953940138207788
Energy: 2.43815548082021
Energy: 2.395394013822649
Energy: 2.608386223298126
Energy: 2.038137910580542
Energy: 2.1625721259874213
Energy: 2.0381379105814768
Energy: 2.187954634413751
Energy: 2.0699300246106493
Energy: 2.1663884450850044
Energy: 2.069930024609714
Energy: 2.182723710621503
Energy: 2.085517680168669
Energy: 2.1629245677638127
Energy: 2.0855176801705393
Energy: 2.187720252028017
Energy: 2.0612559995312005
Energy: 2.600790042914711
Energy: 2.0612559995312005
Energy: 2.6111511370175218
Energy: 2.172239082524554
Energy: 2.278824915800573
Energy: 2.1722390825301643
Energy: 2.1361416546632617
Energy: 2.03967982734671
Energy: 2.618851758864853
Energy: 2.03967982734671
Energy: 2.1629490130027462
Energy: 2.093093052308639
Energy: 2.1872300375179887
Energy: 2.093093052305834
Energy: 2.1353887951950403
Energy: 2.067345840927596
Energy: 2.183860410934809
Energy: 2.067345840927596
Energy: 2.2681465609487943
Energy: 2.062596520281701
Energy: 2.2391984539582483
Energy: 2.0625965202873107
Energy: 2.1418707206765197
Energy: 2.1534300116112073
Energy: 2.618747005750395
Energy: 2.1534300116112073
Energy: 2.625600756035059
Energy: 2.0618592837953122
Energy: 2.127810457620493
Energy: 2.061859283800922
Energy: 2.231146584224696
Energy: 2.0909953729684663
Energy: 2.1309133892553747
Energy: 2.090995372958181
Energy: 2.188125983154931
Energy: 2.0822565344453547
Energy: 2.279555404730285
Energy: 2.08225653444068
Energy: 2.1879707023835895
Energy: 2.0938497436568384
Energy: 2.127664116825858
Energy: 2.0938497436530987
Energy: 2.632734561331916
Energy: 2.0910984332545364
Energy: 2.126694664755383
Energy: 2.0910984332592113
Energy: 2.2680198873397903
Energy: 2.15627002255788
Energy: 2.6445443186537205
Energy: 2.156270022556945
Energy: 2.137583480145957
Energy: 2.1534839604996625
Energy: 2.240019921739056
Energy: 2.1534839605080776
Energy: 2.626323486874255
Energy: 2.0561830196316144
Energy: 2.1860812127726845
Energy: 2.056183019624134
Energy: 2.135986486083912
Energy: 2.0912703177680227
Energy: 2.218966635912617
Energy: 2.0912703177643257
Energy: 2.16217895709836
Energy: 2.093283690580651
Energy: 2.233989882252978
Energy: 2.093283690578781
Energy: 2.310202894471443
Energy: 2.115138120076334
Energy: 2.277295557694804
Energy: 2.115138120079139
Energy: 2.208497808731658
Energy: 2.172650244902717
Energy: 2.277257422357135
Energy: 2.172650244908327
Energy: 2.1870626312281995
Energy: 2.082809997583993
Energy: 2.6562535406054546
Energy: 2.0828099975858203
Energy: 2.1958126451063125
Energy: 2.093524422260576
Energy: 2.1600537237745234
Energy: 2.093524422255901
Energy: 2.2495135461464706
Energy: 2.114912209569815
Energy: 2.158721135593045
Energy: 2.114912209573555
Energy: 2.6113727480343765
Energy: 2.1310713751211265
Energy: 2.3616985156788477
Energy: 2.131071375124866
Energy: 2.3061556740572375
Energy: 2.1307457125163487
Energy: 2.3611357665308197
Energy: 2.1307457125182188
Energy: 2.61391803742165
Energy: 2.11573957880592
Energy: 2.160322282937389
Energy: 2.1157395788105524
Energy: 2.1816832747990156
Energy: 2.1090180727370686
Energy: 2.1593945568643957
Energy: 2.1090180727370686
Energy: 2.170969275356178
Energy: 2.082070905508715
Energy: 2.6267869555146506
Energy: 2.08207090550404
Energy: 2.2082811223829952
Energy: 2.112769110090054
Energy: 2.2776501168804564
Energy: 2.112769110087249
Energy: 2.6587744010198486
Energy: 2.1134954324049615
Energy: 2.277562932422888
Energy: 2.113495432415204
Energy: 2.1481649280430344
Energy: 2.093800151999272
Energy: 2.2340342406351343
Energy: 2.093800151998337
Energy: 2.1438440324824053
Energy: 2.091001346434048
Energy: 2.2209249677956264
Energy: 2.0910013464349833

minimum gb energy = 2.038137910580542 eV
minimum distance =  2.4453349414959 Angstroms
sigma value = 73


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

Energy: 2.395935720299942
Energy: 2.262090351667872
Energy: 2.388481892490919
Energy: 2.2620903516663886
Energy: 2.39558136584746
Energy: 2.113795855454325
Energy: 2.2067308735896343
Energy: 2.1137958554558085
Energy: 2.2553356187228886
Energy: 2.165398842675325
Energy: 2.240626360964372
Energy: 2.165398842675325
Energy: 2.273060625217304
Energy: 2.126078692593343
Energy: 2.2057239831220405
Energy: 2.126078692593343
Energy: 2.3290752347111705
Energy: 2.1258431226861925
Energy: 2.381722955945671
Energy: 2.1258431226861925
Energy: 2.858324893073612
Energy: 2.225368852212891
Energy: 2.1739170441848668
Energy: 2.225368852209924
Energy: 2.154048911691133
Energy: 2.099590969098913
Energy: 2.381906794604616
Energy: 2.0995909691003964
Energy: 2.1537238046455824
Energy: 2.1259422447605743
Energy: 2.383117020689813
Energy: 2.1259422447605743
Energy: 2.451315597083061
Energy: 2.1654440513089606
Energy: 2.2069546972144707
Energy: 2.1654440513119275
Energy: 2.1535460781891502
Energy: 2.1652511503759904
Energy: 2.205229851516485
Energy: 2.1652511503745075
Energy: 2.153503644518185
Energy: 2.1260986282270222
Energy: 2.387108454316979
Energy: 2.126098628225539
Energy: 2.4509401538446403
Energy: 2.21657222119594
Energy: 2.3827787124234896
Energy: 2.2165722211944563
Energy: 2.33119759084917
Energy: 2.2258619820418395
Energy: 2.1739734866061577
Energy: 2.2258619820418395
Energy: 2.2558191243462113
Energy: 2.1442561391702584
Energy: 2.7612795635334884
Energy: 2.1442561391702584
Energy: 2.277713954676029
Energy: 2.1258200777570164
Energy: 2.2062601191805458
Energy: 2.1258200777570164
Energy: 2.328656203298699
Energy: 2.165459049371781
Energy: 2.198479421554298
Energy: 2.165459049371781
Energy: 2.395573624291721
Energy: 2.253459082373341
Energy: 2.5873122645804743
Energy: 2.253459082373341
Energy: 2.3952421784176057
Energy: 2.254067673207147
Energy: 2.5836150905114077
Energy: 2.2540676732056633
Energy: 2.625528268922799
Energy: 2.200671286563399
Energy: 2.205289770594736
Energy: 2.200671286563399
Energy: 2.2705124441181437
Energy: 2.1641761884137494
Energy: 2.1984062961309494
Energy: 2.1641761884152326
Energy: 2.256000871598021
Energy: 2.148600382329856
Energy: 2.7653416269627655
Energy: 2.1486003823313387
Energy: 2.3288197838606997
Energy: 2.2194447428183386
Energy: 2.174020186151557
Energy: 2.2194447428183386

minimum gb energy = 2.099590969098913 eV
minimum distance =  2.41058593380547 Angstroms
sigma value = 7


