Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.592786550521851
cohesive_energy=3.511869165642938
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.592944892234892e-19, 2.26055907820962e-19, 2.7716854679883e-19, 3.19656668955876e-19, 3.54526441218252e-19, 3.8421958077617396e-19, 4.0982877209402994e-19, 4.3207659683375397e-19, 4.51483762401396e-19, 4.68442802072286e-19, 4.83274151173224e-19, 4.96261394968428e-19, 5.077938623799599e-19, 5.18457950055864e-19, 5.28330562474572e-19, 5.36692322327418e-19, 5.434583142528e-19, 5.4893775834108e-19, 5.533517549677499e-19, 5.56822069556994e-19, 5.59427208763878e-19, 5.61229657477128e-19, 5.62279083172398e-19, 5.626187446188059e-19, 5.62255050522888e-19, 5.61079052873532e-19, 5.58960975363384e-19, 5.55735793799142e-19, 5.5123207528096795e-19, 5.4527678473239e-19, 5.3773053278625e-19, 5.2834978859418e-19, 5.164888749726779e-19, 5.0143322114298e-19, 4.82654108815866e-19, 4.5952829128070995e-19, 4.31208217098126e-19, 3.9661081486352996e-19, 3.544014714408e-19, 3.0323596063401e-19, 2.41866186845274e-19, 1.65862131681582e-19, 7.06686467548086e-20, -4.8081801439330196e-20, -1.9677773201124597e-19, -3.8430770049104396e-19, -6.25066783282224e-19, -9.3399687967347e-19, -1.337125349084112e-18, -1.88132386894182e-18, -2.62160958268152e-18, -3.643285578650639e-18, -5.07420555224238e-18, -6.9910176336273e-18]
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: -1.33896745442359e-24 eV

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

Energy: 0.01371175868138412
Energy: 0.013968575882845558
Energy: 0.014113223134111586
Energy: 0.013975055562012454
Energy: 0.45644926099358274
Energy: 0.014030474696108696
Energy: 0.013968575882563337
Energy: 0.11207980364570772
Energy: 0.11216151144649748
Energy: 0.11224767282819433
Energy: 0.11208337086989441
Energy: 0.1132446878542858
Energy: 0.014113223133794088
Energy: 0.11216151144649748
Energy: 0.113302972829415
Energy: 0.014146025491218859
Energy: 0.11212067239975892
Energy: 0.11292266243338484
Energy: 0.013975055562012454
Energy: 0.11224767282819433
Energy: 0.014146025491218859
Energy: 0.014008967813894277
Energy: 0.11201936645800267
Energy: 0.014050550374166281
Energy: 0.45644926099358274
Energy: 0.11208337086989441
Energy: 0.11212067239944144
Energy: 0.11201936645800267
Energy: 0.1121733623737584
Energy: 0.11204129256140274
Energy: 0.014030474696108696
Energy: 0.1132446878542858
Energy: 0.11292266243338484
Energy: 0.014050550374166281
Energy: 0.11204129256140274
Energy: 0.014172795017339245

minimum gb energy = 0.01371175868138412 eV
minimum distance =  2.5365403397651 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.2681700495344483
Energy: 0.8463813149915795
Energy: 0.8738521481165282
Energy: 0.7878382781088952
Energy: 1.2416247181166342
Energy: 0.8827817774654683
Energy: 1.2206050799008823
Energy: 0.8292152574933281
Energy: 0.8021264721259616
Energy: 0.8126143726324209
Energy: 0.8456425127215697
Energy: 0.8354030267710917
Energy: 1.177764134523505
Energy: 0.8277792296042183
Energy: 0.8146864716456896
Energy: 0.8400977952147295
Energy: 0.8461847841939824
Energy: 0.8165868174027037
Energy: 1.2912866924914674
Energy: 0.8207484319253339
Energy: 0.8065997700715342
Energy: 0.8266012231763271
Energy: 0.8205335940148698
Energy: 0.8236156233183997
Energy: 1.1807617047532544
Energy: 0.8406842215448798
Energy: 0.8323212310810951
Energy: 0.8138658274424054
Energy: 0.8171623026025099
Energy: 0.8316671902164889
Energy: 1.1712760108833806
Energy: 0.8432651735297718
Energy: 0.8341904696111674
Energy: 0.8217926984572962
Energy: 0.8420597357831195
Energy: 0.8364783856098946
Energy: 1.171311279252678
Energy: 0.8255340933549288
Energy: 0.8359284030792118
Energy: 0.8351166643873127
Energy: 0.8264401654180058
Energy: 0.8354895014027129
Energy: 1.107360264095363
Energy: 0.8388763217405446
Energy: 0.838965118732081
Energy: 0.7647524438227629
Energy: 0.8396018057579184
Energy: 0.8353909282094526
Energy: 0.9493860219697432
Energy: 0.8258795670996821
Energy: 0.8354376410626541
Energy: 0.8421201509757459
Energy: 0.8249173772814783
Energy: 0.8334283943354382
Energy: 0.9454208324173622
Energy: 0.8334361075769471
Energy: 0.8329017484550798
Energy: 0.8141270432213287
Energy: 0.8343732207323424
Energy: 0.8328328963037385
Energy: 0.938342706231078
Energy: 0.8103037207107966
Energy: 0.7932565219275488
Energy: 0.8597939675595772
Energy: 0.823776955229567
Energy: 0.8167443744655131
Energy: 0.846165957007282
Energy: 0.8188965715280551
Energy: 0.8187985898652238
Energy: 0.8463588468770495
Energy: 0.8386051873175226
Energy: 0.8232092500069463
Energy: 0.845441658159143
Energy: 0.8176210903998872
Energy: 0.8342445500393252
Energy: 0.8455020717070537
Energy: 0.8416791693249019
Energy: 0.8234488826365729
Energy: 0.9417018898277247
Energy: 0.8232983377261155
Energy: 0.8059044619538216
Energy: 0.8234232007852308
Energy: 0.8239936788846337
Energy: 0.8188291073277951
Energy: 0.8794123903298992
Energy: 0.8321654911623206
Energy: 0.8311864557848214
Energy: 0.8290326535454865
Energy: 0.8044214338695013
Energy: 0.8248647785234192
Energy: 0.8794658171310596
Energy: 0.8061490906269303
Energy: 0.8230586595474375
Energy: 0.8481875101313892
Energy: 0.8332866581085596
Energy: 0.8239145845275909
Energy: 1.0533614535043054
Energy: 0.833410382994994
Energy: 0.8333584618845613
Energy: 0.8075066114532198
Energy: 0.8333132089519577
Energy: 0.823536891436246
Energy: 1.0536869241021067
Energy: 0.8323544054934461
Energy: 0.8418709413244034
Energy: 0.8422197616683837
Energy: 0.8143532734378285
Energy: 0.8416474378827297
Energy: 1.0552278562607458
Energy: 0.842056751658226
Energy: 0.8423223340993367
Energy: 0.8167317825831663
Energy: 0.8420265965819945
Energy: 0.841678476032381
Energy: 1.1307482919748808
Energy: 0.8414202749434511
Energy: 0.8426045118258256
Energy: 0.813911069572446
Energy: 0.8329669601082428
Energy: 0.8415286687480491
Energy: 1.222897294581528
Energy: 0.8076555422788796
Energy: 0.7949060922635629
Energy: 0.8299189124833902
Energy: 0.8072076224627691
Energy: 0.8111306157882926
Energy: 1.228046170817597
Energy: 0.8496997144807544
Energy: 0.8386186246398551
Energy: 0.8385274880264805
Energy: 0.8498704055050623
Energy: 0.817484580078252
Energy: 1.2204936042213008
Energy: 0.8279863070729453
Energy: 0.8264344426623341
Energy: 0.834705110875263
Energy: 0.8279026974386108
Energy: 0.8330713552542117

minimum gb energy = 0.7647524438227629 eV
minimum distance =  2.35646369264425 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.6037829287525096
Energy: 0.9351976148438758
Energy: 0.8690069322097024
Energy: 0.8684431531067015
Energy: 0.864330138645084
Energy: 0.9012104581220596
Energy: 1.1657627800144976
Energy: 0.8876957521197325
Energy: 0.8328212402195926
Energy: 0.8668645236244829
Energy: 0.8868522320205372
Energy: 0.8326315734010966
Energy: 0.9445193155503717
Energy: 0.871362947910535
Energy: 0.8852749024998506
Energy: 0.8974782657916218
Energy: 0.8760625441358019
Energy: 0.8845845272761406
Energy: 1.3278633839021963
Energy: 0.9255461500246416
Energy: 0.8822220283673551
Energy: 0.8596165617706141
Energy: 0.9804533134916348
Energy: 0.8693989155750741
Energy: 1.163014859252787
Energy: 0.8689766509223409
Energy: 0.8797143233750094
Energy: 0.8618298045640914
Energy: 0.8607428023185729
Energy: 0.9227137504793302
Energy: 1.257797036581866
Energy: 0.9415900655523787
Energy: 0.8533699804446228
Energy: 0.8300932601904366
Energy: 0.8512136795540057
Energy: 0.9246377193709793
Energy: 1.2578473956971452
Energy: 0.8574451030393422
Energy: 0.8820008955211678
Energy: 0.878813890468105
Energy: 0.8582225944001698
Energy: 0.8832007114486029
Energy: 1.163697598166834
Energy: 0.8975881063338181
Energy: 0.8973620816663934
Energy: 0.8594397417180304
Energy: 0.8877233588739895
Energy: 0.8983013340557492
Energy: 1.0204834647226821
Energy: 0.8939503953273178
Energy: 0.9093126755903349
Energy: 0.9299778712528106
Energy: 0.8960508436812068
Energy: 0.9103631032467493
Energy: 1.019306711670171
Energy: 0.9190135263389603
Energy: 0.9194490062599479
Energy: 0.9090912651894254
Energy: 0.9186538601740697
Energy: 0.9076745216920737
Energy: 1.016765553768839
Energy: 0.8822552856283288
Energy: 0.8823480390395747
Energy: 0.9826826595474569
Energy: 0.8842764552506773
Energy: 0.8824509637998305
Energy: 0.9434947494864435
Energy: 0.8779707304347424
Energy: 0.8870208769093532
Energy: 0.8973656373086752
Energy: 0.9190288547398
Energy: 0.8950984148261416
Energy: 0.9376603772559896
Energy: 0.9119310304023817
Energy: 0.9117267856788893
Energy: 0.9250108458210169
Energy: 0.9060849959714744
Energy: 0.8866270536326865
Energy: 1.021502655886696
Energy: 0.8738582989379379
Energy: 0.8700438689570344
Energy: 0.9287630628830806
Energy: 0.8602473330820595
Energy: 0.8545327768304578
Energy: 1.0234480213400465
Energy: 0.8950613740339085
Energy: 0.9040312572429959
Energy: 0.9275662438729879
Energy: 0.8878578892902161
Energy: 0.9144731868564321
Energy: 1.0205291719073188
Energy: 0.9178580039334779
Energy: 0.9181422012143966
Energy: 0.9387835347302438
Energy: 0.913651941179
Energy: 0.9181881956217097
Energy: 1.1614287103695993
Energy: 0.9277752745006993
Energy: 0.9274873041342052
Energy: 0.924507499713928
Energy: 0.9279553671722329
Energy: 0.9274124902495685
Energy: 1.1445909584235658
Energy: 0.9528447198182786
Energy: 0.9587573669056385
Energy: 0.8935907699258943
Energy: 0.9331578774116235
Energy: 0.8985802024077686
Energy: 1.1462048744555813
Energy: 0.9577686015354647
Energy: 0.9582231593161675
Energy: 0.8971589882710083
Energy: 0.964010510829031
Energy: 0.9519986124838012
Energy: 1.1924755685569213
Energy: 0.9631689766648142
Energy: 0.9638832283867148
Energy: 0.9457310875008108
Energy: 0.9633024728674021
Energy: 0.9717718730565799
Energy: 1.271745089750808
Energy: 0.9604741258559315
Energy: 0.8348290532219139
Energy: 0.835381844838572
Energy: 0.9619462007639142
Energy: 0.8341240126269165
Energy: 1.157104297955282
Energy: 0.9485080980433451
Energy: 0.9538293861003782
Energy: 0.8599411339783263
Energy: 0.9484933300394846
Energy: 0.9159937188919381
Energy: 1.1909351560137873
Energy: 0.9483007638167583
Energy: 0.9414373919990484
Energy: 0.9596943153556052
Energy: 0.9486549376282346
Energy: 0.9178601407702199
Energy: 1.3300158230273247
Energy: 0.9476797751132261
Energy: 0.994632069400122
Energy: 0.8597103442582547
Energy: 0.9518516661906087
Energy: 0.8977174638665948
Energy: 1.1349987873868175
Energy: 0.9459240935217165
Energy: 0.9471543082401621
Energy: 0.9379608053990821
Energy: 0.9301015848314407
Energy: 0.9207621957935548
Energy: 1.1619468338460655
Energy: 0.9412543757452185
Energy: 0.9430543128591574
Energy: 0.9501883889199061
Energy: 0.942998578479324
Energy: 0.9252425728401272
Energy: 1.2583934842763729
Energy: 0.9040182300258609
Energy: 0.9057905220549706
Energy: 0.8762884008954239
Energy: 0.8662690592868528
Energy: 0.9052061684509137
Energy: 1.163359434566735
Energy: 0.8973841798276637
Energy: 0.8983817612306438
Energy: 0.9321281144999762
Energy: 0.8974364549155661
Energy: 0.9138144017588385
Energy: 1.0180404483326935
Energy: 0.8978623080022009
Energy: 0.8981357255529098
Energy: 0.9310633055325
Energy: 0.893790510568551
Energy: 0.9144823644306629
Energy: 1.0210338433800363
Energy: 0.9184822806763079
Energy: 0.919718591776374
Energy: 0.9072612284102101
Energy: 0.9182912805896911
Energy: 0.9088101014179901
Energy: 1.0083152419155292
Energy: 0.8816223621048844
Energy: 0.882403759492396
Energy: 0.8890950147200658
Energy: 0.884284291143752
Energy: 0.8821066561697213
Energy: 0.9406741894809016
Energy: 0.8698119049738926
Energy: 0.8700701983864348
Energy: 0.9064305714162842
Energy: 0.8911906521226515
Energy: 0.8786947416414835
Energy: 0.9379097073582295
Energy: 0.9113920561142276
Energy: 0.912285393782617
Energy: 0.8988239258990177
Energy: 0.9140426197550274
Energy: 0.9170963194216721
Energy: 0.9425630198405158
Energy: 0.8644000568833414
Energy: 0.8559426824782139
Energy: 0.9008734753057093
Energy: 0.8547461699957634
Energy: 0.8977853890756989
Energy: 1.0234992797655504
Energy: 0.8949183952893334
Energy: 0.8945204023704834
Energy: 0.929629550986353
Energy: 0.8878423197299518
Energy: 0.9154268500868261
Energy: 1.021396821100549
Energy: 0.9175859488175697
Energy: 0.8448062453332672
Energy: 0.9406345895281233
Energy: 0.8812341095982802
Energy: 0.9436948842168904
Energy: 1.02227602268082
Energy: 0.9319132299074777
Energy: 0.8389902046288824
Energy: 0.8500922540979703
Energy: 0.8467055141313284
Energy: 0.9439911178618283
Energy: 1.1476401558478284
Energy: 0.9458043297640518
Energy: 0.8867614462277879
Energy: 0.8968107095601322
Energy: 0.8887587453486445
Energy: 0.9449019485006592
Energy: 1.1465110711936806
Energy: 0.8879058203846739
Energy: 0.8940133418293448
Energy: 0.8889645136685679
Energy: 0.9002086210539493
Energy: 0.8986073677426276
Energy: 1.1626099208366374
Energy: 0.8982080696264415
Energy: 0.898104842597246
Energy: 0.8680733501342728
Energy: 0.8983091837215152
Energy: 0.8860266549171474
Energy: 1.273542264540309
Energy: 0.8215300211050598
Energy: 0.8340303933786456
Energy: 0.8345794996780219
Energy: 0.817320070904128
Energy: 0.8600283594298525

