Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657340407371
cohesive_energy=4.290337440834254
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 2.4558483881278797e-19, 2.90855941783092e-19, 3.2776528490055e-19, 3.5962136291437197e-19, 4.79688479866332e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.85311829073892e-19, 6.82496804727954e-19, 6.78172529992788e-19, 6.7204901089764e-19, 6.63780177289566e-19, 6.52939850183922e-19, 6.39015333057828e-19, 6.213721639642199e-19, 5.992284807057059e-19, 5.716085577121799e-19, 5.37293138565168e-19, 4.94750542402566e-19, 4.4202451155426e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-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: 0.013185072278000289
Energy: 0.013547798181362794
Energy: 2.2460969841067633
Energy: 0.013547798181362794
Energy: 0.013547798181362794
Energy: 0.22661624983501577
Energy: 1.25421130636743
Energy: 0.22661624983501577
Energy: 2.2460969579968326
Energy: 1.2542113063771754
Energy: 1.5888943232319437
Energy: 1.254211306354714
Energy: 0.013547798181362794
Energy: 0.22661624983501577
Energy: 1.254211306382062
Energy: 0.22661624983404402

minimum gb energy = 0.013185072278000289 eV
minimum distance =  2.4374544419711 Angstroms
sigma value = 1


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

Energy: 2.2962396422403635
Energy: 1.1196639344362194
Energy: 1.8839796398442423
Energy: 1.1196631526628011
Energy: 1.9937394483134012
Energy: 0.9795166355625077
Energy: 1.002924438221461
Energy: 0.9795166355661443
Energy: 1.9989601300661484
Energy: 0.9278193459961797
Energy: 0.9170744356316725
Energy: 0.9278193459973919
Energy: 2.089532672295602
Energy: 1.0502406625009828
Energy: 1.0048141066902734
Energy: 1.050240662531288
Energy: 2.0901751343502952
Energy: 0.9318243610613195
Energy: 1.453806027237475
Energy: 0.931824359649709
Energy: 1.9856758576763385
Energy: 1.0937916768561735
Energy: 1.3030022169353934
Energy: 1.0937916768695077
Energy: 2.1086286644175565
Energy: 0.9461463465241995
Energy: 1.2207373595648519
Energy: 0.9460564156347098
Energy: 1.6418322578171365
Energy: 1.1719241170863104
Energy: 1.2575072069642772
Energy: 1.1719241170850982
Energy: 1.5632931641059953
Energy: 1.3019211675349327
Energy: 1.7600917314035034
Energy: 1.3019211675882696
Energy: 1.6277418268167045
Energy: 1.1538543055877808
Energy: 1.6418886916981386
Energy: 1.1538543055877808
Energy: 1.683662017651843
Energy: 1.1939498623419285
Energy: 1.519662492196645
Energy: 1.1939498623419285
Energy: 1.2478287648452382
Energy: 1.1693706896718767
Energy: 1.6244607258230177
Energy: 1.1693706896718767
Energy: 1.2607189121836988
Energy: 1.1071446055641792
Energy: 1.6336464147625525
Energy: 1.107144605593272
Energy: 1.256538792228201
Energy: 1.0902095752446845
Energy: 1.984628490764829
Energy: 1.0902095752458967
Energy: 1.2224910741485662
Energy: 0.9269877341854228
Energy: 1.722242883710363
Energy: 0.9269876098541037
Energy: 1.0214369978714113
Energy: 1.082648731700605
Energy: 1.9683308738573164
Energy: 1.0826487317018172
Energy: 0.916097394287267
Energy: 0.9232918079576478
Energy: 1.9842594307967067
Energy: 0.9232918079588599
Energy: 1.0372831692708127
Energy: 0.9592987447809899
Energy: 2.015649653073347
Energy: 0.9592976305412002
Energy: 0.9162690837196235
Energy: 0.9288519253371548
Energy: 1.84820318951021
Energy: 0.9288519312755174
Energy: 1.1323000048974123
Energy: 1.061470835267114
Energy: 1.9850891322082702
Energy: 1.0614709384573358
Energy: 1.0251105188482599
Energy: 1.006038293825595
Energy: 2.0217575999991206
Energy: 1.0060382938231704
Energy: 1.062029292140999
Energy: 1.0100153828557807
Energy: 1.8541138059951023
Energy: 1.010015382905481
Energy: 1.1983567312411363
Energy: 1.1017762875760393
Energy: 1.6719627054295159
Energy: 1.1017762869956143
Energy: 1.4486214671974675
Energy: 1.1627700477035294
Energy: 1.8550207403409433
Energy: 1.1627700477023173
Energy: 1.414996158885942
Energy: 1.1916217440727832
Energy: 1.8625608044084971
Energy: 1.1916217440727832
Energy: 1.4352618664178531
Energy: 1.184439853125281
Energy: 1.4318199503657043
Energy: 1.184439853125281
Energy: 1.4541511945232792
Energy: 1.3580154162911349
Energy: 1.5640457590285168
Energy: 1.3580154162887106
Energy: 1.8542119947324178
Energy: 1.008867370967142
Energy: 1.4462057690649275
Energy: 1.0088673417030163
Energy: 1.7441057067639054
Energy: 1.0203448229528176
Energy: 1.4240285389160714
Energy: 1.0203448236895063
Energy: 1.7273477367341923
Energy: 1.1211107010217376
Energy: 1.078599360892046
Energy: 1.1211107010205255
Energy: 1.9321559751317754
Energy: 1.0544839965344677
Energy: 1.0560556238123853
Energy: 1.0544839965344677
Energy: 1.9862763647582793
Energy: 0.9373868159932286
Energy: 1.1254490309246146
Energy: 0.9373868159968652
Energy: 1.968338059063149
Energy: 0.9240717023718061
Energy: 1.0915164770840498
Energy: 0.9240718255702666

minimum gb energy = 0.916097394287267 eV
minimum distance =  2.32932812665406 Angstroms
sigma value = 1


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

Energy: 2.694118814742891
Energy: 1.2263137481241935
Energy: 1.8654937651189472
Energy: 1.2263137480150372
Energy: 1.8664783700717684
Energy: 0.9675826450107773
Energy: 1.0781906923929814
Energy: 0.967582630803326
Energy: 1.893186914789458
Energy: 0.9641397170131701
Energy: 0.9494874454184372
Energy: 0.9641397170159345
Energy: 1.893228261368288
Energy: 1.1373986688502027
Energy: 1.0891371474051401
Energy: 1.1373986688502027
Energy: 2.1077600688902733
Energy: 0.9817530668252779
Energy: 1.1868178651988266
Energy: 0.9817530668280422
Energy: 1.8945107788980375
Energy: 1.019897467767617
Energy: 1.3008068732443998
Energy: 1.019897467766235
Energy: 1.703185698243084
Energy: 0.9627839154750971
Energy: 1.184440010649824
Energy: 0.9627839154239585
Energy: 1.6430316414529338
Energy: 1.12016400810515
Energy: 1.2571998198718273
Energy: 1.120164009174443
Energy: 1.6325564278307856
Energy: 1.1158460684106
Energy: 1.4666028414119257
Energy: 1.1158460684313318
Energy: 1.6555607151720473
Energy: 1.1138297194986626
Energy: 1.6404097256830197
Energy: 1.1138297194986626
Energy: 1.651811083508261
Energy: 1.1675781992742384
Energy: 1.387719731327166
Energy: 1.1675781992659457
Energy: 1.2312183102985446
Energy: 1.161096168567391
Energy: 1.4169058632061964
Energy: 1.1610961685687733
Energy: 1.336530916093587
Energy: 1.1112205341205577
Energy: 1.955484170156932
Energy: 1.1112205341205577
Energy: 1.277445532146567
Energy: 1.040190234189744
Energy: 1.8947070761169145
Energy: 1.040190234200801
Energy: 1.2844306674789217
Energy: 0.9728302089348801
Energy: 1.8675286994180402
Energy: 0.9728302066056554
Energy: 0.9505159073438383
Energy: 1.1353369931114805
Energy: 1.8666196080715185
Energy: 1.1353369931114805
Energy: 0.9496885931112414
Energy: 0.9656134377483524
Energy: 1.8924929987964108
Energy: 0.9656134377483524
Energy: 1.0669159424480592
Energy: 1.0088063926451458
Energy: 1.8932413585277015
Energy: 1.008806392690756
Energy: 0.950207049891613
Energy: 0.972673004169681
Energy: 1.7484650339350258
Energy: 0.9726730042097312
Energy: 1.3038069258722773
Energy: 1.1263235424410054
Energy: 1.8916634718922727
Energy: 1.1263235424216556
Energy: 1.1832377353135968
Energy: 0.9615560794290864
Energy: 1.8932034379209886
Energy: 0.9615560794235894
Energy: 1.2000804736055286
Energy: 1.168103169027264
Energy: 1.6389202657379216
Energy: 1.1681031690286463
Energy: 1.2469617194851232
Energy: 1.1143381028552761
Energy: 1.6330644524173934
Energy: 1.1143381028566586
Energy: 1.6540130244090967
Energy: 1.1135585924785165
Energy: 1.6416133405871705
Energy: 1.1135585924785165
Energy: 1.3876390571960884
Energy: 1.1776255895069534
Energy: 1.6547221977218667
Energy: 1.1776255895055712
Energy: 1.3872782731261677
Energy: 1.168449296632331
Energy: 1.2315223217944093
Energy: 1.1684492966986415
Energy: 1.6840919522603162
Energy: 1.3278084937549042
Energy: 1.2931225396028807
Energy: 1.3278084937549042
Energy: 1.9093506021253794
Energy: 0.964702291672908
Energy: 1.2369025877513251
Energy: 0.964702291841433
Energy: 1.867708909645511
Energy: 1.0408095771187234
Energy: 1.2753441491004536
Energy: 1.0408095771187234

minimum gb energy = 0.9494874454184372 eV
minimum distance =  2.32502367725859 Angstroms
sigma value = 25