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

Energy: 2.4858020685433346
Energy: 2.2865764020541524
Energy: 2.4724148964358568
Energy: 2.286576402055201
Energy: 2.492654524273691
Energy: 2.1907700225743385
Energy: 2.3679933666459525
Energy: 2.1907700225764364
Energy: 2.29115698504842
Energy: 2.1702586392692846
Energy: 2.1975413065721123
Energy: 2.1702586392692846
Energy: 2.382827114799108
Energy: 2.1452062579286033
Energy: 2.2906858722939307
Energy: 2.1452062579286033
Energy: 2.492241704370041
Energy: 2.170102612562092
Energy: 2.163311239355466
Energy: 2.170102612561043
Energy: 2.3352687856712127
Energy: 2.1455822081233342
Energy: 2.163903980914081
Energy: 2.1455822081233342
Energy: 2.259412204892797
Energy: 2.1668477600422813
Energy: 2.540631173970963
Energy: 2.1668477600433302
Energy: 2.1680328755360416
Energy: 2.145007402219003
Energy: 2.4451374776566928
Energy: 2.145007402219003
Energy: 2.5399385620687798
Energy: 2.211899044232663
Energy: 2.19935882610377
Energy: 2.211899044232663
Energy: 2.1978719108562506
Energy: 2.1457457512396703
Energy: 2.383321482922309
Energy: 2.145745751238621
Energy: 2.198215747967964
Energy: 2.2131410363847275
Energy: 2.4447224560528316
Energy: 2.2131410363847275
Energy: 2.6963460585899814
Energy: 2.1448799680867916
Energy: 2.4914465862025814
Energy: 2.1448799680867916
Energy: 2.6949583011668103
Energy: 2.2447120740806144
Energy: 2.495286415491349
Energy: 2.2447120740806144
Energy: 2.2012699327992205
Energy: 2.2123983435770103
Energy: 2.2479778319561348
Energy: 2.212398343578059
Energy: 2.197434929277059
Energy: 2.2289054177337
Energy: 2.3513312277102436
Energy: 2.2289054177337
Energy: 2.5404503901921998
Energy: 2.3008909788461964
Energy: 2.2927513989386776
Energy: 2.3008909788472454
Energy: 2.1630530818732816
Energy: 2.1453693692505937
Energy: 2.500480325168576
Energy: 2.145369369249545
Energy: 2.1643885653879478
Energy: 2.1698763347934604
Energy: 2.5410990510480795
Energy: 2.1698763347945094
Energy: 2.420085414654929
Energy: 2.191661243863293
Energy: 2.1635168115426033
Energy: 2.1916612438611955
Energy: 2.491381542243299
Energy: 2.1703954884103647
Energy: 2.1638032003887084
Energy: 2.1703954884124625
Energy: 2.317347663090855
Energy: 2.1837110580268213
Energy: 2.290564389578955
Energy: 2.1837110580257724
Energy: 2.29288943365496
Energy: 2.1701439508307905
Energy: 2.2034717350317674
Energy: 2.1701439508297415
Energy: 2.494368338502628
Energy: 2.161831878810036
Energy: 2.2903194656352888
Energy: 2.161831878810036
Energy: 2.4908914929155275
Energy: 2.28631362427602
Energy: 2.7033140524971246
Energy: 2.28631362427602
Energy: 2.4918325915093793
Energy: 2.1448958385607715
Energy: 2.3495121443871896
Energy: 2.1448958385597225
Energy: 2.4563411425071595
Energy: 2.170273496217482
Energy: 2.197494665744023
Energy: 2.170273496217482
Energy: 2.3812676752159287
Energy: 2.145256020086323
Energy: 2.1986751235951285
Energy: 2.1452560200852746
Energy: 2.5022563832232048
Energy: 2.1698780218183615
Energy: 2.5399867887533905
Energy: 2.1698780218204594
Energy: 2.4811837347526073
Energy: 2.144961375627197
Energy: 2.163572730224426
Energy: 2.144961375627197
Energy: 2.5397701326606024
Energy: 2.1663960104946822
Energy: 2.5397706096105854
Energy: 2.1663960104946822
Energy: 2.1635708655218724
Energy: 2.1449530519230304
Energy: 2.4811837347526073
Energy: 2.1449530519230304

minimum gb energy = 2.1448799680867916 eV
minimum distance =  2.46472172656824 Angstroms
sigma value = 29


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

Energy: 2.101321458540903
Energy: 2.112171993122445
Energy: 2.4675140615029463
Energy: 2.112171993122445
Energy: 2.60151608889407
Energy: 2.078806819113672
Energy: 2.1334112030408217
Energy: 2.078806819114403
Energy: 2.467347670629223
Energy: 2.044077099759328
Energy: 2.0649180952991952
Energy: 2.044077099759328
Energy: 2.5990646343189523
Energy: 2.1706088982359533
Energy: 2.06613379361297
Energy: 2.1706088982366842
Energy: 2.602323520294079
Energy: 2.045047595262184
Energy: 2.0647565003545965
Energy: 2.045047595260763
Energy: 2.4381266824493073
Energy: 2.044636348983839
Energy: 2.064831184729251
Energy: 2.0446363489848944
Energy: 2.655713087588574
Energy: 2.043857320177935
Energy: 2.9548551915922894
Energy: 2.0438573201783004
Energy: 2.1003253733471587
Energy: 2.0445852026288938
Energy: 2.9572968543308726
Energy: 2.0445852026292592
Energy: 2.598323176099627
Energy: 2.0447041564782444
Energy: 2.066227030217947
Energy: 2.0447041564782444

minimum gb energy = 2.043857320177935 eV
minimum distance =  2.51332071960126 Angstroms
sigma value = 5