minimum gb energy = 0.817320070904128 eV
minimum distance =  2.32022053833135 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.313285900628621
Energy: 0.8431618252792646
Energy: 0.8432703924520376
Energy: 0.8384973928922009
Energy: 0.8183967666229103
Energy: 0.905277585578728
Energy: 1.0892115395893158
Energy: 0.8770156456025265
Energy: 0.8767513956829196
Energy: 0.8509862361291685
Energy: 0.8769423577674037
Energy: 0.8569415278771182
Energy: 1.2033710343616764
Energy: 0.8771797482416787
Energy: 0.8763960739188954
Energy: 0.8560241602183369
Energy: 0.8771934737529503
Energy: 0.8580341006059666
Energy: 1.2016932875921413
Energy: 0.8412419199201028
Energy: 0.8416593858039881
Energy: 0.8566750604569975
Energy: 0.8448082668330424
Energy: 0.8413662280371833
Energy: 1.0239665001156697
Energy: 0.8875833476679306
Energy: 0.8863797963102859
Energy: 0.8369434809167295
Energy: 0.9126518682208511
Energy: 0.8866315528751293
Energy: 1.023634763955999
Energy: 0.8872577224016862
Energy: 0.8853244707083054
Energy: 0.8862318316029228
Energy: 0.8866111005889948
Energy: 0.8844063232562455
Energy: 1.0237260553428769
Energy: 0.8209641109395591
Energy: 0.8365516013736829
Energy: 0.8863934127560378
Energy: 0.8182875200510885
Energy: 0.8868898119727842
Energy: 1.025846708241948
Energy: 0.8418214608053425
Energy: 0.8424674470151734
Energy: 0.8448800408619974
Energy: 0.8419576559984795
Energy: 0.8421273941210584
Energy: 0.8770115461978146
Energy: 0.8453919658333361
Energy: 0.8451742825428908
Energy: 0.8770394247316705
Energy: 0.8453087502195512
Energy: 0.8594132502073636
Energy: 0.8770706096491021
Energy: 0.8516429652342129
Energy: 0.887149563693265
Energy: 0.8771680604563169
Energy: 0.8515017138362455
Energy: 0.8762502604447536
Energy: 0.8938402585342381
Energy: 0.8521000667980215
Energy: 0.8398675634666315
Energy: 0.8534739596759684
Energy: 0.8503573146556495
Energy: 0.8407532201638981
Energy: 0.9143429038942882
Energy: 0.8511876462978705
Energy: 0.8761295873362143
Energy: 0.8568016217281833
Energy: 0.8630127180332612
Energy: 0.8878132450153122
Energy: 0.9136025817727419
Energy: 0.8553702046723014
Energy: 0.8557076473233028
Energy: 0.8850329093244199
Energy: 0.9063952726138932
Energy: 0.8867930306288232
Energy: 0.914548960482606
Energy: 0.8421988856251349
Energy: 0.8425501344501878
Energy: 0.8609438322333165
Energy: 0.8418843823905023
Energy: 0.8435997697173373
Energy: 1.0878370784156983
Energy: 0.8623456530347047
Energy: 0.8482171552124159
Energy: 0.8604670165724712
Energy: 0.8754965465876295
Energy: 0.848381761583777
Energy: 1.0882202791776727
Energy: 0.8886571906829165
Energy: 0.8883509296632359
Energy: 0.8665936346266891
Energy: 0.8895399626958665
Energy: 0.832186150364787
Energy: 1.1190150020942404
Energy: 0.8889951395246325
Energy: 0.8882965361616574
Energy: 0.869708286819127
Energy: 0.8889270638789906
Energy: 0.8883651815327027
Energy: 1.3095929952715937
Energy: 0.857024366593576
Energy: 0.8342697299674594
Energy: 0.8406641257418276
Energy: 0.8567537510959704
Energy: 0.8506362666620478

minimum gb energy = 0.8182875200510885 eV
minimum distance =  2.33329875308517 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.265249380227467
Energy: 0.9464542536149755
Energy: 0.8103294625787633
Energy: 0.9162362938874137
Energy: 0.8268573112065611
Energy: 0.9174215761610564
Energy: 0.9738857625768391
Energy: 0.8419583149290648
Energy: 0.8311793403540904
Energy: 0.8589917292576156
Energy: 0.8601543449080749
Energy: 0.831313726517889
Energy: 0.9618818956510616
Energy: 0.8447074109838338
Energy: 0.8655329407329675
Energy: 0.8647727987579854
Energy: 0.8602715531466858
Energy: 0.8600472509037548
Energy: 1.053525840549356
Energy: 0.927278410198901
Energy: 0.9375605479009889
Energy: 0.9312753953176962
Energy: 0.9271491490360069
Energy: 0.9271388706029664
Energy: 0.8582509319000304
Energy: 0.864724728240074
Energy: 0.8649614939590324
Energy: 0.8734040034822953
Energy: 0.922707252028821
Energy: 0.8750388563157735
Energy: 0.9481499789357157
Energy: 0.8930425256287003
Energy: 0.9670800842399034
Energy: 0.9587082223871805
Energy: 0.8932847038928472
Energy: 0.9667592459599759
Energy: 0.9555192731016836
Energy: 0.902111280922644
Energy: 0.9580863321782899
Energy: 0.9713550331242155
Energy: 0.9065193851861114
Energy: 0.9552589415209166
Energy: 1.0349538458743026
Energy: 0.8358109848382457
Energy: 0.8357421679475358
Energy: 0.9753769020499884
Energy: 0.79190837731888
Energy: 0.7882261692036232
Energy: 0.9348425788322418
Energy: 0.8357261738744799
Energy: 0.8393841525155964
Energy: 0.9160705378620393
Energy: 0.7930215203454605
Energy: 0.7894502681563795
Energy: 0.9353491340001181
Energy: 0.9375219843162729
Energy: 0.9157331710282892
Energy: 0.9162582367750454
Energy: 0.9166793054762964
Energy: 0.9385807229876181
Energy: 0.9151989274952528
Energy: 0.9640800901880858
Energy: 0.9637489108552206
Energy: 0.9172282319266355
Energy: 0.9652906407824564
Energy: 0.94025523336771
Energy: 1.01761400425459
Energy: 0.9694340277342705
Energy: 0.940615619643662
Energy: 0.9458052325906722
Energy: 0.9712982148685855
Energy: 0.9432498345807245
Energy: 0.8929806717374342
Energy: 1.043200091669012
Energy: 1.0429483592148807
Energy: 0.8952924999557745
Energy: 1.0441574617316305
Energy: 1.0430721073567573
Energy: 1.0184229606043744
Energy: 1.023978970477579
Energy: 1.023628590972483
Energy: 1.0069577526597013
Energy: 1.027949702844486
Energy: 1.0358172381827533
Energy: 0.7769022362671398
Energy: 1.0123214691547642
Energy: 1.0116076382644261
Energy: 0.7928420297841755
Energy: 1.0120473695936225
Energy: 0.7858273589465721
Energy: 1.1232757354422747
Energy: 0.9268041682620631
Energy: 0.7898208813410996
Energy: 0.7853674830988018
Energy: 0.9228392008235524
Energy: 0.7929668468971176
Energy: 1.0596938956222763
Energy: 1.01233367741858
Energy: 1.0123966262803703
Energy: 1.01139870890004
Energy: 1.0117538322636845
Energy: 1.0110314452354465
Energy: 1.051842648839936
Energy: 1.0119001691990117
Energy: 1.012303026662368
Energy: 0.9307738928170708
Energy: 1.010770629189713
Energy: 1.0117199936205763
Energy: 1.0516657663616829
Energy: 0.9201798128495042
Energy: 0.92138511252119
Energy: 0.9310011851477236
Energy: 0.9184535868364638
Energy: 0.9650805823962932
Energy: 1.039829080012004
Energy: 0.8930073378293791
Energy: 0.9520012474669759
Energy: 1.049309580644242
Energy: 0.8931916929032474
Energy: 1.0507888670837549
Energy: 1.0877269845952877
Energy: 0.9559527812298694
Energy: 0.9556365117595309
Energy: 1.001937656527878
Energy: 1.0380074218317104
Energy: 0.96070649217239
Energy: 1.0010294560324664
Energy: 0.9510206986501701
Energy: 0.9465742720544666
Energy: 0.9466801881283331
Energy: 0.9597815685207307
Energy: 0.9475363633490352
Energy: 0.9706712880220041
Energy: 0.9129289601503495
Energy: 0.790623920210562
Energy: 0.9839447345732505
Energy: 0.8226459304762787
Energy: 0.8255473464354809
Energy: 0.9439289495069207
Energy: 0.9487140072181117
Energy: 0.9491493158549493
Energy: 0.9441528820608283
Energy: 0.8901314987086233
Energy: 0.9407658257160235
Energy: 0.94374621060839
Energy: 0.9480868676774562
Energy: 0.9483642323082734
Energy: 0.9437850958561544
Energy: 0.9526809800780344
Energy: 0.9433836936658546
Energy: 1.0361409758803097
Energy: 0.9310710216428523
Energy: 0.9315861781343945
Energy: 0.8322932251002221
Energy: 0.9312735674861862
Energy: 0.8293600314955366
Energy: 0.9627420035244312
Energy: 0.967622382490677
Energy: 0.9668665508638291
Energy: 0.8309157432575721
Energy: 0.965652204701653
Energy: 0.869211448070507
Energy: 0.8928853188299305
Energy: 0.8603713857069377
Energy: 0.8636329830465767
Energy: 0.8930413442316142
Energy: 0.8659183413579533
Energy: 0.8662415810619779
Energy: 0.9569941068494164
Energy: 0.8945250087389397
Energy: 0.8786840346535748
Energy: 0.8230196854780157
Energy: 0.8947334616429825
Energy: 0.89635796110248
Energy: 0.8750162746582036
Energy: 0.8607067237329968
Energy: 0.7887393426805724
Energy: 0.7921414091105514
Energy: 0.8416988266801587
Energy: 0.8894934371769397

minimum gb energy = 0.7769022362671398 eV
minimum distance =  2.35025251760107 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.9591716592766715
Energy: 0.9465030379390859
Energy: 1.066680787838548
Energy: 0.8317615981288685
Energy: 0.8271219251467973
Energy: 1.0846008774519627
Energy: 0.861469022213549
Energy: 0.8295857221469163
Energy: 0.8302730938711507
Energy: 0.7726478843018576
Energy: 0.8295612613632483
Energy: 0.7351338963010453
Energy: 0.8681018098282577
Energy: 0.8269212311799322
Energy: 0.8275166647927819
Energy: 0.7352546923072414
Energy: 0.8262270323066807
Energy: 0.7718966924828923
Energy: 0.7704345712003187
Energy: 0.8119628164583842
Energy: 0.7909285325691832
Energy: 0.7577385436128399
Energy: 0.7880242329570178
Energy: 0.7580629667740594
Energy: 0.9552671601459829
Energy: 0.7400286549091676
Energy: 0.7563191564907559
Energy: 0.8267757906884006
Energy: 0.7390270458911182
Energy: 0.7562328786923163
Energy: 0.8253564183785304
Energy: 0.7404683985272975
Energy: 0.7396209788502554
Energy: 0.8254255818871694
Energy: 0.7392088894329504
Energy: 0.7192190007909377
Energy: 0.8297203054817173
Energy: 0.7576484989802937
Energy: 0.7559164751822721
Energy: 0.8299741478260193
Energy: 0.7579134677357614
Energy: 0.7720041179227742
Energy: 0.829830609907512
Energy: 0.7529736393141726
Energy: 0.7531250150223977
Energy: 0.8298379540916382
Energy: 0.7530231843799883
Energy: 0.753442119100989
Energy: 0.8687487306703712
Energy: 0.753175298468439
Energy: 0.7355236662644399
Energy: 0.829759862695209
Energy: 0.779727078819315
Energy: 0.7707851261212473
Energy: 0.8697499351668119
Energy: 0.7929117940325244
Energy: 0.7770683992630185
Energy: 0.810278826786142
Energy: 0.7582291828579066
Energy: 0.7934840887375295
Energy: 0.8684439567554361
Energy: 0.8114702402003484
Energy: 0.8131180254722378
Energy: 0.7738581844095108
Energy: 0.8121419503733224
Energy: 0.8093690211183885
Energy: 0.8680704920458755
Energy: 0.7713479735029121
Energy: 0.770449295273194
Energy: 0.7585563793125355
Energy: 0.8296782098273564
Energy: 0.7353981857613028