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

Energy: 2.4353659024974124
Energy: 2.361910697176475
Energy: 2.3505671810526763
Energy: 2.361910697162015
Energy: 2.0429543197955082
Energy: 1.0884256331105913
Energy: 1.1195077001612967
Energy: 1.0884256331202313
Energy: 1.803563067815383
Energy: 1.0230904539105674
Energy: 1.0157945454703698
Energy: 1.0230904539137806
Energy: 1.9223119050449098
Energy: 1.039946881206136
Energy: 1.0163748099780394
Energy: 1.039946881206136
Energy: 1.6479687127019031
Energy: 1.0258875177188003
Energy: 1.3952094649357567
Energy: 1.0258875219184238
Energy: 1.9232691219595761
Energy: 1.1992673686506854
Energy: 1.4410999453097302
Energy: 1.1992673686571118
Energy: 1.7970847580964762
Energy: 1.2557151758388287
Energy: 1.418049209654901
Energy: 1.2557151758821727
Energy: 1.4391662410216381
Energy: 1.2521399299912286
Energy: 1.4648844667218683
Energy: 1.2521399299912286
Energy: 1.4184175332005442
Energy: 1.182912261742865
Energy: 1.4119900260943075
Energy: 1.1829122617701788
Energy: 1.449934068662112
Energy: 1.0447107876193238
Energy: 1.8010964048387768
Energy: 1.0447108014210549
Energy: 1.3885752178283803
Energy: 1.0357616510555467
Energy: 1.7730506876836245
Energy: 1.0357616642309624
Energy: 1.0408105101074645
Energy: 1.0706048409584226
Energy: 1.7724617207143998
Energy: 1.0706048385559146
Energy: 1.0335281436718098
Energy: 1.0235079924420905
Energy: 1.8164947832645877
Energy: 1.0235079924420905
Energy: 1.103539935163363
Energy: 1.044871596720082
Energy: 1.8096370808042836
Energy: 1.04487163567778
Energy: 1.0360396087775332
Energy: 1.0509260208146995
Energy: 1.7195937550686478
Energy: 1.050926020797026
Energy: 1.300021087973009
Energy: 1.1508002670666626
Energy: 1.7797309184067376
Energy: 1.1508002670538091
Energy: 1.2270258378867223
Energy: 1.0238108847833656
Energy: 1.851957418773693
Energy: 1.0238108848218894
Energy: 1.1655280265940742
Energy: 1.2118816059644866
Energy: 1.6539360803136893
Energy: 1.2118816059644866
Energy: 1.219598210623588
Energy: 1.1854013320200192
Energy: 1.6680813753010506
Energy: 1.1854013318979841
Energy: 1.6552472924688368
Energy: 1.2032711936520628
Energy: 1.6770410523193315
Energy: 1.2032711936889804
Energy: 1.5216751661611148
Energy: 1.2568093976491386
Energy: 1.6998312411702703
Energy: 1.256809397647532
Energy: 1.5278549907569516
Energy: 1.1964985826149226
Energy: 1.273468457532834
Energy: 1.1964985826149226
Energy: 1.6661555371202719
Energy: 1.1981402439655975
Energy: 1.2119557039183648
Energy: 1.198140243962384
Energy: 1.828915916772159
Energy: 1.0378616449153533
Energy: 1.2581240427330251
Energy: 1.0378616448671891
Energy: 1.7715661149605173
Energy: 1.0380422090387356
Energy: 1.1657229422530808
Energy: 1.0380428814132514

minimum gb energy = 1.0157945454703698 eV
minimum distance =  2.31841869105292 Angstroms
sigma value = 9


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

Energy: 2.136140949976568
Energy: 1.885507994943516
Energy: 1.8347640610476534
Energy: 1.8855079950103815
Energy: 1.6463831947997694
Energy: 1.158935386052686
Energy: 1.1377828392322813
Energy: 1.1589353858277616
Energy: 1.6918063756282304
Energy: 1.0513135036974532
Energy: 1.0451485054240495
Energy: 1.0513135036959287
Energy: 1.9713533984378822
Energy: 1.2152906431990138
Energy: 1.2264812899318838
Energy: 1.2152906431952024
Energy: 1.6113538644752614
Energy: 1.1549992252969448
Energy: 1.1725845926902103
Energy: 1.154999225296749
Energy: 1.6721934552245927
Energy: 1.2235844123306738
Energy: 1.4335114792353956
Energy: 1.223584412357703
Energy: 1.6777891354857288
Energy: 1.1955010045198513
Energy: 1.0293847089982773
Energy: 1.195501004524643
Energy: 1.4569601115577904
Energy: 1.1964705018889727
Energy: 1.4221013396549496
Energy: 1.1964705018895387
Energy: 1.3724474314684014
Energy: 1.0495723283775358
Energy: 1.7430117935512246
Energy: 1.0495723283503322
Energy: 1.4444775634727842
Energy: 1.2945304105491113
Energy: 1.7125656907904385
Energy: 1.2945304105410742
Energy: 1.374984170485954
Energy: 1.053027964922052
Energy: 1.6211139553806222
Energy: 1.0530279650274248
Energy: 1.1362110590781664
Energy: 1.1091203341832925
Energy: 1.659093302595906
Energy: 1.1091203341825302
Energy: 1.1007860099130355
Energy: 1.1152308776411002
Energy: 1.6763824259109001
Energy: 1.1152308776411002
Energy: 1.1244332806021786
Energy: 1.2248351914612796
Energy: 1.9894637029020952
Energy: 1.2248351914610833
Energy: 1.1343668254701733
Energy: 1.1539438895325744
Energy: 1.3645249330983427
Energy: 1.1539438895333367
Energy: 1.4892009855708075
Energy: 1.2480188789821633
Energy: 1.979575352076829
Energy: 1.24801887906397
Energy: 1.0294786373987417
Energy: 1.0523730629293584
Energy: 1.6780999182131537
Energy: 1.0523730629379835
Energy: 1.1501809232544202
Energy: 1.2596782052258473
Energy: 1.4482926376499854
Energy: 1.2596782052243227
Energy: 1.4268286891861859
Energy: 1.5362220617890698
Energy: 1.6295824741599292
Energy: 1.53622206178944
Energy: 1.698400891915835
Energy: 1.052943068436547
Energy: 1.4571273725082587
Energy: 1.0529430684329097
Energy: 1.621940099954172
Energy: 1.1038514438499223
Energy: 1.3321635569789558
Energy: 1.1038514438500966

minimum gb energy = 1.0293847089982773 eV
minimum distance =  2.32567750905783 Angstroms
sigma value = 25


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

Energy: 1.9001157926820853
Energy: 2.0978023135182364
Energy: 2.2537658887397423
Energy: 2.0978023135184785
Energy: 1.445501236538195
Energy: 1.2723553068293054
Energy: 1.2673630286351887
Energy: 1.2723553070806943
Energy: 1.517396381150712
Energy: 1.1584605061476327
Energy: 1.193946086696329
Energy: 1.1584605060483482
Energy: 1.4971503896778937
Energy: 1.2986518290460682
Energy: 1.218629705820333
Energy: 1.2986518290669165
Energy: 1.4148275733003253
Energy: 1.2388441740243914
Energy: 1.4595431841160758
Energy: 1.2388441740383709
Energy: 1.5399254504062365
Energy: 1.2578775943583884
Energy: 1.5311865740389212
Energy: 1.2578775943638292
Energy: 1.5311997043799204
Energy: 1.2523243062663203
Energy: 1.619913444701659
Energy: 1.2523246234515264
Energy: 1.2690189159012215
Energy: 1.2831568876929151
Energy: 1.518315867516117
Energy: 1.2831568876921875
Energy: 1.182502650729851
Energy: 1.1860381733814211
Energy: 1.522661013816198
Energy: 1.1860381973347518
Energy: 1.2896757491063855
Energy: 1.2660879735237853
Energy: 1.6274357417727685
Energy: 1.2660879735174018
Energy: 1.1838141913494595
Energy: 1.1705075117178372
Energy: 1.5473580903679756
Energy: 1.170507459705453
Energy: 1.478008888829847
Energy: 1.2775881120140087
Energy: 1.5769523822958318
Energy: 1.2775881120147088
Energy: 1.4112933017697542
Energy: 1.2720104372177232
Energy: 1.6365479122302167
Energy: 1.2720104372359586
Energy: 1.4024268900682313
Energy: 1.2570816629135804
Energy: 1.4990803228310352
Energy: 1.2570816629093244
Energy: 1.4080266781797124
Energy: 1.2275841659007174
Energy: 1.4188588349751543
Energy: 1.2275841659014446
Energy: 1.6469187730884027
Energy: 1.262660712499796
Energy: 1.5007109949589417
Energy: 1.262660712495998
Energy: 1.4450605699743997
Energy: 1.3756518978940275
Energy: 1.5270106531895544
Energy: 1.3756518978902295

minimum gb energy = 1.1584605060483482 eV
minimum distance =  2.31658231401914 Angstroms
sigma value = 17


