Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5224674642086033
cohesive_energy=4.44900897936396
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.6166253594608797e-19, 4.2564385764824396e-19, 4.66270250556582e-19, 4.9848521613642e-19, 5.25419407530594e-19, 5.48566053361992e-19, 5.688544160783339e-19, 5.86991055575214e-19, 6.03656896922082e-19, 6.18943264187076e-19, 6.32898222669216e-19, 6.455938703170321e-19, 6.57113520315492e-19, 6.67532474966394e-19, 6.76826701620228e-19, 6.849657589209479e-19, 6.91960862104992e-19, 6.97839248175138e-19, 7.02640971547236e-19, 7.064221084034759e-19, 7.09257961045656e-19, 7.11217423069038e-19, 7.123645815389819e-19, 7.12753910461044e-19, 7.122556335278699e-19, 7.1047561528749605e-19, 7.06917180983382e-19, 7.0100194485065395e-19, 6.920393687600579e-19, 6.792155469815219e-19, 6.615643670047439e-19, 6.379002181205639e-19, 6.06779539181748e-19, 5.66515238192694e-19, 5.151414444234839e-19, 4.50293345162334e-19, 3.6909823770448196e-19, 2.68159507585848e-19, 1.434393492534252e-19, -1.002244797751968e-20, -1.98762828860772e-19, -4.35570944072508e-19, -7.412037609509819e-19, -1.14329722425606e-18, -1.6786004594418e-18, -2.3959269820162798e-18, -3.36324112479378e-18, -4.6808391450627e-18, -6.512543603649539e-18, -9.1541964160224e-18, -1.3153934252205357e-17, -1.9585808262333e-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: 0.02044522780069079
Energy: 0.14851730897185006
Energy: 0.14969891462871088
Energy: 0.14975386175209407
Energy: 0.023777897717752492
Energy: 0.022509825973040725
Energy: 0.14844607494107706
Energy: 0.14930946763867664
Energy: 0.14929780465286763
Energy: 0.023340935326633973
Energy: 0.149799445701369
Energy: 0.14829432492272737
Energy: 0.15001407241176606
Energy: 0.15053805155947775
Energy: 0.15118852264174762
Energy: 0.15040644532893133
Energy: 0.1498090354315568
Energy: 0.14904538345945853
Energy: 0.15072252871927852
Energy: 0.1520911463146167
Energy: 0.14858070773086599
Energy: 0.023799251724771583
Energy: 0.020869772176261705
Energy: 0.14869527154792922
Energy: 0.14963381877158954
Energy: 0.15048523281047105
Energy: 0.02323505932498617
Energy: 0.021962757442929755
Energy: 0.14841533761772158
Energy: 0.1500948824919629
Energy: 0.14926470311011966
Energy: 0.02233937182442906
Energy: 0.021743889133088116
Energy: 0.1475709794906387
Energy: 0.14973463682095633
Energy: 0.15020011393417962
Energy: 0.022788437182115144
Energy: 0.021223093164391162
Energy: 0.14715006765965744
Energy: 0.14919191287196182
Energy: 0.14890858992562098
Energy: 0.15051722210756546
Energy: 0.14790209365256127
Energy: 0.02228228538967739
Energy: 0.02283058674196637
Energy: 0.1480397461018004
Energy: 0.15129919683278306
Energy: 0.1490834850249377
Energy: 0.02293793937424158
Energy: 0.14899339426313005
Energy: 0.1479195116680379
Energy: 0.14976776198017053
Energy: 0.14982322692021371
Energy: 0.021583105417552626
Energy: 0.024764427092826103
Energy: 0.1478779408324532
Energy: 0.14786876360125678
Energy: 0.1504199363846111
Energy: 0.022034468103437798
Energy: 0.021256406856555995
Energy: 0.025716122550734296
Energy: 0.15182454268100873
Energy: 0.14986478831925318
Energy: 0.15052710176220807
Energy: 0.14877338546654417
Energy: 0.025666123650309486
Energy: 0.15030345548586233
Energy: 0.14977081377352028
Energy: 0.15154764758620615
Energy: 0.15047513945873414

minimum gb energy = 0.02044522780069079 eV
minimum distance =  2.4634192410505 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.3103882393718074
Energy: 1.365639475624156
Energy: 1.3755609917566654
Energy: 1.3685375655943863
Energy: 1.573329900960869
Energy: 1.3315484562681998
Energy: 1.3656654690931187
Energy: 1.3802054754395119
Energy: 1.3200372729026337
Energy: 1.3178780401393655
Energy: 1.5016865747078036
Energy: 1.3385378277830091
Energy: 1.1584567504769272
Energy: 1.155133162780806
Energy: 1.150889050649334
Energy: 1.3825213305257331
Energy: 1.3538161858794642
Energy: 1.1712182099585082
Energy: 1.2317233272495929
Energy: 1.2447898354472688
Energy: 1.5300136077087252
Energy: 1.1742078634184518
Energy: 1.2726658995500983
Energy: 1.3092138694723716
Energy: 1.1450621446083737
Energy: 1.5418501789096106
Energy: 1.169982403612253
Energy: 1.146021925804395
Energy: 1.3029034712813596
Energy: 1.221843518603534
Energy: 1.349280730403134
Energy: 1.5334481768359853
Energy: 1.1449717513379865
Energy: 1.3201407624452495
Energy: 1.1487253955342702
Energy: 1.3591542028940267
Energy: 1.4235937494137278
Energy: 1.1568312961033382
Energy: 1.3026722854376538
Energy: 1.4600501693634707
Energy: 1.3768786735032548
Energy: 1.3993270624351415
Energy: 1.2478759752748283
Energy: 1.1717131400426501
Energy: 1.4824641775992522
Energy: 1.3872062391452955
Energy: 1.477659609451173
Energy: 1.3069756543309823
Energy: 1.1740775155239536
Energy: 1.4382384957206504
Energy: 1.5301397825046392
Energy: 1.3991894447626827
Energy: 1.17326686907478
Energy: 1.3903147872186996
Energy: 1.3930558950252656
Energy: 1.581745148250948
Energy: 1.392459690907097
Energy: 1.2451137726456616
Energy: 1.4363338013596076
Energy: 1.412578313214521
Energy: 1.3688800694966174
Energy: 1.480545193190579
Energy: 1.179116847871033
Energy: 1.3598765677865987
Energy: 1.4120254455134948
Energy: 1.4272567741340922
Energy: 1.3804829104950367
Energy: 1.1798902178314745
Energy: 1.3621567449557699
Energy: 1.4055606413074628
Energy: 1.3626778366599388
Energy: 1.439751741430034
Energy: 1.3904370998587618
Energy: 1.3875676753298742
Energy: 1.4088119435451059
Energy: 1.361149330226265
Energy: 1.5720470408039493
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Energy: 1.4240205178983987
Energy: 1.2080364147807598
Energy: 1.1102790302736694
Energy: 1.562924084317751
Energy: 1.388705156520502
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Energy: 1.2959493913425504
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Energy: 1.5409768087481663
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Energy: 1.2442220642234512
Energy: 1.1747746043907674
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Energy: 1.2617777574832514
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Energy: 1.3798884383788246
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Energy: 1.4832404786078828
Energy: 1.0216959437737076
Energy: 1.0240850764877918
Energy: 1.4601524116191695
Energy: 1.506288347034041
Energy: 1.55638811765315
Energy: 1.0342324061150316
Energy: 1.3730726247147085
Energy: 1.4717953521127203
Energy: 1.5000491949559644
Energy: 1.4690515194187326
Energy: 1.4839102023142365
Energy: 1.3920809933411473
Energy: 1.4636450850046494
Energy: 1.464350095372823
Energy: 1.3735181236959606
Energy: 1.5760354517526731
Energy: 1.4297344828647731
Energy: 1.4651949811102511
Energy: 1.4835597787240704
Energy: 1.4196752531492798
Energy: 1.021099756531947
Energy: 1.4249956651014772
Energy: 1.4386505734299364
Energy: 1.2497754436374726
Energy: 1.1945899788530945
Energy: 1.093421506836198
Energy: 1.4499997687325892
Energy: 1.4311906683609243
Energy: 1.2346708279254335
Energy: 1.0219911418030003
Energy: 1.0224280653995896
Energy: 1.4294426869372383
Energy: 1.1759379843337967
Energy: 1.2900306540659399
Energy: 1.1724724590109141
Energy: 1.1838631673322273
Energy: 1.3767939720683837
Energy: 1.1768478061256944
Energy: 1.2478725718212569
Energy: 1.0203037727891002
Energy: 1.1123696932337521
Energy: 1.1741488148082304
Energy: 1.245483388409601
Energy: 1.2172641838943794
Energy: 1.1464645455588174