minimum gb energy = 0.7192190007909377 eV
minimum distance =  2.40361950142601 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.4816862347761801
Energy: 0.9428432517258526
Energy: 0.8049995185463253
Energy: 0.7700827799054553
Energy: 0.8837891025020438
Energy: 0.7129393325392991
Energy: 0.7324760156205372
Energy: 0.7150817967689581
Energy: 0.7019710133157946
Energy: 0.6933215144372286
Energy: 0.7147492344661666
Energy: 0.6867087868534787
Energy: 0.7399135265669676
Energy: 0.714603682217396
Energy: 0.7061109102098806
Energy: 0.7113104773484595
Energy: 0.7148126398732905
Energy: 0.6915098145059936
Energy: 0.7404542386304525
Energy: 0.683469227940714
Energy: 0.6711954268846382
Energy: 0.6978318992791352
Energy: 0.7184987285836992
Energy: 0.6717332073020996
Energy: 0.7890823827642369
Energy: 0.6945641321013308
Energy: 0.6784450983584119
Energy: 0.7197535545974111
Energy: 0.6943029381678617
Energy: 0.7057874046202667
Energy: 0.7325459104730662
Energy: 0.7007340635621951
Energy: 0.732231663927494
Energy: 0.7324035976981413
Energy: 0.6846284470992197
Energy: 0.6959803784148672
Energy: 0.7326834062481585
Energy: 0.6717304299335551
Energy: 0.671109863532864
Energy: 0.7337848686555996
Energy: 0.6922461480567255
Energy: 0.7375843462012186
Energy: 0.7324463988262551
Energy: 0.7010707857592977
Energy: 0.6748001076842327
Energy: 0.7325840119390077
Energy: 0.6943305906075715
Energy: 0.7060282217593946
Energy: 0.8624693937731815
Energy: 0.7126797164772176
Energy: 0.7398841220619297
Energy: 0.7200600279434374
Energy: 0.7125901325097359
Energy: 0.7176285356313529
Energy: 0.6898319651436849
Energy: 0.6986177816232212
Energy: 0.6712820223936268
Energy: 0.6816981112237765
Energy: 0.7190141758558241
Energy: 0.6762337008515926
Energy: 0.6834458754837415
Energy: 0.7325029302051655
Energy: 0.7353763384261046
Energy: 0.7024178038141404
Energy: 0.7320635354037112
Energy: 0.7037522241170668
Energy: 0.8611463641319561
Energy: 0.7322466941180052
Energy: 0.7324078176896678
Energy: 0.683815198589346
Energy: 0.7322133845897869
Energy: 0.7060116728859408
Energy: 1.3070293995137128
Energy: 0.8156527847528622
Energy: 0.6774851494889256
Energy: 0.6778452198321457
Energy: 0.7338655538535641
Energy: 0.7071011593979123
Energy: 0.8763799659330771
Energy: 0.720828668212868
Energy: 0.7083454930306905
Energy: 0.6836554415900875
Energy: 0.732703905550629
Energy: 0.7069457611312447
Energy: 0.7164892892605633
Energy: 0.7068948915714865
Energy: 0.7111873074497087
Energy: 0.7165466717666176
Energy: 0.7097802485661285
Energy: 0.7128978382757352
Energy: 0.7155015794179479
Energy: 0.6894226030335565
Energy: 0.7116631676956794
Energy: 0.7166876393649914
Energy: 0.7098093622468145
Energy: 0.7170693371219646
Energy: 0.713951702874285
Energy: 0.6813825736784614
Energy: 0.6713677432507689
Energy: 0.7138746912637695
Energy: 0.6816645544309806
Energy: 0.6934256397803915
Energy: 0.7395494407620985
Energy: 0.6830394095225386
Energy: 0.7021957605150354
Energy: 0.7155368924506357
Energy: 0.6959303772675386
Energy: 0.7020867628252054
Energy: 0.7399313412179144
Energy: 0.6892964487930103
Energy: 0.6856182166658737
Energy: 0.7148471983785852
Energy: 0.6883426435182103
Energy: 0.6854874806598489
Energy: 0.7391122301626052
Energy: 0.6989591844181724
Energy: 0.6881921084354098
Energy: 0.7002708676745142
Energy: 0.699760088428363
Energy: 0.6935126004796964
Energy: 0.7398349167008913
Energy: 0.7165499440171943
Energy: 0.6990394606147712
Energy: 0.713342552512975
Energy: 0.7146117300816631
Energy: 0.6855595308145439
Energy: 0.7859747535216062
Energy: 0.7157597322648863
Energy: 0.7377067634857
Energy: 0.6956076630958682
Energy: 0.7159810512679057
Energy: 0.6607479006999027
Energy: 0.7834096818684675
Energy: 0.7148568539372344
Energy: 0.710410782055807
Energy: 0.6953297749266544
Energy: 0.71473281340121
Energy: 0.6763810356596378
Energy: 0.7396020423261335
Energy: 0.716305578327274
Energy: 0.7146684088700739
Energy: 0.7225803666793063
Energy: 0.7156408968195624
Energy: 0.7059030539451986
Energy: 0.9619903063479693
Energy: 0.6824230181484843
Energy: 0.7066129314105677
Energy: 0.7008578692196955
Energy: 0.7187543127139766
Energy: 0.7075192355050856
Energy: 0.738461558606159
Energy: 0.6832634311327214
Energy: 0.6715297806787138
Energy: 0.7339243176029916
Energy: 0.6830507126724894
Energy: 0.7074438254118869
Energy: 0.6854387274490958
Energy: 0.7149616363302584
Energy: 0.7339454028125753
Energy: 0.6855391138157868
Energy: 0.7148193607594734
Energy: 0.6568777204860631
Energy: 0.7326196613231478
Energy: 0.6717976464389456
Energy: 0.6720608218833084
Energy: 0.7322761524368442
Energy: 0.6831188752546261
Energy: 0.7032079438307252
Energy: 0.73228376323893
Energy: 0.6995131041232694
Energy: 0.7373138318399126
Energy: 0.7321879093561792
Energy: 0.6992218925197035
Energy: 0.7383788859770806
Energy: 0.723751101395729
Energy: 0.7038019461517061
Energy: 0.6744737850320965
Energy: 0.71321839670048
Energy: 0.6942333654944415
Energy: 0.6709511791767898
Energy: 0.6835664930190213
Energy: 0.6997306234548789
Energy: 0.715800687828939
Energy: 0.7016337224926407
Energy: 0.7130298908200333
Energy: 0.7344602122745544
Energy: 0.6895657165417394
Energy: 0.7342523296760977
Energy: 0.7057673006087735
Energy: 0.682775357883764
Energy: 0.7322744241874541
Energy: 0.6762169318471775
Energy: 0.8772753691765919
Energy: 0.7329450462239278
Energy: 0.7323855234808199
Energy: 0.7201618688174359
Energy: 0.7345998074896806
Energy: 0.672099426027357
Energy: 0.7378775013009681
Energy: 0.7326505896813353
Energy: 0.7328809878628193
Energy: 0.697008635557884
Energy: 0.7327182526276571
Energy: 0.6696755030329039
Energy: 0.7345047612225208
Energy: 0.7210343494834328
Energy: 0.7097125559585972
Energy: 0.6998979197331978
Energy: 0.7202298472339441
Energy: 0.7073824385891125
Energy: 0.7372512730762651
Energy: 0.7055995891353514
Energy: 0.7078671606531561
Energy: 0.7289953254795002
Energy: 0.7027933398263687
Energy: 0.6744852105386338
Energy: 0.7152313101333454
Energy: 0.709356864667696
Energy: 0.7057516261132004
Energy: 0.7163737699410115
Energy: 0.7070366011850012
Energy: 0.7077696722305771
Energy: 0.7140440369567389
Energy: 0.6871893694935848
Energy: 0.6867827066191502
Energy: 0.714092612872683
Energy: 0.6913301445037291
Energy: 0.6744627390243235
Energy: 0.7494863864873392
Energy: 0.6772133503206792
Energy: 0.6786667382020003
Energy: 0.76472565534847
Energy: 0.6791692441496767
Energy: 0.7017052377202802
Energy: 0.7392827143916781
Energy: 0.6871823740846166
Energy: 0.6971715876455042
Energy: 0.7142633633860992
Energy: 0.6862614743139902
Energy: 0.6836755253446154
Energy: 0.738525647894834
Energy: 0.6883723141283868
Energy: 0.6916925144811104
Energy: 0.6996148405192416
Energy: 0.7007824281023377
Energy: 0.6915996169484571
Energy: 0.740461152558987
Energy: 0.7029076273960023
Energy: 0.7049180553459601
Energy: 0.7175496826437505
Energy: 0.7011914532663566
Energy: 0.6853019264209855
Energy: 0.783382555907477
Energy: 0.7149613517258476
Energy: 0.7048564880932301
Energy: 0.6953527461672044
Energy: 0.7149536480024913
Energy: 0.657314098065782

minimum gb energy = 0.6568777204860631 eV
minimum distance =  2.37104873143696 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.34857517448228054
Energy: 0.7764864717939256
Energy: 0.3593033389274209
Energy: 0.34971622293217747
Energy: 0.3958777131791115
Energy: 0.3504321983680819
Energy: 0.3494746015726384
Energy: 0.36945826546130256
Energy: 0.37027887044681435
Energy: 0.39082750501556046
Energy: 0.39319071609312733
Energy: 0.3778580226567724
Energy: 0.4367537731768029
Energy: 0.39516887867355566
Energy: 0.3719981854598032
Energy: 0.3929342432929364
Energy: 0.3946522521697558
Energy: 0.3708150291926865
Energy: 0.4369575859989048
Energy: 0.3958460417455033
Energy: 0.3704056515754843
Energy: 0.39467140080095164
Energy: 0.43692450771885116
Energy: 0.3706539899029409
Energy: 0.4326317179943345
Energy: 0.35110906655629204
Energy: 0.3730908098388167
Energy: 0.43454383155298265
Energy: 0.34993141690905444
Energy: 0.3708169197764203
Energy: 0.39486691180905414
Energy: 0.3504196118744631
Energy: 0.35118957416980134
Energy: 0.36986635476185314
Energy: 0.3497615872122484
Energy: 0.3704379063383261
Energy: 0.3891868692060103
Energy: 0.36895739626599827
Energy: 0.3702852664697802
Energy: 0.38984210309203265
Energy: 0.36696226629375917
Energy: 0.37905969931749744
Energy: 0.3949412808385895
Energy: 0.3712796175630128
Energy: 0.3964033082505188
Energy: 0.3951429689859563
Energy: 0.3704751709130515
Energy: 0.4027543448268254
Energy: 0.4319291023999653
Energy: 0.3976157507875392
Energy: 0.38080145106106383
Energy: 0.39412715246329943
Energy: 0.39233007160146943
Energy: 0.3708554120038061
Energy: 0.34928644716008217
Energy: 0.3970577080435403
Energy: 0.3518046561629812
Energy: 0.349550725892809
Energy: 0.39205414228141466
Energy: 0.3704259398639566
Energy: 0.34934765019112896
Energy: 0.36901555606305997
Energy: 0.3702146060450814
Energy: 0.34959118910508685
Energy: 0.36729484264090745
Energy: 0.3724500632208065
Energy: 0.43400328279995753
Energy: 0.39504678022217465
Energy: 0.37199586967298676
Energy: 0.3912666522609944
Energy: 0.3926539705513025
Energy: 0.3790341013301658
Energy: 0.43730400553851334
Energy: 0.4375367182147319
Energy: 0.4324802602659793
Energy: 0.3952938889730249
Energy: 0.4370657852806554
Energy: 0.4324916182795389
Energy: 0.4328887067072365
Energy: 0.39455640847547246
Energy: 0.3954123567227037
Energy: 0.39334139667124124
Energy: 0.3921877384246212
Energy: 0.3706104127390266
Energy: 0.43665860241211313
Energy: 0.3501501456826276
Energy: 0.3504899264727214
Energy: 0.3940946824400886
Energy: 0.3515181117795323
Energy: 0.3514400603066138
Energy: 0.3920814768146081
Energy: 0.3702732329387454
Energy: 0.3783225681773498
Energy: 0.39277330391729687
Energy: 0.35039093988481673
Energy: 0.37067303142340063
Energy: 0.3941973762537323
Energy: 0.3820067971902794
Energy: 0.38106178308991656
Energy: 0.3942799296592126
Energy: 0.3934263523882224
Energy: 0.3714197896505127
Energy: 0.43678768777005356
Energy: 0.3723863964028238
Energy: 0.39549834146670576
Energy: 0.43613781644613586
Energy: 0.37230396591324066
Energy: 0.37076970823199107
Energy: 0.3493490436790413
Energy: 0.3697767063631917
Energy: 0.3704725081817614
Energy: 0.34961281964430524
Energy: 0.3966621738358698
Energy: 0.37229021948283997

minimum gb energy = 0.34857517448228054 eV
minimum distance =  2.4099459542134 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.2145311605789073
Energy: 0.5573859908529272
Energy: 0.6956099471217796
Energy: 0.5967500375773213
Energy: 0.671904784709965
Energy: 0.6965053334685157
Energy: 0.5714121321246985
Energy: 0.5888834472539038
Energy: 0.5683513754983459
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Energy: 0.5609412824016969
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Energy: 0.562602403218026
Energy: 0.5640232960154977
Energy: 0.5725588013957913
Energy: 0.5700544440105898
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Energy: 0.5819675253191012
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Energy: 0.5633101399607058
Energy: 0.5624537600711147
Energy: 0.5627543849859604
Energy: 0.5566759900038519
Energy: 0.671629210807737
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Energy: 0.8566178195691547
Energy: 0.6323488066361858
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Energy: 0.8063589875886088
Energy: 0.6011588482877893
Energy: 0.5621563864970874
Energy: 1.054031678381413
Energy: 0.6205659909250061
Energy: 0.6136950297569553
Energy: 0.5771492419481442
Energy: 0.6258763318305663
Energy: 0.6688853859790308
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Energy: 0.5750814605159825
Energy: 0.56590074797191
Energy: 0.5614781937308296
Energy: 0.580137061347508
Energy: 0.5713640646092634
Energy: 0.7142739797955228
Energy: 0.6877609784446287
Energy: 0.5808236307597918
Energy: 0.6955004693504325
Energy: 0.776561842493189
Energy: 0.574256886689462
Energy: 0.8330255078360403
Energy: 0.6289075908780154
Energy: 0.614792228925905
Energy: 0.6077833672754049
Energy: 0.6711137953915804
Energy: 0.6125094379178693
Energy: 0.7978775135675498
Energy: 0.7786376413872284
Energy: 0.5915695999109942
Energy: 0.7800699332189647
Energy: 0.7789133953427567
Energy: 0.6801022731511353
Energy: 0.5607653106696087
Energy: 0.6243885272300885
Energy: 0.615775131443628
Energy: 0.5614879178979569
Energy: 0.5718010761180407
Energy: 0.6144510886547689
Energy: 0.5599698136066728
Energy: 0.568587423797235
Energy: 0.571856718762185
Energy: 0.5601718980524599
Energy: 0.5667489676497134
Energy: 0.5637386958347304
Energy: 0.6519255021076641
Energy: 0.565287976350253
Energy: 0.563306746013528
Energy: 0.6806059309126727
Energy: 0.562726830019839
Energy: 0.5679507817259238
Energy: 0.6269679267826097
Energy: 0.5627416077044244
Energy: 0.5654536578104504
Energy: 0.5809524723857697
Energy: 0.57788460472532
Energy: 0.5433566011341049