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

Energy: 2.6044453319293357
Energy: 1.2767190438007
Energy: 2.086157507421608
Energy: 1.2767219042112945
Energy: 1.6879136355451505
Energy: 1.3890003654447096
Energy: 1.3531115820540203
Energy: 1.3890003653628513
Energy: 1.4500707313774504
Energy: 1.3187219072451388
Energy: 1.3433587497270327
Energy: 1.3187219072451388
Energy: 1.4479998611733074
Energy: 1.330589246756034
Energy: 1.306607001404666
Energy: 1.330589246756034
Energy: 1.4468772759644128
Energy: 1.36790770399455
Energy: 1.4527798988446692
Energy: 1.3679077039932075
Energy: 1.4606927419266627
Energy: 1.30450522526971
Energy: 1.5719934785403158
Energy: 1.30450522526971
Energy: 1.5312744279216814
Energy: 1.3615605679682363
Energy: 1.4436667846619244
Energy: 1.3615605680031397
Energy: 1.257208979100851
Energy: 1.3522344030565498
Energy: 1.5618625722827575
Energy: 1.3522344030552076
Energy: 1.245697845928759
Energy: 1.2816602512743906
Energy: 1.4517452422610333
Energy: 1.2816602512743906
Energy: 1.2238680048589676
Energy: 1.320109252924162
Energy: 1.528051194429321
Energy: 1.3201092529255043
Energy: 1.285175530929803
Energy: 1.286019070415442
Energy: 1.488428839738512
Energy: 1.2860190950892025
Energy: 1.4310848517851884
Energy: 1.3564524363247608
Energy: 1.5017654410708585
Energy: 1.3564524363247608
Energy: 1.4336669460790858
Energy: 1.295926832365825
Energy: 1.431197788571347
Energy: 1.2959268385892748
Energy: 1.5034737691309437
Energy: 1.3895234604567743
Energy: 1.3366003527211412
Energy: 1.3895234604554318
Energy: 1.5066529943538645
Energy: 1.2603609114621392
Energy: 1.2355416420675567
Energy: 1.2603609114607968
Energy: 1.4738898319816884
Energy: 1.2765134729388958
Energy: 1.2540677419208093
Energy: 1.2765134729388958
Energy: 1.5054266507787875
Energy: 1.2874516544562118
Energy: 1.3675982038393435
Energy: 1.2874516558946643
Energy: 1.499081810839489
Energy: 1.3120295823246928
Energy: 1.5053315957181053
Energy: 1.3120295823569113
Energy: 1.4596733352971356
Energy: 1.3202853994810764
Energy: 1.453254622210136
Energy: 1.3202853994810764
Energy: 1.3350375344399328
Energy: 1.6853596672993651
Energy: 1.5189044221580317
Energy: 1.6853596672993651
Energy: 1.2766513262287942
Energy: 1.3138802481154883
Energy: 1.453075679383994
Energy: 1.3138802481154883
Energy: 1.3119575849965297
Energy: 1.310228499452955
Energy: 1.5309790251430084
Energy: 1.3102284994516125
Energy: 1.3534562635052139
Energy: 1.3534623638583094
Energy: 1.5748507795103537
Energy: 1.353462364000547
Energy: 1.438251109437821
Energy: 1.24877410546029
Energy: 1.5045642385035947
Energy: 1.2534867603902782
Energy: 1.4561269526225697
Energy: 1.3040177834122706
Energy: 1.538380412271089
Energy: 1.3040177840778144
Energy: 1.4118559031744766
Energy: 1.2924354760084291
Energy: 1.4754508160659434
Energy: 1.2924354760097716
Energy: 1.463805396515703
Energy: 1.302935812428445
Energy: 1.4852482831782206
Energy: 1.302935812428445
Energy: 1.48265335407821
Energy: 1.3340823512083824
Energy: 1.3839535314784734
Energy: 1.3340823512083824
Energy: 1.5413442657255536
Energy: 1.3500494348941425
Energy: 1.4794805636200463
Energy: 1.3500494348632666
Energy: 1.5596304228109266
Energy: 1.3017891948364817
Energy: 1.5130635863292612
Energy: 1.3017891949250517

minimum gb energy = 1.2238680048589676 eV
minimum distance =  2.27975150881026 Angstroms
sigma value = 53


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

Energy: 1.189035449262714
Energy: 1.2062388859454085
Energy: 1.7876213000912422
Energy: 1.2062388859463218
Energy: 1.3625072229566442
Energy: 1.2217781276461896
Energy: 1.2657566646859029
Energy: 1.2217781276461896
Energy: 1.3926106791196875
Energy: 1.2107181611928095
Energy: 1.3616721005639663
Energy: 1.2107181611928095
Energy: 1.6294478360279088
Energy: 1.281559374943216
Energy: 1.3355041037125288
Energy: 1.281559374943848
Energy: 1.6861876295006875
Energy: 1.2507361534893444
Energy: 1.3564222313731549
Energy: 1.2507361535072556
Energy: 1.6292340557419158
Energy: 1.222361884070558
Energy: 1.3387157083716785
Energy: 1.2223618840696449
Energy: 1.38647028042109
Energy: 1.237531243478119
Energy: 1.1923296546477136
Energy: 1.2375312434855292
Energy: 1.3529690139104749
Energy: 1.22690063718444
Energy: 1.327551089705558
Energy: 1.2269006371834916
Energy: 1.3446446817473838
Energy: 1.22867073400574
Energy: 1.3851590393355944
Energy: 1.2286707340054237
Energy: 1.3794924088260585
Energy: 1.2153438120212363
Energy: 1.629080968766208
Energy: 1.2153438120221844
Energy: 1.3502719184594654
Energy: 1.2194233423778231
Energy: 1.9261384740429581
Energy: 1.2194233423660932
Energy: 1.3364020129886007
Energy: 1.2811572849169908
Energy: 1.629251274845172
Energy: 1.2811572849163937
Energy: 1.3474493840026167
Energy: 1.223563737643948
Energy: 1.3910936854172309
Energy: 1.2235637376470387

minimum gb energy = 1.189035449262714 eV
minimum distance =  2.30792898811157 Angstroms
sigma value = 9


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

Energy: 2.260892419950947
Energy: 1.4897870947125653
Energy: 1.8698944459813958
Energy: 1.489787093372592
Energy: 1.763988298331596
Energy: 1.4423142578959516
Energy: 1.4671064875224487
Energy: 1.4423142578993833
Energy: 1.5990119263168596
Energy: 1.3563078050487798
Energy: 1.4720164710160306
Energy: 1.3563078050533552
Energy: 1.482407106885072
Energy: 1.3594264976868888
Energy: 1.4420949015636872
Energy: 1.3594264976868888
Energy: 1.4387198643901082
Energy: 1.3835449442305732
Energy: 1.5425524278445348
Energy: 1.383544944231717
Energy: 1.466319894480537
Energy: 1.4133538141219093
Energy: 1.8088436079116084
Energy: 1.4133538141207656
Energy: 1.466758625221391
Energy: 1.488195521070416
Energy: 1.8430221242231104
Energy: 1.4881955210669842
Energy: 1.6759398289583136
Energy: 1.4852851559183702
Energy: 1.8386000328744458
Energy: 1.485285429390804
Energy: 1.6132310085490018
Energy: 1.361959022040891
Energy: 1.5357894311519875
Energy: 1.3619590220420348
Energy: 1.5483483835585392
Energy: 1.376451393353475
Energy: 1.4449636235667993
Energy: 1.3764513934449834
Energy: 1.6170894691557784
Energy: 1.3748169679934816
Energy: 1.3019961417112356
Energy: 1.374816967991194
Energy: 1.6418013331145218
Energy: 1.3933630804962265
Energy: 1.434981549937995
Energy: 1.3933630804950825
Energy: 1.8919552867008813
Energy: 1.385840033371754
Energy: 1.372753397440193
Energy: 1.385840033395775
Energy: 1.8450069985860322
Energy: 1.39845422814435
Energy: 1.606933152542472
Energy: 1.3984542269095592
Energy: 1.5468155519254188
Energy: 1.421182631041707
Energy: 1.5988463307769238
Energy: 1.4211826310428506
Energy: 1.6035744874209625
Energy: 1.3824413262628947
Energy: 1.657906044076563
Energy: 1.382441326354351
Energy: 1.2909080603186853
Energy: 1.3607124660594494
Energy: 1.7388796231453933
Energy: 1.3607124660605934
Energy: 1.488490931333298
Energy: 1.3743661857952314
Energy: 1.6870123280309617
Energy: 1.3743661857952314
Energy: 1.3128352432595218
Energy: 1.3827615297267344
Energy: 1.761618372517059
Energy: 1.3827615304104992
Energy: 1.5005816932581517
Energy: 1.408249531922141
Energy: 1.8445603849139667
Energy: 1.4082495343689487
Energy: 1.562112919815906
Energy: 1.443140071923662
Energy: 1.605186760993503
Energy: 1.4431400719213743
Energy: 1.9027843398788913
Energy: 1.4124569359473842
Energy: 1.5536164369273584
Energy: 1.4124569359473842
Energy: 1.8459690872299308
Energy: 1.4089540953638486
Energy: 1.3411343232763617
Energy: 1.4089540953627049
Energy: 1.7163125263334782
Energy: 1.3912197206314532
Energy: 1.313808003859338
Energy: 1.391219720632597
Energy: 1.7686031777349194
Energy: 1.3932055696790178
Energy: 1.2896431909735597
Energy: 1.3932055696801615
Energy: 1.597453700198915
Energy: 1.3917442538242717
Energy: 1.4588912304091404
Energy: 1.3917442538254154
Energy: 1.792564429337073
Energy: 1.373743893332423
Energy: 1.5807684695091404
Energy: 1.373743893333567
Energy: 1.5891033153912475
Energy: 1.4257113151742211
Energy: 1.6864033600416435
Energy: 1.4257113151936667
Energy: 1.4610190175580708
Energy: 1.4450749404608683
Energy: 1.9304854039078707
Energy: 1.4450749402904859
Energy: 1.365235936869118
Energy: 1.4283821270656605
Energy: 1.6866107582552154
Energy: 1.4283821270645165
Energy: 1.3299547248820063
Energy: 1.385876883303223
Energy: 1.654029826662361
Energy: 1.3858768833043666
Energy: 1.3560564246930307
Energy: 1.3650357149512233
Energy: 1.670445631270337
Energy: 1.3650357149512233
Energy: 1.5788888858185885
Energy: 1.3867817601556607
Energy: 1.6800355380157543
Energy: 1.386781760154517
Energy: 1.7315518107926877
Energy: 1.4172600672615228
Energy: 1.5775998582298765
Energy: 1.4172600672603788
Energy: 1.7836972027002058
Energy: 1.4863344882611638
Energy: 1.6038919691067588
Energy: 1.4863344876792017

minimum gb energy = 1.2896431909735597 eV
minimum distance =  2.33716092547607 Angstroms
sigma value = 73


