Model name: model_name=Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000136196613
cohesive_energy=3.540278378030674
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.450064382191406e-19, 2.2218985560312e-19, 2.8001080814754597e-19, 3.2501434761997194e-19, 3.61112989360626e-19, 3.9086540945400596e-19, 4.1578886917250993e-19, 4.367950070208839e-19, 4.54813085446848e-19, 4.70746732071978e-19, 4.85161515248076e-19, 4.98281739703902e-19, 5.10166685974914e-19, 5.208371823573539e-19, 5.303140571474639e-19, 5.38624547348022e-19, 5.457974921384399e-19, 5.5185371981495995e-19, 5.5682367173362795e-19, 5.60747402310294e-19, 5.63672976843978e-19, 5.65669288929942e-19, 5.6680843651671595e-19, 5.67170528436e-19, 5.667908125737419e-19, 5.6557636268517e-19, 5.63387789403126e-19, 5.6004885329787e-19, 5.553384539939099e-19, 5.48984221463466e-19, 5.40624063787254e-19, 5.29801360624584e-19, 5.1592490879751e-19, 4.9826892229082995e-19, 4.75963419192282e-19, 4.47983006456106e-19, 4.13066771071344e-19, 3.69530825395662e-19, 3.14976711007962e-19, 2.4603985697684397e-19, 1.5817056231473818e-19, 4.535649898489619e-20, -1.002983401180242e-19, -2.89780881261678e-19, -5.394961314369179e-19, -8.7268157989029e-19, -1.321846992702288e-18, -1.9412773185861e-18, -2.8278257372436595e-18, -4.15178439874956e-18, -6.214458640893839e-18, -9.63174118355244e-18, -1.5870328604554318e-17, -2.8789511936346e-17]
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: 0.016721840330085093
Energy: 0.33001355573403907
Energy: 0.32978379808289365
Energy: 0.9592285289114784
Energy: 0.7942043088600197
Energy: 0.28630709777486013
Energy: 0.017318336777153085
Energy: 0.08233163467394931
Energy: 0.6370742488699135
Energy: 0.23399938910908355
Energy: 0.33010813266921246
Energy: 0.08415223181101973
Energy: 0.01793480137868822
Energy: 0.08344141625656679
Energy: 0.017233954829663313
Energy: 0.6386130789372868
Energy: 0.20399076698350788
Energy: 0.3293540480834376
Energy: 0.6438786055868437
Energy: 0.08211351952115205
Energy: 0.08356284554827759
Energy: 0.019162664243107017
Energy: 0.3298065599497163
Energy: 0.330570016307224
Energy: 0.9580639899059443
Energy: 0.7949938908555209
Energy: 0.08250775248735366
Energy: 0.01751864274158079
Energy: 0.08263967562735057
Energy: 0.8012595277511618
Energy: 0.2349772317381212
Energy: 0.3298958198887036
Energy: 0.5806152580209201
Energy: 0.017500005939942047
Energy: 0.08355911837026454
Energy: 0.01712304910072161
Energy: 0.6385300920592593
Energy: 0.33338207512828544
Energy: 0.3293942518245396
Energy: 0.6469822429717599
Energy: 0.08203194886991422
Energy: 0.08341040517009644

minimum gb energy = 0.016721840330085093 eV
minimum distance =  2.5309784240778 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.0533815917709608
Energy: 1.1331182595974243
Energy: 1.0733500569104382
Energy: 0.9867450901323261
Energy: 0.9886019293887879
Energy: 1.1352490057207048
Energy: 0.9351722297035833
Energy: 0.9282347104641643
Energy: 0.993885597642485
Energy: 0.9305977361512918
Energy: 0.9750191958687887
Energy: 0.9692133373965371
Energy: 0.943371735980482
Energy: 0.9914151971691701
Energy: 0.925398175908721
Energy: 0.9902776913964272
Energy: 0.9994248310500957
Energy: 0.9684963899973552
Energy: 0.9816648818920527
Energy: 1.0451052641998084
Energy: 0.9530741501149544
Energy: 0.9401460338894138
Energy: 0.9825870050080435
Energy: 0.9477021839822821
Energy: 1.022769695991856
Energy: 1.001338367276453
Energy: 0.9316734330735962
Energy: 0.9900027230818477
Energy: 1.0352846525600885
Energy: 0.9572478105215938
Energy: 0.9848367959594501
Energy: 0.9599114448829963
Energy: 1.0015144106802683
Energy: 0.9876385806991386
Energy: 0.9751030682213511
Energy: 0.9695362738486984
Energy: 0.9934746407369159
Energy: 0.9348087566948448
Energy: 0.9350649439066071
Energy: 0.9878657798179213
Energy: 0.9670038013639031
Energy: 0.9304904255289146
Energy: 0.9285093280153301
Energy: 1.0163746256068371
Energy: 1.0388839095371882
Energy: 0.9712268990063893
Energy: 0.9729097226874914
Energy: 1.044002939736699
Energy: 1.0095492284641325
Energy: 0.9692083499133377
Energy: 0.9463781908452931
Energy: 1.0000040101085492
Energy: 1.0126083430859345
Energy: 0.982695356397225
Energy: 0.9540553870970935
Energy: 1.0130964763925456
Energy: 0.9469899479809113
Energy: 0.9808502600185789
Energy: 0.9899185364099763
Energy: 0.9672535718909158
Energy: 1.0193913447455936
Energy: 0.9780054917222516
Energy: 0.9776228634533776
Energy: 0.9429543055728125
Energy: 0.9740793187526645
Energy: 0.9808105864271797
Energy: 1.0055633783611297
Energy: 0.9836197317082621
Energy: 1.0078632044801725
Energy: 1.0175688936884029
Energy: 0.959492166930759
Energy: 1.046287565685535
Energy: 0.9245434228154217
Energy: 0.9695913738258287
Energy: 1.0897203675191096
Energy: 0.9419438067041462
Energy: 1.0065169766826019
Energy: 1.0213421573894408
Energy: 0.9984233048221062
Energy: 0.938083836268617
Energy: 1.0114655380075714
Energy: 0.980936611472656
Energy: 0.9355916398373587
Energy: 0.9833936925850564
Energy: 0.9456995363138138
Energy: 0.9778807426474454
Energy: 0.967013039033074
Energy: 1.0182740492700997
Energy: 0.9986962246601966
Energy: 0.9540233628389844
Energy: 0.9803859643932837
Energy: 1.0263716318336698
Energy: 1.003587313233527
Energy: 0.9728949997508758
Energy: 1.0404509887602051
Energy: 1.0326543354099442
Energy: 1.1057134797054613
Energy: 1.0389589185559172
Energy: 0.9296577565481774
Energy: 0.9381887239062091
Energy: 0.9483933577993091
Energy: 0.9834342097361772
Energy: 0.978613423749624
Energy: 0.9668712830442643
Energy: 0.9734050169681691
Energy: 0.9397866095531727
Energy: 0.9952200934919454
Energy: 1.0064324047024755
Energy: 1.0273638036552093
Energy: 1.0104960380640873
Energy: 0.9713290199856952
Energy: 0.961869639919418
Energy: 0.9877113709382038
Energy: 0.9893644176676873
Energy: 0.9548858467682352
Energy: 1.0241574360936037
Energy: 1.0016741091919916
Energy: 0.9764013071931534
Energy: 1.0131967431642062
Energy: 0.9341225841435946
Energy: 0.95899706187365
Energy: 0.990891223209648
Energy: 0.9637887387658751
Energy: 0.9984247804538691
Energy: 1.0969088775350067
Energy: 1.0106265250140125
Energy: 0.963385933926349
Energy: 1.0160262354116012
Energy: 0.930433956092254