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

Energy: 2.428379288851764
Energy: 2.1918820922626017
Energy: 2.975882019408887
Energy: 2.1918820922606197
Energy: 2.3966827667646395
Energy: 2.1717858056795736
Energy: 2.3690395175959447
Energy: 2.171785805677592
Energy: 2.248537826016521
Energy: 2.1426993233737
Energy: 2.2215223816834917
Energy: 2.1426993233746914
Energy: 2.248773627595446
Energy: 2.145961241947091
Energy: 2.3624783142779346
Energy: 2.1459612419461
Energy: 2.1925851970453385
Energy: 2.0989784771244215
Energy: 2.189874287144399
Energy: 2.0989784771254127
Energy: 2.309052943251689
Energy: 2.117577749057672
Energy: 2.1898506123772554
Energy: 2.1175777490547
Energy: 2.396590268425721
Energy: 2.1020546964295654
Energy: 2.2920979328253597
Energy: 2.1020546964265927
Energy: 2.399308035750215
Energy: 2.1019688586800673
Energy: 2.4859734389374855
Energy: 2.1019688586810585
Energy: 2.6102817016343494
Energy: 2.132547384471141
Energy: 2.407696964490812
Energy: 2.132547384471141
Energy: 2.5763372226059014
Energy: 2.1324951918080224
Energy: 2.4106580314727974
Energy: 2.1324951918109947
Energy: 2.2289660668539977
Energy: 2.0994720614733136
Energy: 2.2591683744883917
Energy: 2.0994720614693505
Energy: 2.2285875249536797
Energy: 2.099374142566534
Energy: 2.211576722326003
Energy: 2.0993741425695065
Energy: 2.4654970786989887
Energy: 2.3108954183027977
Energy: 2.211165241261271
Energy: 2.3108954183008157
Energy: 2.189564480568832
Energy: 2.098997613998328
Energy: 2.2102459049028034
Energy: 2.098997613998328
Energy: 2.266884381173174
Energy: 2.2352830180291705
Energy: 2.4328339240427113
Energy: 2.2352830180281797
Energy: 2.785021792261685
Energy: 2.135883244831137
Energy: 2.3976941348900973
Energy: 2.135883244836091
Energy: 2.43212965906902
Energy: 2.1325155052529
Energy: 2.4353662729636416
Energy: 2.1325155052519094
Energy: 2.2374839547196483
Energy: 2.101862515959093
Energy: 2.489971652813702
Energy: 2.1018625159610744
Energy: 2.3993074708914266
Energy: 2.128800915779835
Energy: 2.301482457015402
Energy: 2.1288009157818166
Energy: 2.2128086714636193
Energy: 2.1308941462407116
Energy: 2.1911480500746996
Energy: 2.130894146237739
Energy: 2.212969448630822
Energy: 2.145877020151244
Energy: 2.261126541953386
Energy: 2.145877020150253
Energy: 2.45210728679237
Energy: 2.0991515357395762
Energy: 2.222069858276427
Energy: 2.0991515357375943
Energy: 2.2490275258528594
Energy: 2.0994662922621905
Energy: 2.221632021459007
Energy: 2.0994662922661544
Energy: 2.575843347595248
Energy: 2.1577625737654302
Energy: 2.4929115881064097
Energy: 2.1577625737634487
Energy: 2.6477184012267556
Energy: 2.1578627350069977
Energy: 2.942226507297395
Energy: 2.1578627350079884
Energy: 2.5178649884476996
Energy: 2.0995284238416145
Energy: 2.2218791850848962
Energy: 2.0995284238386422
Energy: 2.3481951882101795
Energy: 2.099296282461137
Energy: 2.221867227347619
Energy: 2.099296282462128
Energy: 2.212929418674356
Energy: 2.2258345253521457
Energy: 2.490912163139095
Energy: 2.2258345253521457
Energy: 2.212651861217094
Energy: 2.0994268056478824
Energy: 2.1949327935899277
Energy: 2.0994268056449097
Energy: 2.4352049345749727
Energy: 2.2724336254197848
Energy: 2.2887833231410406
Energy: 2.2724336254217667
Energy: 2.3106788538972816
Energy: 2.1022119674210087
Energy: 2.4838801247958746
Energy: 2.1022119674190267
Energy: 2.362637686921747
Energy: 2.1549955142871573
Energy: 2.407612817420485
Energy: 2.1549955142871573
Energy: 2.8640480233167134
Energy: 2.1335336182670295
Energy: 2.4022961645846643
Energy: 2.133533618265048

minimum gb energy = 2.0989784771244215 eV
minimum distance =  2.40958425086354 Angstroms
sigma value = 1


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

Energy: 2.1835978049167357
Energy: 2.016619780949932
Energy: 2.627807030910152
Energy: 2.016619780949932
Energy: 2.237774470128115
Energy: 2.0544819670890013
Energy: 2.2497416206305956
Energy: 2.0544819670890013
Energy: 2.347887328420889
Energy: 2.011887239506991
Energy: 2.2305808700374645
Energy: 2.011887239505621
Energy: 2.247571780620141
Energy: 2.0122927959913723
Energy: 2.2514066730133346
Energy: 2.0122927959913723
Energy: 2.138637132195176
Energy: 2.017054652726179
Energy: 2.1383905493125175
Energy: 2.0170546527248088
Energy: 2.1388111196508284
Energy: 2.08213868329315
Energy: 2.1387931316483586
Energy: 2.08213868329315
Energy: 2.2302831820220437
Energy: 2.0128804723937503
Energy: 2.351549594663667
Energy: 2.0128804723951204
Energy: 2.230479385753228
Energy: 2.0132138483526014
Energy: 2.348357421250919
Energy: 2.0132138483526014
Energy: 2.514623387434524
Energy: 2.0145390875422673
Energy: 2.1836632251938415
Energy: 2.0145390875436373
Energy: 2.514623387434524
Energy: 2.0145375943371646
Energy: 2.1835955325151666
Energy: 2.0145375943371646
Energy: 2.2308429770587654
Energy: 2.0132206340171996
Energy: 2.348357421250919
Energy: 2.0132206340171996
Energy: 2.2302451107537267
Energy: 2.012865063015464
Energy: 2.351549594663667
Energy: 2.0128650630168337
Energy: 2.138744285976253
Energy: 2.0821456546958355
Energy: 2.1387944107645347
Energy: 2.082145654697206
Energy: 2.138634046875469
Energy: 2.0170107896045244
Energy: 2.138358415421641
Energy: 2.0170107896045244
Energy: 2.247561576179817
Energy: 2.0120889593833953
Energy: 2.251131665411915
Energy: 2.0120889593847657
Energy: 2.347887328419519
Energy: 2.0118861361445757
Energy: 2.230581984329111
Energy: 2.0118861361445757
Energy: 2.2376838260900844
Energy: 2.054320751785033
Energy: 2.2498679545921947
Energy: 2.054320751785033
Energy: 2.1835978049167357
Energy: 2.016619780949932
Energy: 2.627807030914262
Energy: 2.016619780948562
Energy: 2.237774470128115
Energy: 2.0544819670903713
Energy: 2.2497416206305956
Energy: 2.0544819670903713
Energy: 2.347887328420889
Energy: 2.011887239505621
Energy: 2.2305808700374645
Energy: 2.011887239506991
Energy: 2.2475717806215116
Energy: 2.0122927959913723
Energy: 2.251406673011964
Energy: 2.0122927959913723
Energy: 2.138637132193806
Energy: 2.017054652726179
Energy: 2.1383905493125175
Energy: 2.017054652726179
Energy: 2.1388111196508284
Energy: 2.08213868329315
Energy: 2.1387931316483586
Energy: 2.08213868329315
Energy: 2.2302831820220437
Energy: 2.0128804723951204
Energy: 2.351549594663667
Energy: 2.0128804723937503

minimum gb energy = 2.0118861361445757 eV
minimum distance =  2.4331325386737 Angstroms
sigma value = 17