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

Energy: 2.1496838059762453
Energy: 1.4300070646867682
Energy: 2.0356826061201807
Energy: 1.4300070646842316
Energy: 1.817164008674783
Energy: 1.403156367435597
Energy: 1.4750721814836947
Energy: 1.4031563674335965
Energy: 1.5892196495708792
Energy: 1.3502145745657752
Energy: 1.4691013240425572
Energy: 1.3502145745657752
Energy: 1.5325957479213257
Energy: 1.3534882691387617
Energy: 1.4794133036558783
Energy: 1.3534882691382255
Energy: 1.4546420775571138
Energy: 1.3908517932114786
Energy: 1.4860634003781126
Energy: 1.390851793211293
Energy: 1.4594854205630097
Energy: 1.4235440167832711
Energy: 1.614338748451994
Energy: 1.4235440167829205
Energy: 1.46157648190819
Energy: 1.4815326708470464
Energy: 2.007111392842781
Energy: 1.4815326708539343
Energy: 1.6264781551156893
Energy: 1.5049631123590836
Energy: 1.8486409476803116
Energy: 1.5049631123588978
Energy: 1.6691229028783732
Energy: 1.343030412218072
Energy: 1.69941283185913
Energy: 1.3430304122184433
Energy: 1.604557523078171
Energy: 1.3939960701538452
Energy: 1.383545992738351
Energy: 1.3939960701547525
Energy: 1.652958222278277
Energy: 1.2885852066952468
Energy: 1.2834577272151049
Energy: 1.288585206519828
Energy: 1.7079093231119733
Energy: 1.4471590855085357
Energy: 1.355435019817957
Energy: 1.4471590855079997
Energy: 1.6932248982229243
Energy: 1.3568115511839218
Energy: 1.312323916949207
Energy: 1.3568115511832002
Energy: 1.6780209169455118
Energy: 1.3445242867909777
Energy: 1.6567229712678089
Energy: 1.3445242867819038
Energy: 1.6451458577790228
Energy: 1.3897432284974878
Energy: 1.6444219752920437
Energy: 1.3897432283471052
Energy: 1.6791725897556178
Energy: 1.3770420307067643
Energy: 1.8679216785430444
Energy: 1.3770420307055062
Energy: 1.3136725371418339
Energy: 1.3475015641662147
Energy: 1.817190134986879
Energy: 1.3475015515203774
Energy: 1.4802627233244818
Energy: 1.418403535000763
Energy: 1.7426235055776957
Energy: 1.4184035349971338
Energy: 1.323594223747865
Energy: 1.3439904655668387
Energy: 1.6855319519823586
Energy: 1.3439904655684678
Energy: 1.3309531783343564
Energy: 1.419876230871625
Energy: 1.7634105599851468
Energy: 1.419876226559721
Energy: 1.7377341601281806
Energy: 1.3543405484572615
Energy: 1.6600780111168707
Energy: 1.3543405484568902
Energy: 1.8002796776823284
Energy: 1.5183050976042356
Energy: 1.6607727119460345
Energy: 1.5183050976053285

minimum gb energy = 1.2834577272151049 eV
minimum distance =  2.25725427562945 Angstroms
sigma value = 7


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

Energy: 2.8208667304151462
Energy: 1.6698772636093357
Energy: 1.8679063706964179
Energy: 1.6698772662298897
Energy: 1.767138996070111
Energy: 1.406717562687261
Energy: 1.4931566828603922
Energy: 1.4067175626898274
Energy: 1.5779487018742047
Energy: 1.375022921227786
Energy: 1.488395416410049
Energy: 1.375022921227786
Energy: 1.5263644916857884
Energy: 1.3742290759250537
Energy: 1.465277926108082
Energy: 1.3742290759250537
Energy: 1.5188876024821176
Energy: 1.388252095149989
Energy: 1.4936827855163808
Energy: 1.388252095149989
Energy: 1.479175231632439
Energy: 1.4351061543176384
Energy: 1.732398877666192
Energy: 1.4351061543176384
Energy: 1.4798916927363341
Energy: 1.5365404073383013
Energy: 1.829998205917779
Energy: 1.5365404064930055
Energy: 1.6056228946646922
Energy: 1.3893956773259726
Energy: 1.8870489804514163
Energy: 1.3893956773195562
Energy: 1.7448118453744645
Energy: 1.4258214250755041
Energy: 1.681987917715022
Energy: 1.4258214250767873
Energy: 1.86589098871048
Energy: 1.4496426990291564
Energy: 1.5626730782650065
Energy: 1.4496426990265898
Energy: 1.7424916927246787
Energy: 1.443221992601438
Energy: 1.3554974144798144
Energy: 1.443221992601438
Energy: 1.6695721927384495
Energy: 1.4460183692894728
Energy: 1.3704513329272419
Energy: 1.4460183692881896
Energy: 1.7953539618726952
Energy: 1.4280231788158328
Energy: 1.374402117725808
Energy: 1.428023178817116
Energy: 1.7868905129005284
Energy: 1.3789856850084463
Energy: 1.7176808854709635
Energy: 1.3789856850084463
Energy: 1.6687194884365981
Energy: 1.5571115396649378
Energy: 1.8328781672425518
Energy: 1.557111539666221
Energy: 1.6201989609517982
Energy: 1.3274273650055406
Energy: 1.8900615822716431
Energy: 1.3274273640486585
Energy: 1.4420133070383583
Energy: 1.3244963704304389
Energy: 1.8115953767244317
Energy: 1.3244963704278725
Energy: 1.440520135920417
Energy: 1.387271585894454
Energy: 1.7264856695751651
Energy: 1.387271585894454
Energy: 1.5768775398659454
Energy: 1.398039766790132
Energy: 1.5353436761282133
Energy: 1.3980397667914153
Energy: 1.508691771294268
Energy: 1.4616714239189723
Energy: 1.5687645726965098
Energy: 1.4616714239202555
Energy: 1.6118518430157638
Energy: 1.3960278082075572
Energy: 1.5217239567777576
Energy: 1.3960278082088406
Energy: 1.8996152571740252
Energy: 1.5510176759640342
Energy: 1.5621236511820904
Energy: 1.5510176759666008
Energy: 1.9400134065657906
Energy: 1.550097668225905
Energy: 1.6997053113004401
Energy: 1.5500976654822152
Energy: 1.5922978740987583
Energy: 1.4341963349055045
Energy: 1.7202929908925915
Energy: 1.4341963349067879
Energy: 1.5270379738274364
Energy: 1.4385053674454942
Energy: 1.6619426726181785
Energy: 1.4385053674454942
Energy: 1.354634302385804
Energy: 1.3888785907810148
Energy: 1.6898683475375584
Energy: 1.3888785907810148
Energy: 1.496331282802985
Energy: 1.490308175621543
Energy: 1.7271843192161433
Energy: 1.490308175621543
Energy: 1.3734832216143
Energy: 1.3613537818622317
Energy: 1.762403614582661
Energy: 1.3613537818609485
Energy: 1.619902087870905
Energy: 1.372015847743833
Energy: 1.8478433835235675
Energy: 1.3720158477489661
Energy: 1.7717792467002176
Energy: 1.3772356253399634
Energy: 1.7115822664522404
Energy: 1.377235625410514
Energy: 1.8372561738123139
Energy: 1.4813330638976943
Energy: 1.8218501775455564
Energy: 1.4813330639669617

minimum gb energy = 1.3244963704278725 eV
minimum distance =  2.26486297951766 Angstroms
sigma value = 29


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

Energy: 1.7798786240020272
Energy: 1.219060393789428
Energy: 1.6254574411905376
Energy: 1.2190603937876896
Energy: 1.560970573185958
Energy: 1.238865776902526
Energy: 1.4171562655489882
Energy: 1.2388657769029732
Energy: 1.5030774019590236
Energy: 1.2438615088885232
Energy: 1.462183785897462
Energy: 1.2438615088885232
Energy: 1.4091524796626145
Energy: 1.244496233772225
Energy: 1.155762028036676
Energy: 1.2444962337726717
Energy: 1.3707597384153665
Energy: 1.2389632203470826
Energy: 1.4384699771683136
Energy: 1.2389632203466603
Energy: 1.4162758521312289
Energy: 1.258307411395081
Energy: 1.4861250375525104
Energy: 1.2583074113955033
Energy: 1.4445005532251742
Energy: 1.4803267481205544
Energy: 1.3593098235245438
Energy: 1.4803267481078894
Energy: 1.4409995792535706
Energy: 1.2547173763297597
Energy: 1.9058957681684574
Energy: 1.2547173763284436
Energy: 1.5610357971232083
Energy: 1.2569770310097712
Energy: 1.4677661588207551
Energy: 1.256977031009324

minimum gb energy = 1.155762028036676 eV
minimum distance =  2.32164989417783 Angstroms
sigma value = 5


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

Energy: 1.7299900749826498
Energy: 1.8960736056325205
Energy: 1.9482582125495413
Energy: 1.896073605598579
Energy: 1.4773242778916613
Energy: 1.3918835006343584
Energy: 1.5644705776046413
Energy: 1.3918835008209824
Energy: 1.315870105765237
Energy: 1.28447525855754
Energy: 1.6177424190033123
Energy: 1.2844752585587522
Energy: 1.2489318194061267
Energy: 1.2892063141708432
Energy: 1.526119836314632
Energy: 1.2892063141720556
Energy: 1.26770372185988
Energy: 1.2758749927561124
Energy: 1.5230986901941397
Energy: 1.2758749921636205
Energy: 1.2962751830701054
Energy: 1.3013007315495184
Energy: 1.4725753162439348
Energy: 1.3013007315495184
Energy: 1.279673372376957
Energy: 1.2884549297232069
Energy: 1.46136822109608
Energy: 1.2884549297232069
Energy: 1.2848572021865325
Energy: 1.2861762315145833
Energy: 1.4826207470492438
Energy: 1.2861762315157956
Energy: 1.4781874810787006
Energy: 1.3846527616000701
Energy: 1.4282601864657036
Energy: 1.3846527616000701
Energy: 1.5919175554054303
Energy: 1.5009705624872691
Energy: 1.6209685884702145
Energy: 1.5009705624896936
Energy: 1.5437951537365522
Energy: 1.4156480396720625
Energy: 1.5491504400540987
Energy: 1.4156480396720625
Energy: 1.5196544018353957
Energy: 1.2944854988939556
Energy: 1.6817961141301636
Energy: 1.2944855007938634
Energy: 1.4600099863395883
Energy: 1.4616352203147371
Energy: 1.6301220874723703
Energy: 1.4616352203038825
Energy: 1.384144199290442
Energy: 1.3010665696435433
Energy: 1.5107556986023776
Energy: 1.3010665696156627
Energy: 1.460323763722775
Energy: 1.3018773312080352
Energy: 1.3121184615529207
Energy: 1.3018773312080352
Energy: 1.464663597083691
Energy: 1.2807895771189794
Energy: 1.3219312263906668
Energy: 1.2807895771189794
Energy: 1.4496607110032014
Energy: 1.36228716862506
Energy: 1.3128279240157086
Energy: 1.36228716862506
Energy: 1.584429354223532
Energy: 1.2778198130747473
Energy: 1.24845063418908
Energy: 1.2778198130747473
Energy: 1.5546824654138853
Energy: 1.3269033477185863
Energy: 1.2526640719369362
Energy: 1.3269033477137373
Energy: 1.6049869922204623
Energy: 1.2818341730461622
Energy: 1.252934980981372
Energy: 1.2818341730304035
Energy: 1.5219102826137327
Energy: 1.365037024583359
Energy: 1.7608591160126807
Energy: 1.365037024577298
Energy: 1.7048416790776248
Energy: 1.5384227782170081
Energy: 1.7819084645671663
Energy: 1.5384227782921647
Energy: 1.543951237937793
Energy: 1.3117652215653521
Energy: 1.2527412659756936
Energy: 1.3117652216392968
Energy: 1.6581129247842905
Energy: 1.3394317725172717
Energy: 1.359339290624944
Energy: 1.3394317725184839
Energy: 1.6903076938361652
Energy: 1.2566483218267919
Energy: 1.2932101414723287
Energy: 1.2566483218340652
Energy: 1.3659620666579095
Energy: 1.3040863802893006
Energy: 1.3765067567186549
Energy: 1.3040863802905127
Energy: 1.3440563378710235
Energy: 1.2937763048512838
Energy: 1.5099895480161234
Energy: 1.293776304850072
Energy: 1.3711358144666226
Energy: 1.2895220601108714
Energy: 1.3572017974717503
Energy: 1.2895220601108714
Energy: 1.366625701576309
Energy: 1.4075637501021518
Energy: 1.4944861763202162
Energy: 1.4075637501033642
Energy: 1.2929427135314862
Energy: 1.319258517825715
Energy: 1.604776150039422
Energy: 1.319258517825715
Energy: 1.4013278096499189
Energy: 1.338291437079552
Energy: 1.6054513184387211
Energy: 1.338291437079552
Energy: 1.251368012246038
Energy: 1.2879281425508406
Energy: 1.5481346527457902
Energy: 1.2879281206281477
Energy: 1.763178227582035
Energy: 1.6593475300561844
Energy: 1.7059396852293724
Energy: 1.659347529681779