Energy: 0.9971033335068736
Energy: 0.9834000819733769
Energy: 0.9447421492198651
Energy: 0.973310951227889
Energy: 1.073981296558968
Energy: 0.9735306971765946
Energy: 0.9886510627065898
Energy: 1.0175471464750365
Energy: 1.0079460390089523
Energy: 0.9999765991613614
Energy: 0.9751650921209716
Energy: 0.959719780485641
Energy: 1.0351649916192192
Energy: 0.944616740558972
Energy: 0.9376068742572483
Energy: 1.0367527874881293
Energy: 0.9842377521691156
Energy: 1.0099994605431388
Energy: 1.1005726470461534
Energy: 0.9641957462121253
Energy: 0.9922120147262904
Energy: 1.0279879281075368
Energy: 1.0160633932143492
Energy: 1.017304580345103
Energy: 0.9605219349098766
Energy: 0.9526241880155081
Energy: 1.0568624983186983
Energy: 0.928283191204652
Energy: 0.9348433549353397
Energy: 1.0147838272755918
Energy: 0.9265087219117909
Energy: 0.9740501431416222
Energy: 1.021826228949496
Energy: 0.9826456933936004
Energy: 1.070460773166052
Energy: 0.9905960373157612
Energy: 0.989069917745698
Energy: 1.0290435081200686
Energy: 0.9972917692454453
Energy: 0.9300386940522409
Energy: 0.9856547483086087
Energy: 0.9414728911794042
Energy: 0.9312957272312894
Energy: 0.9411060617049732
Energy: 0.9504750533044226
Energy: 0.992083270543381
Energy: 0.9557094522387857
Energy: 0.998432682704602
Energy: 1.042124732669006
Energy: 0.9770742372281689
Energy: 0.9766674588102724
Energy: 1.0653363144156196
Energy: 0.9564208313915404
Energy: 0.9386010018078033
Energy: 1.0131900509989227
Energy: 0.9381868474460751
Energy: 0.9674179842322703
Energy: 0.9644545446917024
Energy: 0.9418865020946442
Energy: 1.0106633237214127
Energy: 0.9677497626636037
Energy: 0.9566805300998683
Energy: 1.0069432356174899
Energy: 0.9601566279051809
Energy: 0.9471685934481398
Energy: 0.9877495748969461
Energy: 0.9672596577918082
Energy: 0.9664186093119534
Energy: 0.9927107662691055
Energy: 1.0072754358263203
Energy: 0.9358441022679408
Energy: 0.9688963388823965
Energy: 0.9690467174283466
Energy: 0.9723005313562084
Energy: 0.9285619239805111
Energy: 1.017077920127278
Energy: 1.0204183829435383
Energy: 0.9679697144674339
Energy: 0.9751323565902895
Energy: 0.9260562633822115
Energy: 1.030995273140357
Energy: 1.0214532035519701
Energy: 1.0053172171502929
Energy: 0.994234167910277
Energy: 1.0062428823661804
Energy: 0.9756332310137216
Energy: 1.0095777861491466
Energy: 0.9957872691825562
Energy: 0.9474160592851634
Energy: 0.9825049412456528
Energy: 0.9462677083234222
Energy: 0.9643250485110278
Energy: 0.9627688934160455
Energy: 0.9675747035368063
Energy: 0.9946097560083927
Energy: 0.9463432967081958
Energy: 0.9445692409655075
Energy: 1.0475780892667017
Energy: 1.062414668200278
Energy: 1.0400700957492175
Energy: 1.0481814093270025
Energy: 0.9905697389409548
Energy: 0.9518338014339126
Energy: 1.033481944214365
Energy: 0.9245439854129337
Energy: 0.983418737704665
Energy: 1.069550453360341
Energy: 0.9424235059352434
Energy: 0.9607961772703102
Energy: 1.005767920096957
Energy: 0.9655824030571986
Energy: 1.0090818810821836
Energy: 1.044135658027811
Energy: 0.9563162970641919
Energy: 1.0083207626241921
Energy: 0.9754810174097595
Energy: 0.9932156313918089
Energy: 0.941555750127049
Energy: 0.9746133307554258
Energy: 0.9372106286316626
Energy: 1.0636692315130232
Energy: 0.9758885204040835
Energy: 0.9991711425158162
Energy: 1.0284869146671891
Energy: 0.9704895851743747
Energy: 1.0063172908432243
Energy: 1.0449567276301597
Energy: 1.0238356737840335
Energy: 0.9641927186345302
Energy: 1.0200042153701074
Energy: 0.9453233692341106
Energy: 0.9853088547307568
Energy: 0.9432220909214984
Energy: 0.9892893244568185
Energy: 0.9776656272724324
Energy: 0.9690884603396391
Energy: 0.9411835376035494
Energy: 0.9651595773439788
Energy: 1.0105072098661934
Energy: 1.0516376737552176
Energy: 0.9961571298006999
Energy: 0.9858133493930631
Energy: 1.0319995202976535
Energy: 0.946169927505552
Energy: 0.9833819655542542
Energy: 0.9329388910868298
Energy: 0.9881596165002817
Energy: 0.9790458600052122
Energy: 1.002225543199095
Energy: 1.021096518072391
Energy: 1.0090510118500666
Energy: 0.9308992960700468
Energy: 0.9631551357473913
Energy: 0.9411579866628481
Energy: 0.9825200188547695
Energy: 1.0263963009958559
Energy: 1.0981967294746786
Energy: 0.979462413128065
Energy: 0.9257956844404839
Energy: 0.9757614453555905
Energy: 0.9329067227268301
Energy: 0.9304660672006153
Energy: 0.9646884531251441
Energy: 0.942285908009473
Energy: 0.987318848821468
Energy: 1.0606814417650359
Energy: 0.9844757388664389
Energy: 0.9915690666385083
Energy: 1.0178896658835186
Energy: 1.0090114335668738
Energy: 0.9666075178767305
Energy: 1.0034220316666154
Energy: 0.9539946008794429
Energy: 0.9892731568677756
Energy: 0.9266559510003232
Energy: 0.9485006434061978
Energy: 0.9774345320893811
Energy: 0.9637269996424519
Energy: 0.9880786792353322
Energy: 1.0093803984764376
Energy: 1.0080603214108579
Energy: 0.9907698051881859
Energy: 1.0148297956434995
Energy: 0.9847954862445939
Energy: 0.9823920730226459
Energy: 1.0025893619901505
Energy: 0.9550182782100929
Energy: 0.9995108607139412
Energy: 0.9291426576066494
Energy: 0.9842868034478064
Energy: 0.9416914064946207
Energy: 0.9301272572581336
Energy: 0.937841507839605
Energy: 0.941027963920339
Energy: 1.0256671056121789
Energy: 1.0341655093304192
Energy: 0.9840982835568033
Energy: 0.9877055081656627
Energy: 0.999790359948797
Energy: 0.9737318532251765

minimum gb energy = 0.9245434228154217 eV
minimum distance =  2.28704184879013 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.0027223382739614
Energy: 0.9694440301442201
Energy: 1.02710175814554
Energy: 0.9804019735527079
Energy: 1.1678245378452639
Energy: 0.9879959224000299
Energy: 0.9957813775025005
Energy: 0.9435637229267222
Energy: 0.9574253554420559
Energy: 0.9467427630666254
Energy: 0.9376514715460799
Energy: 0.9422387719913192
Energy: 1.0131052502355042
Energy: 0.9681034171312148
Energy: 0.9373755366849817
Energy: 0.99849386174922
Energy: 0.9586692717667369
Energy: 0.9480561121294522
Energy: 0.9987383533009814
Energy: 1.0060210394029734
Energy: 0.987437313506282
Energy: 1.0214383404005718
Energy: 0.9944789038616014
Energy: 0.9470075449140766
Energy: 0.938777330810648
Energy: 0.9542918840803624