minimum gb energy = 0.5431372079536567 eV
minimum distance =  2.38219607926786 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.1784111674910587
Energy: 0.6592200452009493
Energy: 0.8246965492115845
Energy: 0.7040705422762386
Energy: 0.7768354791872049
Energy: 0.7028483984301491
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Energy: 0.6665764704576036
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Energy: 0.7672711074522818
Energy: 0.6668270897189073
Energy: 0.6033745535747851
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Energy: 0.609385009863973
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Energy: 0.6088421639765642
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Energy: 0.608281308483919
Energy: 0.6018963932215612
Energy: 0.6200852265384895
Energy: 0.6098654506492682
Energy: 0.6163021259144659
Energy: 0.8462104216493085
Energy: 0.6265758278486292
Energy: 0.6130893773835987
Energy: 0.6045201102057102
Energy: 0.6073750708486395
Energy: 0.6039893990649082
Energy: 0.845947458496452
Energy: 0.6286242224269709
Energy: 0.613846755760928
Energy: 0.7865780063582042
Energy: 0.6336375096486501
Energy: 0.6041787414858601
Energy: 0.6648819699592597
Energy: 0.5984621919602078
Energy: 0.6200095645640323
Energy: 0.6274291361425258
Energy: 0.6054914125986963
Energy: 0.6096861842878716
Energy: 0.60734603096688
Energy: 0.6363603867031496
Energy: 0.6368797306930195
Energy: 0.6076037277519519
Energy: 0.9322171832145996
Energy: 0.6364725602602206
Energy: 0.7025967171377722
Energy: 0.62605306626889
Energy: 0.6197641011671008
Energy: 0.7030971799187422
Energy: 0.6254281821157921
Energy: 0.6199274117944384
Energy: 0.6076282389060909
Energy: 0.602056599887354
Energy: 0.6078754548239935
Energy: 0.6076643539667742
Energy: 0.6015947087349383
Energy: 0.6055575299628273
Energy: 0.6031103075707176
Energy: 0.6081042318133396
Energy: 0.6033095875891209
Energy: 0.6143005667986291
Energy: 0.6033868181000699
Energy: 0.6077885581387091
Energy: 1.0670714965595338
Energy: 0.6228466643090437
Energy: 0.5791574783659293
Energy: 0.7774053739721641
Energy: 0.6090851857051801
Energy: 0.5845646547047724

minimum gb energy = 0.5790253845236876 eV
minimum distance =  2.37843676580919 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.8255111131398373
Energy: 0.7724028488499113
Energy: 0.7726021212802482
Energy: 0.65494013360492
Energy: 0.7038700135630341
Energy: 0.7720733886448041
Energy: 0.6883567947560394
Energy: 0.644841706702216
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Energy: 0.643386335762959
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Energy: 0.627600062191125
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Energy: 0.6425634478959492
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Energy: 0.6274400040093274
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Energy: 0.6453801344963593
Energy: 1.2999713217912086
Energy: 0.6638903100537713
Energy: 0.6254353566229883
Energy: 0.6246623535927133
Energy: 0.7221891597789425
Energy: 0.6253156632596217

minimum gb energy = 0.6237528841676157 eV
minimum distance =  2.38648635857167 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.9770696459798579
Energy: 0.7124211341012147
Energy: 0.7120713218240159
Energy: 0.7119158150590557
Energy: 0.7205869768665402
Energy: 0.711880147823013
Energy: 0.7417782556277067
Energy: 0.6862689527276087
Energy: 0.6859604813475965
Energy: 0.6869665046919937
Energy: 0.6892509971032558
Energy: 0.68572826181696
Energy: 0.701932498918852
Energy: 0.6602709386405778
Energy: 0.6804368396302717
Energy: 0.6799509377735791
Energy: 0.6599645366367413
Energy: 0.6804355613359078
Energy: 0.701964291346845
Energy: 0.6820630033706168
Energy: 0.6816386432885169
Energy: 0.6824789381945312
Energy: 0.6807467192266008
Energy: 0.6816616921512826
Energy: 0.7129784580876982
Energy: 0.6872684103731354
Energy: 0.6873254902778047
Energy: 0.7134022726092683
Energy: 0.6871960286821209
Energy: 0.6874181968956735
Energy: 0.7140065727565146
Energy: 0.691619142859066
Energy: 0.6890183086857296
Energy: 0.7142324529406053
Energy: 0.6928434308821741
Energy: 0.6901484791423894
Energy: 0.7416233210775617
Energy: 0.6866545461844956
Energy: 0.6860443760305652
Energy: 0.65525580572963
Energy: 0.6908010824628666
Energy: 0.6859770333076073

minimum gb energy = 0.65525580572963 eV
minimum distance =  2.41642738987251 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.252230524653492
Energy: 0.8266991839526623
Energy: 0.7647527420588125
Energy: 0.7414450074433145
Energy: 1.2432045310513293
Energy: 0.7681340564376569
Energy: 0.7690396678804629
Energy: 0.7887139338436883
Energy: 0.7628253383003493
Energy: 0.7961088545515559
Energy: 0.7978973977079031
Energy: 0.762545976210003
Energy: 0.7618426155094066
Energy: 0.7715287051189654
Energy: 0.7706385691172449
Energy: 0.7619665962036796
Energy: 0.7706055246813487
Energy: 0.7601156127465746
Energy: 0.7580539196797982
Energy: 0.7575476186778975
Energy: 0.7575246117093731
Energy: 0.7590138962892575
Energy: 0.7729352925316177
Energy: 0.7577356591522996
Energy: 0.7565466526837733
Energy: 0.7572585370126076
Energy: 0.7569608387580091
Energy: 0.7573412384885952
Energy: 0.7573726906582071
Energy: 0.7569377316596353
Energy: 0.7581046975601143
Energy: 0.7565692241102068
Energy: 0.7568125631378915
Energy: 0.758446424089704
Energy: 0.7490698871303935
Energy: 0.7569391757660815
Energy: 0.7602792922057864
Energy: 0.7740536771877587
Energy: 0.7620298487921044
Energy: 0.7635667818243677
Energy: 0.7796147330122594
Energy: 0.7496133963875526
Energy: 1.0082273191786413
Energy: 0.8032606343806786
Energy: 0.755017917058552
Energy: 0.760067076089887
Energy: 0.7989419717021818
Energy: 0.7572756351512564
Energy: 0.7630429027717629
Energy: 0.7517998690730623
Energy: 0.7513606170284015
Energy: 0.7678860275225099
Energy: 0.7771011211154673
Energy: 0.787999741692942
Energy: 0.7568635125719981
Energy: 0.738929646406746
Energy: 0.7429974619889823
Energy: 0.8226899191976166
Energy: 0.7391964338901791
Energy: 0.7660912836089033
Energy: 0.8050133014236641
Energy: 0.7381495658977789
Energy: 0.7664630843862066
Energy: 0.8045262203716286
Energy: 0.7430451996816986
Energy: 0.7482261500498174
Energy: 0.7900075628389132
Energy: 0.7598669417278409
Energy: 0.7583215116852543
Energy: 0.7764025067752328
Energy: 0.7607584278405045
Energy: 0.7576947459192094
Energy: 0.7577142853264469
Energy: 0.7592251595830007
Energy: 0.7570992789512024
Energy: 0.7576997597822701
Energy: 0.7577840696994178
Energy: 0.7574424082273754
Energy: 0.7686900092684774
Energy: 0.7584729831323448
Energy: 0.7588305777401219
Energy: 0.7678304533013227
Energy: 0.758898813402159
Energy: 0.7568932125648895
Energy: 0.8607696410050665
Energy: 0.7642094103144997
Energy: 0.7768272305778136
Energy: 0.7575101796860673
Energy: 0.7641652729591284
Energy: 0.7609053875855422
Energy: 0.7903939946595202
Energy: 0.7620584266084252
Energy: 0.7632333967130788
Energy: 0.7985301247137505
Energy: 0.7841847998068731
Energy: 0.7612431066442058
Energy: 0.8717698117326915
Energy: 0.7575636555905865
Energy: 0.75640886298565
Energy: 0.8723432199101712
Energy: 0.7593853933213478
Energy: 0.7784829494230753
Energy: 0.8573349436759377
Energy: 0.7874141793075625
Energy: 0.7571543979466058
Energy: 0.8071298291683809
Energy: 0.7564429949065616
Energy: 0.7584575124621666
Energy: 0.8966537351176195
Energy: 0.7584498267220736
Energy: 0.7586387868212776
Energy: 0.8267187394541232
Energy: 0.7950531853560175
Energy: 0.742845463868272
Energy: 0.822462850995303
Energy: 0.7555889901716196
Energy: 0.7572520989821719
Energy: 0.7439377627457773
Energy: 0.7512334824913528
Energy: 0.7439711738309653
Energy: 0.7507985712838232
Energy: 0.7577355240445353
Energy: 0.7590533004042622
Energy: 0.7522675822167124
Energy: 0.7543753623131552
Energy: 0.7582652369996511
Energy: 0.7482310477678898
Energy: 0.7576337318678618
Energy: 0.7562939784691283
Energy: 0.7551664786890796
Energy: 0.7562300807990628
Energy: 0.7554072995971955
Energy: 0.7638282446186132
Energy: 0.7676922426757435
Energy: 0.7567636271747908
Energy: 0.7645133308214676
Energy: 0.7533146981041303
Energy: 0.7652344984263643
Energy: 0.7488624120792691
Energy: 0.7603117605237725
Energy: 0.7600334040320194
Energy: 0.749301701348446
Energy: 0.7604002992394351
Energy: 0.7525982376508804
Energy: 0.7581548457510366
Energy: 0.7583932779066681
Energy: 0.758459643784404
Energy: 0.7843571069270945
Energy: 0.759299015377513
Energy: 0.7587731169278344
Energy: 0.9045507894979542
Energy: 0.8072432791313718
Energy: 0.7563812328541932
Energy: 0.7762277499056947
Energy: 0.8002337542149913
Energy: 0.7683854392172093
Energy: 0.7440473517964237
Energy: 0.8072230389786267
Energy: 0.8063260161936348
Energy: 0.7762937567994374
Energy: 0.8132275239458163
Energy: 0.7758704639377759
Energy: 0.758886257140774
Energy: 0.7616463801298793
Energy: 0.7615709173561095
Energy: 0.8088729624486863
Energy: 0.7936878521062346
Energy: 0.758529160494312
Energy: 0.7595458742204375
Energy: 0.7718025096028654
Energy: 0.7709539469466293
Energy: 0.7595063206977407
Energy: 0.7713631564591471
Energy: 0.760727985439577
Energy: 0.7630094218939311
Energy: 0.7561954005435386
Energy: 0.7575657354021773
Energy: 0.7644509105973788
Energy: 0.7848608343255533
Energy: 0.7576936644259874
Energy: 0.7579505321127216
Energy: 0.7577097550913459
Energy: 0.757639214100157
Energy: 0.7573691718790931
Energy: 0.7583507370804288
Energy: 0.7575360261479986
Energy: 0.7699149302867364
Energy: 0.7483244187307815
Energy: 0.7503511276167639
Energy: 0.7513796978062125
Energy: 0.7741524768309036
Energy: 0.7500708932775425
Energy: 0.8647656662185332
Energy: 0.7798477994281543
Energy: 0.7779986704634487
Energy: 0.7585783901213305
Energy: 0.7982495334072215
Energy: 0.7585264822434848
Energy: 0.8670402396653185
Energy: 0.7949320788484628
Energy: 0.7595910345713556
Energy: 0.8049567770625452
Energy: 0.7995794747446356
Energy: 0.7926521757597699
Energy: 0.7569914607926392
Energy: 0.7763831673262195
Energy: 0.7701173629214794
Energy: 0.7593828436350326
Energy: 0.7400791538709406
Energy: 0.7570698423797873
Energy: 0.7949651660964034
Energy: 0.739084640545531
Energy: 0.7431814164013061
Energy: 0.795704114920268
Energy: 0.7391006315261333
Energy: 0.7659289634422103
Energy: 0.7893971498878287
Energy: 0.7519585247301578
Energy: 0.7499909099973789
Energy: 0.7802052212167893
Energy: 0.7504643057251519
Energy: 0.7501910645281609
Energy: 0.7581039280234696
Energy: 0.7578907663485798
Energy: 0.7575466781888427
Energy: 0.738543463646226
Energy: 0.7572404260957999
Energy: 0.7580069300824271
Energy: 0.7465202563693155
Energy: 0.7597582310996129
Energy: 0.7595686257219038
Energy: 0.7588362617615628
Energy: 0.7645340721971193
Energy: 0.7573015909942901
Energy: 0.790675185538244
Energy: 0.7594493181029632
Energy: 0.7603012384266835
Energy: 0.7561853191203141
Energy: 0.7588504507185195
Energy: 0.7588403960991617
Energy: 0.8561567198820711
Energy: 0.7586410121834835
Energy: 0.7586401557219014
Energy: 0.7845327783873723
Energy: 0.7615686448613762
Energy: 0.7592899746753562
Energy: 0.8532501959159214
Energy: 0.75118291644736
Energy: 0.7716766158260121
Energy: 0.8532784169072363
Energy: 0.7584833195412221
Energy: 0.7924349906597121
Energy: 0.8563930690616666
Energy: 0.758827330455999
Energy: 0.7599009985476654
Energy: 0.865885660577172
Energy: 0.758508322409136
Energy: 0.7775579144102744
Energy: 0.7674325903365771
Energy: 0.7628020429242333
Energy: 0.7610838152905577
Energy: 0.7626031564625628
Energy: 0.760623020149167
Energy: 0.7582730377435579
Energy: 1.1040490000233771
Energy: 0.7508072041645335
Energy: 0.8014617960477534
Energy: 0.800890328257317
Energy: 0.7496928639648878
Energy: 0.8015844207132318
Energy: 0.7482713692156265
Energy: 0.7626806422070712
Energy: 0.7646293194831117
Energy: 0.7515248322612157
Energy: 0.7487073069517283
Energy: 0.7650362075503039
Energy: 0.7490456974416496
Energy: 0.7565473310679423
Energy: 0.7560681944991995
Energy: 0.7564278420820885
Energy: 0.7580007038943353
Energy: 0.7562988073630124
Energy: 0.749726699197731
Energy: 0.7585202914827287
Energy: 0.7592290456299087
Energy: 0.7507978271936269
Energy: 0.7530573730671188
Energy: 0.7578850582329658
Energy: 0.7515514084858209
Energy: 0.7575793399974359
Energy: 0.7581395375354192
Energy: 0.7523280883677522
Energy: 0.758198866311309
Energy: 0.7585479916005581
Energy: 0.7609242095726775
Energy: 0.7578549650264899
Energy: 0.757778617073126
Energy: 0.7674800301099908
Energy: 0.7649684157943092
Energy: 0.7590963147380319
Energy: 0.7691954551965059
Energy: 0.7573549402069877
Energy: 0.7563842421080988
Energy: 0.7783167942520111
Energy: 0.7640204678892019
Energy: 0.7593036153305633