minimum gb energy = 1.24845063418908 eV
minimum distance =  2.27807775364358 Angstroms
sigma value = 1


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

Energy: 2.501700080329377
Energy: 1.5307494531856212
Energy: 1.7137200251676272
Energy: 1.5307494531839452
Energy: 1.3868328887635921
Energy: 1.377149502159821
Energy: 1.4302449889243756
Energy: 1.3771495022067128
Energy: 1.2937291490750558
Energy: 1.2888105941148786
Energy: 1.4534959079943368
Energy: 1.2888105941115267
Energy: 1.2896288565405722
Energy: 1.3034391988873824
Energy: 1.3668218005761166
Energy: 1.3034391988873824
Energy: 1.375903517173508
Energy: 1.297984705457775
Energy: 1.4614716910056325
Energy: 1.2979847075770916
Energy: 1.348438518379984
Energy: 1.2990101916832337
Energy: 1.4931702654946686
Energy: 1.2990101916815577
Energy: 1.3026549922655548
Energy: 1.3001577140055764
Energy: 1.4741972658111364
Energy: 1.3001577140055764
Energy: 1.4038335590575104
Energy: 1.2976514752088422
Energy: 1.4986512201194435
Energy: 1.2976514752088422
Energy: 1.462778106366448
Energy: 1.2489690387240409
Energy: 1.4283139722038192
Energy: 1.2489690387273933
Energy: 2.0512779895125077
Energy: 1.6335304891950668
Energy: 2.0455548576557905
Energy: 1.6335304891950668
Energy: 1.5142329757926678
Energy: 1.2566675161844802
Energy: 1.4791281758368313
Energy: 1.2566675160437664
Energy: 1.2072563628022401
Energy: 1.1791439341873364
Energy: 1.628262959546703
Energy: 1.1791439341856602
Energy: 1.2035706439742029
Energy: 1.2187446461897047
Energy: 1.6336080370973263
Energy: 1.2187446461880287
Energy: 1.2061041740742073
Energy: 1.2463284015860987
Energy: 1.479091145957853
Energy: 1.2463284015860987
Energy: 1.3668305978471407
Energy: 1.3952879961210896
Energy: 1.4077022574679456
Energy: 1.3952879961210896
Energy: 1.366961813213289
Energy: 1.2190415452567642
Energy: 1.5212703416039497
Energy: 1.2190415452567642
Energy: 1.3894429092947327
Energy: 1.3288498915173765
Energy: 1.3713854913199022
Energy: 1.328849891519053
Energy: 1.4629776794542118
Energy: 1.2842559493619872
Energy: 1.3738067145151285
Energy: 1.2842559493619872
Energy: 1.8175165064696859
Energy: 1.3150598199480215
Energy: 1.3417434473939178
Energy: 1.3150598199480215
Energy: 1.4755020011065243
Energy: 1.3063502017022912
Energy: 1.4580451253792817
Energy: 1.3063502017358126
Energy: 1.3971619831074729
Energy: 1.2971854425274612
Energy: 1.5501660660449976
Energy: 1.2971854425291371
Energy: 1.414259499388587
Energy: 1.621586922798889
Energy: 1.5503634904362964
Energy: 1.621586922797213
Energy: 1.4150980279795666
Energy: 1.3467392400057563
Energy: 1.488618920426894
Energy: 1.346739235971566
Energy: 1.4591652398166304
Energy: 1.5359309407583204
Energy: 1.591786969198156
Energy: 1.5359309407549684

minimum gb energy = 1.1791439341856602 eV
minimum distance =  2.26800391705412 Angstroms
sigma value = 17


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

Energy: 2.244090669297889
Energy: 1.7319996928369936
Energy: 1.9036019386905345
Energy: 1.731999698897701
Energy: 1.2272147641686644
Energy: 1.48559924785769
Energy: 1.4624083454602204
Energy: 1.48559924787629
Energy: 1.2820124486206774
Energy: 1.2474576101048325
Energy: 1.555241269369519
Energy: 1.2474576100996528
Energy: 1.2252802777760843
Energy: 1.2491835949761152
Energy: 1.577608027869729
Energy: 1.2491835949750791
Energy: 1.2272989874146176
Energy: 1.3468936109342395
Energy: 1.4950287216032556
Energy: 1.3468936110160794
Energy: 1.3036699260984883
Energy: 1.2494791231165485
Energy: 1.3027039501664304
Energy: 1.2494791231144764
Energy: 1.3042674135039953
Energy: 1.2435477382335558
Energy: 1.302891931374215
Energy: 1.2435477382304478
Energy: 1.3446977222483114
Energy: 1.2624354251948744
Energy: 1.3530307476733492
Energy: 1.2624354251948744
Energy: 1.4896747979788294
Energy: 1.2399720388370437
Energy: 1.2242401865183923
Energy: 1.2399720388722189
Energy: 1.4966083305297693
Energy: 1.273111586464092
Energy: 1.2286143730436963
Energy: 1.2731115864630562
Energy: 1.470059139840419
Energy: 1.240623775493953
Energy: 1.2253533534428243
Energy: 1.2406237755084564
Energy: 1.4424337732917898
Energy: 1.2503836970351145
Energy: 1.7294667951237965
Energy: 1.2503836970371864
Energy: 1.5600014371126196
Energy: 1.493754879610138
Energy: 1.5208388026978292
Energy: 1.4937548796246412
Energy: 1.5200266199738155
Energy: 1.4189914535127475
Energy: 1.2263602535862659
Energy: 1.4189914535117116
Energy: 1.5622163103074196
Energy: 1.2468391640569119
Energy: 1.3332554907669771
Energy: 1.2468391640569119
Energy: 1.5551398517287438
Energy: 1.2303033805804406
Energy: 1.2528383692721445
Energy: 1.2303033805866566
Energy: 1.3027499218405445
Energy: 1.2581578742395254
Energy: 1.4264308515480844
Energy: 1.2581578742333097
Energy: 1.259167834613561
Energy: 1.248955237418054
Energy: 1.3881763199421084
Energy: 1.2489552374190898
Energy: 1.2605565292125842
Energy: 1.2425074295797018
Energy: 1.377662303251379
Energy: 1.2425074295797018
Energy: 1.3500888487371194
Energy: 1.3628511414154405
Energy: 1.461192141770846
Energy: 1.3628511414144047
Energy: 1.3079271494210307
Energy: 1.250952535431535
Energy: 1.496672838509029
Energy: 1.250952535432571
Energy: 1.2382009343050033
Energy: 1.2460803710432904
Energy: 1.5160048926153795
Energy: 1.2460803710432904
Energy: 1.2866731379101828
Energy: 1.2484094094773788
Energy: 1.336171266611991
Energy: 1.2484094094804867
Energy: 1.5823662947218382
Energy: 1.3200990680287286
Energy: 1.4295816842645286
Energy: 1.320099068024585
Energy: 1.5797234553326027
Energy: 1.2411445009752768
Energy: 1.343344686111196
Energy: 1.2411445009763127
Energy: 1.4324867154186267
Energy: 1.24935491027682
Energy: 1.4375346644161178
Energy: 1.249354910141158
Energy: 1.674491138398795
Energy: 1.4891292834051897
Energy: 1.5870887119175392
Energy: 1.4891292826782854
Energy: 1.3381034540625831
Energy: 1.2558545146234945
Energy: 1.3404918548136313
Energy: 1.255854514708395
Energy: 1.5094351449831824
Energy: 1.2396652282167604
Energy: 1.2386090571390738
Energy: 1.2396652282167604
Energy: 1.4411779049836375
Energy: 1.2629345237073348
Energy: 1.2371031800824053
Energy: 1.2629345237094067
Energy: 1.4790412154172985
Energy: 1.2527679895634782
Energy: 1.237543390219377
Energy: 1.2527679895655026
Energy: 1.4029208415715226
Energy: 1.2551585938901615
Energy: 1.259256683022723
Energy: 1.2551585938901615
Energy: 1.3887380362879502
Energy: 1.2535385186059673
Energy: 1.2621210234147104
Energy: 1.2535385186059673
Energy: 1.3902774610844622
Energy: 1.2523910643613783
Energy: 1.3110281863184614
Energy: 1.2523910643613783
Energy: 1.256502110504674
Energy: 1.2306440845370556
Energy: 1.4686017397612592
Energy: 1.2306440845339477
Energy: 1.4026566185175346
Energy: 1.3672126261607513
Energy: 1.5739607446088464
Energy: 1.3672126261617872
Energy: 1.2265834678876815
Energy: 1.2258918563155932
Energy: 1.4968014957869697
Energy: 1.2258918563145573
Energy: 1.8757968990010385
Energy: 1.255901768142237
Energy: 1.4815979046581653
Energy: 1.2559017680801277

minimum gb energy = 1.2242401865183923 eV
minimum distance =  2.28370823723936 Angstroms
sigma value = 89