Energy: 0.9481245316621061
Energy: 0.9556365806608781
Energy: 1.0710681801676178
Energy: 0.9794200837169068
Energy: 0.9425102473397057
Energy: 0.9624869325985828
Energy: 0.9328685561408083
Energy: 0.9254053678013695
Energy: 0.9863726711046548
Energy: 0.9486030597883167
Energy: 0.9913702974154106
Energy: 0.9541414758185663
Energy: 0.9628543273028027
Energy: 0.9307747781190092
Energy: 0.9585102051875755
Energy: 0.9739956427140748
Energy: 0.9970413757036697
Energy: 1.0201004518480785
Energy: 0.9452623487884393
Energy: 0.9480079911362252
Energy: 0.9807012056821878
Energy: 0.9505911804606
Energy: 0.9981756939870098
Energy: 0.9719200067968152
Energy: 0.9826806828707065
Energy: 0.9825841077630039
Energy: 0.9498746248340856
Energy: 0.9812204215470259
Energy: 1.0118966638023155
Energy: 0.9968023335042812
Energy: 0.9420962406681878
Energy: 0.977859524157622
Energy: 0.9733686016348061
Energy: 0.9860589023270132
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Energy: 0.9632758170442256
Energy: 0.957702226083963
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Energy: 0.9395732598908542
Energy: 0.9750136368996705
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Energy: 0.9484401820203706
Energy: 0.9449869995095017
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Energy: 0.9898480693586519
Energy: 0.9916663699288817
Energy: 0.9863950138161973
Energy: 0.9521730877925282
Energy: 0.9426968546144796
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Energy: 0.960628961817673
Energy: 0.942299722074551
Energy: 0.9609977168625896
Energy: 0.9441803876727293
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Energy: 0.9731805551730883
Energy: 0.9750329842665154
Energy: 1.0136330302432566
Energy: 0.9925432669993728
Energy: 0.9617534607004486
Energy: 0.9767136672181268
Energy: 1.0284268359019548
Energy: 0.9468336028345513
Energy: 1.0243844832094349
Energy: 0.9952695431338965
Energy: 1.076476205160276
Energy: 0.9418229402242669
Energy: 0.9896553380224301
Energy: 0.9847000338081946
Energy: 1.0005399143845106
Energy: 1.0813349990571208
Energy: 1.0223711300638634
Energy: 0.9681875541032716
Energy: 0.9556300511392901
Energy: 0.9389552230442828
Energy: 0.9461260779424159
Energy: 0.9936566215957943
Energy: 1.0674380797026415
Energy: 0.9951525505104007
Energy: 0.9577943556692371
Energy: 0.9547746561889452
Energy: 0.9544510688380231
Energy: 0.951036421361089
Energy: 0.9591173498128952
Energy: 1.0478159269791856
Energy: 0.9594043316651325
Energy: 0.9534526481500821
Energy: 0.9474525564103503
Energy: 0.9270656648668932
Energy: 0.95760469634815
Energy: 1.0071058227096734
Energy: 0.9560638520764783
Energy: 1.0162305511532301
Energy: 0.9869162933891714
Energy: 0.9507467625040715
Energy: 0.9609550907453915
Energy: 1.0304788627974961
Energy: 0.998850595666832
Energy: 0.9914189184765978
Energy: 0.9779692499907474
Energy: 0.9425669704338163
Energy: 1.0054467840654902
Energy: 0.9802733057682466
Energy: 1.020358006787314
Energy: 0.9798562879629341
Energy: 0.9445928563289145
Energy: 0.9401827150317881
Energy: 0.9881374513611805
Energy: 0.931438723694282
Energy: 0.9641820031663648
Energy: 0.9360024628449191
Energy: 0.938676743537642
Energy: 0.9368192595250864
Energy: 0.9910915077406242
Energy: 1.011798938889809
Energy: 0.989863113687869
Energy: 0.95780026101999
Energy: 0.9433032613929601
Energy: 0.939571330934482
Energy: 0.9386857174682653
Energy: 0.9435804558586574
Energy: 0.9924148150963652
Energy: 0.9504572812055359
Energy: 0.9769041047116138
Energy: 0.9472569114987901
Energy: 0.9422201028383167
Energy: 0.9853004131318489
Energy: 1.0002901747551087
Energy: 0.9900191072843431
Energy: 0.9393489715743415
Energy: 0.9646368447955466
Energy: 1.0021975365217652
Energy: 0.9454416222833005
Energy: 0.9483289259022981
Energy: 1.0021141932508049
Energy: 0.9826240136274436
Energy: 0.9785796044250096
Energy: 0.9972572590639869
Energy: 0.9866948682247122
Energy: 1.0173887656225125
Energy: 0.9868910202076443
Energy: 1.0158641320575579
Energy: 0.9728036019216172
Energy: 0.9490623741842388
Energy: 0.9291054631037202
Energy: 0.9472068278642489
Energy: 0.9615609163139748
Energy: 1.0664649609537016
Energy: 1.003994229432707
Energy: 0.9636829164924364
Energy: 0.9550457466880816
Energy: 0.9269072690258441
Energy: 0.9254728728584419
Energy: 1.0255289564090087
Energy: 1.0484856682521235
Energy: 0.9793787291714227
Energy: 0.9610461101141585
Energy: 0.9466095420829759
Energy: 0.9257679609208651
Energy: 0.9482422280769413
Energy: 0.9744255127330663
Energy: 1.0115170882435756
Energy: 1.0030217244746358
Energy: 0.9666143915318908
Energy: 0.9432797635670988
Energy: 0.963876495437543
Energy: 0.9906520532410358
Energy: 0.9620241141192087
Energy: 0.9422053065925079
Energy: 0.9804821232302476
Energy: 0.9791854474493779
Energy: 0.9430770326969293
Energy: 0.9555520337403268
Energy: 1.0277958634843771
Energy: 0.9710783064813552
Energy: 0.9790803691515613
Energy: 0.9995284649355196
Energy: 0.9897607824333631
Energy: 0.9400688031459855
Energy: 0.9452874872856227
Energy: 0.9340709143121494
Energy: 0.9373979097534563
Energy: 0.9385561052010796
Energy: 0.9422256146406813
Energy: 1.0048482234612555
Energy: 0.9428970596692365
Energy: 0.9467701591025733
Energy: 0.9448609556685069
Energy: 0.9407234099114055
Energy: 0.9368474497674653
Energy: 0.9985253991383801
Energy: 1.00107054476368
Energy: 0.989423722964641
Energy: 0.9758119917787175
Energy: 0.95475705865721
Energy: 0.9380765895767902
Energy: 0.9593050087940885
Energy: 0.9385947445572498
Energy: 0.9902133536627823
Energy: 0.9305192517040717
Energy: 0.9383869733033394
Energy: 0.9999915441416998
Energy: 0.9399046564543283
Energy: 0.934892063889376
Energy: 0.998271892395266
Energy: 0.9422230208231004
Energy: 0.9778533575140002
Energy: 0.9800161482646554
Energy: 0.9747666537814187
Energy: 1.0061954334998158
Energy: 0.9650417660874435
Energy: 0.9698591969620006
Energy: 0.9841918481543626
Energy: 0.9511066640597898
Energy: 0.9487531165499673
Energy: 0.9852287143656356
Energy: 0.9719996950897604
Energy: 1.0920396176962925
Energy: 1.0057031248265658
Energy: 1.0008683783961867
Energy: 0.9808565036629453
Energy: 0.9271921175360613
Energy: 0.9293186475419468
Energy: 1.0175676518591836