Energy: 1.2788207147881092
Energy: 1.176336357143086
Energy: 1.200583522654559
Energy: 1.0231613069463221
Energy: 1.1456826124279693
Energy: 1.5225039037476242
Energy: 1.4367057872578812
Energy: 1.424012551804019
Energy: 1.4316314084826696
Energy: 1.1852720512580266
Energy: 1.5015498423425981
Energy: 1.3663648284311833
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Energy: 1.511653150895216
Energy: 1.0228077748798583
Energy: 1.3877984914554182
Energy: 1.3783828300725143
Energy: 1.4121901343646424
Energy: 1.1709623553300121
Energy: 1.398818982370149
Energy: 1.3821279171297143
Energy: 1.4684124535319718
Energy: 1.4137996849609415
Energy: 1.3843331352721864
Energy: 1.3978966069651442
Energy: 1.4081255695854984
Energy: 1.4197483558083612
Energy: 1.5315779895490031
Energy: 1.1783533498185614
Energy: 1.52879244384435
Energy: 1.411121393810465
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Energy: 1.178692662734393
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Energy: 1.4004636213074342
Energy: 1.3901539864211674
Energy: 1.3140503895728446
Energy: 1.247606855687453
Energy: 1.3847809007024736
Energy: 1.405948732268465
Energy: 1.3347858180176986
Energy: 1.2938978877032878
Energy: 1.2512198082495094
Energy: 1.3806687103854578
Energy: 1.4201113404116539
Energy: 1.207718753432779
Energy: 1.1028109288157428
Energy: 1.575871251789103
Energy: 1.3957568873755815
Energy: 1.4280278590148592
Energy: 1.2068658365061855
Energy: 1.103708734019258
Energy: 1.4314417904269756
Energy: 1.393046358467114
Energy: 1.2457747229897438
Energy: 1.2436028711177922
Energy: 1.1725582321798556
Energy: 1.242528175139511
Energy: 1.5343092147751431
Energy: 1.2542396875406876
Energy: 1.2569367104287668
Energy: 1.1719236103915414
Energy: 1.2229787547076667
Energy: 1.2617850205763914
Energy: 1.510638744512279
Energy: 1.1679128133223116
Energy: 1.2824638631001157
Energy: 1.1652362565242935
Energy: 1.2789994191462186
Energy: 1.2667271020458606
Energy: 1.180499238810147
Energy: 1.2482778837923059
Energy: 1.1812354381114645
Energy: 1.3450451419868477
Energy: 1.487408816725047
Energy: 1.181780916064957
Energy: 1.250518721716945
Energy: 1.4258331371343023
Energy: 1.3594035954795578
Energy: 1.4950714751029122
Energy: 1.1503784115612863
Energy: 1.261082869065229
Energy: 1.5230219942187542
Energy: 1.423543084799235
Energy: 1.5202153909021303
Energy: 1.381416804518875
Energy: 1.4437943295416795
Energy: 1.487558492620812
Energy: 1.469005244872197
Energy: 1.1511017223714601
Energy: 1.311790827042389
Energy: 1.3520726197144364
Energy: 1.4686272783886822
Energy: 1.4383983304642805
Energy: 1.2789582107775141
Energy: 1.1813143102592785
Energy: 1.3613184327754193
Energy: 1.4448909293031187
Energy: 1.406776988029431
Energy: 1.1481055405114546
Energy: 1.5015525588632475
Energy: 1.358742186457062
Energy: 1.4100149113944223
Energy: 1.5363131133759935
Energy: 1.5540320136563328
Energy: 1.3088143427242331
Energy: 1.3712178588725497
Energy: 1.3778477881309004
Energy: 1.3828858006125198
Energy: 1.5815907565500138
Energy: 1.3154466535282363
Energy: 1.364030250277691
Energy: 1.3667933125123704
Energy: 1.4762177570780775

minimum gb energy = 1.0203037727891002 eV
minimum distance =  2.2963761435612 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.1741253649830394
Energy: 1.294874625503909
Energy: 1.2666500354242718
Energy: 1.2982080336680408
Energy: 1.2565136655468119
Energy: 1.2636456702458119
Energy: 1.2591503082041324
Energy: 1.2801929600973685
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Energy: 1.2213106552890505
Energy: 1.4001437372950374
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Energy: 1.2805057944064384
Energy: 1.3018686276770761
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Energy: 1.2168247381661648
Energy: 1.209306526278949
Energy: 1.2969987158449008
Energy: 1.254377443499161
Energy: 1.3578210915461684
Energy: 1.3496105668055494
Energy: 1.2589773363636736
Energy: 1.2567716604459307
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Energy: 1.3084588570469398
Energy: 1.3576053258251395
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Energy: 1.2987413213578358
Energy: 1.2108630949589139
Energy: 1.3142484374357126
Energy: 1.205203441076651
Energy: 1.251456542359837
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Energy: 1.3138200183322766
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Energy: 1.2611184093909993
Energy: 1.4894780522301394
Energy: 1.3587064749903002
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Energy: 1.2125584019346711
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Energy: 1.2882817788466243
Energy: 1.2985985933633688
Energy: 1.2474968342134733
Energy: 1.2544932347890092
Energy: 1.5045655754123415
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Energy: 1.216891406993537
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Energy: 1.3164829623251755
Energy: 1.2902465458244512
Energy: 1.3153375581861078
Energy: 1.350589925165241
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Energy: 1.3403498313973805
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Energy: 1.2443633069558353
Energy: 1.2970315329805793
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Energy: 1.334813499793141
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Energy: 1.2086573308341566
Energy: 1.3281886589413903
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Energy: 1.2720016289841156
Energy: 1.2670473991889348
Energy: 1.2888370011846848
Energy: 1.6554506331973995
Energy: 1.2563292865425948
Energy: 1.2727272636022982
Energy: 1.2528064329036182
Energy: 1.3135521373365626
Energy: 1.306102885805867
Energy: 1.2864091198608913
Energy: 1.2736684339044357
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Energy: 1.279174319721793
Energy: 1.3161462670845412
Energy: 1.273647435029591
Energy: 1.2284844000936124
Energy: 1.2663253194943171
Energy: 1.3023615888194218
Energy: 1.3459124623980157
Energy: 1.275184884694643
Energy: 1.3026681507368347
Energy: 1.4192097860522375
Energy: 1.2583170004372346
Energy: 1.332099954692561
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Energy: 1.210398141664573
Energy: 1.2614504968278466
Energy: 1.3060663716643899
Energy: 1.3148968998988901
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Energy: 1.2591946734497603
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Energy: 1.314216441349607
Energy: 1.31264163758452
Energy: 1.3737969592537351
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Energy: 1.3027649804070047
Energy: 1.324123618737509
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Energy: 1.2766010571699633
Energy: 1.3586314140982187
Energy: 1.187770120027977
Energy: 1.243299234987524
Energy: 1.3201854535228161
Energy: 1.2167157123612657
Energy: 1.2860333756046132
Energy: 1.3286143341604788
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minimum gb energy = 1.1788645706362488 eV
minimum distance =  2.27133789177884 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.3275018748974965
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Energy: 1.326772960861588
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Energy: 1.327704449334615
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Energy: 1.3115798267579286
Energy: 1.2799660286791295
Energy: 1.27672470136822
Energy: 1.2656168359705304
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Energy: 1.3139149627616535
Energy: 1.2797939300109393
Energy: 1.2771981497343243