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

Energy: 2.4019997690148998
Energy: 1.1927415610287468
Energy: 1.5322082508309587
Energy: 1.192741561029301
Energy: 1.4047690906378476
Energy: 1.1711834628887567
Energy: 1.1727900416753618
Energy: 1.171183462889034
Energy: 1.1758954181017718
Energy: 1.168346597812103
Energy: 1.3157552922457934
Energy: 1.1683465978118257
Energy: 1.1722163240010215
Energy: 1.1760850307477309
Energy: 1.3150413081000476
Energy: 1.1760850307477309
Energy: 1.1751766147351308
Energy: 1.1856207489966273
Energy: 1.3248282649865173
Energy: 1.1856207489958264
Energy: 1.2498874757038407
Energy: 1.1840460109576711
Energy: 1.2894586920944544
Energy: 1.1840460109573938
Energy: 1.2498084845587218
Energy: 1.1711688737292447
Energy: 1.495303727526495
Energy: 1.1711688737300459
Energy: 1.276603846590185
Energy: 1.1719490689765888
Energy: 1.2796769838578774
Energy: 1.1719490689773897
Energy: 1.3740874459763464
Energy: 1.1774380085206513
Energy: 1.1725987575115422
Energy: 1.1774380085204053
Energy: 1.3714793442952982
Energy: 1.177093718859492
Energy: 1.175330752228235
Energy: 1.1770937188806219
Energy: 1.4350647347516305
Energy: 1.1721451405176062
Energy: 1.1766628542779414
Energy: 1.1721451405176062
Energy: 1.1720484141745995
Energy: 1.167024363457883
Energy: 1.480707002766925
Energy: 1.1670243634584374
Energy: 1.3030367708480497
Energy: 1.188639277057843
Energy: 1.3712286561727163
Energy: 1.188639277057843
Energy: 1.1768850094919552
Energy: 1.2742362468133188
Energy: 1.1760703909317587
Energy: 1.2742362468144275
Energy: 1.404692348202627
Energy: 1.1776772909854196
Energy: 1.221403656535761
Energy: 1.177677290984865

minimum gb energy = 1.167024363457883 eV
minimum distance =  2.30796732620557 Angstroms
sigma value = 13


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

Energy: 1.9400815242534293
Energy: 1.1741808909173441
Energy: 1.4647257459312217
Energy: 1.1741808909173441
Energy: 1.143983015025866
Energy: 1.1472413504938028
Energy: 1.2509749193471198
Energy: 1.147241350494939
Energy: 1.1505925730215296
Energy: 1.1444086579266999
Energy: 1.3505203738525606
Energy: 1.1444086579278359
Energy: 1.149088009650238
Energy: 1.1687411879801364
Energy: 1.3437829130041747
Energy: 1.1687411879801364
Energy: 1.1596254350780963
Energy: 1.163499105079676
Energy: 1.2863588610895995
Energy: 1.1634991050751315
Energy: 1.2840793852023193
Energy: 1.1190064181251875
Energy: 1.1756900259132872
Energy: 1.1190064181251875
Energy: 1.2744951322387121
Energy: 1.1137238029285117
Energy: 1.3498994043186936
Energy: 1.1137238029273755
Energy: 1.2977832002433802
Energy: 1.1507878901140676
Energy: 1.188707193934249
Energy: 1.1507878901152038
Energy: 1.2790831172413564
Energy: 1.1290959883677691
Energy: 1.1785709684835846
Energy: 1.1290959883700413
Energy: 1.2788955090549543
Energy: 1.1199323990449985
Energy: 1.1740602963330073
Energy: 1.1199323990449985
Energy: 1.2974083740984055
Energy: 1.1185489112822404
Energy: 1.2305056674296375
Energy: 1.1185489112765599
Energy: 1.1509200750851991
Energy: 1.152347363348166
Energy: 1.3758915410624992
Energy: 1.1523473633413492
Energy: 1.151087880897575
Energy: 1.1529432681666139
Energy: 1.2546162553318487
Energy: 1.1529432681654779
Energy: 1.1579119280811052
Energy: 1.163892336536756
Energy: 1.476231402388008
Energy: 1.1638923365969178
Energy: 1.2559327184173312
Energy: 1.1509057771941145
Energy: 1.147986714452327
Energy: 1.150905777178209
Energy: 1.3275077918030638
Energy: 1.1455263889396534
Energy: 1.1523669230956324
Energy: 1.1455263889339733
Energy: 1.1512347201298536
Energy: 1.1466770065248233
Energy: 1.1520123982107338
Energy: 1.1466770065384566
Energy: 1.1521167618763755
Energy: 1.15224029675031
Energy: 1.3420620616044954
Energy: 1.152240296749174
Energy: 1.1549121283853658
Energy: 1.1490108663742826
Energy: 1.1407038863750574
Energy: 1.1490108663731464
Energy: 1.2503641113928845
Energy: 1.1443759570253496
Energy: 1.158091046134611
Energy: 1.1443759570264855
Energy: 1.388555074190337
Energy: 1.1520378951787524
Energy: 1.1492508387449996
Energy: 1.1520378951776162
Energy: 1.3392374823317483
Energy: 1.3035087529734064
Energy: 1.1510456994873883
Energy: 1.303508752979087
Energy: 1.1782336649579241
Energy: 1.1210257884609756
Energy: 1.2852360308068354
Energy: 1.1210257884598394
Energy: 1.1770989675403614
Energy: 1.1237233654617862
Energy: 1.20468671133386
Energy: 1.1237233654617862
Energy: 1.2158820983147989
Energy: 1.1257872868907164
Energy: 1.2592637274626826
Energy: 1.1257872868907164
Energy: 1.1748747814881506
Energy: 1.1296562400997954
Energy: 1.284828920882594
Energy: 1.1296562400997954
Energy: 1.1770982622327508
Energy: 1.1219942411182535
Energy: 1.4227382738647782
Energy: 1.1219942411182535
Energy: 1.2281830123124065
Energy: 1.1184143937837059
Energy: 1.2852963495253162
Energy: 1.1184143937837059
Energy: 1.2252584823544648
Energy: 1.146209582819691
Energy: 1.1494355800908158
Energy: 1.146209582796969
Energy: 1.2750743866627456
Energy: 1.173172043658027
Energy: 1.1514511766024882
Energy: 1.1731720436602993
Energy: 1.4216121292149067
Energy: 1.1457966257024874
Energy: 1.1575239804007156
Energy: 1.1457966257013512
Energy: 1.150147978494225
Energy: 1.145954889881521
Energy: 1.258109265831887
Energy: 1.1459548899110596
Energy: 1.1516620066736187
Energy: 1.158658800870203
Energy: 1.5105216937041124
Energy: 1.15865880083612
Energy: 1.1524600093612563
Energy: 1.1502114029949135
Energy: 1.1578981897485643
Energy: 1.1502114041759401
Energy: 1.1429385889981516
Energy: 1.1534433282576961
Energy: 1.1570419051143903
Energy: 1.1534433282576961

minimum gb energy = 1.1137238029273755 eV
minimum distance =  2.30446384987064 Angstroms
sigma value = 37


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

Energy: 2.0248402478133816
Energy: 1.1156494749962946
Energy: 1.440571669356166
Energy: 1.1156494749964723
Energy: 1.0920494753695889
Energy: 1.097902458864488
Energy: 1.2116453739405535
Energy: 1.097902458864288
Energy: 1.1042774120477648
Energy: 1.0939427559571275
Energy: 1.2900590426905738
Energy: 1.0939427559571275
Energy: 1.131351695885319
Energy: 1.0991461123953987
Energy: 1.2941250503939834
Energy: 1.0991461123951989
Energy: 1.2058088188743048
Energy: 1.1297704579554162
Energy: 1.1658998483727934
Energy: 1.1297704579605026
Energy: 1.23960959871906
Energy: 1.049716824720438
Energy: 1.1074100549192045
Energy: 1.049716824719838
Energy: 1.1829754264681385
Energy: 1.0537666348297432
Energy: 1.2350636421999783
Energy: 1.0537666348295434
Energy: 1.2089879554240452
Energy: 1.0500973478938815
Energy: 1.1808916227718282
Energy: 1.0500973478940814
Energy: 1.1535297772858575
Energy: 1.043416719232096
Energy: 1.1521086124698272
Energy: 1.0434167192314963
Energy: 1.1519736049973566
Energy: 1.0365580907724083
Energy: 1.1522514839784748
Energy: 1.0365580907722085
Energy: 1.1684555959390437
Energy: 1.1848251110157428
Energy: 1.2103607118932578
Energy: 1.184825111015143
Energy: 1.107854067630759
Energy: 1.0552920806256396
Energy: 1.241297574128552
Energy: 1.055292080626017
Energy: 1.1061485324354619
Energy: 1.0559906371440204
Energy: 1.2409277924161168
Energy: 1.0559906371442203
Energy: 1.1653797398927763
Energy: 1.0597131409970186
Energy: 1.2304439996941037
Energy: 1.0597131409979959
Energy: 1.2368803697473878
Energy: 1.0972178501904883
Energy: 1.1279631765736526
Energy: 1.0972178501902883
Energy: 1.2117245124565474
Energy: 1.0966230340248342
Energy: 1.1042311859073526
Energy: 1.0966230340232792
Energy: 1.2091719480804743
Energy: 1.1164317959794234
Energy: 1.1085890476930207
Energy: 1.1164317959270706
Energy: 1.1047709633776348
Energy: 1.0975951911842259
Energy: 1.2020910172623631
Energy: 1.0975951984836387
Energy: 1.1077595366809958
Energy: 1.0927471807778346
Energy: 1.2034850977607223
Energy: 1.0927471807782347
Energy: 1.10394023544624
Energy: 1.0959812171948389
Energy: 1.1043597919135952
Energy: 1.0959812171958163

minimum gb energy = 1.0365580907722085 eV
minimum distance =  2.30840066928443 Angstroms
sigma value = 25