Energy: 0.9573279693808681
Energy: 0.9744919068020259
Energy: 0.9509089884248276
Energy: 0.9522549040438035
Energy: 0.9291675904897763
Energy: 0.9500479394924115
Energy: 1.026141260916751
Energy: 0.9547885662169304
Energy: 1.0023752734360518
Energy: 0.940347997598947
Energy: 0.9635589508132151
Energy: 0.9331038160126676
Energy: 0.9497606462529137
Energy: 0.9897402226349663
Energy: 0.9658068588465152
Energy: 0.9787259177905872
Energy: 0.9690551961977859
Energy: 0.9396883501219027
Energy: 0.9961131795927773
Energy: 1.007031341613477
Energy: 0.9407881954247025
Energy: 0.9504001326354969
Energy: 0.9955084200669605
Energy: 0.9940899724806935
Energy: 0.9625813569279239
Energy: 0.9945496731166875
Energy: 0.9513949170205124
Energy: 0.9474050702948621
Energy: 0.945882140318553
Energy: 0.9539331495239486
Energy: 0.9617755896831801
Energy: 0.9402251869562085
Energy: 0.9604566941677661
Energy: 0.9619708022322497
Energy: 0.9798743379815907

minimum gb energy = 0.9254053678013695 eV
minimum distance =  2.29464336088197 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.9513038169068518
Energy: 0.9987427138700885
Energy: 1.0378261474139232
Energy: 0.929995646103286
Energy: 1.0139483559753322
Energy: 0.9903879980980598
Energy: 0.9466919754459445
Energy: 0.976593330091659
Energy: 0.9827688568788207
Energy: 1.0107859115395672
Energy: 0.959165724381344
Energy: 0.9881180950086252
Energy: 0.9860017084199367
Energy: 1.002424829199485
Energy: 0.9856311769579721
Energy: 0.9887014429535425
Energy: 1.0161110633252137
Energy: 0.9370626264741133
Energy: 0.9831721388275738
Energy: 1.0002478396840826
Energy: 0.9857663784116961
Energy: 0.954569417482141
Energy: 1.0155513920372126
Energy: 0.9399205328521177
Energy: 1.036973966693221
Energy: 0.9746458462578615
Energy: 0.9776938448438857
Energy: 0.9783269203071183
Energy: 0.9969970876949116
Energy: 1.0126378908835985
Energy: 0.9819594353526309
Energy: 0.9935947844820018
Energy: 0.9728340263341185
Energy: 0.9833374919205532
Energy: 1.009203005687135
Energy: 0.9659107685073937
Energy: 0.9959426503341686
Energy: 0.9603745674211414
Energy: 0.9526201414066321
Energy: 0.9733736748730781
Energy: 0.9590016536494772
Energy: 0.9593787029593827
Energy: 1.0083811474703708
Energy: 0.9549255901902999
Energy: 0.9603008408731476
Energy: 0.9563471614099932
Energy: 0.952936369444745
Energy: 1.0020353171776695
Energy: 1.0149565943230812
Energy: 0.9955158589217348
Energy: 0.9856168339909713
Energy: 0.9740123318887011
Energy: 1.0215317657697471
Energy: 1.032278616291597
Energy: 0.9618474401745619
Energy: 0.961942792449403
Energy: 0.9984219032035012
Energy: 0.958251347041584
Energy: 0.9729249846200607
Energy: 0.9990497060700951
Energy: 1.015057251650032
Energy: 0.9370080971650756
Energy: 0.9637646543495374
Energy: 0.9628428813977256
Energy: 1.0301638876245334
Energy: 0.9548088002855709
Energy: 0.9939636552120903
Energy: 0.993864093750975
Energy: 0.9732979543919448
Energy: 0.9951528132594595
Energy: 0.9723977837277397
Energy: 1.007699830079264
Energy: 1.0196002506459165
Energy: 1.0105552722208837
Energy: 0.9696901300578841
Energy: 0.9808711495401224
Energy: 0.9576935390059012
Energy: 0.9526762752025099
Energy: 0.9960574442265896
Energy: 0.9649674030717438
Energy: 0.9515720557378653
Energy: 0.9653576927909654
Energy: 0.9695550604053493
Energy: 0.9940288837583298
Energy: 1.0095647358105282
Energy: 1.011735244631864
Energy: 0.9544506576436967
Energy: 0.9402037416789688
Energy: 0.9617021825435426
Energy: 0.9952309582547119
Energy: 0.9968306980865281
Energy: 0.9893369501024902
Energy: 1.011098674001226
Energy: 1.0006595436116288
Energy: 1.026040441021265
Energy: 1.0936429516634476
Energy: 1.0373625128645438
Energy: 1.0472545747768158
Energy: 1.0177736316680661
Energy: 0.9416297614248188
Energy: 0.9638743408056002
Energy: 0.9579724130277605
Energy: 0.9957740086717979
Energy: 0.9703702964313714
Energy: 1.018097843304677
Energy: 0.956458169033203
Energy: 0.9765915661313002
Energy: 0.9433620651585504
Energy: 0.9840520966866643
Energy: 1.0193978621362396
Energy: 0.9744450982165579
Energy: 0.9602751802230982
Energy: 0.9891094809191605
Energy: 0.9795338696716069
Energy: 0.9957665744206371
Energy: 1.0310892252931774
Energy: 0.9964938161967919
Energy: 0.9817208420029654
Energy: 1.0196134367160978
Energy: 0.9335839574945891
Energy: 1.0181750921482948
Energy: 0.9719622261995223
Energy: 0.9568633760028645
Energy: 0.965592184698244
Energy: 0.9680133822189027
Energy: 1.0000055493113187
Energy: 1.036506513133309
Energy: 0.992392887169558
Energy: 1.027903567052491
Energy: 0.9380357146934936
Energy: 1.003866157002881
Energy: 0.9604062774852691
Energy: 0.9940409083487155
Energy: 1.040348137629312
Energy: 0.9788574086774009
Energy: 0.9951639614402356
Energy: 1.046812211880021
Energy: 1.0551531768696323
Energy: 1.0293361890786383
Energy: 1.0913158445327595
Energy: 0.9874023885724134
Energy: 0.9966154886563229
Energy: 0.9708913332160541
Energy: 0.9663668787651459
Energy: 0.9897526959160321
Energy: 0.9848674544440832
Energy: 0.9937048029852468
Energy: 0.9615138894429338
Energy: 1.015732338925917
Energy: 0.961361495740232
Energy: 0.9773426058297982
Energy: 0.9922759497522428
Energy: 0.9224364345045208
Energy: 0.9787180191400883
Energy: 0.9792064146882077
Energy: 0.9879852151722378
Energy: 0.9838475631780473
Energy: 0.978109174225379
Energy: 0.9859779654983428
Energy: 1.0059406100982686
Energy: 0.9739359814690173
Energy: 1.016026873074512
Energy: 0.9739921833477839
Energy: 0.9511583505466038
Energy: 0.9652137353614829
Energy: 0.9809744229056983
Energy: 0.9508689550133325
Energy: 0.9957436780019648
Energy: 1.0162111765098745
Energy: 1.0096176778499866
Energy: 1.0323693267939287
Energy: 1.0050462943128198
Energy: 0.980127577603859
Energy: 1.0056871317424265
Energy: 1.0150990511440494
Energy: 1.0300411698847396
Energy: 1.0003850524788223
Energy: 1.0086137354900788
Energy: 1.074387328778556
Energy: 1.081756253415409
Energy: 1.036747281610781
Energy: 1.0935352974827397
Energy: 1.0021471399407071
Energy: 0.9873039801464552
Energy: 0.9647000273440174
Energy: 0.9536677388488868
Energy: 0.9859697191403666
Energy: 0.966366670474479
Energy: 1.004650290058238
Energy: 0.993500655227646
Energy: 0.9679845710312689