minimum gb energy = 0.7381495658977789 eV
minimum distance =  2.36048959782892 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.2802126490873569
Energy: 0.7569111926375678
Energy: 0.6922333508473045
Energy: 0.6946838364425961
Energy: 0.7921071236909772
Energy: 0.6925789210499242
Energy: 0.6914751387487776
Energy: 0.729815664706661
Energy: 0.7257560319801588
Energy: 0.7189414434465168
Energy: 0.7190891507686603
Energy: 0.7340023144879059
Energy: 0.7156080756458124
Energy: 0.7192881164046855
Energy: 0.720850200274443
Energy: 0.7213958146795579
Energy: 0.6938258918369745
Energy: 0.7198133427978838
Energy: 0.7115871629476826
Energy: 0.7204473318648745
Energy: 0.7209428337047422
Energy: 0.7120608155449623
Energy: 0.6937270672847908
Energy: 0.7234443055904654
Energy: 0.7115417984972413
Energy: 0.7200152664228828
Energy: 0.7197861581813536
Energy: 0.7119161135643497
Energy: 0.7315410358262425
Energy: 0.7189026104074494
Energy: 0.7175772008077992
Energy: 0.7249483580677166
Energy: 0.7198341830129401
Energy: 0.7191453687944308
Energy: 0.7390772477965917
Energy: 0.7197781056224705
Energy: 0.7100457843077826
Energy: 0.7261235257074622
Energy: 0.7379751315253109
Energy: 0.7394076537622823
Energy: 0.7226316120971125
Energy: 0.7336644202217179
Energy: 0.8862844494860472
Energy: 0.7920267979122182
Energy: 0.7596184872829584
Energy: 0.7243700353554164
Energy: 0.7919136297305032
Energy: 0.7291492955522892
Energy: 0.7102303469491893
Energy: 0.7306152030818188
Energy: 0.7380494583702735
Energy: 0.7368045301551019
Energy: 0.7205050035196887
Energy: 0.7383322036563292
Energy: 0.7117566964490001
Energy: 0.6916314957673771
Energy: 0.6915398257296654
Energy: 0.7125854757072465
Energy: 0.691933237173359
Energy: 0.6932679719010716
Energy: 0.7202809070511175
Energy: 0.6941378478981206
Energy: 0.694082333128303
Energy: 0.7206000353995458
Energy: 0.6948783584866831
Energy: 0.7238399721176831
Energy: 0.6922097376516817
Energy: 0.723221088289521
Energy: 0.7237556584768507
Energy: 0.6931744865024907
Energy: 0.7309022224285995
Energy: 0.7236885845968335
Energy: 0.6941339956510243
Energy: 0.7284449772498375
Energy: 0.7194169278628731
Energy: 0.693645801157104
Energy: 0.7131712407108395
Energy: 0.72004912349805
Energy: 0.7185121913071811
Energy: 0.7117877078311955
Energy: 0.7226528975955355
Energy: 0.7194076735143259
Energy: 0.7105295077979829
Energy: 0.7205335326939004
Energy: 0.7957243615964056
Energy: 0.7155399679809508
Energy: 0.7191030880023211
Energy: 0.7253910577096118
Energy: 0.7267550906063662
Energy: 0.719650072216423
Energy: 0.7204418093112033
Energy: 0.7264520948592739
Energy: 0.7262825223517178
Energy: 0.719610751885231
Energy: 0.7298270292332643
Energy: 0.7276666865829952
Energy: 0.7874321342755273
Energy: 0.7039698668705551
Energy: 0.7171027987206594
Energy: 0.7885069532613065
Energy: 0.732577498181442
Energy: 0.7327283113735188
Energy: 0.7146653234595484
Energy: 0.7323186655336439
Energy: 0.7384340996561235
Energy: 0.7204552138032038
Energy: 0.7390572269358751
Energy: 0.7383814983417697
Energy: 0.8494185366620615
Energy: 0.7254806286845795
Energy: 0.6928448261166799
Energy: 0.7080645597205414
Energy: 0.7218484352568194
Energy: 0.6928951095013607
Energy: 0.8490615268566015
Energy: 0.7250637526990603
Energy: 0.6921749147255833
Energy: 0.6929531317793163
Energy: 0.7225526575547466
Energy: 0.6923532814002484
Energy: 0.7128791347037157
Energy: 0.7307819213704003
Energy: 0.7406301723947667
Energy: 0.7195654682472916
Energy: 0.7199622244478989
Energy: 0.72442397609256
Energy: 0.7144868629865415
Energy: 0.7220111986730363
Energy: 0.7217338898808426
Energy: 0.7143971626812976
Energy: 0.7195038106828763
Energy: 0.7215834080207512
Energy: 0.7111633048917322
Energy: 0.7284573395314846
Energy: 0.7278766723233446
Energy: 0.7100471922383146
Energy: 0.7295495807332866
Energy: 0.7264971251313966
Energy: 0.7152666097093966
Energy: 0.720361908152639
Energy: 0.720034496455861
Energy: 0.7129949029412624
Energy: 0.7206275885636944
Energy: 0.7197973999836621
Energy: 0.7117461371788318
Energy: 0.7394775765528525
Energy: 0.7256357036551303
Energy: 0.7191421262348557
Energy: 0.7279326481382488
Energy: 0.7237785071916651
Energy: 0.7986137187524636
Energy: 0.7604333568247266
Energy: 0.7611053874775715
Energy: 0.7389217813183862
Energy: 0.7952773901169686
Energy: 0.7654726221065997
Energy: 0.798720334203773
Energy: 0.7617471685255829
Energy: 0.7621580323387884
Energy: 0.7383519757126361
Energy: 0.7614074085906192
Energy: 0.768120179215102
Energy: 0.7128866916674953
Energy: 0.7141096716288603
Energy: 0.7322632805327911
Energy: 0.7196853541424312
Energy: 0.6922117676451637
Energy: 0.7241407298305027
Energy: 0.722625427548457
Energy: 0.6912975136766141
Energy: 0.6912081677761518
Energy: 0.7212854606169344
Energy: 0.6912721565829553
Energy: 0.6930612934166592
Energy: 0.7185198411891276
Energy: 0.7289001744840765
Energy: 0.7276142280631702
Energy: 0.7186499186131815
Energy: 0.7200989049562297
Energy: 0.732227661284005
Energy: 0.6954277954007668
Energy: 0.7150813333370909
Energy: 0.7202106495768306
Energy: 0.6930305442592275
Energy: 0.7259688379790898
Energy: 0.7208606698504385
Energy: 0.7191256617705717
Energy: 0.711549589862471
Energy: 0.7130987372523867
Energy: 0.7197318740802843
Energy: 0.7110668783851924
Energy: 0.7226235313145312
Energy: 0.7855061535013131
Energy: 0.7238844124994841
Energy: 0.7182000644530269
Energy: 0.7248011256363173
Energy: 0.713142557978452
Energy: 0.7184685463347965
Energy: 0.7191222332194671
Energy: 0.7230228925491163
Energy: 0.7229755349375276
Energy: 0.732069963341442
Energy: 0.7259879148887938
Energy: 0.7235206903392898
Energy: 0.7874000954499986
Energy: 0.7324479889452078
Energy: 0.7405891554250472
Energy: 0.7873080407480986
Energy: 0.7383322970535114
Energy: 0.738792845378911
Energy: 0.8041235398463225
Energy: 0.7037078001376249
Energy: 0.7247141258841047
Energy: 0.8034034043860092
Energy: 0.7409695685238497
Energy: 0.7631461530451031
Energy: 0.7104342708230438
Energy: 0.7300497391315659
Energy: 0.726314238647957
Energy: 0.7191774484149531
Energy: 0.7190091192264592
Energy: 0.7377494577869448
Energy: 0.8751187556697315
Energy: 0.7156188669239455
Energy: 0.6923688338925619
Energy: 0.6909570438778224
Energy: 0.7163572205756074
Energy: 0.6931946327692143

minimum gb energy = 0.6909570438778224 eV
minimum distance =  2.37708371030631 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.350736899916044
Energy: 0.8620642280241104
Energy: 0.7946157202161773
Energy: 0.7382674747362588
Energy: 0.8100867974459769
Energy: 0.7382796326870911
Energy: 0.7148943725171271
Energy: 0.7444397759460343
Energy: 0.7516493870358917
Energy: 0.7812849689429746
Energy: 0.7474331708322838
Energy: 0.7220403006781911
Energy: 0.7230148271029897
Energy: 0.7297477818679167
Energy: 0.728228111918864
Energy: 0.809512653120498
Energy: 0.7295046982702985
Energy: 0.7240827417340896
Energy: 0.7238759910377068
Energy: 0.7128649256025203
Energy: 0.7231661145336967
Energy: 0.7229423989997015
Energy: 0.7487043722910705
Energy: 0.7227086879377742
Energy: 0.7232197270228476
Energy: 0.7396398031453278
Energy: 0.7387999381371091
Energy: 0.7239860592612802
Energy: 0.7423156836904626
Energy: 0.7446651457537129
Energy: 0.7228940187742445
Energy: 0.7440520021642908
Energy: 0.7395080361755175
Energy: 0.7450185164147702
Energy: 0.7320379113838333
Energy: 0.7376453576810243
Energy: 0.7238494773316599
Energy: 0.7226258113073034
Energy: 0.7227050093373324
Energy: 0.723135227738954
Energy: 0.7225477746637429
Energy: 0.7223921682032833
Energy: 0.7503157082668264
Energy: 0.7232906065151683
Energy: 0.724136799398798
Energy: 0.7505524613344563
Energy: 0.7228693872510129
Energy: 0.7254230326053409
Energy: 0.7244451932005451
Energy: 0.7225825081814838
Energy: 0.722206218331763
Energy: 0.7238006991354358
Energy: 0.7221575511527407
Energy: 0.72215893942591
Energy: 0.8665578926272162
Energy: 0.732690478077572
Energy: 0.7630250731454138
Energy: 0.8671683287540412
Energy: 0.7330739700420423
Energy: 0.7641564963601991
Energy: 0.739007965280338
Energy: 0.7488348268293924
Energy: 0.7688637538308214
Energy: 0.723699745978697
Energy: 0.7288342263161598
Energy: 0.7522850217813234
Energy: 0.7612412466496721
Energy: 0.7228722731667327
Energy: 0.7228604484111131
Energy: 0.7265436966726997
Energy: 0.7226640070670126
Energy: 0.7230106269222734
Energy: 0.7597818718731447
Energy: 0.7242664502646964
Energy: 0.735008885419863
Energy: 0.7320982856930996
Energy: 0.7629678840085943
Energy: 0.7352490455620493
Energy: 0.7441229354801748
Energy: 0.7228634256935971
Energy: 0.7291178171917817
Energy: 0.7260005092473696
Energy: 0.7224313062613951
Energy: 0.7388229874360059
Energy: 0.7490297081746906
Energy: 0.7427194402135333
Energy: 0.7497354038921069
Energy: 0.7584072127975852
Energy: 0.722288804615544
Energy: 0.7497722308244976
Energy: 0.7421693807946602
Energy: 0.76128730408176
Energy: 0.7507278930330209
Energy: 0.7424924247894092
Energy: 0.7418727907995518
Energy: 0.7419592917250651
Energy: 0.740028800901207
Energy: 0.7570737937329737
Energy: 0.7573257606659612
Energy: 0.7400348635735954
Energy: 0.7464249187273327
Energy: 0.7580900241000585
Energy: 0.7395174224700803
Energy: 0.7502369020806454
Energy: 0.7584123366986546
Energy: 0.7570291098890982
Energy: 0.7497745060746361
Energy: 0.7557642883909867
Energy: 0.7491478336631796
Energy: 0.7402814204401617
Energy: 0.7413607717798857
Energy: 0.7270787880718561
Energy: 0.7711068751347585
Energy: 0.7245274872840922
Energy: 0.7474227570801453
Energy: 0.7397775760542077
Energy: 0.7412236454075172
Energy: 0.7268956222698577
Energy: 0.7718216211632526
Energy: 0.7247618895833028
Energy: 0.7395518053410276
Energy: 0.7499673295145668
Energy: 0.7616132939666065
Energy: 0.7569969528000682
Energy: 0.7399589740487206
Energy: 0.7517270146695196
Energy: 0.8031568176086835
Energy: 0.736504051274511
Energy: 0.7363407288852035
Energy: 0.8031972051864494
Energy: 0.7287925382819094
Energy: 0.815668898232517
Energy: 0.7483677833735064
Energy: 0.7491596346329105
Energy: 0.7499076776090002
Energy: 0.7575563618107997
Energy: 0.7744249450642355
Energy: 0.7590188927809538
Energy: 0.7639849895033836
Energy: 0.7538006662606973
Energy: 0.7521175599616259
Energy: 0.7675558330268485
Energy: 0.740879177685191
Energy: 0.754493481226171
Energy: 0.7486557316954868
Energy: 0.7406143199520979
Energy: 0.7419933042272819
Energy: 0.7506328543829557
Energy: 0.7402162829964137
Energy: 0.7542653230651276
Energy: 0.7836959333953665
Energy: 0.7455001125798602
Energy: 0.7510019182533755
Energy: 0.7641372225372539
Energy: 0.7444338847093158
Energy: 0.7498887738093144
Energy: 0.7837578718273882
Energy: 0.7442201634826318
Energy: 0.7472929913987653
Energy: 0.723470829927377
Energy: 0.7490228742082726
Energy: 0.7467710449532101
Energy: 0.7926067269350386
Energy: 0.7292564829587553
Energy: 0.729071599111368
Energy: 0.7226349756796151
Energy: 0.7330441469541852
Energy: 0.7233245759697207
Energy: 0.7517132286886545
Energy: 0.7272379126980316
Energy: 0.7271406201548453
Energy: 0.7518401428275866
Energy: 0.7510762722745702
Energy: 0.7271577103201489
Energy: 0.7243054814144663
Energy: 0.729588952226943
Energy: 0.7291369121647752
Energy: 0.7812935782362023
Energy: 0.7254930563212595
Energy: 0.7223948574272493
Energy: 0.7317779431994687
Energy: 0.7988358048640918
Energy: 0.7574255532460669
Energy: 0.7452458360969971
Energy: 0.842219956406756
Energy: 0.7333444135730428