Energy: 1.2708371879279048
Energy: 1.3399640485079676
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Energy: 1.2989538756528338
Energy: 1.2681264065103057
Energy: 1.2640200077111499
Energy: 1.2791213236148677
Energy: 1.3275913014390688
Energy: 1.2695499981148382
Energy: 1.3442031651545943
Energy: 1.269317391616758
Energy: 1.3080387664874702
Energy: 1.2746008261858202
Energy: 1.2701914878602218
Energy: 1.3326467856258892
Energy: 1.2836675197668552
Energy: 1.302882923508801
Energy: 1.2737073480390448
Energy: 1.270995612297861
Energy: 1.2331014995691536
Energy: 1.3633026398014914
Energy: 1.2906900266563985
Energy: 1.2792100909239894
Energy: 1.2661617901287456
Energy: 1.24035162750034
Energy: 1.2780929411565176
Energy: 1.2451008433923478
Energy: 1.275280243661843
Energy: 1.2729557091669135
Energy: 1.3367660753074693
Energy: 1.2852573399228748
Energy: 1.288527130637522
Energy: 1.3276311757283727
Energy: 1.270050480843251
Energy: 1.3529390429660355
Energy: 1.318899490353946
Energy: 1.2721189331520082
Energy: 1.3473284753144925
Energy: 1.2697573875897263
Energy: 1.352206124243386
Energy: 1.2552971827377655
Energy: 1.369506610128488
Energy: 1.2468318446864228
Energy: 1.2213717075138235
Energy: 1.2653930630813413
Energy: 1.2565972779760868
Energy: 1.3583527067541281
Energy: 1.2394115799407899
Energy: 1.2349312607461953
Energy: 1.2731895827031257
Energy: 1.222737652419359
Energy: 1.2451962832308068
Energy: 1.2686936116054
Energy: 1.2774408933670112
Energy: 1.2443734000061444
Energy: 1.2368821298062422
Energy: 1.2294533823746818
Energy: 1.2562009903973481
Energy: 1.2380129080534115
Energy: 1.2664346608999744

minimum gb energy = 1.1744344070724275 eV
minimum distance =  2.316768418416 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.5983761148968132
Energy: 1.2532030919601893
Energy: 1.1933770530121264
Energy: 1.2289739505167723
Energy: 1.2019921876956299
Energy: 1.4944483128817565
Energy: 1.2234879307396807
Energy: 1.2296689430662282
Energy: 1.24942379873419
Energy: 1.2256973518806986
Energy: 1.2951735048254909
Energy: 1.2734019329270652
Energy: 1.2282580328655421
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Energy: 1.2219116449582395
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Energy: 1.2646973079190602
Energy: 1.3319386946160456
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Energy: 1.2251358987602463
Energy: 1.3607675744439758
Energy: 1.2280229483636191
Energy: 1.3454975140818701
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Energy: 1.229770664847309
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Energy: 1.1243589344029152
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Energy: 1.2394108575707978
Energy: 1.184866388566497
Energy: 1.2764018991168897
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Energy: 1.2736656873647403
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Energy: 1.2751301125678447
Energy: 1.3134199917579545
Energy: 1.176927666166366
Energy: 1.2960123370196885
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Energy: 1.1974355737742353
Energy: 1.2578555946442598
Energy: 1.3093794131132879
Energy: 1.2533360614717801
Energy: 1.230045758590525
Energy: 1.1972864284643336
Energy: 1.3584669363985629
Energy: 1.3039462962230597
Energy: 1.242935296590794
Energy: 1.2401616233073633
Energy: 1.2887997854113247
Energy: 1.3221447665989658
Energy: 1.2241181666596672
Energy: 1.251373197114818
Energy: 1.2494042274704724
Energy: 1.2912380556375795
Energy: 1.3577711709839506
Energy: 1.219473360740343
Energy: 1.1700752359073208
Energy: 1.2464478276301352
Energy: 1.2598926939377446
Energy: 1.201423562286594
Energy: 1.2206213321164918
Energy: 1.2481302877788012
Energy: 1.2494047230869523
Energy: 1.2434699891461942
Energy: 1.241851197872122
Energy: 1.2367059638260465
Energy: 1.2933979135084608
Energy: 1.1719262472649232
Energy: 1.166839751758633
Energy: 1.1900211216727887
Energy: 1.234303858118492
Energy: 1.2317395051379068
Energy: 1.1765593494557165
Energy: 1.2210553419856105
Energy: 1.1761601624519447
Energy: 1.2735682995971365
Energy: 1.2898953545153033
Energy: 1.2674890222644248
Energy: 1.2203281171785296
Energy: 1.225907984963439
Energy: 1.2211145960910366
Energy: 1.2530206215010562
Energy: 1.2308135714665132
Energy: 1.3200657904886357

minimum gb energy = 1.121089563591833 eV
minimum distance =  2.33291521521526 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.2655341509506504
Energy: 1.0297979012291028
Energy: 1.0610877341657639
Energy: 1.0697836744993428
Energy: 1.0178776035823767
Energy: 1.0575024245095634
Energy: 1.0189408346051583
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Energy: 1.1427650224752122
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Energy: 1.1367939883558218
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Energy: 1.3283721586060342
Energy: 1.1891344178302596
Energy: 1.127712419902656
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Energy: 1.2488398275635257
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Energy: 1.1859847512874764
Energy: 1.1022268553925643
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Energy: 1.1185956599322513
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Energy: 1.0850635284993262
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Energy: 1.1670787401810967
Energy: 1.1332976313432175
Energy: 1.0401078654057576
Energy: 1.085796163310325
Energy: 1.13130698986972
Energy: 1.101338765724482
Energy: 1.1318140281752604
Energy: 1.0839991694743734
Energy: 1.100834494548602
Energy: 1.076580105500854
Energy: 1.1022414918491694
Energy: 1.1550385784768993
Energy: 1.1229660164480089
Energy: 1.0624531829079271
Energy: 1.0494464694541923
Energy: 1.0938858470324455
Energy: 1.1471922354503008
Energy: 1.1090119146621586
Energy: 1.0863027512097352
Energy: 1.1269226932401906
Energy: 1.0793371346785445
Energy: 1.1019163360134443
Energy: 1.1803500721099565
Energy: 1.0898522108755044
Energy: 1.0874129195652462
Energy: 1.066092500375371
Energy: 1.0810805150782605
Energy: 1.161490298855219
Energy: 1.1058385848870322
Energy: 1.0795850539171266
Energy: 1.0847684835711027
Energy: 1.0718716907722254
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Energy: 1.0203230166491015
Energy: 1.1079283472162742
Energy: 1.106622911740997
Energy: 1.104302538569675
Energy: 1.161947041907259
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Energy: 1.123047561786553
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Energy: 1.0878964551655101
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Energy: 1.093598273277753
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Energy: 1.1138463604857523
Energy: 1.0715522884353204
Energy: 1.1157487639817456
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Energy: 1.1743381306964906
Energy: 1.1156927372377183
Energy: 1.1350354498531796
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Energy: 1.1398684714046827
Energy: 1.1289462280793376
Energy: 1.1127270063028725
Energy: 1.1141512260537654
Energy: 1.2006947612268832
Energy: 1.1564564032350528
Energy: 1.1150341669543418
Energy: 1.1611782575006295
Energy: 1.167337936712849
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Energy: 1.185319776688426
Energy: 1.0858599048435724
Energy: 1.1482067527382955
Energy: 1.1554877486014283
Energy: 1.1602538478535578
Energy: 1.1627924490660397
Energy: 1.150800945097723
Energy: 1.1380860231876542
Energy: 1.137842957459483
Energy: 1.2224238604504376