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

Energy: 2.620699229786686
Energy: 2.1042151750301312
Energy: 2.8486942701038758
Energy: 2.1042151750335183
Energy: 2.2771488990355317
Energy: 2.082616796068607
Energy: 2.2998988639571274
Energy: 2.082616796064373
Energy: 2.2171088641853385
Energy: 2.019711824539752
Energy: 2.183488616673227
Energy: 2.0197118245372114
Energy: 2.24600754602099
Energy: 2.093629307813605
Energy: 2.39447400186977
Energy: 2.093629307820379
Energy: 2.1482833615678563
Energy: 2.014081789743625
Energy: 2.166635738824191
Energy: 2.014081789749553
Energy: 2.2835861344131363
Energy: 2.051917994512249
Energy: 2.166999869524149
Energy: 2.051917994511402
Energy: 2.1793231729745153
Energy: 2.0136625979909457
Energy: 2.1930264344581225
Energy: 2.013662597990099
Energy: 2.1797378425959786
Energy: 2.012123353205742
Energy: 2.1787133773654177
Energy: 2.012123353201508
Energy: 2.4896595938169437
Energy: 2.054393027605887
Energy: 2.5337039774104295
Energy: 2.0543930276075804
Energy: 2.198524234714853
Energy: 2.054679339167388
Energy: 2.4101852033481137
Energy: 2.0546793391682354
Energy: 2.3340086987184545
Energy: 2.040680877163306
Energy: 2.1780048772971363
Energy: 2.040680877158225
Energy: 2.3376247379143864
Energy: 2.0407090885524557
Energy: 2.237168080775131
Energy: 2.040709088551609
Energy: 2.198047754026084
Energy: 2.0188542734688126
Energy: 2.1880041778151473
Energy: 2.0188542734679666
Energy: 2.151386351121952
Energy: 2.013762331511214
Energy: 2.187833376426317
Energy: 2.0137623315103674
Energy: 2.150705941353979
Energy: 2.0301709145890676
Energy: 2.2696232672133805
Energy: 2.0301709145916083
Energy: 2.1507302551913074
Energy: 2.0135745256811814
Energy: 2.1442626419116007
Energy: 2.013574525683721
Energy: 2.395733127996803
Energy: 2.0818106124639932
Energy: 2.231104401296088
Energy: 2.0818106124631464
Energy: 2.338740092758083
Energy: 2.0329779624757864
Energy: 2.4948392613941626
Energy: 2.0329779624740927
Energy: 2.3015181530688595
Energy: 2.124878099316583
Energy: 2.31578226278813
Energy: 2.1248780993275913
Energy: 2.6848439667825117
Energy: 2.056600391164788
Energy: 2.3554537171341963
Energy: 2.056600391164788
Energy: 2.2653693477319594
Energy: 2.188958557158278
Energy: 2.2695825067826454
Energy: 2.188958557158278
Energy: 2.179713997438762
Energy: 2.01425044863406
Energy: 2.1932757301656616
Energy: 2.0142504486374473
Energy: 2.358617615020063
Energy: 2.1273624739538213
Energy: 2.264886356189757
Energy: 2.1273624739538213
Energy: 2.1488615142926983
Energy: 2.013766683964986
Energy: 2.1364970265023495
Energy: 2.013766683968373
Energy: 2.1494249151777045
Energy: 2.033079167894115
Energy: 2.2469377623347047
Energy: 2.0330791679008895
Energy: 2.2184171467561487
Energy: 2.014785644028497
Energy: 2.183874275983799
Energy: 2.0147856440318845
Energy: 2.278186655281035
Energy: 2.0133652260344252
Energy: 2.338424718599591
Energy: 2.0133652260327315
Energy: 2.5548049433543274
Energy: 2.097902054343551
Energy: 2.7664034850216743
Energy: 2.097902054344398
Energy: 2.4384751110438443
Energy: 2.0976918566558767
Energy: 2.2679897228786814
Energy: 2.0976918566609575
Energy: 2.2173811397035945
Energy: 2.0146436695563823
Energy: 2.1840298209753746
Energy: 2.0146436695529952
Energy: 2.2214142072107497
Energy: 2.0127751847449447
Energy: 2.3372207533482836
Energy: 2.0127751847449447
Energy: 2.148435998775332
Energy: 2.0291361798003438
Energy: 2.166553272622535
Energy: 2.0291361798003438
Energy: 2.1490286418888833
Energy: 2.0132433847917572
Energy: 2.1392899102458105
Energy: 2.013243384785829
Energy: 2.3530027014050847
Energy: 2.014758211593209
Energy: 2.1932937393309992
Energy: 2.014758211588975
Energy: 2.1829008524520788
Energy: 2.0140272905104752
Energy: 2.1785357565344934
Energy: 2.0140272905197123
Energy: 2.2603761955124373
Energy: 2.0831646101546113
Energy: 2.368542947394334
Energy: 2.083164610150377
Energy: 2.7328093578151575
Energy: 2.0552377630564855
Energy: 2.351783435975928
Energy: 2.055237763054792
Energy: 2.301282520230813
Energy: 2.1242348175634453
Energy: 2.3945561566549873
Energy: 2.1242348175600583

minimum gb energy = 2.012123353201508 eV
minimum distance =  2.42482793146443 Angstroms
sigma value = 89


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

Energy: 2.4302355542997485
Energy: 1.9081996752598889
Energy: 2.497223789215006
Energy: 1.9081996752598889
Energy: 2.1972779661224746
Energy: 2.0122190941253835
Energy: 2.1913157160183623
Energy: 2.0122190941209523
Energy: 2.2712530416751022
Energy: 1.8917945495514878
Energy: 2.0205479351050606
Energy: 1.8917945495514878
Energy: 2.15033742684631
Energy: 1.8946655775077323
Energy: 2.2402809246493174
Energy: 1.8946655775055168
Energy: 2.055102693984303
Energy: 1.894183139998152
Energy: 2.1244695030713836
Energy: 1.8941831399959366
Energy: 2.196017083839931
Energy: 2.061961000743372
Energy: 2.1251825250549734
Energy: 2.061961000741156
Energy: 2.0555217933654353
Energy: 1.891861782133567
Energy: 2.1248042045728535
Energy: 1.891861782133567
Energy: 2.0546476447606223
Energy: 1.9112208897733136
Energy: 2.2466469133180653
Energy: 1.9112208897733136
Energy: 2.2735109575640453
Energy: 1.895031193146518
Energy: 2.0201555753084928
Energy: 1.895031193146518
Energy: 2.055589514354291
Energy: 1.8946277280882062
Energy: 2.0203200593965294
Energy: 1.8946277280882062
Energy: 2.3648518964105834
Energy: 1.893279847495481
Energy: 2.2467921839036746
Energy: 1.893279847495481
Energy: 2.250400160237279
Energy: 1.892097486860641
Energy: 2.2464825501906844
Energy: 1.8920974868628562
Energy: 2.2714025209696387
Energy: 1.8952583010888138
Energy: 2.0204744464773228
Energy: 1.8952583010888138
Energy: 2.2716241449444388
Energy: 1.8948689764071227
Energy: 2.0205237470077653
Energy: 1.8948689764071227
Energy: 2.055414435316154
Energy: 1.89488634132214
Energy: 2.247106132638657
Energy: 1.89488634132214

minimum gb energy = 1.8917945495514878 eV
minimum distance =  2.4284919702762 Angstroms
sigma value = 13