minimum gb energy = 0.7128649256025203 eV
minimum distance =  2.36035939777411 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.9064352158796104
Energy: 0.7437857209154193
Energy: 0.7438014443819505
Energy: 0.7166823646662266
Energy: 0.8816294752087519
Energy: 0.7438805993724878
Energy: 0.7097364796152591
Energy: 0.7549566601913857
Energy: 0.7423153197568102
Energy: 0.7145741396480868
Energy: 0.715306281629666
Energy: 0.7371073288845025
Energy: 0.7150754557069943
Energy: 0.6918344224973046
Energy: 0.6943577371690214
Energy: 0.7422778437072295
Energy: 0.6915578192129808
Energy: 0.6955802851047805
Energy: 0.742514497462191
Energy: 0.6916910225286301
Energy: 0.6943102282200354
Energy: 0.7433281718988911
Energy: 0.6932530357113151
Energy: 0.7466306189441991
Energy: 0.74926387648647
Energy: 0.7198080534780328
Energy: 0.7204653607501432
Energy: 0.748420327525488
Energy: 0.7325121798092025
Energy: 0.7300467561845618
Energy: 0.6976488145722799
Energy: 0.7196577425032761
Energy: 0.7200522900637303
Energy: 0.734206828452281
Energy: 0.7299497604426247
Energy: 0.7268113737643742
Energy: 0.7151896418270396
Energy: 0.7455085763280909
Energy: 0.7472970838505668
Energy: 0.7584897066471953
Energy: 0.7458629574885369
Energy: 0.7337450628055909
Energy: 0.7576799139476831
Energy: 0.7328371177022843
Energy: 0.7165211977216666
Energy: 0.7269480348560182
Energy: 0.7323356029186788
Energy: 0.7429652602319445
Energy: 0.736105470753732
Energy: 0.7428205772847984
Energy: 0.7417623452304617
Energy: 0.7190934424522555
Energy: 0.7554350631163799
Energy: 0.7283375193708027
Energy: 0.8381634756840536
Energy: 0.7401968706527364
Energy: 0.7413996480707012
Energy: 0.8169929850452121
Energy: 0.7394416582499236
Energy: 0.7446320516148371
Energy: 0.7156329443871348
Energy: 0.7265413432352099
Energy: 0.7269298800638763
Energy: 0.7355824951195157
Energy: 0.7568218035159825
Energy: 0.7622435051577662
Energy: 0.7110248009876068
Energy: 0.7483142804299251
Energy: 0.7418424434090035
Energy: 0.7134958112980343
Energy: 0.7155012110687224
Energy: 0.7673069621208984
Energy: 0.7123160657809968
Energy: 0.7444660348350867
Energy: 0.7659184924185689
Energy: 0.6941791912557699
Energy: 0.7528012224478471
Energy: 0.7659257476961021
Energy: 0.7169425948727651
Energy: 0.7547064357594305
Energy: 0.7368582825111102
Energy: 0.715474835347156
Energy: 0.7586888988137679
Energy: 0.7414338568656672
Energy: 0.7187959524959212
Energy: 0.7118459045975142
Energy: 0.7169679974617676
Energy: 0.7201973911416912
Energy: 0.7124784282162521
Energy: 0.7167983361388396
Energy: 0.746576576621819
Energy: 0.732395190065019
Energy: 0.7324552756889536
Energy: 0.7444366066979986
Energy: 0.7266009803363903
Energy: 0.7323251682304451
Energy: 0.7537846497582199
Energy: 0.7253341004593228
Energy: 0.7215296921890384
Energy: 0.7274912086979222
Energy: 0.7291902858225794
Energy: 0.7200276496661719
Energy: 0.7539161680799703
Energy: 0.7283954508204515
Energy: 0.7198161856538621
Energy: 0.7299621749963485
Energy: 0.7468114977651826
Energy: 0.7203439670945322
Energy: 0.7627251040695071
Energy: 0.7461108684238426
Energy: 0.7420453143452146
Energy: 0.7265742968572471
Energy: 0.745525929143519
Energy: 0.7403458087143809
Energy: 0.7627643229796226
Energy: 0.7440727149024311
Energy: 0.7447034186117392
Energy: 0.7268940765992953
Energy: 0.7440595682272888
Energy: 0.7632631351514766
Energy: 0.736945524347602
Energy: 0.7453030428056523
Energy: 0.7489265873205114
Energy: 0.739002632727573
Energy: 0.7571727446053677
Energy: 0.7263423016716496
Energy: 0.8814561507995942
Energy: 0.737026929091572
Energy: 0.7254558315028572
Energy: 0.8814929725413242
Energy: 0.7384423155533385
Energy: 0.7262420984911826
Energy: 0.7178330724305875
Energy: 0.7554387369745617
Energy: 0.7449869037848205
Energy: 0.737269160197377
Energy: 0.7589257725724019
Energy: 0.7440008381813601
Energy: 0.7122671802474558
Energy: 0.7432524658385723
Energy: 0.7640734470517898
Energy: 0.6914576989692491
Energy: 0.7494620170304681
Energy: 0.7654783024654519

minimum gb energy = 0.6914576989692491 eV
minimum distance =  2.35150164772296 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.6744777056015305
Energy: 0.8065422951856643
Energy: 0.8099616773346062
Energy: 0.7495836957302933
Energy: 0.7393027343148294
Energy: 0.7371589959787619
Energy: 0.7052321596034464
Energy: 0.776104464055801
Energy: 0.767238928445964
Energy: 0.7883704830101717
Energy: 0.7764516006542911
Energy: 0.7169541472248518
Energy: 0.9598795952037952
Energy: 0.6738624084643514
Energy: 0.6930127557464147
Energy: 0.7824284760881176
Energy: 0.6739951728885176
Energy: 0.6923850192403999
Energy: 0.78521240114896
Energy: 0.6733173066294628
Energy: 0.6992944080568716
Energy: 0.7833336355397806
Energy: 0.6943876857197044
Energy: 0.7666550595341706
Energy: 0.6966114870498771
Energy: 0.678741042549149
Energy: 0.6681370292425103
Energy: 0.6973842550230444
Energy: 0.6864662561149644
Energy: 0.667637245313779
Energy: 0.6923925886536714
Energy: 0.6873753579813371
Energy: 0.6831219250436895
Energy: 0.6647290770095614
Energy: 0.6904382904902873
Energy: 0.6648031495265633
Energy: 0.6890091998932805
Energy: 0.6857768452771742
Energy: 0.685951666448092
Energy: 0.6861208711080755
Energy: 0.6879499834390044
Energy: 0.6710049622742198
Energy: 0.6743429304440184
Energy: 0.6539769218743338
Energy: 0.6541933758187788
Energy: 0.6543920488422404
Energy: 0.6554376306692509
Energy: 0.654041203342348
Energy: 0.6892380970816449
Energy: 0.6557610507721953
Energy: 0.6569136206489766
Energy: 0.6868286444267828
Energy: 0.6608780205832385
Energy: 0.6771135778582632
Energy: 0.690950279992276
Energy: 0.6736755399121093
Energy: 0.6738565699004598
Energy: 0.6902430494714394
Energy: 0.6685073619121112
Energy: 0.6832990711877768
Energy: 0.6606148132521887
Energy: 0.6763983313604185
Energy: 0.6674334981845087
Energy: 0.6869580279142312
Energy: 0.7830387285123901
Energy: 0.678946923028416
Energy: 0.7805063063541661
Energy: 0.7811643378824383
Energy: 0.781081105360641
Energy: 0.78026781756607
Energy: 0.7826287927826419
Energy: 0.7812893566551312
Energy: 0.7809458333846476
Energy: 0.7763721326901767
Energy: 0.7673435614923021
Energy: 0.6694558167310195
Energy: 0.7764725552079278
Energy: 0.767765539981618
Energy: 0.7860716878067731
Energy: 0.7770820664079439
Energy: 0.776332085474916
Energy: 0.7893926106825047
Energy: 0.7838702256392218
Energy: 0.7159991472408721
Energy: 0.7394608901396337
Energy: 0.7739313500095081
Energy: 0.7738289163329228
Energy: 0.7400760742806182
Energy: 0.7740300378798975
Energy: 0.783219703283839
Energy: 0.8707679646908797
Energy: 0.7835550289908171
Energy: 0.7143283542583503
Energy: 0.7826145243099366
Energy: 0.7889824713749682
Energy: 0.7672989226573794
Energy: 0.7752854292151897
Energy: 0.7760075966055423
Energy: 0.8560721626181746
Energy: 0.699776336433145
Energy: 0.7766721462728376
Energy: 0.8559960442013584

minimum gb energy = 0.6539769218743338 eV
minimum distance =  2.3702990523474 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.2642350309715555
Energy: 0.8545117653367414
Energy: 0.6949476980030473
Energy: 0.6930662970938113
Energy: 0.7736532373294832
Energy: 0.692384457854143
Energy: 0.6937869537677613
Energy: 0.7444882514227501
Energy: 0.6345002488000215
Energy: 0.7630190381703241
Energy: 0.7652940531240681
Energy: 0.6941220018835352
Energy: 0.9148125645827125
Energy: 0.6138510964265894
Energy: 0.6492229367126071
Energy: 0.7694741904763214
Energy: 0.6140168682711565
Energy: 0.6638103534201316
Energy: 0.7665661104974257
Energy: 0.6688326048790494
Energy: 0.6729271587651718
Energy: 0.7677569721312762
Energy: 0.6155257109208435
Energy: 0.6946560946215733
Energy: 0.6738723285771749
Energy: 0.6360948675107025
Energy: 0.6330378507481536
Energy: 0.6740221442812143
Energy: 0.6566973971780958
Energy: 0.6249309585386484
Energy: 0.6754732781531513
Energy: 0.6635115028962473
Energy: 0.6097416300684166
Energy: 0.6123973160365612
Energy: 0.6639756142634068
Energy: 0.6108253431346112
Energy: 0.6219205592502149
Energy: 0.6634525526845008
Energy: 0.6632600655798747
Energy: 0.6192192182999811
Energy: 0.6671426985336747
Energy: 0.6343518244329055
Energy: 0.6234144256217281
Energy: 0.5956947201373468
Energy: 0.6018504983855804
Energy: 0.6056456279404953
Energy: 0.5963907391271095
Energy: 0.601850844793613
Energy: 0.623893323290029
Energy: 0.6024079701342407
Energy: 0.6217536041299876
Energy: 0.6244847227425567
Energy: 0.6171014389639056
Energy: 0.6229246649925432
Energy: 0.6226551118425521
Energy: 0.6019889800485866
Energy: 0.6020262560326751
Energy: 0.6227328044312342
Energy: 0.6015439762536509
Energy: 0.6018639560479481
Energy: 0.636614822577459
Energy: 0.6231211720536249
Energy: 0.599672192456902
Energy: 0.6000386932184187
Energy: 0.6229316632391425
Energy: 0.5998975978526295
Energy: 0.6252603058225611
Energy: 0.6236659364828039
Energy: 0.6231895584600433
Energy: 0.6263101581665673
Energy: 0.627250336474647
Energy: 0.6201086597914689
Energy: 0.637714760024487
Energy: 0.6016096508005406
Energy: 0.6009408931157202
Energy: 0.6033893939101423
Energy: 0.616214422001449
Energy: 0.6011381062787569
Energy: 0.6646826730707193
Energy: 0.6068844634323679
Energy: 0.6069172056892608
Energy: 0.665716148834462
Energy: 0.6124238485647034
Energy: 0.6637205430210418
Energy: 0.6633530819963799
Energy: 0.6179114070738021
Energy: 0.6176427807801678
Energy: 0.6634050734742817
Energy: 0.6170080895779592
Energy: 0.6316872461912442
Energy: 0.7701982456379218
Energy: 0.6571533098370315
Energy: 0.6257289755343038
Energy: 0.6559265726256994
Energy: 0.6744915100079035
Energy: 0.6315671983523092
Energy: 0.6229651347799088
Energy: 0.7640108443257498
Energy: 0.7642627606300785
Energy: 0.6217293131895889
Energy: 0.7691771160118988
Energy: 0.6473016759663707
Energy: 0.6764335027835198
Energy: 0.7434115731504353
Energy: 0.7421295215151862
Energy: 0.6762801450242397
Energy: 0.7686628272517748
Energy: 0.635293552286937
Energy: 0.8483077671112628
Energy: 0.7418517210042562
Energy: 0.6931692784712393
Energy: 0.7641182231692787
Energy: 0.6700289200571193
Energy: 0.6322914602525573
Energy: 0.9164465379747095
Energy: 0.656151840887672
Energy: 0.6567496747300808
Energy: 0.7456639269475459
Energy: 0.6563100221916419
Energy: 0.7479225460618727
Energy: 0.9051447483774805
Energy: 0.7436537439213661
Energy: 0.7425152142787237
Energy: 0.7656982981183595
Energy: 0.7422769795909059
Energy: 0.7418747701843593
Energy: 0.6326246498132417
Energy: 0.7491617655642872
Energy: 0.8308404924259891
Energy: 0.6399523040890568
Energy: 0.7488670288152739
Energy: 0.6849956125206269
Energy: 0.6344353987245007
Energy: 0.7435101423521416
Energy: 0.7423238042446532
Energy: 0.6363451296784988
Energy: 0.7777022153395443
Energy: 0.813282102167334
Energy: 0.9154352748226402
Energy: 0.6638742555374817
Energy: 0.737934437455768
Energy: 0.7650701468900882
Energy: 0.6283110195601197
Energy: 0.7224035931883762
Energy: 0.7638263877831339
Energy: 0.6143434978333736
Energy: 0.6498589478787986
Energy: 0.7634502791654572
Energy: 0.615234865317155
Energy: 0.6516808513592485
Energy: 0.676259244663722
Energy: 0.6334430355846343
Energy: 0.6323421005519729
Energy: 0.6762526931075725
Energy: 0.6561498596014381
Energy: 0.6578435447809542
Energy: 0.6129896009872645
Energy: 0.6451764231097691
Energy: 0.6461546910069034
Energy: 0.6125947908226765
Energy: 0.6554316075157602
Energy: 0.611232700640969
Energy: 0.613788018412293
Energy: 0.6638155256635256
Energy: 0.6637355555159358
Energy: 0.615068144109937
Energy: 0.665372109681919
Energy: 0.6635014915030799
Energy: 0.626485329705738
Energy: 0.6029416411621863
Energy: 0.6079499044545292
Energy: 0.6072637288930929
Energy: 0.6639752915886631
Energy: 0.608268650583131
Energy: 0.6234998827573328
Energy: 0.5955851930765155
Energy: 0.6022070405130627
Energy: 0.6235650559286573
Energy: 0.596269969921827
Energy: 0.6013214183289017
Energy: 0.6274197517061576
Energy: 0.596931967645292
Energy: 0.5970096719757286
Energy: 0.628632169859298
Energy: 0.5968820000800688
Energy: 0.6126493861737216
Energy: 0.6234212800132394
Energy: 0.5975317677424257
Energy: 0.5980035085718686
Energy: 0.6165804705921211
Energy: 0.5968582143714996
Energy: 0.598182216788197
Energy: 0.6321161072912637
Energy: 0.6231569439569966
Energy: 0.6233333027837088
Energy: 0.6321666450719421
Energy: 0.6238482712450261
Energy: 0.6232271982066052
Energy: 0.6665215332825778
Energy: 0.6129222407062209
Energy: 0.6073618803800283
Energy: 0.6029677717035872
Energy: 0.6033568971755349
Energy: 0.6082657258720731
Energy: 0.6712242170129861
Energy: 0.606821432143084
Energy: 0.606836009616838
Energy: 0.6637988313718589
Energy: 0.6071984753099462
Energy: 0.6030157026140613
Energy: 0.6706894922416662
Energy: 0.604971477362209
Energy: 0.6259229736336419
Energy: 0.663837544813395
Energy: 0.6052206140103491
Energy: 0.6577284261492654
Energy: 0.8526929982558433
Energy: 0.6251370778257322
Energy: 0.6254608906221948
Energy: 0.6595696596743731
Energy: 0.6710903286554302
Energy: 0.6308297445997462
Energy: 0.6297037296440419
Energy: 0.7631112124681766
Energy: 0.7634445974813543
Energy: 0.6550138012614352
Energy: 0.7653026237708931
Energy: 0.6584657834529102
Energy: 0.65465642267718
Energy: 0.7402351072818312
Energy: 0.6567852984357729
Energy: 0.6333152397952051
Energy: 0.7487655566111672
Energy: 0.6458331989641718
Energy: 0.6652850585385465
Energy: 0.7445838624741262
Energy: 0.742151683761047
Energy: 0.6758280101690748
Energy: 0.7674377659289947
Energy: 0.6988004569834552
Energy: 0.8536019876192324
Energy: 0.6355467824261433
Energy: 0.7262771621314371
Energy: 0.7664441716993593
Energy: 0.6353494197204953
Energy: 0.7273901581657743
Energy: 0.9148794092184698
Energy: 0.6921575054035353
Energy: 0.7414090565426927
Energy: 0.7654284415978971
Energy: 0.674479305283319
Energy: 0.7227378544138338
Energy: 0.6358275620727383
Energy: 0.7437061036778926
Energy: 0.7421481776674381
Energy: 0.6376079882751887
Energy: 0.7658891234185204
Energy: 0.8157242138194402