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

Energy: 1.3108083743614072
Energy: 1.0321311244935711
Energy: 1.2937227559985223
Energy: 1.032131124481361
Energy: 1.0205445105206545
Energy: 1.0184351365214965
Energy: 1.1456173641880527
Energy: 1.0184351362636557
Energy: 1.0286041244481836
Energy: 1.0180486440560643
Energy: 1.1852655955992857
Energy: 1.018048644054538
Energy: 1.0412424916430447
Energy: 1.0149266676131565
Energy: 1.139640359415338
Energy: 1.0149266676131565
Energy: 1.149653189467989
Energy: 1.0239985970683583
Energy: 1.0831383606506504
Energy: 1.0239985970698848
Energy: 1.1458498203862735
Energy: 0.9733434663813115
Energy: 1.0312747200540526
Energy: 0.9733434663813115
Energy: 1.1474445011263106
Energy: 0.9718939759341446
Energy: 1.1000225956998126
Energy: 0.9718939759341446
Energy: 1.119668647178094
Energy: 0.9831953314668892
Energy: 1.1066473830501313
Energy: 0.9831953314668892
Energy: 1.0468619466619151
Energy: 0.9456726773051332
Energy: 1.1192436562949029
Energy: 0.9456726773051332
Energy: 1.048076587395105
Energy: 0.9460697023221728
Energy: 1.1528471568502998
Energy: 0.9460697023221728
Energy: 1.1614485647816715
Energy: 1.0522270088435721
Energy: 1.0984648484100563
Energy: 1.0522270088435721
Energy: 1.076226511183013
Energy: 0.9352170074952371
Energy: 1.0743857153472884
Energy: 0.9352170074952371
Energy: 1.0744797258884597
Energy: 0.9367059547292418
Energy: 1.0742971658246732
Energy: 0.9367059547277155
Energy: 1.100409894899528
Energy: 0.9581463336737643
Energy: 1.0485704373726472
Energy: 0.9581463336752906
Energy: 1.1183509849552806
Energy: 0.9461312520245929
Energy: 1.210429176079681
Energy: 0.9461312520245929
Energy: 1.1182669320468364
Energy: 0.9471617705565231
Energy: 1.0474491434018323
Energy: 0.9471617705565231
Energy: 1.095019387623675
Energy: 0.98958368782983
Energy: 1.1196329345970817
Energy: 0.9895836993589862
Energy: 1.0484936459637626
Energy: 0.9717837770113567
Energy: 1.126666637705353
Energy: 0.9717837770113567
Energy: 1.0313811206724264
Energy: 0.9744154144513626
Energy: 1.1917951451977655
Energy: 0.9744154144498363
Energy: 1.1543625177646377
Energy: 1.0255970156248833
Energy: 1.1329160739552888
Energy: 1.025597015568445
Energy: 1.260442261235474
Energy: 1.018044108778022
Energy: 1.0282982047814802
Energy: 1.018044108778022
Energy: 1.0833643079200341
Energy: 1.0208372230114573
Energy: 1.0282399301282468
Energy: 1.02083722301451
Energy: 1.0840156739214426
Energy: 1.017908175846166
Energy: 1.3749589813450547
Energy: 1.0179081759529727
Energy: 1.0315306846829044
Energy: 1.0226718456860042
Energy: 1.1836064015769037
Energy: 1.0226718456860042
Energy: 1.0282975253039859
Energy: 1.1266188579679581
Energy: 1.029492600223327
Energy: 1.126618858016765
Energy: 1.1813180061694872
Energy: 1.0174197039909374
Energy: 1.028332645484007
Energy: 1.0174197039909374

minimum gb energy = 0.9352170074952371 eV
minimum distance =  2.31360930239396 Angstroms
sigma value = 41


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

Energy: 1.2438913196380543
Energy: 0.9656206148559474
Energy: 1.1724266187049888
Energy: 0.9656206148559474
Energy: 0.9533600859308142
Energy: 0.951523503211574
Energy: 1.005683652142142
Energy: 0.9515235032103226
Energy: 0.9578844508578684
Energy: 1.0833150942353322
Energy: 1.0512325003832785
Energy: 1.0833150942365835
Energy: 0.9598844735000667
Energy: 0.9461973895123553
Energy: 1.1123562824118587
Energy: 0.9461973895123553
Energy: 1.088789921387013
Energy: 0.9749039926295029
Energy: 1.0066857731359828
Energy: 0.9749039922943207
Energy: 1.093579313348885
Energy: 0.9095453052963828
Energy: 0.9618527473081014
Energy: 0.9095453052951313
Energy: 1.0936846024707172
Energy: 0.9074350078068507
Energy: 0.9631521829298257
Energy: 0.9074350078068507
Energy: 1.0392695947768653
Energy: 1.0474193029956858
Energy: 1.0601334371680409
Energy: 1.0474193029944343
Energy: 0.9753445190641309
Energy: 0.8794430930336141
Energy: 1.0445863599346719
Energy: 0.8794430930323629
Energy: 0.9766155747111175
Energy: 0.8818956320131887
Energy: 1.0498848561255079
Energy: 0.8818956320119373
Energy: 1.0215386533331459
Energy: 0.8747384483090803
Energy: 1.0245080430736728
Energy: 0.8747384483103317
Energy: 1.0377719464439503
Energy: 0.8633658159765312
Energy: 0.9919404995880043
Energy: 0.8633658159765312
Energy: 1.06514397907158
Energy: 0.866244070680705
Energy: 0.9932526513504903
Energy: 0.866244070680705
Energy: 1.0134854766560675
Energy: 0.860831398242909
Energy: 1.0309435105510023
Energy: 0.8608313982541708
Energy: 1.0079676960815034
Energy: 0.8550729392334897
Energy: 1.0086347134151457
Energy: 0.8550729392334897
Energy: 1.0028441324683588
Energy: 0.8579386549134068
Energy: 1.0446916188386342
Energy: 0.8579386549134068
Energy: 0.9961135796292911
Energy: 0.872846631745672
Energy: 1.0133703918513302
Energy: 0.872846631745672
Energy: 1.113480752866492
Energy: 0.8640812434763643
Energy: 1.0311581616161138
Energy: 0.8640812434776156
Energy: 1.0005173295431142
Energy: 0.8629532762961931
Energy: 1.0257434188050176
Energy: 0.8629532762961931
Energy: 1.0200616856024238
Energy: 0.8801533611522971
Energy: 0.9880323837781904
Energy: 0.8801533611522971
Energy: 1.07403019343704
Energy: 0.8803079477225895
Energy: 0.9768724963686972
Energy: 0.8803079477238408
Energy: 1.0638333533787383
Energy: 0.8819526312357544
Energy: 0.9995441215531917
Energy: 0.8819526312357544
Energy: 1.0014641085525982
Energy: 0.9104921479396303
Energy: 1.0390773998177691
Energy: 0.9104921479396303
Energy: 0.9833715755874893
Energy: 0.9116025921911639
Energy: 1.0697830506091868
Energy: 0.9116025921911639
Energy: 1.006634185190369
Energy: 0.9169682900861238
Energy: 1.0770754339395425
Energy: 0.916968290094883
Energy: 1.0377954281315396
Energy: 1.0537269545671748
Energy: 0.9598172739935387
Energy: 1.0537269545659234
Energy: 1.0347203475198166
Energy: 0.9456264903364643
Energy: 0.9579410435468326
Energy: 0.9456264903364643
Energy: 1.260276947627197
Energy: 0.9781699478583622
Energy: 0.9580710277704931
Energy: 0.978169932949268
Energy: 1.0600279005869493
Energy: 0.9508691512653553
Energy: 1.1234082627051527
Energy: 0.9508691512666066
Energy: 0.9578113201881256
Energy: 0.9470061046317398
Energy: 1.0368834527810045
Energy: 0.9470061046317398
Energy: 0.9583829795077009
Energy: 1.0482138841167463
Energy: 0.9577706990778652
Energy: 1.0482136686869223
Energy: 1.1610007504364146
Energy: 0.9558542742717356
Energy: 0.9612934264195333
Energy: 0.9558542742717356

minimum gb energy = 0.8550729392334897 eV
minimum distance =  2.32028466396555 Angstroms
sigma value = 15