Energy: 0.9783067010716953
Energy: 0.9737338573698857
Energy: 0.9718491702297604
Energy: 0.9475322152629563
Energy: 0.9951850257000512
Energy: 0.9806575467042814
Energy: 0.9941807627377013
Energy: 1.0222539571496987
Energy: 0.9872065138803771
Energy: 1.0035391321979816
Energy: 0.989060836279375
Energy: 0.9975397200745864
Energy: 0.9907923229751768
Energy: 1.0323950236237078
Energy: 0.9586548552309138
Energy: 0.9569970298904316
Energy: 0.9830071686315507
Energy: 0.9509019768453592
Energy: 0.9974273990339045
Energy: 0.9963539034043665
Energy: 0.9898492001266915
Energy: 0.9690478457025672
Energy: 0.9508068174610057
Energy: 0.9652515480528786
Energy: 0.941313564494528
Energy: 1.0023208159257875
Energy: 0.9736287515977625
Energy: 0.9810772033208458
Energy: 0.987532176660006
Energy: 1.02739068037584
Energy: 1.060136590635139
Energy: 1.0339365130622593
Energy: 1.0548434830473699
Energy: 0.9880413844948315
Energy: 0.9492012151474922
Energy: 0.9676148174474127
Energy: 0.9610909228789017
Energy: 0.9633129478495732
Energy: 0.978638649828164
Energy: 0.9807692608711278
Energy: 0.9649880627691455
Energy: 0.9996190723333784
Energy: 0.9679776250533814
Energy: 0.9636374036949301
Energy: 0.981197343389961
Energy: 0.9687638418232452
Energy: 1.0170413060529355
Energy: 0.9794604256229661
Energy: 1.032575191171994
Energy: 0.9994867008454844
Energy: 0.9963806680472945
Energy: 0.9825827504397974
Energy: 0.9752009888427081
Energy: 1.0277028644353032
Energy: 0.959190092224542
Energy: 0.9753520227925117
Energy: 1.0272645999665067
Energy: 1.0109303100719782
Energy: 0.9597634951500403
Energy: 0.9763385622943709
Energy: 0.9993108803878987

minimum gb energy = 0.9224364345045208 eV
minimum distance =  2.29060735971266 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.026531461893076
Energy: 0.9313653567252629
Energy: 1.2318825782716014
Energy: 1.1745125875471063
Energy: 0.9776632391025091
Energy: 1.007219715492706
Energy: 0.9471575055512373
Energy: 0.9833300623887213
Energy: 0.9690339438216874
Energy: 0.9916735806625525
Energy: 1.016549666416982
Energy: 0.9863759719308951
Energy: 1.0114022339962896
Energy: 1.053736616916248
Energy: 1.005696689571756
Energy: 0.9311610277811867
Energy: 0.9238593477639226
Energy: 1.0076727018259815
Energy: 0.9924972995426415
Energy: 1.0216663799829722
Energy: 1.0524700007792283
Energy: 0.9883870093972613
Energy: 0.9377477718219599
Energy: 1.043051954473261
Energy: 1.0011698120528083
Energy: 1.0183185283696687
Energy: 1.0323983158012493
Energy: 1.0345608861312432
Energy: 0.9335695947352233
Energy: 0.9415829722683539
Energy: 1.0313081688754546
Energy: 1.0209877473744595
Energy: 1.0023569990595325
Energy: 0.9897219937233108
Energy: 0.930620586032723
Energy: 0.9264375318965822
Energy: 0.9671657181887039
Energy: 0.9378707131964292
Energy: 1.0243249708094782
Energy: 1.0151645576838713
Energy: 1.0051507766944165
Energy: 0.9332142352462208
Energy: 1.0114846042417518
Energy: 0.9761525576130058
Energy: 0.926644874512462
Energy: 0.9998838033257524
Energy: 0.997046931336928
Energy: 0.9358025316059819
Energy: 0.9787339321619329
Energy: 0.9064942691922859
Energy: 0.9432840382281344
Energy: 1.0442569338981535
Energy: 1.007867600539507
Energy: 1.041504404133416
Energy: 1.0171155191929033
Energy: 0.9351281270293571
Energy: 0.9063556669114444
Energy: 0.9437764727457866
Energy: 1.0270543604427034
Energy: 1.0103621484669383
Energy: 1.0091430715042147
Energy: 1.036991723026387
Energy: 0.9321332921280955
Energy: 1.0106573501245695
Energy: 0.9578876500253283
Energy: 1.007422724816187
Energy: 1.0101831513879307
Energy: 1.0438648199611797
Energy: 1.0209907068502966
Energy: 1.0099795663191518
Energy: 0.9880978014401088
Energy: 0.9395861591566853
Energy: 0.952525193911385
Energy: 1.0110154211281521
Energy: 0.9875106861272323
Energy: 1.0177655792137867
Energy: 0.9860045055556586
Energy: 0.8982415026062092
Energy: 0.898463663155231
Energy: 1.0660940407234638
Energy: 0.971826964513308
Energy: 1.006241553649568
Energy: 0.9910566257118317
Energy: 0.9087854560562588
Energy: 0.9259440677336822
Energy: 0.9637998160517166
Energy: 1.0296176765318568
Energy: 1.043288918691755
Energy: 1.0406204451674166
Energy: 1.0328271900079293
Energy: 0.8876797449739101
Energy: 1.0109586223531948
Energy: 0.9537502484432052
Energy: 0.9247292180292817
Energy: 1.0077579900172273
Energy: 0.9712043456760674
Energy: 0.8880364856106575
Energy: 0.8997101595774011
Energy: 0.8865265504656292
Energy: 0.8994533804248356
Energy: 0.9238861366528526
Energy: 1.0285653781225668
Energy: 0.973104681799869
Energy: 0.8929155390737465
Energy: 0.9337307168331561
Energy: 0.8876638445236976
Energy: 0.8869873707808978
Energy: 1.0301904931999324
Energy: 1.032179365258292
Energy: 0.9953282127324479
Energy: 1.046482990217229
Energy: 0.8875971648113434
Energy: 0.8903449072130524
Energy: 0.8879520150599115
Energy: 0.9916324878019205
Energy: 1.0095236144758153
Energy: 1.0128088264106405
Energy: 1.0279841637725498
Energy: 0.973155329501255
Energy: 0.8873888233142851
Energy: 0.9513924434083518
Energy: 0.9238771983689427
Energy: 1.0084285724531739
Energy: 1.0166576641673781
Energy: 0.9448186684378197
Energy: 0.951048583677823
Energy: 0.9887068344960157
Energy: 0.9554446027495763
Energy: 1.0148764937450017
Energy: 1.0377165546934872
Energy: 1.0138859197347927
Energy: 1.0314941197667076
Energy: 1.0230965753496821
Energy: 0.8882015507516622
Energy: 0.8885367958837721
Energy: 1.0807413118151137
Energy: 0.9976544879338981
Energy: 1.002006681207814
Energy: 0.9900718458303033
Energy: 0.9084906097706242
Energy: 0.92627762951596
Energy: 0.951985153587725
Energy: 0.9379740178027332
Energy: 1.020941796878508
Energy: 1.0255693309259806
Energy: 0.9548635316631442
Energy: 0.9185436618599657
Energy: 1.0103967860452212
Energy: 0.9631000746041789
Energy: 0.9284710204452856
Energy: 0.9999989016226091
Energy: 0.9848896226087892
Energy: 0.9607768139800638
Energy: 0.9984235268385003
Energy: 0.9071352706457091
Energy: 0.9431135202547047
Energy: 1.0418675785500102
Energy: 1.018616532740758
Energy: 1.0402305185514467
Energy: 1.0377706703928535
Energy: 0.9330057415726821
Energy: 0.9063932869928711
Energy: 0.9436212456573986
Energy: 1.0219023886325842
Energy: 1.0209858938906036