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

Energy: 2.1900556224869456
Energy: 1.84232631597978
Energy: 2.3746418135865364
Energy: 1.8423263159807088
Energy: 2.1080829355511765
Energy: 1.8434037450160852
Energy: 2.132635418161728
Energy: 1.8434037450151566
Energy: 2.1451947271251606
Energy: 1.7454769012282565
Energy: 2.1491146273921893
Energy: 1.7454769012273277
Energy: 2.0630032697387186
Energy: 1.8382671267608655
Energy: 2.1325071975880396
Energy: 1.838267126759937
Energy: 1.9387453777542432
Energy: 1.7478934975947689
Energy: 2.0918427979434266
Energy: 1.7478934975947689
Energy: 2.061409794104773
Energy: 1.7450886879176233
Energy: 2.101933003422021
Energy: 1.7450886879166947
Energy: 1.9533499816913418
Energy: 1.7450277139364025
Energy: 1.9534012865667716
Energy: 1.7450277139336166
Energy: 1.9541728393316484
Energy: 1.832853661430677
Energy: 1.9536909583937325
Energy: 1.8328536614334632
Energy: 2.079669418887331
Energy: 1.7477643367816533
Energy: 1.9385603018815907
Energy: 1.7477643367835107
Energy: 2.108790927171626
Energy: 1.745910951535601
Energy: 2.1447433505532763
Energy: 1.7459109515374582
Energy: 2.1275689450656703
Energy: 1.7444996175806817
Energy: 2.145946658523576
Energy: 1.7444996175816103
Energy: 2.1668790792839356
Energy: 1.7438660373184391
Energy: 1.9534519211109813
Energy: 1.7438660373175106
Energy: 2.038261327753805
Energy: 1.8297865495064716
Energy: 2.173369187990671
Energy: 1.8297865495064716
Energy: 2.1103078263358217
Energy: 1.8303893393858517
Energy: 2.107588592089442
Energy: 1.830389339387709
Energy: 2.1275480706088774
Energy: 1.744270771192847
Energy: 2.1451854893887443
Energy: 1.744270771193776
Energy: 2.135122677191473
Energy: 1.7436670829159169
Energy: 2.162170433208197
Energy: 1.7436670829149885
Energy: 2.039062556719056
Energy: 1.747319349950994
Energy: 1.9388683518275802
Energy: 1.7473193499491366
Energy: 2.080633208236945
Energy: 1.7453721372772
Energy: 2.147534680993028
Energy: 1.7453721372772
Energy: 1.9532987458326745
Energy: 1.742950736150756
Energy: 1.9555312160542888
Energy: 1.7429507361516847
Energy: 1.9548471613742076
Energy: 1.7430600826312197
Energy: 1.9532827161944843
Energy: 1.7430600826321483
Energy: 2.14747215490022
Energy: 1.7453860456645534
Energy: 2.0930492875857025
Energy: 1.7453860456626957
Energy: 1.938587048252919
Energy: 1.7473046734636817
Energy: 2.0390625567162695
Energy: 1.7473046734636817
Energy: 2.1621704331914815
Energy: 1.7436654280463288
Energy: 2.1350539446757875
Energy: 1.7436654280463288
Energy: 2.145185489389673
Energy: 1.7442513061655804
Energy: 2.127540865014073
Energy: 1.7442513061665093
Energy: 2.1071980095380667
Energy: 1.83031910240093
Energy: 2.110276285049446
Energy: 1.8303191024018588
Energy: 2.173347521960815
Energy: 1.8296675164324303
Energy: 2.0382613277575197
Energy: 1.829667516431502
Energy: 1.9533735331299227
Energy: 1.7438960751353056
Energy: 2.166800720983074
Energy: 1.7438960751380919
Energy: 2.145946658521719
Energy: 1.744482505115641
Energy: 2.1275323682314755
Energy: 1.7444825051165695
Energy: 2.144835183557178
Energy: 1.7459112255503095
Energy: 2.1089351753060877
Energy: 1.7459112255484521
Energy: 1.9385703291294396
Energy: 1.7477658106768315
Energy: 2.0796703281090196
Energy: 1.7477658106768315
Energy: 1.9535879913473142
Energy: 1.832886978663227
Energy: 1.9542368391821956
Energy: 1.832886978666013
Energy: 1.9533308449895528
Energy: 1.7449844351571306
Energy: 1.9533507155247047
Energy: 1.7449844351580592
Energy: 2.101724823851297
Energy: 1.7452304852987568
Energy: 2.061355861437321
Energy: 1.7452304852978282
Energy: 2.091493663471586
Energy: 1.7479058830104297
Energy: 1.9387336511040585
Energy: 1.7479058830085723
Energy: 2.1323804035298575
Energy: 1.837716782378214
Energy: 2.062621948561106
Energy: 1.8377167823791427

minimum gb energy = 1.742950736150756 eV
minimum distance =  2.45274054287816 Angstroms
sigma value = 37


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

Energy: 2.309969809466284
Energy: 1.7267455170718
Energy: 2.256495155156381
Energy: 1.7267455170718
Energy: 1.9846000392716414
Energy: 1.7752241917064435
Energy: 2.0193399053550545
Energy: 1.7752241917048457
Energy: 2.0869556783792342
Energy: 1.6443703353722097
Energy: 2.1307622047644483
Energy: 1.6443703353738075
Energy: 1.9635912395535444
Energy: 1.7039901987644634
Energy: 2.019197378996973
Energy: 1.7039901987628658
Energy: 1.9665848860439805
Energy: 1.643057330341646
Energy: 1.9781479759238532
Energy: 1.643057330341646
Energy: 1.9636661273894032
Energy: 1.6432174496854042
Energy: 2.0414414304471618
Energy: 1.6432174496854042
Energy: 1.872406852796114
Energy: 1.644647321394308
Energy: 1.912530004583213
Energy: 1.6446473213959054
Energy: 1.8733785548722968
Energy: 1.7305977133623094
Energy: 2.043085134972417
Energy: 1.7305977133607118
Energy: 1.8726616691459506
Energy: 1.6428504681540337
Energy: 1.9947764092022056
Energy: 1.6428504681540337
Energy: 1.963330866940916
Energy: 1.6433256056783183
Energy: 2.042161314643043
Energy: 1.6433256056783183
Energy: 1.9634794195499463
Energy: 1.6402934847337276
Energy: 1.9740683756957458
Energy: 1.6402934847337276
Energy: 2.0045301998855596
Energy: 1.6436994329059469
Energy: 2.0114491208720224
Energy: 1.6436994329043495
Energy: 2.0871689136079175
Energy: 1.6403043504973323
Energy: 2.022100553032694
Energy: 1.6403043504973323
Energy: 1.9898955874473987
Energy: 1.6400212699937131
Energy: 2.019219940367457
Energy: 1.6400212699921153
Energy: 2.1127257109624744
Energy: 1.7220269870031855
Energy: 1.978169031325853
Energy: 1.7220269870031855
Energy: 2.0796446255698875
Energy: 1.7631020441316412
Energy: 2.008379331196647
Energy: 1.7631020441316412
Energy: 2.087331006822703
Energy: 1.6400071036262973
Energy: 2.022175738165616
Energy: 1.6400071036262973
Energy: 1.96325611862278
Energy: 1.6403090809699192
Energy: 2.0190669963736396
Energy: 1.6403090809683218
Energy: 1.9635922857336858
Energy: 1.64003666402555
Energy: 1.9790956878707044
Energy: 1.64003666402555
Energy: 2.0125873708108166
Energy: 1.6434845613418003
Energy: 1.9786742406315465
Energy: 1.6434845613418003

minimum gb energy = 1.6400071036262973 eV
minimum distance =  2.45877781674862 Angstroms
sigma value = 25