Energy: 1.146730943026596
Energy: 1.1404890049349234
Energy: 1.1417424709950486
Energy: 1.137216278624563
Energy: 1.169417110905535
Energy: 1.107432143041266
Energy: 1.0952203723689689
Energy: 1.1242623448602505
Energy: 1.1549322724690871
Energy: 1.1198486970478572
Energy: 1.0968214600991335
Energy: 1.0964864834406118
Energy: 1.1383198848570741
Energy: 1.156823096860393
Energy: 1.2455364266521736
Energy: 1.1391137662769117
Energy: 1.1653391588436657
Energy: 1.088068342387767
Energy: 1.3112073453262243
Energy: 1.1906581649899068
Energy: 1.1381706779509118
Energy: 1.1499622059639674
Energy: 1.0877280594573357
Energy: 1.3265093832125792
Energy: 1.162864777393248
Energy: 1.3300727571111604
Energy: 1.0862174724640459
Energy: 1.0885704784740673
Energy: 1.0824077496530733
Energy: 1.1239149677043763
Energy: 1.0969532049276867
Energy: 1.0956167038482816
Energy: 1.0978458666976116
Energy: 1.0846861823762606
Energy: 1.098157940320933
Energy: 1.082568095115776
Energy: 1.063211246571761
Energy: 1.1024776944597645
Energy: 1.1449494952072747
Energy: 1.1384665746411142
Energy: 1.0826969920998584
Energy: 1.099700011592787
Energy: 1.0996398138492613
Energy: 1.143042361112545
Energy: 1.1200707026663739
Energy: 1.1342220146407522
Energy: 1.1438690991940428
Energy: 1.0197493654479082
Energy: 1.0188568496134611
Energy: 1.0638470986568727
Energy: 1.0601774647478708
Energy: 1.0941113518371435
Energy: 1.0188145702512927
Energy: 1.0330823686296002
Energy: 1.1777801182854093
Energy: 1.1230693380172523
Energy: 1.1989682301827802
Energy: 1.1945626914384129
Energy: 1.058750436321788
Energy: 1.1217727216339657
Energy: 1.05791096572284
Energy: 1.142871003194837
Energy: 1.1422345643861687
Energy: 1.093510570133121

minimum gb energy = 1.0178776035823767 eV
minimum distance =  2.3316878365458 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.204611787227606
Energy: 0.7640266128434018
Energy: 1.092723402364398
Energy: 0.7501887724663853
Energy: 0.7649754000667954
Energy: 0.96560908246313
Energy: 0.7549338222215226
Energy: 0.9726550453864751
Energy: 0.7556970035275771
Energy: 0.8890157687256925
Energy: 0.7162119541731872
Energy: 0.7706965657654126
Energy: 1.025042526599592
Energy: 0.6844853177407136
Energy: 0.7403004959777898
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Energy: 0.7252163311295426
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Energy: 0.7237796699459413
Energy: 0.7224320454761405
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Energy: 0.7035225394522072
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Energy: 0.7153554750953552
Energy: 0.7847051887621
Energy: 0.897296403758816
Energy: 0.7772184491468097
Energy: 0.9434971572481312
Energy: 0.6849045564980878
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Energy: 0.7964335133107229
Energy: 0.8360251807001429
Energy: 0.8321691849704633
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Energy: 0.8410297721071719
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Energy: 0.6720827534001534
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Energy: 0.833293136685852
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Energy: 0.7621735828749487
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Energy: 0.7915335780047199
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Energy: 0.8628201957049001
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Energy: 0.7811575301139535
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Energy: 0.8301483229813065
Energy: 0.8309580345430561
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Energy: 0.7650022777279842
Energy: 0.8290611820777593
Energy: 0.7992717300719688
Energy: 0.7611427457761868
Energy: 0.765847011736337
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Energy: 0.7933566658570128
Energy: 0.715811230215183
Energy: 0.8153859275338019
Energy: 0.7677467377164744
Energy: 0.8187008299493855
Energy: 0.7672775067772022
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Energy: 0.7951641639295901
Energy: 0.8392546404355454
Energy: 0.852444219536714
Energy: 0.7676663797548722
Energy: 0.772655472487633
Energy: 0.7979796738066901
Energy: 0.8388226141592446
Energy: 0.8403149103968188
Energy: 0.8008497402765641
Energy: 0.9385612958546448
Energy: 0.79756767048228
Energy: 0.8721020775774911
Energy: 0.8725352213347299
Energy: 0.8210008085156704
Energy: 0.804607407655766
Energy: 0.7738836954751689
Energy: 0.7974326342883948
Energy: 0.7673869467734532
Energy: 0.8085916674391079
Energy: 0.8400715345505488
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Energy: 0.7679272430799386
Energy: 0.8306792163631924
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Energy: 0.8399349884255775
Energy: 0.8603294823243681
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Energy: 0.8411156959807149
Energy: 0.8781609368995753
Energy: 0.8801031569740803
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Energy: 0.8130372053318681
Energy: 0.8415173711789692
Energy: 0.8070452859306892
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Energy: 0.9770846710985521
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Energy: 0.818416668227755
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Energy: 0.7808586494032246
Energy: 0.7885550303962194
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Energy: 0.844663669315078
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Energy: 0.7712733275541045
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Energy: 0.7897876600667086
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Energy: 0.7799447629779546
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Energy: 0.8108915097011113
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Energy: 0.9877489571955024
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Energy: 0.8011997199969706
Energy: 0.8085412780423438
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Energy: 0.8012796332665595
Energy: 0.8015931434859456
Energy: 0.9665710672568905
Energy: 0.7743212868492254
Energy: 0.7798058851096175
Energy: 0.780962011219938
Energy: 0.7910313608518913
Energy: 1.1892063246663271
Energy: 0.8090475733588495
Energy: 0.8448958171689169
Energy: 0.8060046575125238
Energy: 0.7810909605794681
Energy: 0.8008328399507311
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Energy: 0.8072874955356885
Energy: 0.8398317632763299
Energy: 0.8211335411549548
Energy: 0.8460759391274021
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Energy: 0.8610512800518633
Energy: 0.8334550382536138
Energy: 0.8391853003568372
Energy: 0.9344403317876512
Energy: 0.7688491857223925
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Energy: 0.7672704017908847
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Energy: 0.7938626899860616
Energy: 0.7674241595802221
Energy: 0.9391643723773422
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Energy: 0.8300858548095182
Energy: 0.8325323154364523
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Energy: 0.8635410483710044
Energy: 0.8658262722729488
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Energy: 0.8311470367453828
Energy: 0.7606581028654397
Energy: 0.7515823169991231
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Energy: 0.8644892801157446
Energy: 0.8637278421442901
Energy: 0.7208598336210252
Energy: 0.7484721498102647
Energy: 0.7241564597497693
Energy: 0.750952024452207
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Energy: 0.7134976789404956