Energy: 1.0072782075983868
Energy: 1.0180790478534372
Energy: 0.9347240946947593
Energy: 1.0105433701949618
Energy: 0.9336359310157185
Energy: 1.0071536422402532
Energy: 1.0095330158838207
Energy: 1.0402948082037458
Energy: 0.9962604551161552
Energy: 1.0002049335183154
Energy: 0.9882642731613813
Energy: 0.947420717243555
Energy: 0.9391102003631524
Energy: 1.0186116525307256
Energy: 0.9865051634871916
Energy: 0.9941824595120019
Energy: 1.0104782241751622
Energy: 0.9413182542195473
Energy: 0.9481366102402643
Energy: 0.9473927841116799
Energy: 1.0098978469025273
Energy: 1.0113648603499819
Energy: 0.9910902843466736
Energy: 0.9405519122929742
Energy: 0.9263583888130325
Energy: 0.9487105371206007
Energy: 1.060566816556578
Energy: 1.0107371328422958
Energy: 1.0367653101794525
Energy: 1.0323242015306062
Energy: 0.96880691844798
Energy: 1.0179490751022193
Energy: 0.9297102512525622
Energy: 0.9246832400513177
Energy: 1.0075169881729553
Energy: 0.9375056410598698
Energy: 0.968966262018189
Energy: 0.9087162822643798
Energy: 0.9294217545118263
Energy: 0.9543539613368609
Energy: 0.9238835889224781
Energy: 0.9964174279343213
Energy: 0.9380430582043834
Energy: 0.9342196560134071
Energy: 0.9787671465819079

minimum gb energy = 0.8865265504656292 eV
minimum distance =  2.27692317371748 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.1359923152706037
Energy: 1.076676611530946
Energy: 0.9633603981772506
Energy: 1.2477738941759087
Energy: 0.9208452480596392
Energy: 0.9200057173571291
Energy: 1.114347230681165
Energy: 0.9296749648359922
Energy: 0.9340718644708667
Energy: 1.123071700358022
Energy: 0.965187077750418
Energy: 0.8948384824371196
Energy: 1.037105430072732
Energy: 0.9397371543999443
Energy: 0.9189975079951929
Energy: 0.9373929233080293
Energy: 0.9649233820720474
Energy: 0.9336428884540301
Energy: 0.9993318816177753
Energy: 1.0233406967553722
Energy: 1.056121316979193
Energy: 1.1516756043294316
Energy: 0.8950572137304827
Energy: 0.9703541715762283
Energy: 0.9558107229626704
Energy: 0.9013119607519097
Energy: 0.9289972626491263
Energy: 0.931195188795368
Energy: 0.9128514141721367
Energy: 0.8794261334941603
Energy: 0.9468875531322566
Energy: 0.9117649971466376
Energy: 0.8945492751489761
Energy: 0.941720476596925
Energy: 0.9425344828929053
Energy: 0.8903868601538595
Energy: 0.8886557128976433
Energy: 0.9533102772275797
Energy: 0.9135569885347372
Energy: 0.9354487088307816
Energy: 0.9398810416938247
Energy: 0.937814764857908
Energy: 1.0280125122263886
Energy: 0.9116816561549483
Energy: 0.9294083325218976
Energy: 0.9292126643435671
Energy: 0.8892791376649183
Energy: 0.8901108164655216
Energy: 0.9547627872145181
Energy: 0.9195272766813997
Energy: 0.89461218343349
Energy: 0.9770947314427685
Energy: 0.9789139834939353
Energy: 0.9396174748312878
Energy: 0.9124919224571605
Energy: 0.9429806603339478
Energy: 0.9280177820205712
Energy: 0.9342930386780105
Energy: 0.9463981974478174
Energy: 0.9563392349723888
Energy: 0.8940939533628101
Energy: 1.058718657619457
Energy: 0.9382582093097893
Energy: 1.0223590048554894
Energy: 0.9964318782297683
Energy: 0.9470239250679909
Energy: 1.0765515096117655
Energy: 0.9199883869097358
Energy: 0.9820293531526684
Energy: 1.03754955032985
Energy: 0.9202337505961828
Energy: 0.9221209749743213
Energy: 0.9616535675213361
Energy: 0.9798260921512013
Energy: 0.8955383348868109
Energy: 0.9247398888327291
Energy: 0.9416266599941111
Energy: 0.919779441354384
Energy: 0.8896725410063587
Energy: 1.0780035929526033
Energy: 0.9324312310205409
Energy: 1.1125674138982937
Energy: 1.112962000040204
Energy: 1.055738568535163
Energy: 1.1152170909613877
Energy: 1.0241094599483838
Energy: 0.9335956359218062
Energy: 1.0772063231638527
Energy: 0.9438741128450194
Energy: 0.9275648357318091
Energy: 0.9253496661740669
Energy: 1.1116628974403644
Energy: 0.959930542376844
Energy: 0.9507316964395433
Energy: 0.9390375378750794
Energy: 0.9532727407934317
Energy: 0.9618697842727139
Energy: 0.9436574866337947
Energy: 0.9194243889817796
Energy: 0.8900574698821897
Energy: 1.0603013763565992
Energy: 0.932839128658831
Energy: 1.1684185570726986
Energy: 1.1526033023090438
Energy: 1.0844471645017957
Energy: 1.1513624437928816
Energy: 0.8899812335518816
Energy: 0.9700846248120808
Energy: 0.9563353822299504
Energy: 0.8534587229338783
Energy: 0.9803766540033401
Energy: 0.9656484382076872
Energy: 0.9124695038452466
Energy: 1.0167682939969713
Energy: 0.9512422980929243
Energy: 0.914193183160037
Energy: 0.90134438647361
Energy: 0.9329213081278241
Energy: 0.9445578036644499
Energy: 0.8903184884585883
Energy: 0.9279968365585949
Energy: 0.9844697836996528
Energy: 0.9272294644574276
Energy: 0.9468132401543822
Energy: 0.9380727262996993
Energy: 0.9202639665675864
Energy: 0.8894282762137525
Energy: 0.9141749763548354
Energy: 0.9454253514634443
Energy: 0.9831470720554624
Energy: 0.8898604732461963
Energy: 0.8901442077129978
Energy: 0.9402642709343263
Energy: 0.9196221413026066
Energy: 0.8960819592278523
Energy: 0.9390774552481452
Energy: 0.982772294783659
Energy: 0.8868645309447136
Energy: 0.913073338704633
Energy: 0.9439329700243504
Energy: 0.9198970490752078
Energy: 0.9354721562189451
Energy: 0.9673458640012437
Energy: 0.9686092604484365
Energy: 0.9081225575712172
Energy: 0.9312367484990894
Energy: 0.9545201078594691
Energy: 1.0224127764618327
Energy: 0.9082128121477551
Energy: 0.9462259589292272
Energy: 0.9635623018274602
Energy: 0.9115639810314549
Energy: 0.9332960549229311
Energy: 0.9335010543441432
Energy: 1.152314335370026
Energy: 0.9568617736101095
Energy: 0.9335163757089501
Energy: 1.0769596815597478
Energy: 0.9602417953282938
Energy: 0.9537193212141578
Energy: 0.955016349327532
Energy: 0.9204813452191636
Energy: 0.9835993677681046
Energy: 1.0216255424399567
Energy: 0.9327943541119245
Energy: 1.1135866415416233
Energy: 1.113582975360143
Energy: 1.0729884378762655
Energy: 1.1115973928211913
Energy: 0.9602308387828965
Energy: 0.9030777071681964
Energy: 1.0882923790017722
Energy: 0.9463217868050289
Energy: 0.9604279627768495
Energy: 0.9553395684942492

minimum gb energy = 0.8534587229338783 eV
minimum distance =  2.32256812579605 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.1170287565703045
Energy: 1.0104733453845154