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

Energy: 2.2234459409651204
Energy: 1.5638884903462436
Energy: 2.0669099605750385
Energy: 1.5638884903437482
Energy: 1.8795862286901555
Energy: 1.7155187193617834
Energy: 1.8513555051545947
Energy: 1.7155187193605357
Energy: 1.9062344759045866
Energy: 1.5004040738207287
Energy: 2.1723616962804564
Energy: 1.500404073816986
Energy: 1.8470643777072364
Energy: 1.5228326689335285
Energy: 1.8514849917304261
Energy: 1.5228326689272904
Energy: 1.9364820556292948
Energy: 1.4612717988021013
Energy: 1.787152032643857
Energy: 1.4612717988008534
Energy: 1.847176196396034
Energy: 1.7264564069017014
Energy: 1.8607092009268682
Energy: 1.7264564069029489
Energy: 1.737365714040455
Energy: 1.4608658644636108
Energy: 1.9196147679524493
Energy: 1.460865864462363
Energy: 1.8680922862827556
Energy: 1.4620891226920512
Energy: 1.8593676894760482
Energy: 1.4620891226908035
Energy: 1.765823800131515
Energy: 1.4606151739427295
Energy: 1.7885314734245146
Energy: 1.4606151739439772
Energy: 1.868413955309133
Energy: 1.504019297610225
Energy: 1.7901616075324565
Energy: 1.5040192976114157
Energy: 1.7720412188350134
Energy: 1.4604177219041055
Energy: 1.783056331642006
Energy: 1.4604177219053527
Energy: 1.8683106778358514
Energy: 1.461024096698088
Energy: 1.8596427765336059
Energy: 1.4610240967005832
Energy: 1.7375230961217856
Energy: 1.4578807225458177
Energy: 1.88587961336161
Energy: 1.4578807225483128
Energy: 1.8000950036087078
Energy: 1.462127332806968
Energy: 1.8529852702438467
Energy: 1.462127332806968
Energy: 1.9115936329914598
Energy: 1.45865470404356
Energy: 1.7877733455214342
Energy: 1.4586547040410647
Energy: 1.8466515693979768
Energy: 1.4602279589881277
Energy: 1.8509280138378474
Energy: 1.4602279589856892
Energy: 1.901215246336735
Energy: 1.4969511822287902
Energy: 1.8943540116134927
Energy: 1.4969511822287902
Energy: 1.8200913686351252
Energy: 1.6051292091154372
Energy: 1.8734255843426058
Energy: 1.6051292091141895
Energy: 1.9789246133743401
Energy: 1.5618100191345246
Energy: 1.7873389521979586
Energy: 1.5618100191332769
Energy: 1.8801232129222014
Energy: 1.5638270465757855
Energy: 1.8514139227871633
Energy: 1.5638270465782804
Energy: 1.9013541215009115
Energy: 1.4971215579865584
Energy: 1.8943915087177954
Energy: 1.497121557985311
Energy: 1.7993213297230302
Energy: 1.5231733366193434
Energy: 1.8732144319319604
Energy: 1.5231733366193434
Energy: 1.9112921844532182
Energy: 1.4585297887751796
Energy: 1.7877566619183345
Energy: 1.4585297887751796
Energy: 1.8469806780556852
Energy: 1.461519910156209
Energy: 1.83041485662252
Energy: 1.4615199101549614
Energy: 1.7375371936382824
Energy: 1.4579026292747728
Energy: 1.885882714617338
Energy: 1.4579026292797634
Energy: 1.8502091496971056
Energy: 1.460716847026515
Energy: 1.8533696741958945
Energy: 1.4607168470277625

minimum gb energy = 1.4578807225458177 eV
minimum distance =  2.46720403338989 Angstroms
sigma value = 41


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

Energy: 2.3405307427679385
Energy: 1.4241854048355516
Energy: 1.8866728609040575
Energy: 1.4241854048355516
Energy: 1.72704014811603
Energy: 1.5038006882313697
Energy: 1.7198019935343427
Energy: 1.5038006882303467
Energy: 1.7525041463731754
Energy: 1.3795300457167246
Energy: 2.100319076381557
Energy: 1.37953004571877
Energy: 1.7050883984589924
Energy: 1.4341817557421837
Energy: 1.7199437771389772
Energy: 1.4341817557462748
Energy: 2.076619840691958
Energy: 1.3446494493274963
Energy: 1.6499831055807963
Energy: 1.344649449328519
Energy: 1.7054656912509154
Energy: 1.3947275652997082
Energy: 1.7182914644312328
Energy: 1.3947275652997082
Energy: 1.6765628320009223
Energy: 1.323455086563323
Energy: 1.8804176932871408
Energy: 1.323455086564346
Energy: 1.727504529073227
Energy: 1.3599343186787989
Energy: 1.717426153043012
Energy: 1.3599343186808444
Energy: 1.8752895507100829
Energy: 1.3232202282100172
Energy: 1.6444470717119937
Energy: 1.3232202282079715
Energy: 1.7268671512253528
Energy: 1.3836529117736058
Energy: 1.7294078314036219
Energy: 1.3836529117736058
Energy: 1.7210433086145802
Energy: 1.3232389943698903
Energy: 1.7227250431692311
Energy: 1.3232389943739817
Energy: 1.7208648456501583
Energy: 1.3480265545022463
Energy: 1.7287103665435624
Energy: 1.348026554498155
Energy: 1.7364037371050978
Energy: 1.3229691677480544
Energy: 1.709822684800733
Energy: 1.3229691677480544
Energy: 1.724073088775636
Energy: 1.3251697980481192
Energy: 1.7276621719601526
Energy: 1.3251697980470962
Energy: 1.7158928531236637
Energy: 1.32183397630706
Energy: 1.6377202989878075
Energy: 1.3218339763050142
Energy: 1.7180860920865626
Energy: 1.32517560724057
Energy: 1.6865917874294785
Energy: 1.3251756072436387
Energy: 1.6701066194553313
Energy: 1.322318474912984
Energy: 1.7382599061170503
Energy: 1.322318474912984
Energy: 1.70634204288551
Energy: 1.3234660976896444
Energy: 1.7146922018550426
Energy: 1.3234660976927128
Energy: 1.739397778981185
Energy: 1.3434233093143015
Energy: 1.6498634438871336
Energy: 1.3434233093143015
Energy: 1.728161854360995
Energy: 1.404869869709399
Energy: 1.7115230977998561
Energy: 1.4048698697104218
Energy: 1.7511483032349873
Energy: 1.3793220304022122
Energy: 1.7848558440805586
Energy: 1.3793220304042582
Energy: 1.7275639004466716
Energy: 1.4367417952903143
Energy: 1.7198428462977635
Energy: 1.4367417952913373
Energy: 1.7859637972457676
Energy: 1.4236581588466555
Energy: 1.6494708084714171
Energy: 1.4236581588487012
Energy: 1.7569581932018226
Energy: 1.4554817383464318
Energy: 1.7118353302030807
Energy: 1.4554817383495002
Energy: 1.7501566967905136
Energy: 1.3790052548336371
Energy: 1.7848085274148624
Energy: 1.3790052548367056
Energy: 1.7054440278961849
Energy: 1.3789572760072335
Energy: 1.7200550914251165
Energy: 1.378957276006211
Energy: 1.7393176647772537
Energy: 1.3496256475567447
Energy: 1.6497169384001604
Energy: 1.3496256475536765
Energy: 1.7282225016744925
Energy: 1.3583777729389788
Energy: 1.7128899806492965
Energy: 1.3583777729379563
Energy: 1.67021094422385
Energy: 1.3217980917581584
Energy: 1.7383831186325522
Energy: 1.321798091761227
Energy: 1.7247579445656012
Energy: 1.324230482004075
Energy: 1.7147982450411026
Energy: 1.324230482004075
Energy: 1.716819016375493
Energy: 1.3221301736942963
Energy: 1.6378922748351146
Energy: 1.3221301736922508
Energy: 1.718137084442977
Energy: 1.3247414650683271
Energy: 1.7724825791515622
Energy: 1.32474146506935