Energy: 0.7347412106423019
Energy: 0.7818560666034354
Energy: 0.7792170816450819
Energy: 0.7652117474732975
Energy: 0.756139713465958
Energy: 0.8357038974717076
Energy: 0.8355209532072504
Energy: 0.7623277743732415
Energy: 0.7370588208939687
Energy: 0.7882671967207632
Energy: 0.8306299825493468
Energy: 0.8308214650713476
Energy: 0.7735103564774508
Energy: 1.1391833518770538
Energy: 0.7249850486013194
Energy: 0.7288490653433576
Energy: 0.8379484762356196
Energy: 0.7593599204315117
Energy: 0.7280228771379678
Energy: 0.7334817966394408
Energy: 0.7825623028457961
Energy: 0.7585686705176534
Energy: 0.7213037104111976
Energy: 0.7294059868261785
Energy: 0.7130880569856668
Energy: 0.8448457683341787
Energy: 0.7213786628033091
Energy: 0.6991262663457252
Energy: 0.6964211947767157
Energy: 0.7032476654649377
Energy: 0.843301545428226
Energy: 0.7042234794081662
Energy: 0.7150763220493968
Energy: 0.9634703009650772
Energy: 0.7851611768677259
Energy: 0.7823198843936717
Energy: 0.7592713632303558
Energy: 0.8654518788536166
Energy: 0.725124056345264
Energy: 0.8579038242367047
Energy: 0.8583228900060896
Energy: 0.8190830044014077
Energy: 0.7324915379075155
Energy: 0.7357822135689791
Energy: 0.7203593098295666
Energy: 0.7526684463242069
Energy: 0.7217858574563893
Energy: 0.6903160063696713
Energy: 0.869122343522642
Energy: 0.7045829962606145
Energy: 0.7295088989725823
Energy: 0.7268730773522507
Energy: 0.9328607073228619
Energy: 0.8009304459756548
Energy: 0.8915324954592337
Energy: 0.7213103990563836
Energy: 0.6520294891853617
Energy: 0.7408033312331757
Energy: 0.7131804972772412
Energy: 0.8741952986962951
Energy: 0.6488818949980006
Energy: 0.9286406816083458
Energy: 0.7850356682957463
Energy: 0.8928345964552759

minimum gb energy = 0.6488818949980006 eV
minimum distance =  2.30674128225044 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.3146747862990662
Energy: 0.9612607374795946
Energy: 0.9690344112978868
Energy: 0.9501362702861271
Energy: 0.9354103343473255
Energy: 0.9373502841392864
Energy: 0.9463157148710274
Energy: 0.9490865794390613
Energy: 0.9881559360780102
Energy: 0.9848789277215075
Energy: 0.9965940544949148
Energy: 0.9478526574945534
Energy: 0.9539847326875338
Energy: 0.9701415443187085
Energy: 0.9597340865004325
Energy: 0.9591852105073555
Energy: 0.934294535336174
Energy: 0.9711517551436277
Energy: 0.9692234119180062
Energy: 0.9730025269924073
Energy: 0.9712173981897334
Energy: 0.948443573328885
Energy: 0.9471976048719397
Energy: 1.024331331672531
Energy: 0.9496208274386911
Energy: 0.9709727890688934
Energy: 0.9448371009451212
Energy: 0.9446335607083143
Energy: 1.029441507516047
Energy: 0.9497413434209552
Energy: 1.0101835513640687
Energy: 0.9855158321350957
Energy: 1.0141105169621876
Energy: 0.9560814463995861
Energy: 0.9916868539825573
Energy: 1.009959565152752
Energy: 0.9830982903365634
Energy: 0.9789292111359031
Energy: 1.0103164867980388
Energy: 0.9514459877228391
Energy: 0.9705365534993078
Energy: 0.9666855932737634
Energy: 1.0305396775811226
Energy: 0.9789303476059212
Energy: 1.018727331429458
Energy: 0.9799392015561819
Energy: 0.9825536910787968
Energy: 0.9822368964286605
Energy: 0.9696690697939985
Energy: 1.0088379797438127
Energy: 0.971126433052606
Energy: 0.9701887995164815
Energy: 1.068564685161375
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Energy: 0.9878043914869651
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Energy: 0.9522064424927679
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Energy: 1.0589809024002421
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Energy: 1.0321510719306037
Energy: 1.0131533862037188
Energy: 1.0886620794438875
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Energy: 1.0124416944169583
Energy: 1.0355740504539115
Energy: 1.005988874543187
Energy: 0.9697321402059524
Energy: 0.97185953061244
Energy: 0.9765396333778372
Energy: 0.9985495399713692
Energy: 0.9691766257405016
Energy: 0.9695627722380884
Energy: 0.9971507025306873
Energy: 0.9652551347288659
Energy: 0.9706506098340257
Energy: 0.9693314627941699
Energy: 0.9692335331355563
Energy: 1.0202550228948002
Energy: 1.209018080350399
Energy: 0.9883068325122245
Energy: 0.9701486014523603
Energy: 0.968824376405874
Energy: 1.0135651322262125
Energy: 1.2085442617518196
Energy: 0.9884394924862936
Energy: 0.9701526778471538
Energy: 1.2225433287081995
Energy: 1.0032808948333194
Energy: 1.0947910174011564
Energy: 0.9657595619212904
Energy: 0.9660269982602564
Energy: 1.1971435801824895
Energy: 1.0091042784372595
Energy: 1.0744211122372813
Energy: 0.9661444166044073
Energy: 1.0152271744304848
Energy: 1.025880547498727
Energy: 1.003073915586337
Energy: 0.9968533292563039
Energy: 0.965118114018385
Energy: 0.9653305677353795
Energy: 0.9754932122735969
Energy: 0.9793958543763958
Energy: 1.0074784926144777
Energy: 0.9652826939810267
Energy: 0.9653730941710684
Energy: 1.037045725347812
Energy: 0.9914715072984612
Energy: 1.2117179425502245
Energy: 0.9658110605708775
Energy: 0.9503850191867395
Energy: 1.037442828718459
Energy: 0.9907286068473844
Energy: 1.2113679511444173
Energy: 0.972110575255728
Energy: 0.9503345259694084
Energy: 1.1234547639336183
Energy: 1.1523790530450724
Energy: 0.9655859025257303
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Energy: 0.9622862982582931
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Energy: 1.0001997516240209
Energy: 1.0301553074228484
Energy: 1.1206223317952342
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Energy: 0.9861593473346609
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Energy: 1.029792648539969
Energy: 1.144754931305812
Energy: 0.987829862772012
Energy: 0.951333315495603
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Energy: 0.9614573763582265
Energy: 0.962123291273646
Energy: 0.9864004582390238
Energy: 0.9502967347440013
Energy: 1.090272857262028
Energy: 0.9645315377087352
Energy: 0.9660136837787867
Energy: 1.0005465347654166
Energy: 0.9630087641820231
Energy: 1.0090095841176159
Energy: 0.9935379691033226
Energy: 0.9470170270017912
Energy: 0.959511423661234
Energy: 0.9946189299951796
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Energy: 0.9662684585005286
Energy: 0.9652235306573145
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Energy: 0.9339723435469697
Energy: 0.9469285283627674
Energy: 0.9484456556870096
Energy: 1.0071346245657025
Energy: 1.1347736439528897

minimum gb energy = 0.9333236519022275 eV
minimum distance =  2.32005104944685 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.751385802514616
Energy: 1.233750717139253
Energy: 1.1930592548450425
Energy: 1.1945764862796764
Energy: 1.2603379936282373
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Energy: 1.1926475279978586
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Energy: 1.2272278411358724
Energy: 1.3060578329931276
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Energy: 1.2049574067606448
Energy: 1.2320009756282022
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Energy: 1.2361217980226427
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Energy: 1.2333813621742618
Energy: 1.234305074285415
Energy: 1.2345440076684802
Energy: 1.2555309845013551
Energy: 1.2223258106969144
Energy: 1.253905701883719
Energy: 1.2379963111616203
Energy: 1.2346561652202004
Energy: 1.2332780911972496
Energy: 1.2258416882703527
Energy: 1.2463319848706356
Energy: 1.2504813977740072
Energy: 1.2321495524805237