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

Energy: 1.1106531818238805
Energy: 0.9033756039244687
Energy: 1.0785214093339344
Energy: 0.9033756039276488
Energy: 0.8933672026337883
Energy: 0.8566270574721957
Energy: 0.900785111277598
Energy: 0.8566270574796161
Energy: 0.8973675749980236
Energy: 0.978903689994101
Energy: 0.981987907554971
Energy: 0.9789036899962211
Energy: 0.9350420670512005
Energy: 0.8881045409310441
Energy: 1.0464346095316677
Energy: 0.8881045409278641
Energy: 1.0066411274351428
Energy: 0.9449285833092668
Energy: 0.9406790967660985
Energy: 0.944928583311387
Energy: 1.0996269581401772
Energy: 0.856637571425468
Energy: 0.907842382843791
Energy: 0.8566375714244081
Energy: 1.0029430156921628
Energy: 0.8558274973042497
Energy: 0.9513503656144484
Energy: 0.8558274973031897
Energy: 0.9697104097504923
Energy: 0.9381780371811264
Energy: 0.9468799223170622
Energy: 0.9381780310843978
Energy: 0.9132927318333677
Energy: 0.8263444908191656
Energy: 1.0040772047590587
Energy: 0.8263444908191656
Energy: 0.912026305721968
Energy: 0.8303327861982884
Energy: 1.004879670795191
Energy: 0.8303327861993485
Energy: 0.9317958596795625
Energy: 0.8072615077946685
Energy: 0.9529514159808549
Energy: 0.8072615077946685
Energy: 1.0038162086438804
Energy: 0.8065683557596353
Energy: 0.9244390154513143
Energy: 0.8065683557628154
Energy: 1.0431019578255674
Energy: 0.8098086138404327
Energy: 0.9282644457599751
Energy: 0.8098086138414927
Energy: 0.947748902381679
Energy: 0.8092684535652221
Energy: 0.9663360859871998
Energy: 0.8092684535652221
Energy: 0.9427116398589477
Energy: 0.7975437531418875
Energy: 0.9653110691157862
Energy: 0.7975437531408274
Energy: 0.9371610126479986
Energy: 0.8017658605979449
Energy: 0.9912887932812297
Energy: 0.8017658605979449
Energy: 0.9223577787892674
Energy: 0.7992517032309161
Energy: 0.9477701595760736
Energy: 0.7992517032319763
Energy: 0.9498815053841956
Energy: 0.7936158131357373
Energy: 0.9476931301766088
Energy: 0.7936158131367973
Energy: 0.948313993497863
Energy: 0.7977111953046276
Energy: 0.9399517118002019
Energy: 0.7977111953046276
Energy: 0.9453598915824805
Energy: 0.8024243208764377
Energy: 0.9514218813929282
Energy: 0.8024243208764377
Energy: 0.96834581595869
Energy: 0.7979820438473024
Energy: 0.9441689640861122
Energy: 0.7979820438473024
Energy: 0.9483183493423155
Energy: 0.7984608643368123
Energy: 0.9471033890904311
Energy: 0.7984608643378724
Energy: 0.9286708011606628
Energy: 0.8076915358919486
Energy: 0.9464799275980392
Energy: 0.8076915358919486
Energy: 0.9253453381890258
Energy: 0.8096697355221707
Energy: 0.9863711975246464
Energy: 0.8096697355211107
Energy: 0.9587736167825284
Energy: 0.8076126573760932
Energy: 0.9238555609627139
Energy: 0.8076126573739731
Energy: 0.952729546150419
Energy: 0.831482885162667
Energy: 0.9247240977942762
Energy: 0.831482885162667
Energy: 1.0156296477758007
Energy: 0.8270376830140398
Energy: 0.912478829309
Energy: 0.8270376830140398
Energy: 0.9868946375718691
Energy: 0.8320933030689402
Energy: 0.9345260922780941
Energy: 0.8320932852416549
Energy: 0.9362018319185268
Energy: 0.8546586641093649
Energy: 1.0245486556704628
Energy: 0.8546586641083049
Energy: 0.9064376422305424
Energy: 0.8562447015883348
Energy: 1.0412290240990079
Energy: 0.8562447015893948
Energy: 0.9420416303158217
Energy: 0.9678568135057688
Energy: 0.933978546128719
Energy: 0.9678568133902725
Energy: 1.0263541892809607
Energy: 0.887030493948612
Energy: 0.8980430477816689
Energy: 0.8870304939539122
Energy: 1.0382556897347328
Energy: 0.8938660791892956
Energy: 0.8975136637234765
Energy: 0.8938660791914157
Energy: 0.9402345536225856
Energy: 0.8583696092935539
Energy: 0.9010666466880367
Energy: 0.8583696092861335
Energy: 0.8980960494914081
Energy: 0.9009230209632372
Energy: 1.282437475620583
Energy: 0.9008566423870151
Energy: 1.1152923446723217
Energy: 0.9783303655001677
Energy: 0.9420783532655151
Energy: 0.9783303655022879
Energy: 0.9041871124888369
Energy: 0.8894030673720675
Energy: 0.926021481821554
Energy: 0.8894030670531399

minimum gb energy = 0.7936158131357373 eV
minimum distance =  2.32024124079583 Angstroms
sigma value = 85


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

Energy: 1.0119991054533084
Energy: 0.7766024315174435
Energy: 0.9540866277686558
Energy: 0.7766024315395086
Energy: 0.7810080478113998
Energy: 0.7564070913540945
Energy: 0.8002485194078767
Energy: 0.756407091353175
Energy: 0.7897352191006011
Energy: 0.7588597946430813
Energy: 0.8430749317592683
Energy: 0.7588589926448357
Energy: 0.7905939517509848
Energy: 0.7782181836096775
Energy: 0.9091880223583275
Energy: 0.7782181836078388
Energy: 0.8649167935101838
Energy: 0.8337565210652506
Energy: 0.8300774663752896
Energy: 0.8337565210698473
Energy: 0.9048113722048413
Energy: 0.7554559667275267
Energy: 0.8001776380965243
Energy: 0.7554559667284462
Energy: 0.8518811933037056
Energy: 0.755029793419895
Energy: 0.8564544267558738
Energy: 0.755029793419895
Energy: 0.8332675561701743
Energy: 1.0109896587676022
Energy: 0.850781696576443
Energy: 1.010989658769441
Energy: 0.820525751901444
Energy: 0.7390037937599849
Energy: 0.9121229846596012
Energy: 0.7390037937609043
Energy: 0.8410581939475308
Energy: 0.7401407685227608
Energy: 0.9105271104779398
Energy: 0.7401407685227608
Energy: 0.8419571211156948
Energy: 0.7307934599855533
Energy: 0.8549819225729047
Energy: 0.7307934599855533
Energy: 0.8995775432420904
Energy: 0.7277387608439855
Energy: 0.8362840819225131
Energy: 0.7277387608430662
Energy: 0.8580575545079654
Energy: 0.730762118701741
Energy: 0.8437410526346356
Energy: 0.7307621187026605
Energy: 0.8593386512910648
Energy: 0.7243108746734434
Energy: 0.8357565992065884
Energy: 0.7243108746642496
Energy: 0.8560171132055105
Energy: 0.7230897819783733
Energy: 0.8924820795709699
Energy: 0.7230897819783733
Energy: 0.8725938078406912
Energy: 0.7248824579467393
Energy: 0.8643453249368589
Energy: 0.7248824579467393
Energy: 0.8863986122935134
Energy: 0.7228135141069962
Energy: 0.8648799676705052
Energy: 0.7228135141060766
Energy: 0.8928867564379481
Energy: 0.7224338161222146
Energy: 0.8720809350740835
Energy: 0.7224338161212952
Energy: 0.8694416393595782
Energy: 0.7215180887815992
Energy: 0.8756230086487573
Energy: 0.7215180887834378
Energy: 0.8935267398471116
Energy: 0.7209311495745182
Energy: 0.8876245939986006
Energy: 0.7209311495745182
Energy: 0.8843938498246531
Energy: 0.7219458680753132
Energy: 0.8841400163951385
Energy: 0.7219458680743939
Energy: 0.860805283138837
Energy: 0.7224024168883363
Energy: 0.8703341001050761
Energy: 0.722402416881002
Energy: 0.8779311652048185
Energy: 0.7229847794910397
Energy: 0.9235478238632758
Energy: 0.7229847794910397
Energy: 0.8705598693492347
Energy: 0.72739441422894
Energy: 0.8924969238040347
Energy: 0.7273944142298594
Energy: 0.8656715272597953
Energy: 0.7223832486285181
Energy: 0.8728244810850727
Energy: 0.7223832485945013
Energy: 0.9405865627911335
Energy: 0.7240285638238495
Energy: 0.8609968357428619
Energy: 0.7240285638247688
Energy: 0.9012999939262476
Energy: 0.7236877366637083
Energy: 0.8556507989609473
Energy: 0.723687736662789
Energy: 0.8355918541187041
Energy: 0.7275228723098649
Energy: 0.8582242188688346
Energy: 0.7275228723153603
Energy: 0.8415926480245857
Energy: 0.729621973310211
Energy: 0.9084429308220734
Energy: 0.729621973310211
Energy: 0.8380766866479413
Energy: 0.7287829763874167
Energy: 0.9127576256177765
Energy: 0.7287829763874167
Energy: 0.8547332937396048
Energy: 0.8112900492003359
Energy: 0.8412652306748463
Energy: 0.8112900498720858
Energy: 0.9066623178278266
Energy: 0.737610631153612
Energy: 0.8345632504156981
Energy: 0.737610631153612
Energy: 0.9235676472272473
Energy: 0.7396623358578586
Energy: 0.8178798743346726
Energy: 0.739662334317675
Energy: 0.8791454469261258
Energy: 0.8392746812460319
Energy: 0.8606904861874595
Energy: 0.8392746812460319
Energy: 0.8331786894429654
Energy: 0.754937371122378
Energy: 0.8992934931274349
Energy: 0.7549373711232974
Energy: 0.8004433149027002
Energy: 0.7552915376062944
Energy: 0.8606768554022085
Energy: 0.7552915376219238
Energy: 0.8522645861121052
Energy: 0.8383500834187434
Energy: 0.8651892006048238
Energy: 0.8383500834187434
Energy: 0.9145445069066935
Energy: 0.7825145856069541
Energy: 0.8033374746683909
Energy: 0.7825145856087927
Energy: 0.8313727495052291
Energy: 0.7887923046010278
Energy: 0.7899457539930761
Energy: 0.7887923135738386
Energy: 0.8002354199721936
Energy: 0.7543746815773548
Energy: 0.818174913157128
Energy: 0.7543746815773548
Energy: 0.7896575192928226
Energy: 0.7798246009985828
Energy: 0.8283227939254709
Energy: 0.7798246009893889
Energy: 0.7899604787737935
Energy: 0.7882874915191393
Energy: 0.7903246588237521
Energy: 0.7882874918416939
Energy: 0.8431501358361789
Energy: 0.7819116821190241
Energy: 0.7898498888972508
Energy: 0.7819116822770731

minimum gb energy = 0.7209311495745182 eV
minimum distance =  2.31684516907835 Angstroms
sigma value = 113


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

Energy: 0.014917206428435106
Energy: 0.01527568668721354
Energy: 1.0132027214335033
Energy: 0.01527568668721354
Energy: 0.015476403252693074
Energy: 0.10942581194162118
Energy: 0.0953922819229787
Energy: 0.10942581194162118
Energy: 0.09537383487911918
Energy: 0.10948972542220033
Energy: 0.015538844667432541
Energy: 0.10948972542220033
Energy: 0.09528461549323738
Energy: 0.11025921744700064
Energy: 0.016559071443623605
Energy: 0.11025921744629388
Energy: 0.09677879228837874
Energy: 0.10921690370442791
Energy: 0.0963428799702051
Energy: 0.10921690370442791
Energy: 0.015362919244682938
Energy: 0.10943739505662846
Energy: 0.09524990707750673
Energy: 0.10943739505662846

minimum gb energy = 0.014917206428435106 eV
minimum distance =  2.45359628670614 Angstroms
sigma value = 1