minimum gb energy = 1.3217980917581584 eV
minimum distance =  2.46772832965533 Angstroms
sigma value = 15


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

Energy: 2.2321505008147158
Energy: 1.3220174834773801
Energy: 1.7444075561686996
Energy: 1.3220174834791132
Energy: 1.6197208793906726
Energy: 1.3704428939975537
Energy: 1.5971916552130414
Energy: 1.3704428940096842
Energy: 1.6261570741424567
Energy: 1.2805933461011758
Energy: 2.0410299288593947
Energy: 1.2805933461063745
Energy: 1.6051866849199912
Energy: 1.5398676507333056
Energy: 1.5971733432185815
Energy: 1.5398676507307059
Energy: 2.0150341886294383
Energy: 1.25383597163257
Energy: 1.5431714776211618
Energy: 1.2538359716291043
Energy: 1.605056101006864
Energy: 1.2817608258851803
Energy: 1.5967035642556906
Energy: 1.281760825886913
Energy: 1.5497255629794844
Energy: 1.228563722518241
Energy: 1.8500327264538747
Energy: 1.228563722525173
Energy: 1.6044573284959216
Energy: 1.262133618041304
Energy: 1.5968489055122397
Energy: 1.2621336180465028
Energy: 1.8357384970219917
Energy: 1.2157848091067762
Energy: 1.5307489479336558
Energy: 1.2157848091119752
Energy: 1.6051978095019948
Energy: 1.2405336200223491
Energy: 1.6105848948354404
Energy: 1.2405336200223491
Energy: 1.5860947358669912
Energy: 1.2156714576854877
Energy: 1.6968428954949664
Energy: 1.2156714576837546
Energy: 1.6113601085488798
Energy: 1.2524017245819674
Energy: 1.6112530121464297
Energy: 1.2524017245828338
Energy: 1.6935333971131143
Energy: 1.2174232897208817
Energy: 1.579054054635345
Energy: 1.2174232897260806
Energy: 1.6108657464577016
Energy: 1.229828320673584
Energy: 1.6104328282945604
Energy: 1.2298283206813825
Energy: 1.6565616871887012
Energy: 1.2155081069488913
Energy: 1.5848015406934932
Energy: 1.2155081069462919
Energy: 1.6106647048260407
Energy: 1.2294309375641532
Energy: 1.6088245926671587
Energy: 1.2294309375572212
Energy: 1.5931323363734702
Energy: 1.218853675904853
Energy: 1.6627190144302024
Energy: 1.2188536759091855
Energy: 1.607720754742677
Energy: 1.2178053654379366
Energy: 1.6044917903443825
Energy: 1.217805365433604
Energy: 1.615069970899061
Energy: 1.2182064724005142
Energy: 1.5251247355141753
Energy: 1.218206472402247
Energy: 1.6024118027869299
Energy: 1.2394864926053388
Energy: 1.6019666991968584
Energy: 1.2394864926114044
Energy: 1.5448147986324623
Energy: 1.232577189165039
Energy: 1.6429613140158899
Energy: 1.2325771891546415
Energy: 1.5886940037489894
Energy: 1.2658975044072571
Energy: 1.6104253997260671
Energy: 1.2658975044003253
Energy: 1.6444240481991879
Energy: 1.2504971962285742
Energy: 1.5386619124843215
Energy: 1.2504971962329066
Energy: 1.604957261821526
Energy: 1.3259966645172927
Energy: 1.5973831430330276
Energy: 1.3259966645077619
Energy: 1.626351625433681
Energy: 1.2844516485902617
Energy: 1.6861975722982268
Energy: 1.2844516485867958
Energy: 1.604689823713188
Energy: 1.3471208434326196
Energy: 1.6269119355344688
Energy: 1.3471208434282875
Energy: 1.686048494464289
Energy: 1.3214256259420614
Energy: 1.8812187103082887
Energy: 1.3214256259403283
Energy: 1.6195886973765161
Energy: 1.3729430211555296
Energy: 1.597398768503964
Energy: 1.3729430211503306
Energy: 1.6346638546946954
Energy: 1.2839905964087626
Energy: 1.68591256841926
Energy: 1.2839905964104956
Energy: 1.5887052530993164
Energy: 1.2955765554899283
Energy: 1.6269502480822031
Energy: 1.2955765554881955
Energy: 1.6441680556856872
Energy: 1.2564521347597981
Energy: 1.5388464450318378
Energy: 1.2564521347528663
Energy: 1.6049620808530602
Energy: 1.2833743596990748
Energy: 1.6017950773779983
Energy: 1.2833743597042737
Energy: 1.5593870647139016
Energy: 1.2325891700269505
Energy: 1.6429024445186933
Energy: 1.2325891700191522
Energy: 1.6076534511766378
Energy: 1.2367260937262654
Energy: 1.6101274166680624
Energy: 1.2367260937314641
Energy: 1.615053027164714
Energy: 1.2191173881459663
Energy: 1.6066204096429622
Energy: 1.2191173881451
Energy: 1.6024855093691828
Energy: 1.2381626747858896
Energy: 1.6091500277461714
Energy: 1.238162674788489
Energy: 1.585915462926945
Energy: 1.2193107150205793
Energy: 1.6625206407443216
Energy: 1.219310715034443

minimum gb energy = 1.2155081069462919 eV
minimum distance =  2.4747675858445 Angstroms
sigma value = 85