Energy: 1.2547312758930982
Energy: 1.227352196218034
Energy: 1.2451297278119555
Energy: 1.2336302979578704
Energy: 1.2334529848514155
Energy: 1.2224503169828234
Energy: 1.2562785764380766
Energy: 1.1926854376823457
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Energy: 1.2321920110218276
Energy: 1.2243395403850184
Energy: 1.2325603724942809
Energy: 1.1956037147699365
Energy: 1.1918051253999762
Energy: 1.2319353581337242

minimum gb energy = 1.1377825132721218 eV
minimum distance =  2.32619926751856 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 2.017143647174019
Energy: 1.3837898172895235
Energy: 1.4104302285282933
Energy: 1.3796451161593946
Energy: 1.4284766400414597
Energy: 1.7500161510242962
Energy: 1.414416637551322
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Energy: 1.385038826853917
Energy: 1.3816557646867957
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Energy: 1.331665628958075
Energy: 1.3915004199647125
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Energy: 1.3359761341137324
Energy: 1.44036154223207
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Energy: 1.3286425234080272
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Energy: 1.3850510448205402
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Energy: 1.3300422432049643
Energy: 1.413352202195955
Energy: 1.3362712901895022
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Energy: 1.4471440402677038
Energy: 1.4285255561145336
Energy: 1.4573221383297963
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Energy: 1.4044009388171201
Energy: 1.4063026258394504
Energy: 1.4209871215959096
Energy: 1.4633931834862173
Energy: 1.3961362502728747
Energy: 1.4830391474959688
Energy: 1.3245438787250934
Energy: 1.4000864862645612
Energy: 1.4040736432671592
Energy: 1.3833678041629698
Energy: 1.5812525417027548
Energy: 1.326027296424581
Energy: 1.3990347753290695
Energy: 1.4049466940249524
Energy: 1.4062049491250914
Energy: 1.4014813965824238
Energy: 1.3465485504025292
Energy: 1.3359636820673682
Energy: 1.360811567774369
Energy: 1.4071054057338925
Energy: 1.3986958125461895
Energy: 1.328416064644981
Energy: 1.3320355087865035
Energy: 1.3667445448255355
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minimum gb energy = 1.3143710008366636 eV
minimum distance =  2.29175646484144 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.3397597913160184
Energy: 1.3431845287217594
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Energy: 1.342210698518211
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Energy: 1.4060270831295096
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Energy: 1.3540357525844589
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Energy: 1.3865368936167581
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Energy: 1.3272669094027048
Energy: 1.5120263140476513
Energy: 1.361776228246771
Energy: 1.385414178183002
Energy: 1.3249869592678174
Energy: 1.3605305414765263
Energy: 1.3789365849907906
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Energy: 1.3635255915376276
Energy: 1.3618471525184497
Energy: 1.3603901479344904
Energy: 1.3808471054380653
Energy: 1.3785148143744401
Energy: 1.673119119292232
Energy: 1.3461082391581782
Energy: 1.3826088276062285
Energy: 1.3905483205971398
Energy: 1.3639867549981612
Energy: 1.3685905292702247
Energy: 1.3445427520872075
Energy: 1.3818056817973525
Energy: 1.3834956729714492
Energy: 1.3778667604788717
Energy: 1.32469137939831
Energy: 1.3433799435547977
Energy: 1.336272531297797
Energy: 1.3502403147468451
Energy: 1.5336989888052495
Energy: 1.43116846000748
Energy: 1.3434783924651021
Energy: 1.3371951756560512
Energy: 1.3812371929168636
Energy: 1.4420588376225083
Energy: 1.451074839010245
Energy: 1.3420785057455915
Energy: 1.4126267568150692
Energy: 1.409799228138921
Energy: 1.5346903117127906
Energy: 1.3530302145774338
Energy: 1.34352125845818
Energy: 1.414543823317449
Energy: 1.4118703363335265
Energy: 1.5349914664383406
Energy: 1.3522467989916458
Energy: 1.3422240516013828
Energy: 1.3383585901351716
Energy: 1.4209234590858213
Energy: 1.3865083311832436
Energy: 1.4425354746463719
Energy: 1.3440610695176853
Energy: 1.3420604558955878
Energy: 1.4221978705643126
Energy: 1.3875424537815801
Energy: 1.4454481887313109
Energy: 1.3412963027807652
Energy: 1.372346307026889
Energy: 1.4072056493521972
Energy: 1.3535555292214292
Energy: 1.5393510933435945
Energy: 1.3432029243548533
Energy: 1.3665222368375323
Energy: 1.406958280265669
Energy: 1.3501342771141336
Energy: 1.537542682293169
Energy: 1.360283414266234
Energy: 1.3700341252623423
Energy: 1.5291559676029316
Energy: 1.3418109862421363
Energy: 1.3774840188655533
Energy: 1.359348081571697
Energy: 1.340439781872351
Energy: 1.5250744842614539
Energy: 1.3392580622467394
Energy: 1.368766918658641

minimum gb energy = 1.316617685106159 eV
minimum distance =  2.31705050635022 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.2175337264886306
Energy: 1.2735169916509546
Energy: 1.2691783831073062
Energy: 1.2797723656332545
Energy: 1.2281548074557842
Energy: 1.219296165404474
Energy: 1.271397229674048
Energy: 1.2699668749588688
Energy: 1.3665230278845846
Energy: 1.228106318900012
Energy: 1.380867630050991
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Energy: 1.36379705381669
Energy: 1.271882611548968
Energy: 1.2685241922327806
Energy: 1.2642399166243703
Energy: 1.2715733026893334
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Energy: 1.2721160199910295
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Energy: 1.3827085361921145
Energy: 1.2835098952100383
Energy: 1.2697684038397248
Energy: 1.2266794264215772
Energy: 1.2271866580518411
Energy: 1.2713654780847732
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Energy: 1.2645835939580832
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Energy: 1.3830823447235003
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Energy: 1.2288121435757777
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Energy: 1.2643656360295628
Energy: 1.2758289151345077
Energy: 1.2708101364463062
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Energy: 1.2732566607326223
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Energy: 1.2760204871426577
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Energy: 1.2657511711161864
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Energy: 1.2715382021054222
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Energy: 1.271374860735505
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Energy: 1.3704974779737928
Energy: 1.2281627526634267
Energy: 1.2194927723956797
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Energy: 1.388767605310796
Energy: 1.3669429741195087
Energy: 1.228561182351174
Energy: 1.3407714532984236
Energy: 1.2612450905682786
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Energy: 1.2747253399379685
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Energy: 1.394939481111804
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Energy: 1.3891621854129899
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Energy: 1.2262819066126913
Energy: 1.227281270421464
Energy: 1.2720796016228382
Energy: 1.2715859121080564
Energy: 1.2767806117063036
Energy: 1.22546859778823
Energy: 1.2282766826628024
Energy: 1.2713195586432522
Energy: 1.3796623089691122
Energy: 1.2690280627838209
Energy: 1.22883660542107
Energy: 1.224671950887558
Energy: 1.2604480387207804
Energy: 1.268004958249801