Energy: 1.217702742024479
Energy: 1.1616240659219752
Energy: 1.1332195828213731
Energy: 1.111380890561825
Energy: 0.9269787990457691
Energy: 0.9760231372073511
Energy: 1.1494847327048292
Energy: 1.1472574400763322
Energy: 0.9648384615415909
Energy: 1.0583572029264021
Energy: 1.0671574209380377
Energy: 0.980373641829754
Energy: 1.129813170344793
Energy: 1.0613545983749142
Energy: 1.066192541549661
Energy: 1.0501750815990467
Energy: 1.1535380807769509
Energy: 1.0557360115282868
Energy: 0.9851105215241764
Energy: 1.0789710219138882
Energy: 1.0790408623196075
Energy: 1.0701836474127118
Energy: 1.0933608964096284
Energy: 1.137128329411554
Energy: 1.0672178331453204
Energy: 1.1075708439090985
Energy: 0.8892999236929945
Energy: 0.9688653321565156
Energy: 0.9762803686478055
Energy: 1.0536040652725773
Energy: 0.9949447580371676
Energy: 1.0110794786331068
Energy: 1.1143797161072284
Energy: 0.9883624766962872
Energy: 1.0396593830242558
Energy: 1.0135482116095211
Energy: 0.9864394675655475
Energy: 1.0147883427682325
Energy: 1.047582238271679
Energy: 1.0510339777450217
Energy: 1.019164824756668
Energy: 0.9235011115283013
Energy: 1.0723465794660407
Energy: 0.9729775643569708
Energy: 1.0965201917435758
Energy: 1.0156868286703362
Energy: 0.9930580082649372
Energy: 1.000438431369874
Energy: 0.9460305259429314
Energy: 0.9553222330681543
Energy: 0.9764256435428916
Energy: 1.04995165601156
Energy: 0.9836950659299835
Energy: 0.9739495390501957
Energy: 0.898660705582013
Energy: 0.9673663241599388
Energy: 1.0010086042571955
Energy: 0.9216561201783127
Energy: 1.0364328190330456
Energy: 1.0468568854690654
Energy: 1.0529411420824737
Energy: 1.0942031134843127
Energy: 0.9564188887670493
Energy: 0.9075849822321739
Energy: 0.9348625265601234
Energy: 0.9373111530621877
Energy: 1.0033194084430577
Energy: 0.9480734364822067
Energy: 0.9920007954638174
Energy: 0.9404604678290372
Energy: 0.9362974221910303
Energy: 0.981902557117932
Energy: 0.9836381431288115
Energy: 0.9645085869520709
Energy: 0.9499792236382488
Energy: 0.9212115521359873
Energy: 0.9272073973354482
Energy: 1.0462509491519991
Energy: 0.9701508727164799
Energy: 1.0131170960424156
Energy: 1.0914791548713993
Energy: 0.9867370060340779
Energy: 1.0017567252502995
Energy: 0.9566705097916192
Energy: 0.9804354926737388
Energy: 0.923285489949706
Energy: 0.980061420768226
Energy: 0.9796658634310775
Energy: 0.9294151369241079
Energy: 1.048824780663988
Energy: 0.9401910548087239
Energy: 1.03166881067876
Energy: 0.9357169266008508
Energy: 0.9355730219640641
Energy: 1.0414789760458374
Energy: 0.9368549152605479
Energy: 0.940295758847985
Energy: 1.1170808788975328
Energy: 1.0029252601514287
Energy: 0.9726862576178577
Energy: 0.9674707792879543
Energy: 1.0111012974016746
Energy: 1.1131800949648856
Energy: 0.8911253055709427
Energy: 1.0251461918457845
Energy: 1.0241933832196435
Energy: 1.0054829020555487
Energy: 1.0127363630426636
Energy: 1.0618062797772783
Energy: 1.0353642594387784
Energy: 1.020430386319469
Energy: 1.0621164043236873
Energy: 1.017252583976711
Energy: 1.1166241797067953
Energy: 1.0924064665427384
Energy: 1.1164185337876709
Energy: 0.9943626533610981
Energy: 1.0024076655972032
Energy: 1.0404862932552708
Energy: 1.0709494911504607
Energy: 1.1417554363746136
Energy: 1.1062422368793712
Energy: 0.9500684587125405
Energy: 1.1089254928060488
Energy: 1.032976266915397
Energy: 1.151807503260197
Energy: 0.9910203238390467
Energy: 1.041612505312986
Energy: 0.983432165315242
Energy: 1.0575102119394948
Energy: 1.048519088321502
Energy: 1.1294638790177371
Energy: 1.1319669088298479
Energy: 1.1413286962858813
Energy: 1.1624236014777547
Energy: 1.1362477196490737
Energy: 1.0668521434076836
Energy: 1.2229228193495483
Energy: 1.1693634519035843
Energy: 1.04815092700489
Energy: 1.022691748939748
Energy: 1.0447375644205859
Energy: 1.1370071493352227
Energy: 1.1064932503024
Energy: 1.1745069213238615
Energy: 1.0775812492783472
Energy: 1.1353854591505241
Energy: 1.0967452971034861
Energy: 1.0431933112192822
Energy: 1.1375739757993812
Energy: 1.106753157602526
Energy: 0.9775687583113791
Energy: 1.1097531093787711
Energy: 0.9870072334359338
Energy: 1.013818078190311
Energy: 1.1619569070035662
Energy: 1.132775534012994
Energy: 1.1102769816374154
Energy: 1.0011014711928368
Energy: 1.0462839856125996
Energy: 1.1501116319013225
Energy: 0.9565982787759226
Energy: 1.029989151580497
Energy: 0.9844240516634704
Energy: 0.8938176267415393
Energy: 1.0603895432575163
Energy: 1.0036404873197367
Energy: 1.0605299461703697
Energy: 1.06359908801129
Energy: 1.1537485568835406
Energy: 1.1395225443406714
Energy: 1.055035191374165
Energy: 1.0460559346778184
Energy: 1.0801647840066522
Energy: 1.0629644433172387
Energy: 1.0699446180734131
Energy: 1.152155886540856
Energy: 1.141777197227867
Energy: 1.0673624477536672
Energy: 1.0963241452460382
Energy: 0.9225057127372398
Energy: 0.924351687133982
Energy: 1.0932421737848268
Energy: 1.0544147007058668
Energy: 1.0125884050294836
Energy: 1.0651398268070824
Energy: 1.0692029100379643
Energy: 0.9871040631595527
Energy: 0.9790216886895192
Energy: 1.0134730651095194
Energy: 0.9280380491926404
Energy: 1.0156597672114092
Energy: 1.0488146936157623
Energy: 1.0742533852671277
Energy: 1.0211600329036576
Energy: 0.9212292757413215
Energy: 1.0227552692644837
Energy: 1.00048529338216
Energy: 1.036567152523069
Energy: 1.0187110988279402
Energy: 0.9931497058412414
Energy: 1.0530324300834062
Energy: 0.9448932670152771
Energy: 0.9799182155059144
Energy: 0.9945226641900825
Energy: 1.039017788694703
Energy: 0.9627543834067637
Energy: 0.9556175784184648
Energy: 0.9003086540589985
Energy: 0.9867296743445239
Energy: 1.001430081190016
Energy: 0.9732245557918221
Energy: 1.0378530020889736
Energy: 1.0460652731587874
Energy: 1.048546587718284
Energy: 0.9435643873092564
Energy: 1.0092935950099593
Energy: 1.022275607036923
Energy: 0.9321092632565008
Energy: 0.9413711600521408
Energy: 1.043164891279463
Energy: 0.9477664420955778
Energy: 0.9885210858841196
Energy: 0.94048050939199
Energy: 0.9457204925761771
Energy: 0.9889140539476038
Energy: 0.9838324731281753
Energy: 1.0164677020355515
Energy: 1.0007664339252706
Energy: 0.8946696913876836
Energy: 0.9267097098536526