minimum gb energy = 0.5955851930765155 eV
minimum distance =  2.34974303357677 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.5789956492768359
Energy: 0.7834621937110894
Energy: 0.6613014282419308
Energy: 0.575456694667176
Energy: 0.9875963372830585
Energy: 0.6530136739900307
Energy: 0.8339074622917637
Energy: 0.6042696463533089
Energy: 0.6037519455792341
Energy: 0.7006731339810439
Energy: 0.7365137129107242
Energy: 0.6621316246076813
Energy: 0.8612351683119605
Energy: 0.5746065940962627
Energy: 0.5747368099619398
Energy: 0.740599728899521
Energy: 0.5752992448074102
Energy: 0.618806100178492
Energy: 0.7367537736235599
Energy: 0.5745790043987017
Energy: 0.6470187777962704
Energy: 0.7374885054358983
Energy: 0.5741443566442771
Energy: 0.6505684348476106
Energy: 0.6356896543370474
Energy: 0.6035493815688581
Energy: 0.6029606026847651
Energy: 0.6365303126233829
Energy: 0.6551703424521527
Energy: 0.5986468949151131
Energy: 0.5836692883190128
Energy: 0.6424438397208794
Energy: 0.5734235697214175
Energy: 0.5544674950572442
Energy: 0.6421652241783302
Energy: 0.5739097803169626
Energy: 0.5931018061748853
Energy: 0.6487569047459408
Energy: 0.6419969504400548
Energy: 0.5642873426085483
Energy: 0.6474002976058725
Energy: 0.5647958915034492
Energy: 0.7778599650516751
Energy: 0.5521309113007838
Energy: 0.5517799531948793
Energy: 0.5648143961569959
Energy: 0.5526979791907469
Energy: 0.5628889162566528
Energy: 0.5957582778162397
Energy: 0.5866413756361556
Energy: 0.5932695909625653
Energy: 0.5969453761147111
Energy: 0.6003982937169549
Energy: 0.5933443869754464
Energy: 0.5930875799237878
Energy: 0.560458832718448
Energy: 0.5617143315889606
Energy: 0.5933356352514036
Energy: 0.560576496816457
Energy: 0.5595442836049488
Energy: 0.6310395113974602
Energy: 0.5713156480997725
Energy: 0.5482809963598217
Energy: 0.5462289313549096
Energy: 0.5720505682937185
Energy: 0.5484040545439074
Energy: 0.597199954587048
Energy: 0.5787424960180616
Energy: 0.5712945699479635
Energy: 0.5794068821822607
Energy: 0.5761895932744192
Energy: 0.5535486513768239
Energy: 0.5709707705000598
Energy: 0.5906873830574799
Energy: 0.5600880103096663
Energy: 0.5485837300231268
Energy: 0.5912128337934021
Energy: 0.5596234840417841
Energy: 0.5720452667012789
Energy: 0.551578424786927
Energy: 0.5718167544854919
Energy: 0.5736048850101668
Energy: 0.5818615646862692
Energy: 0.5715740671550968
Energy: 0.5712312075825041
Energy: 0.5496144402523222
Energy: 0.5493763032761663
Energy: 0.5713364990197447
Energy: 0.5504443431181576
Energy: 0.5490229300189784
Energy: 0.6072937571429048
Energy: 0.5935787579452262
Energy: 0.5564864111303347
Energy: 0.5581929323173874
Energy: 0.60348723378174
Energy: 0.5563636343736023
Energy: 0.6063677550654829
Energy: 0.6022701133544749
Energy: 0.5931583930232112
Energy: 0.5542948916111898
Energy: 0.5994947079010077
Energy: 0.5626340581618609
Energy: 0.5744815236563003
Energy: 0.5693154164682104
Energy: 0.5694583813134935
Energy: 0.5751070312693864
Energy: 0.5708933587711947
Energy: 0.5624105712013213
Energy: 0.6426922287860632
Energy: 0.5681524420344702
Energy: 0.6036863765862368
Energy: 0.6443850957636651
Energy: 0.572670328750043
Energy: 0.6420967049788779
Energy: 0.7286020025657559
Energy: 0.5810749586790473
Energy: 0.5802370435115982
Energy: 0.5931350484684041
Energy: 0.5777803672336902
Energy: 0.6012023046605736
Energy: 0.8090728157674909
Energy: 0.627672040460752
Energy: 0.6299623521132138
Energy: 0.6281759379136641
Energy: 0.6301247568336674
Energy: 0.6008860032691851
Energy: 0.6531580741945056
Energy: 0.7344834001759559
Energy: 0.6419694515247824
Energy: 0.5656951396957871
Energy: 0.7431168937413145
Energy: 0.593049431824783
Energy: 0.5968615841737352
Energy: 0.6789288808114077
Energy: 0.6829008573698393
Energy: 0.5979454224498854
Energy: 0.7378177093361439
Energy: 0.6630351406344347
Energy: 0.8066007041028979
Energy: 0.6311993006209838
Energy: 0.5998346553109104
Energy: 0.6295166288233993
Energy: 0.6417821217568319
Energy: 0.6048745480252892
Energy: 0.8661823480667521
Energy: 0.601785052168967
Energy: 0.6026736768404322
Energy: 0.7455854611839283
Energy: 0.5952649890723368
Energy: 0.6938563351092335
Energy: 0.8538150688971016
Energy: 0.6818699876686922
Energy: 0.6775543631223019
Energy: 0.7403917343793539
Energy: 0.7397424703136574
Energy: 0.5959313599541729
Energy: 0.5768960121063457
Energy: 0.7127824828197294
Energy: 0.6640522832635463
Energy: 0.5776369656833269
Energy: 0.7150234376556166
Energy: 0.6253107399851017

minimum gb energy = 0.5462289313549096 eV
minimum distance =  2.37819024730517 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.49581723336156114
Energy: 0.660486699140203
Energy: 0.579147269846503
Energy: 0.49271924732972017
Energy: 0.659081038600704
Energy: 0.555364847202429
Energy: 0.7060074962663315
Energy: 0.5163157769711215
Energy: 0.5067144987373614
Energy: 0.6130971758514897
Energy: 0.5464361268439705
Energy: 0.4964257595836963
Energy: 0.7412924063224711
Energy: 0.48141477814891337
Energy: 0.4954887653327531
Energy: 0.6126347922610134
Energy: 0.4807671133650457
Energy: 0.4950906089141159
Energy: 0.6432101601508095
Energy: 0.49566286607513027
Energy: 0.49596259213002714
Energy: 0.5489783227835029
Energy: 0.6380476049684324
Energy: 0.5654711465072062
Energy: 0.5981015587217171
Energy: 0.5064961964104282
Energy: 0.5077190784158847
Energy: 0.538459098411302
Energy: 0.5424706992701649
Energy: 0.5020092346137333
Energy: 0.48026632449810513
Energy: 0.5713427227026574
Energy: 0.489387341039449
Energy: 0.46728972209208686
Energy: 0.570824910286248
Energy: 0.4851604509411531
Energy: 0.6422756319344868
Energy: 0.5711487674488421
Energy: 0.5710193481444847
Energy: 0.47820776236866036
Energy: 0.5713720621130901
Energy: 0.4768098744190773
Energy: 0.6747763963016132
Energy: 0.4632339762629299
Energy: 0.46957709570005307
Energy: 0.47666109254467565
Energy: 0.46329039997042637
Energy: 0.4692421188180746
Energy: 0.5298040389803862
Energy: 0.4703541369577637
Energy: 0.5006469194407465
Energy: 0.5314256161542416
Energy: 0.49049004915290734
Energy: 0.5276240710189471
Energy: 0.5281531801372982
Energy: 0.46420182753175515
Energy: 0.4644360446502534
Energy: 0.5281147216128402
Energy: 0.46393815496303104
Energy: 0.46414886747060186
Energy: 0.47671482510917534
Energy: 0.5010066117607249
Energy: 0.46166360835142095
Energy: 0.45726314558284814
Energy: 0.501063905118787
Energy: 0.4574175929578369
Energy: 0.5325888308754316
Energy: 0.501265694096239
Energy: 0.5011180094207781
Energy: 0.4891126763186993
Energy: 0.5014561607133795
Energy: 0.4683184435673216
Energy: 0.6477261884216629
Energy: 0.4820054342890733
Energy: 0.5098411048902686
Energy: 0.5083226545319186
Energy: 0.45227004046178293
Energy: 0.5090907798236358
Energy: 0.4853991019384298
Energy: 0.4813062611091366
Energy: 0.4854275787347852
Energy: 0.4868936542506816
Energy: 0.4790434522952612
Energy: 0.48545037379465616
Energy: 0.48512746090940345
Energy: 0.45459886257047777
Energy: 0.4559360404863766
Energy: 0.4851753281653434
Energy: 0.45426812855471577
Energy: 0.45487686541867395
Energy: 0.481229921772579
Energy: 0.478200345395108
Energy: 0.4701117526552226
Energy: 0.45244581365754427
Energy: 0.4783178486616347
Energy: 0.452087341763478
Energy: 0.48881528438349275
Energy: 0.47830223077319833
Energy: 0.47814804453915294
Energy: 0.4551902020595451
Energy: 0.47838937578570795
Energy: 0.45507507091604243
Energy: 0.4783467855452057
Energy: 0.4552199287141297
Energy: 0.45595332384306236
Energy: 0.4782644486851084
Energy: 0.5033676654544799
Energy: 0.4555897088779257
Energy: 0.4785553194418265
Energy: 0.47380922767236605
Energy: 0.4779471621424103
Energy: 0.4791970000284217
Energy: 0.536482430325732
Energy: 0.47843902430884355
Energy: 0.47897361089230134
Energy: 0.46105280536320536
Energy: 0.46106674564801114
Energy: 0.47938198607893695
Energy: 0.5006700187918149
Energy: 0.460938811834082
Energy: 0.504129859562413
Energy: 0.4855362498254494
Energy: 0.4853262397398067
Energy: 0.4639465198299534
Energy: 0.4857115070180161
Energy: 0.4615599963447966
Energy: 0.482177838947404
Energy: 0.48566343488505587
Energy: 0.47841269840791417
Energy: 0.45542204275636233
Energy: 0.485933141946666
Energy: 0.454597160404195
Energy: 0.5009772696733491
Energy: 0.456017917803392
Energy: 0.4567554392750587
Energy: 0.500897458087103
Energy: 0.45629262623458317
Energy: 0.4565920776846618
Energy: 0.5012193913623264
Energy: 0.49738745521921995
Energy: 0.5010040459905025
Energy: 0.5028000186171421
Energy: 0.5309624019199214
Energy: 0.5009572392408358
Energy: 0.6585354377505052
Energy: 0.4868569063259151
Energy: 0.4930557574194242
Energy: 0.5239679282753744
Energy: 0.4589455280427617
Energy: 0.49221387539590494
Energy: 0.6137817500755781
Energy: 0.5278940823083833
Energy: 0.5277631071587375
Energy: 0.4626989494969105
Energy: 0.5279045920347489
Energy: 0.47094903921603803
Energy: 0.4788701405143046
Energy: 0.5277842238319486
Energy: 0.4769470850807783
Energy: 0.46251678338218233
Energy: 0.5277904023604671
Energy: 0.46590191637832845
Energy: 0.5719865405641269
Energy: 0.4791345814321551
Energy: 0.47891956013236686
Energy: 0.509215801190339
Energy: 0.5105408209467805
Energy: 0.4787252100376797
Energy: 0.5735288836337578
Energy: 0.48248484050860313
Energy: 0.5118059247757056
Energy: 0.5750436515893411
Energy: 0.4847636780913168
Energy: 0.5710925613383252
Energy: 0.6984562573169083
Energy: 0.4726224242661211
Energy: 0.48235878273361416
Energy: 0.5450015556250452
Energy: 0.47234531776736677
Energy: 0.4818433951568164
Energy: 0.6960269753922176
Energy: 0.5441835348247991
Energy: 0.5445249595901765
Energy: 0.5441052943797219
Energy: 0.5461175817101611
Energy: 0.5070022555590729
Energy: 0.48728900046651974
Energy: 0.6436092642950533
Energy: 0.5128615040923313
Energy: 0.4771699827194149
Energy: 0.6432586798397657
Energy: 0.5028495030807872
Energy: 0.6404502654887793
Energy: 0.562262961927188
Energy: 0.5560974661667086
Energy: 0.5495928311807019
Energy: 0.5680303897834137
Energy: 0.5420086193028475
Energy: 0.6966032566102967
Energy: 0.5136114646401814
Energy: 0.5127472570633753
Energy: 0.5485219627910854
Energy: 0.6604809584751806
Energy: 0.5981770981354184
Energy: 0.7402216702236228
Energy: 0.49611262915077814
Energy: 0.5197698157743258
Energy: 0.611737260213764
Energy: 0.4955886500441974
Energy: 0.5539020389485556
Energy: 0.6875059253722596
Energy: 0.5689926877079171
Energy: 0.5558708996748579
Energy: 0.5979972379610349
Energy: 0.6120205707179847
Energy: 0.5529411325337475