Energy: 1.2695043065161413
Energy: 1.2283937681693629
Energy: 1.2262207961074878
Energy: 1.2765791810471154
Energy: 1.268964605818535
Energy: 1.2710442576778034
Energy: 1.3724171811393595
Energy: 1.2697589126243565
Energy: 1.2606766677750891
Energy: 1.2743849049394531
Energy: 1.271633289210997
Energy: 1.3723143620862843
Energy: 1.3646986020093523
Energy: 1.2628761627008294
Energy: 1.2740337593346767
Energy: 1.382495391935485
Energy: 1.2278515612059888
Energy: 1.2714506597794348
Energy: 1.2614515390863759
Energy: 1.2655924134002057
Energy: 1.3822786497053732
Energy: 1.2269801700337077
Energy: 1.2719232305355679
Energy: 1.2619105614339674
Energy: 1.2682403658842283
Energy: 1.3630230108873462
Energy: 1.383002085741249
Energy: 1.2713766776684334
Energy: 1.2236407931476538
Energy: 1.228962257261355
Energy: 1.3683670006900008
Energy: 1.3842676140711352
Energy: 1.2701456601782513
Energy: 1.2236849581008882
Energy: 1.228405375600668
Energy: 1.2636879668488321
Energy: 1.2754805255809354
Energy: 1.270392567771783
Energy: 1.2265780163358313
Energy: 1.2641282467354418
Energy: 1.2624794503158863
Energy: 1.2713607447433548
Energy: 1.271836129567074
Energy: 1.2262435558649423
Energy: 1.270389262757088
Energy: 1.2634258741068762
Energy: 1.2658148395302546
Energy: 1.3837470372872767
Energy: 1.3719579868672256
Energy: 1.3719415340279884
Energy: 1.2668217382327285
Energy: 1.2659820446901011
Energy: 1.3793029649772222
Energy: 1.2769691803298409
Energy: 1.2656833988629967
Energy: 1.226848287126298
Energy: 1.273040530787961
Energy: 1.3651834600673267
Energy: 1.2778291027520983
Energy: 1.3380224972837604
Energy: 1.2271498451260792
Energy: 1.2715249203329608
Energy: 1.2266438195577682
Energy: 1.3815918463406331
Energy: 1.3372192570252892

minimum gb energy = 1.2175337264886306 eV
minimum distance =  2.3447497281738 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.1896655303220207
Energy: 1.4051536050741578
Energy: 1.4016325113951285
Energy: 1.4059632259438426
Energy: 1.3266378998888768
Energy: 1.3059414345146276
Energy: 1.4077072379165554
Energy: 1.4404728292660258
Energy: 1.397733547202816
Energy: 1.4184197774635807
Energy: 1.3293713800330953
Energy: 1.4159259303296003
Energy: 1.3554049348867265
Energy: 1.356636620719329
Energy: 1.3993623961564754
Energy: 1.296414037761143
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Energy: 1.351021664600274
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Energy: 1.3482794352548417
Energy: 1.482332289982791
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Energy: 1.409187420546873
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Energy: 1.468118999012459
Energy: 1.3983549142655227
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Energy: 1.478749681820864
Energy: 1.3849577583287207
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Energy: 1.5013361257335311
Energy: 1.5101494012228909
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Energy: 1.4044906774560006
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Energy: 1.3372616858429336
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Energy: 1.4809541101652366
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Energy: 1.5272192420745665
Energy: 1.4821808715073441
Energy: 1.4200835914994994
Energy: 1.3572153735381198
Energy: 1.292355324964269
Energy: 1.4283381688800971
Energy: 1.4446342231360723
Energy: 1.3567276351902604
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Energy: 1.2929248333228187
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Energy: 1.3217613795629977
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Energy: 1.4909925080346342
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Energy: 1.3362728470086846
Energy: 1.4045738902096845
Energy: 1.502873889204678
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Energy: 1.4919146294179766
Energy: 1.3911714968453104
Energy: 1.3985668451521127
Energy: 1.3268242239283077
Energy: 1.5208467467443072
Energy: 1.5048666594486348
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Energy: 1.4086641152425057
Energy: 1.2904920050161912
Energy: 1.4210790375910958
Energy: 1.4720012090506007
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Energy: 1.585660541121037
Energy: 1.4253237609737368
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Energy: 1.5697462466725371
Energy: 1.4252249770150174
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Energy: 1.569145187268739
Energy: 1.3232333396880323
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Energy: 1.3202293278145372
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Energy: 1.4335401802094248
Energy: 1.4778470226337994
Energy: 1.316657611347091
Energy: 1.3192762093459318
Energy: 1.3609250846090235
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Energy: 1.4300717142171808
Energy: 1.316621927247218
Energy: 1.3202058914720223
Energy: 1.4487545274476277
Energy: 1.3073588611943219
Energy: 1.3224600463962346
Energy: 1.3789407035365997
Energy: 1.3601711393917275
Energy: 1.4519974969555278
Energy: 1.3421200933768476
Energy: 1.3219605062738644
Energy: 1.5571000964492112
Energy: 1.4252149022988114
Energy: 1.3354190740041856
Energy: 1.328540050432848
Energy: 1.3374133895692133
Energy: 1.5787340271923729
Energy: 1.3825246071773394
Energy: 1.334664712662775
Energy: 1.335234172164556
Energy: 1.421851081025745
Energy: 1.5788575476253888
Energy: 1.3766594905549216
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Energy: 1.3100080174526763
Energy: 1.434505874166664
Energy: 1.3718284471176787
Energy: 1.3325338837433944
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Energy: 1.4949012289849999
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Energy: 1.390541296136774
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Energy: 1.407530521408969
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Energy: 1.3944852736713698
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Energy: 1.3130723537289049
Energy: 1.3323312434975954
Energy: 1.5749183866300605
Energy: 1.577493848477053
Energy: 1.5455054398549108
Energy: 1.3123821910305598
Energy: 1.3408971274871548
Energy: 1.547776232614586
Energy: 1.6581379114100632
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Energy: 1.3121900088714957
Energy: 1.3308007965417383
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Energy: 1.3249343849880437
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Energy: 1.4168811752901465
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Energy: 1.3903046658726645
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Energy: 1.4277956365453195
Energy: 1.3298795708324511
Energy: 1.3534551212853838
Energy: 1.562903368102275
Energy: 1.3651434627594405
Energy: 1.3318258386621407
Energy: 1.3409345683119376
Energy: 1.350169396124723
Energy: 1.5669966945468699
Energy: 1.3424271842821816
Energy: 1.3206166777644588
Energy: 1.3296743507846596
Energy: 1.3978151606435472
Energy: 1.42018630856144
Energy: 1.3657474571712598
Energy: 1.3320875680428979
Energy: 1.3368486655658247
Energy: 1.3977834706496972
Energy: 1.4273207551673022
Energy: 1.3281643902360125
Energy: 1.317375913872144
Energy: 1.3239224189308787
Energy: 1.4811010803563833
Energy: 1.4224213108212425
Energy: 1.3726283134522708
Energy: 1.2910285398059467
Energy: 1.5020008056526193
Energy: 1.4828482409768926
Energy: 1.4350896790031442
Energy: 1.3581715777735337
Energy: 1.3017605228832112
Energy: 1.500886174306919
Energy: 1.4032647053618392