Energy: 1.0459726855714602
Energy: 1.0561065297706527
Energy: 1.0784440462195068
Energy: 1.0922786523801156
Energy: 0.9519214464902553
Energy: 0.9359248597811008
Energy: 0.940532924695594
Energy: 0.9787968775356741
Energy: 0.9094265248806623
Energy: 1.0179538396638046
Energy: 0.9948228747488989
Energy: 0.9284015985203365
Energy: 1.047216312106497
Energy: 0.9286933140812005
Energy: 1.0138723989035276
Energy: 0.9728129867873792
Energy: 0.9891316733881119
Energy: 1.0238049239918263
Energy: 0.9381555847619
Energy: 0.941373443138161
Energy: 1.0218524651159335
Energy: 1.0304498091918841
Energy: 0.9233020205041529
Energy: 0.983504895729681
Energy: 1.0111954137896317
Energy: 0.9745680966372461
Energy: 0.8926871649372455
Energy: 0.999384097539757
Energy: 1.0043714138664568
Energy: 1.0237052741864558
Energy: 0.9765457214302805
Energy: 1.0615115782683393
Energy: 1.0383008174359114
Energy: 1.0475446271604263
Energy: 0.9746237944183338
Energy: 1.0163057947419023
Energy: 1.1155820447831108
Energy: 1.067514634065485
Energy: 1.0539027321316878
Energy: 0.9920983396944175
Energy: 1.004181803235478
Energy: 1.0986159720524422
Energy: 1.0722810112953962
Energy: 1.0857747412069696
Energy: 1.0284104826600342
Energy: 0.9491740658539153
Energy: 1.004162785964771
Energy: 1.0794984718272211
Energy: 1.1504386983744663
Energy: 1.0661545150339875
Energy: 1.0752254148840903
Energy: 0.987655600492577
Energy: 1.040187444521196
Energy: 1.0482934614859005
Energy: 1.1294701841830923
Energy: 1.2298529183032643
Energy: 1.1393665731712503
Energy: 1.1615394710094242
Energy: 1.1343069056184238
Energy: 1.0667636300061811
Energy: 1.0757780902876115
Energy: 1.0770911428138537
Energy: 0.9857792697797031
Energy: 0.9877370830696721
Energy: 1.103302752820082
Energy: 1.1369354765125157
Energy: 1.1067562263288129
Energy: 1.0605986626873
Energy: 1.1729379921653067
Energy: 1.1338634378535952
Energy: 1.0954749934195407
Energy: 1.084475553363571
Energy: 1.137288414647965
Energy: 1.106777567897344
Energy: 1.0709917873962507
Energy: 1.1082926763716565
Energy: 1.0214754192710267
Energy: 1.2103656573791806
Energy: 1.1626886376787395
Energy: 1.1331256474661666
Energy: 1.0661825862530452
Energy: 1.0263758596715835

minimum gb energy = 0.8892999236929945 eV
minimum distance =  2.2692923761775 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.9936415315429635
Energy: 1.1155665894021989
Energy: 0.96826545198412
Energy: 0.9016534414121181
Energy: 0.9024071425541151
Energy: 0.9644155922881731
Energy: 0.9665153387537334
Energy: 0.9567993007393797
Energy: 1.0976494161384556
Energy: 0.9028048337584766
Energy: 0.9027774602019851
Energy: 0.9024486292331694
Energy: 0.9030686610720076
Energy: 1.0974555099424477
Energy: 0.9542977046900075
Energy: 1.0974372895974491
Energy: 0.9495713757158047
Energy: 0.9020119252230724
Energy: 0.9022460556945676
Energy: 0.9017000216403209
Energy: 0.9024167103057212
Energy: 0.9552143810866903
Energy: 1.0975665678279207
Energy: 0.9017570053365966
Energy: 0.9018667130073152
Energy: 0.9017863968308787
Energy: 0.901847897723138
Energy: 0.9706674009374662
Energy: 0.9918219010884229
Energy: 1.097949911763712
Energy: 0.9600667982598923
Energy: 1.0976881343130256
Energy: 0.9029132813836835
Energy: 0.9594893866575291
Energy: 1.0980983888137168
Energy: 0.9583821174729404
Energy: 1.0978886790939928
Energy: 0.9020737442277981
Energy: 0.9021371292384228
Energy: 0.9022945102217823
Energy: 0.902102920943023
Energy: 0.9672109340919232
Energy: 0.9549182403748376
Energy: 1.0971372569125344
Energy: 0.9521539695028833
Energy: 0.902599646267249
Energy: 0.902683562382771
Energy: 0.9018897690212542
Energy: 1.0970823565328838
Energy: 0.9543090915791527
Energy: 1.097159538642926
Energy: 0.9509551230355262
Energy: 0.9024696838595931
Energy: 0.9025099607246946
Energy: 0.9491822617808876
Energy: 1.0972693501050836
Energy: 0.9573028262238634
Energy: 1.096991969682103
Energy: 0.9016585211121911
Energy: 0.9021990446838049
Energy: 0.9018469153452644
Energy: 0.9016594912390008
Energy: 0.9680510750375532
Energy: 0.9915094269999256
Energy: 1.097491588736842
Energy: 0.9600159943282683
Energy: 1.0969574099332067
Energy: 1.096883248005006
Energy: 0.9592844897647875
Energy: 1.0980575203918657
Energy: 0.9567261153951832
Energy: 1.0975687905707778
Energy: 0.9020403580981557
Energy: 0.9017853426119495
Energy: 0.9019073183496539
Energy: 0.9015680989574424
Energy: 0.9689656460746584
Energy: 0.9542635532682879
Energy: 1.0975443101365348
Energy: 0.9505263823419415
Energy: 0.9026484525275353
Energy: 0.9022653433331057
Energy: 0.9021259522403078
Energy: 1.0969725264593828
Energy: 0.9555548428478886
Energy: 1.097618095271832
Energy: 0.952609569690329
Energy: 0.9026094684053297
Energy: 0.9022080133429518
Energy: 0.9512056624640605
Energy: 1.097358124873099
Energy: 0.9574102819177186
Energy: 1.0965943837999765
Energy: 0.9023299248663444
Energy: 0.9020182236923647
Energy: 0.9022824991103048
Energy: 0.9024207748741618
Energy: 0.9667584764725111
Energy: 0.9921178321209143
Energy: 1.0981112374253554
Energy: 0.959695760725634
Energy: 0.902489654575019
Energy: 0.9024815860619327
Energy: 0.9023494256945348
Energy: 1.097719902565968
Energy: 0.9549096600321388
Energy: 1.0972721448223912
Energy: 0.9018692562033145
Energy: 0.9020787540735056
Energy: 0.9021283054584339
Energy: 0.9018273674208606
Energy: 0.9040996136745083
Energy: 0.9545931344859494
Energy: 1.0970997620079779
Energy: 0.9019585128199028
Energy: 0.9020465512943279
Energy: 0.9018952082314102
Energy: 0.901830404554632
Energy: 0.9019697321042622
Energy: 0.9924158282328776
Energy: 1.0977691767246316
Energy: 0.9502157156702246
Energy: 0.9022713661922469
Energy: 0.9027226969577279
Energy: 0.9024369876736055
Energy: 1.097767370091712
Energy: 0.9583283944778692
Energy: 1.0970489300777007
Energy: 0.9024825690531627
Energy: 0.9019558663526512
Energy: 0.9023226023960953
Energy: 0.902962311272837
Energy: 0.9666110494036252
Energy: 0.9560865095137326
Energy: 1.09758431901317
Energy: 0.9529861463524767
Energy: 0.9027799013006509
Energy: 0.9020525928031183
Energy: 0.9029505417506299
Energy: 1.0972921136060234

minimum gb energy = 0.9015680989574424 eV
minimum distance =  2.38824038883281 Angstroms
sigma value = 23