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

Energy: 2.168174340929883
Energy: 1.2601543922285274
Energy: 1.6094749046867136
Energy: 1.2601543922292788
Energy: 1.5154230591895497
Energy: 1.3282822821036857
Energy: 1.5209915939647032
Energy: 1.3282822821104494
Energy: 1.5108422791725966
Energy: 1.2307482729044885
Energy: 2.122947838388231
Energy: 1.2307482729059913
Energy: 1.4930638779672079
Energy: 1.218926213672491
Energy: 1.5209094635121223
Energy: 1.218926213669485
Energy: 1.965171152509934
Energy: 1.1773147089345966
Energy: 1.4407636387234957
Energy: 1.177314708933845
Energy: 1.4933644655333214
Energy: 1.34737811127843
Energy: 1.5002182968659212
Energy: 1.3473781004069076
Energy: 1.4444954478023828
Energy: 1.163059754920069
Energy: 1.9350948542378756
Energy: 1.163059754920069
Energy: 1.4915540696481102
Energy: 1.1535754763876054
Energy: 1.5001328634883657
Energy: 1.1535754763883566
Energy: 1.7931603689486224
Energy: 1.12772682377246
Energy: 1.4928808323648504
Energy: 1.1277268237732114
Energy: 1.491423970908071
Energy: 1.137169600584524
Energy: 1.4958728359033113
Energy: 1.1371696005852754
Energy: 1.467796952676908
Energy: 1.1276699942008421
Energy: 1.7778058092797009
Energy: 1.1276699942008421
Energy: 1.5046354209076078
Energy: 1.126424653089991
Energy: 1.4960607428770447
Energy: 1.1264246530907427
Energy: 1.6515947294884052
Energy: 1.1310923084840692
Energy: 1.522980876907301
Energy: 1.1310923084810973
Energy: 1.5046705281818635
Energy: 1.1445547630919812
Energy: 1.505089492143731
Energy: 1.1445547630912298
Energy: 1.5136549727519533
Energy: 1.1305405328755969
Energy: 1.6510835067389902
Energy: 1.1305405328770999
Energy: 1.5025233586829754
Energy: 1.1307398634763517
Energy: 1.504262186814418
Energy: 1.1307398634763517
Energy: 1.54249526978816
Energy: 1.1310566605253465
Energy: 1.4906654930622878
Energy: 1.1310566605268495
Energy: 1.5036366967939239
Energy: 1.1302802517354136
Energy: 1.50476786951316
Energy: 1.130280251739171
Energy: 1.508776176832016
Energy: 1.13087010519407
Energy: 1.5563783522614616
Energy: 1.1308701051955727
Energy: 1.4960498815653576
Energy: 1.1120627318223324
Energy: 1.5013721834870994
Energy: 1.1120627318215808
Energy: 1.469433726117035
Energy: 1.1276531276587365
Energy: 1.5097191857016992
Energy: 1.1276531276579853
Energy: 1.4932686851211832
Energy: 1.125403981563688
Energy: 1.4946427653996803
Energy: 1.125403981563688
Energy: 1.5431608266837415
Energy: 1.1276132883904162
Energy: 1.497628361675472
Energy: 1.1276132883896648
Energy: 1.5026371086820076
Energy: 1.3271310389912652
Energy: 1.4825346765979674
Energy: 1.327131038992017
Energy: 1.4418246343891261
Energy: 1.1656227979643514
Energy: 1.5278389915426256
Energy: 1.1656227979658544
Energy: 1.4928654360587106
Energy: 1.1852261633725045
Energy: 1.5002377530446387
Energy: 1.185226163374759
Energy: 1.5945250214306876
Energy: 1.1771640440081181
Energy: 1.4387362785947273
Energy: 1.1771640440051123
Energy: 1.5258468218085424
Energy: 1.2097920546452237
Energy: 1.486984568695666
Energy: 1.2097920546452237
Energy: 1.5109489958400844
Energy: 1.2306285685217713
Energy: 1.5428984998634188
Energy: 1.2306285685202685
Energy: 1.5154451156338393
Energy: 1.2696229501548866
Energy: 1.5212731645081883
Energy: 1.2696229501548866
Energy: 1.5959320157292112
Energy: 1.2600027071496465
Energy: 1.7357743682022306
Energy: 1.2600027071503979
Energy: 1.565733571494544
Energy: 1.2533762309813434
Energy: 1.487006812377216
Energy: 1.2533762309798406
Energy: 1.5097065610340121
Energy: 1.2306972521897062
Energy: 1.5427447207349645
Energy: 1.2306972521904578
Energy: 1.4924860106711626
Energy: 1.2176486457732543
Energy: 1.521296078110577
Energy: 1.2176486457740054
Energy: 1.5946622919374422
Energy: 1.1771010443902257
Energy: 1.4386347139446634
Energy: 1.1771010443879715
Energy: 1.525940350692258
Energy: 1.1699716468075145
Energy: 1.4825812463142514
Energy: 1.1699716468060115
Energy: 1.4422021363441833
Energy: 1.1631931372772886
Energy: 1.543910319258862
Energy: 1.1631931372765374
Energy: 1.4925665382050197
Energy: 1.1535403576611274
Energy: 1.5002329738589364
Energy: 1.1535403576596244
Energy: 1.543769533768537
Energy: 1.12776099333792
Energy: 1.4918124963000148
Energy: 1.1277609933409258
Energy: 1.5027654865136733
Energy: 1.1250627482583326
Energy: 1.5009199785073775
Energy: 1.1250627482583326
Energy: 1.465674601334004
Energy: 1.1276371903703675
Energy: 1.5098036860727275
Energy: 1.1276371903673617
Energy: 1.5043983085175383
Energy: 1.1248585043282133
Energy: 1.4945790785038284
Energy: 1.1248585043282133
Energy: 1.5085059696885674
Energy: 1.1124317728313398
Energy: 1.5231239126194733
Energy: 1.1124317728305884

minimum gb energy = 1.1120627318215808 eV
minimum distance =  2.48122537751351 Angstroms
sigma value = 113


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

Energy: 0.01942268746615702
Energy: 0.020026061528432483
Energy: 1.8106113381628002
Energy: 0.02002606152788687
Energy: 0.0199125244271102
Energy: 1.4885569153785267
Energy: 0.019912524426564587
Energy: 1.4885569153790723
Energy: 1.9611540501340814
Energy: 0.02002606152788687
Energy: 0.01942268746615702
Energy: 0.02002606152788687
Energy: 0.0199125244271102
Energy: 1.4885569153790723
Energy: 0.019912524426564587
Energy: 1.4885569153785267
Energy: 0.01942268746615702
Energy: 0.02002606152788687
Energy: 1.8106113381628002
Energy: 0.02002606152788687
Energy: 0.0199125244271102
Energy: 1.4885569153785267
Energy: 0.0199125244271102
Energy: 1.4885569153785267

minimum gb energy = 0.01942268746615702 eV
minimum distance =  2.72194710870332 Angstroms
sigma value = 1