Energy: 1.398398744480233
Energy: 1.537036317625469
Energy: 1.3213731295810283
Energy: 1.4092709809676918
Energy: 1.4229431160685735
Energy: 1.4101614291561464
Energy: 1.5338985917582504
Energy: 1.3090449046444665
Energy: 1.4564382570944996
Energy: 1.3429348033980588
Energy: 1.4146555241350898
Energy: 1.5237470921243499
Energy: 1.4216100846080455
Energy: 1.358369944166212
Energy: 1.342635148214987
Energy: 1.4249256617817088
Energy: 1.3117964403910025
Energy: 1.4364549399443953
Energy: 1.3767780562498124
Energy: 1.3792553618965768
Energy: 1.4035032205123685
Energy: 1.5035279483505266
Energy: 1.4571736185633035
Energy: 1.4674640776596162
Energy: 1.3364230512450663
Energy: 1.39208148689043
Energy: 1.4935471856301255
Energy: 1.4560294762109083
Energy: 1.4148974837137813
Energy: 1.5058493841681817
Energy: 1.50831714196311
Energy: 1.4999807720422766
Energy: 1.5085925469364585
Energy: 1.3663814644317784
Energy: 1.4908391740021147
Energy: 1.491139732406865
Energy: 1.4908119822597623
Energy: 1.4918679931552243
Energy: 1.29046958244872
Energy: 1.4678508692628718
Energy: 1.4271172306365558
Energy: 1.5082669499553192
Energy: 1.5447040630776674
Energy: 1.4220789327255838
Energy: 1.4674386361024874
Energy: 1.4477672271350217
Energy: 1.5198370480734056
Energy: 1.5464219568141473
Energy: 1.918507305246378
Energy: 1.4462756659065337
Energy: 1.6022081465580413
Energy: 1.5951671952509503
Energy: 1.479364895743592
Energy: 1.370668101429837
Energy: 1.5218572122361418
Energy: 1.5986854201492318
Energy: 1.5969598934962121
Energy: 1.3213537230514225
Energy: 1.3168721783725308
Energy: 1.3332162177969187
Energy: 1.520773999182199
Energy: 1.3280915491027407
Energy: 1.3216018337479096
Energy: 1.3176878078426417
Energy: 1.3276299557437417
Energy: 1.545550474736777
Energy: 1.3266379735756053
Energy: 1.314611467229275
Energy: 1.317696576406823
Energy: 1.3722305675527706
Energy: 1.4279571122098924
Energy: 1.4668744651732808
Energy: 1.3155991079383953
Energy: 1.3171935829780177
Energy: 1.390682747939973
Energy: 1.4281730804531654
Energy: 1.3615385789843664
Energy: 1.314925423913971
Energy: 1.3181505214747722
Energy: 1.4263279555915602
Energy: 1.4213117206120995
Energy: 1.3378071259816333
Energy: 1.3525482621227454
Energy: 1.4298572994817977
Energy: 1.4081293675099669
Energy: 1.3829918608890803
Energy: 1.4058857643984823
Energy: 1.4135049848149477
Energy: 1.4589071384586896
Energy: 1.3147908159883968
Energy: 1.3094160004856168
Energy: 1.3992554941705602
Energy: 1.5738520203741826
Energy: 1.4185362465068518
Energy: 1.3347812399336683
Energy: 1.3360636293602632
Energy: 1.4222874611960385
Energy: 1.573303816336481
Energy: 1.417147772635032
Energy: 1.314865103210868
Energy: 1.3118674413901432
Energy: 1.3139515054227187
Energy: 1.392763599010543
Energy: 1.3620647838556024
Energy: 1.3347718196086296
Energy: 1.3351426767862105
Energy: 1.3343236812133108
Energy: 1.455006258929684
Energy: 1.3144077514464443
Energy: 1.3481158322738687
Energy: 1.3292610105092804
Energy: 1.4958459397147748
Energy: 1.4978338889560046
Energy: 1.3782559103099685
Energy: 1.3618200195486065
Energy: 1.3435961006507346
Energy: 1.49187288677028
Energy: 1.407493025320618
Energy: 1.3592066363976778
Energy: 1.3949520600051923
Energy: 1.4877552517917998
Energy: 1.398256572853888
Energy: 1.3457252367863881
Energy: 1.3150570260002858
Energy: 1.309574827676076
Energy: 1.3998593399919936
Energy: 1.3964385765591862
Energy: 1.4368320881028656
Energy: 1.3448261058263187

minimum gb energy = 1.2734054803439239 eV
minimum distance =  2.31144439193096 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.7354689522329605
Energy: 1.4275160369207924
Energy: 1.389122876745294
Energy: 1.5108907264147802
Energy: 1.358571589195002
Energy: 1.7354909825284162
Energy: 1.4265253164115081
Energy: 1.4462890254141856
Energy: 1.3666169849128005
Energy: 1.4570593674354408
Energy: 1.3924065758688124
Energy: 1.4430245265389905
Energy: 1.4582011790099563
Energy: 1.4715306360627343
Energy: 1.2695682952163247
Energy: 1.3925929234064731
Energy: 1.3212696178624632
Energy: 1.4616931188364979
Energy: 1.4076433660770558
Energy: 1.2699158564890058
Energy: 1.281942337825788
Energy: 1.4075296084044027
Energy: 1.312923636895758
Energy: 1.2709036624141337
Energy: 1.3568670811697776
Energy: 1.2816514440167335
Energy: 1.409128758161784
Energy: 1.3128606485698573
Energy: 1.2682450471406972
Energy: 1.3561344447913941
Energy: 1.2686299836348642
Energy: 1.2716303501679111
Energy: 1.4056237506956184
Energy: 1.3577368640797374
Energy: 1.356468481921458
Energy: 1.2703115485576326
Energy: 1.2695559527059774
Energy: 1.4028881428936761
Energy: 1.3644096109974089
Energy: 1.3567544116331733
Energy: 1.2987870980407428
Energy: 1.4137252930774733
Energy: 1.2730906421259165
Energy: 1.2713314107467641
Energy: 1.3644276309776673
Energy: 1.296286029449654
Energy: 1.4052765437060721
Energy: 1.2699423113317552
Energy: 1.2937746289752838
Energy: 1.3393431952263406
Energy: 1.2744556032202434
Energy: 1.2678163567443217
Energy: 1.3592951724067688
Energy: 1.2960070597189024
Energy: 1.7399520136417364
Energy: 1.2758996082501288
Energy: 1.2679722326695428
Energy: 1.3589524452886688
Energy: 1.2978365931791334
Energy: 1.7402728815775792
Energy: 1.4006603731574931
Energy: 1.3568111850174442
Energy: 1.3538339975596143
Energy: 1.2697816198758671
Energy: 1.4158358105217876
Energy: 1.3824973836395493
Energy: 1.355618023798381
Energy: 1.3552954924899254
Energy: 1.271922733867417
Energy: 1.4344984032694705
Energy: 1.4096725359965108
Energy: 1.357260373507089
Energy: 1.268195468289424
Energy: 1.2717243124168531
Energy: 1.4055296857324981
Energy: 1.4077351685093544
Energy: 1.3588103492899324
Energy: 1.2680290538332812
Energy: 1.269156134544094
Energy: 1.4053573043921241
Energy: 1.27987635602723
Energy: 1.596748305514673
Energy: 1.3252033558738456
Energy: 1.4041520642129475
Energy: 1.266571957969476
Energy: 1.28256102718139
Energy: 1.4064768869343973
Energy: 1.324426900097053
Energy: 1.6043224819946837
Energy: 1.265705979457675
Energy: 1.2688856907341362
Energy: 1.370542874531006
Energy: 1.2587078383543864
Energy: 1.361472514387476
Energy: 1.3317114438863342
Energy: 1.355617816322995
Energy: 1.3724731911805557
Energy: 1.26190972044985
Energy: 1.362928812830946
Energy: 1.3288783275274543
Energy: 1.2484067102848786
Energy: 1.2478345121913499
Energy: 1.2664309658367014
Energy: 1.3327802538062175
Energy: 1.250471092595046
Energy: 1.2484070173957666
Energy: 1.2479134642735297
Energy: 1.2659653490025202
Energy: 1.3335233806667417
Energy: 1.2667090129005083
Energy: 1.2487377271589286
Energy: 1.252075961447562
Energy: 1.2627071134380796
Energy: 1.4427603006913703
Energy: 1.2654827955559915
Energy: 1.2486961911652459
Energy: 1.2553399324087096
Energy: 1.26207611583821
Energy: 1.44367086461124
Energy: 1.2635739744341572
Energy: 1.2484778785658652
Energy: 1.2578224574407486
Energy: 1.6000411288525858
Energy: 1.600518404158554
Energy: 1.2623114298849976
Energy: 1.2484539738497042
Energy: 1.2589215759833732
Energy: 1.60158109940837
Energy: 1.3157008455100359
Energy: 1.256326183632251
Energy: 1.46543774942385
Energy: 1.2611485993074167
Energy: 1.3118565225715133
Energy: 1.3889339394295597
Energy: 1.2820115062464728
Energy: 1.4683536699757496
Energy: 1.2637618737186158
Energy: 1.3935142030016874
Energy: 1.3888561555072447
Energy: 1.2706851315027088

minimum gb energy = 1.2478345121913499 eV
minimum distance =  2.35561917902209 Angstroms
sigma value = 33