minimum gb energy = 0.452087341763478 eV
minimum distance =  2.38278111729315 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.029167873686426225
Energy: 1.0268533200225067
Energy: 0.029474823532007408
Energy: 0.031170911867200935
Energy: 0.031233429121812713
Energy: 0.030000805174777483
Energy: 0.06505843115514519
Energy: 0.031257658360069926
Energy: 0.03149781774646306
Energy: 0.06632510660899
Energy: 0.03515242544294556
Energy: 0.031320780158613254
Energy: 0.06452642332526966
Energy: 0.029748401952242386
Energy: 0.0297220245326223
Energy: 0.06433944368794044
Energy: 0.02978847942818429
Energy: 0.0641208592533774
Energy: 0.032475782577708986
Energy: 0.029773828344241426
Energy: 0.0298694532292595
Energy: 0.03541678365608555
Energy: 0.02981174489197422
Energy: 0.06456587877417187
Energy: 0.06404598357777555
Energy: 0.0648574249869938
Energy: 0.06499568016957297
Energy: 0.06494950717961932
Energy: 0.06481424188831718
Energy: 0.06529235701347808
Energy: 0.03040598754292366
Energy: 0.03169435357196592
Energy: 0.029911889781915182
Energy: 0.03192621718455253
Energy: 0.031746753516792084
Energy: 0.029973118226727945
Energy: 0.06483297958622418
Energy: 0.03135053811538976
Energy: 0.03149872678742992
Energy: 0.06503681005846979
Energy: 0.03365691387174311
Energy: 0.031565740842254934
Energy: 0.06471237503286323
Energy: 0.029965621498981833
Energy: 0.02996537328930502
Energy: 0.06500189189689708
Energy: 0.02981209677124244
Energy: 0.06616964265256468
Energy: 0.032485970280314386
Energy: 0.03009993862796493
Energy: 0.06637793220825589
Energy: 0.03354663532476398
Energy: 0.029860136192697444
Energy: 0.06595971657913437
Energy: 0.02955986769588813
Energy: 0.06431719993539871
Energy: 0.06425856127897978
Energy: 0.029652212728604098
Energy: 0.06440239721732703
Energy: 0.06443271255440672

minimum gb energy = 0.029167873686426225 eV
minimum distance =  2.51174165557352 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.5837405553429639
Energy: 0.5940280769010475
Energy: 0.5686389850233752
Energy: 0.5430186461873747
Energy: 0.5637365444951241
Energy: 0.5453489415744961
Energy: 0.5875689181440549
Energy: 0.5701237709437406
Energy: 0.5697217139860694
Energy: 0.5707463146793353
Energy: 0.5727407515063982
Energy: 0.5747632116356505
Energy: 0.5892215656923431
Energy: 0.5492021409882843
Energy: 0.548929415191657
Energy: 0.5716578249504185
Energy: 0.5479072622114733
Energy: 0.5612850419453128
Energy: 0.5540898418238295
Energy: 0.5495217964524477
Energy: 0.5492580607433376
Energy: 0.5534912414425367
Energy: 0.4961089804096052
Energy: 0.5621557667914806
Energy: 0.5064760400597448
Energy: 0.5745666931900952
Energy: 0.5758643419544
Energy: 0.5067225028113395
Energy: 0.5700696259598311
Energy: 0.5752633722259245
Energy: 0.5456609217058425
Energy: 0.5724023272766136
Energy: 0.5611779264022336
Energy: 0.4693101471074234
Energy: 0.5718809115695945
Energy: 0.5335276372808859
Energy: 0.5742188374638846
Energy: 0.517868108029177
Energy: 0.5647132440408653
Energy: 0.5546844631988548
Energy: 0.5214852109724025
Energy: 0.5525321296363389
Energy: 0.5539118963333595
Energy: 0.5427613617032423
Energy: 0.5430985136204266
Energy: 0.5539757303418816
Energy: 0.5188731478903575
Energy: 0.5224730482264829
Energy: 0.5699356707070408
Energy: 0.5430016534032982
Energy: 0.5679244325007264
Energy: 0.5714321328129522
Energy: 0.4772437541912063
Energy: 0.5685104204968682
Energy: 0.52590178373534
Energy: 0.5157961262330584
Energy: 0.5156475540209833
Energy: 0.5258227366742452
Energy: 0.5192871109229678
Energy: 0.5311479587419515
Energy: 0.5438770742393283
Energy: 0.5509567020852515
Energy: 0.5519310707711822
Energy: 0.4565872219353078
Energy: 0.5517253069090853
Energy: 0.5267410388895882
Energy: 0.4838677986117183
Energy: 0.5552583987870722
Energy: 0.5561947607492398
Energy: 0.48370839918910663
Energy: 0.554574433036738
Energy: 0.48283834847299456
Energy: 0.48342458323032034
Energy: 0.5158391564262316
Energy: 0.5332286698769058
Energy: 0.4836478967108025
Energy: 0.4473798483029978
Energy: 0.4861015796370365
Energy: 0.5413405829377637
Energy: 0.5104575860144955
Energy: 0.5349459488974077
Energy: 0.5067083410394261
Energy: 0.5018428104551529
Energy: 0.535454402280813
Energy: 0.5379374533831167
Energy: 0.4601970523614186
Energy: 0.4599889475533728
Energy: 0.535616048747593
Energy: 0.4640840613597558
Energy: 0.4594987412028597
Energy: 0.5353867823423263
Energy: 0.5231329022021679
Energy: 0.5221925585359481
Energy: 0.5204170523999933
Energy: 0.5316214539350058
Energy: 0.5224862958979042
Energy: 0.4547037334998261
Energy: 0.5234857597770143
Energy: 0.5217713940459547
Energy: 0.4495357073706868
Energy: 0.5211564331023938
Energy: 0.44845304888954873
Energy: 0.4488770178849062
Energy: 0.5164570207190113
Energy: 0.5170437797932153
Energy: 0.44905319106133634
Energy: 0.45218381881560554
Energy: 0.5176821919722755
Energy: 0.5278974439954243
Energy: 0.48694930249958435
Energy: 0.5164887160095654
Energy: 0.488757750403348
Energy: 0.4856043209167405
Energy: 0.5165497373528843
Energy: 0.5320210045183852
Energy: 0.4484675202447899
Energy: 0.448107627692053
Energy: 0.5322982400443088
Energy: 0.45499966250334273
Energy: 0.44806122973564855
Energy: 0.5315791193430419
Energy: 0.5201176747652848
Energy: 0.5230881116102136
Energy: 0.5314507346351355
Energy: 0.5378938416094721
Energy: 0.5216707838814425
Energy: 0.4637537552096064
Energy: 0.5207050347841816
Energy: 0.5207470864945843
Energy: 0.46217540003791635
Energy: 0.5216420371278502
Energy: 0.46017224678674074
Energy: 0.4607719311688693
Energy: 0.5322037569063548
Energy: 0.5322225632184209
Energy: 0.4608285042673218
Energy: 0.5313402416202131
Energy: 0.5323975704237067
Energy: 0.5393157258618362
Energy: 0.4840056012574241
Energy: 0.5141375941714483
Energy: 0.5236583806707067
Energy: 0.48325144049523655
Energy: 0.5227570701069091
Energy: 0.5596132249147822
Energy: 0.4840823257262834
Energy: 0.4833631264784357
Energy: 0.5597480566521119
Energy: 0.48823752475290977
Energy: 0.4831124505733347
Energy: 0.5541432476430653
Energy: 0.5369283233625234
Energy: 0.5369681989838005
Energy: 0.5546092730871065
Energy: 0.5152170952258732
Energy: 0.5515222474873207
Energy: 0.5183706263364765
Energy: 0.5363016614131139
Energy: 0.5367213556895928
Energy: 0.517674118832778
Energy: 0.5569969212155601
Energy: 0.5159505611985191
Energy: 0.4938491843317818
Energy: 0.5739682034478438
Energy: 0.5735076676082437
Energy: 0.4938185072831117
Energy: 0.5859861537620098
Energy: 0.5729690748945675
Energy: 0.5480005700232562
Energy: 0.5546246547692568
Energy: 0.5456103680662441
Energy: 0.4607867786497242
Energy: 0.5547185383087406
Energy: 0.5303740066238652
Energy: 0.5179343382597722
Energy: 0.5589167862961795
Energy: 0.5598151720647649
Energy: 0.5177849255746776
Energy: 0.5596611956314851
Energy: 0.5541333298029805
Energy: 0.5555674734823811
Energy: 0.5476670637272867
Energy: 0.547992463665984
Energy: 0.555299140564436
Energy: 0.5200780461148607
Energy: 0.5486507231869925
Energy: 0.5888530618517657
Energy: 0.5442614815110711
Energy: 0.5779678760546276
Energy: 0.5689357375984498
Energy: 0.4867407459328684
Energy: 0.5744498007359604
Energy: 0.5182118245840363
Energy: 0.5533413284804094
Energy: 0.5524201359425968
Energy: 0.5180190954690854
Energy: 0.5597672271630256
Energy: 0.544069061342005

minimum gb energy = 0.4473798483029978 eV
minimum distance =  2.34847310920985 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.7068284443355484
Energy: 0.7035946893536815
Energy: 0.6957792270341734
Energy: 0.6787874554511694
Energy: 0.699776963813217
Energy: 0.6978018145836777
Energy: 0.6818714684221492
Energy: 0.6961932197818267
Energy: 0.6911581815794087
Energy: 0.6945573559142746
Energy: 0.6989956409355678
Energy: 0.6935868815160084
Energy: 0.7152459077741523
Energy: 0.6724846863292682
Energy: 0.6825441775346304
Energy: 0.6929559150732686
Energy: 0.6730517820409612
Energy: 0.6832946830454694
Energy: 0.6662586384316433
Energy: 0.6836162889391447
Energy: 0.6814282481746758
Energy: 0.6662324865968378
Energy: 0.6803441607659749
Energy: 0.682530293644867
Energy: 0.6572829396780213
Energy: 0.6933284690075309
Energy: 0.696027388533092
Energy: 0.6573622876070969
Energy: 0.7055771048823961
Energy: 0.6929696357161254
Energy: 0.6655693923536026
Energy: 0.6876768522658752
Energy: 0.6759471108643635
Energy: 0.6122725045631952
Energy: 0.6878808899819848
Energy: 0.6759965573340537
Energy: 0.6692744878104471
Energy: 0.6681773050554044
Energy: 0.6641383416804709
Energy: 0.6695878147044554
Energy: 0.6661237428736744
Energy: 0.6630767924113733
Energy: 0.6665531696115717
Energy: 0.6591393990026634
Energy: 0.6647238183767482
Energy: 0.6605955736943233
Energy: 0.5835164756310699
Energy: 0.6622505373479651
Energy: 0.6782268044400421
Energy: 0.6830488563605531
Energy: 0.6863413701923654
Energy: 0.6822056491377341
Energy: 0.6114693137501931
Energy: 0.6872937656192184
Energy: 0.6809354221461467
Energy: 0.6159939390506352
Energy: 0.6114800319333901
Energy: 0.6800505339593409
Energy: 0.6137183655706372
Energy: 0.61242378187643
Energy: 0.6764390423135853
Energy: 0.6669896011399424
Energy: 0.6662075455308855
Energy: 0.5840660875609714
Energy: 0.6630070885515071
Energy: 0.6675074135394339
Energy: 0.5894504405247517
Energy: 0.6663164867588057
Energy: 0.6654506375655872
Energy: 0.5903959889605189
Energy: 0.6324084091187735
Energy: 0.582121287705321
Energy: 0.5822416566354532
Energy: 0.6590528063359755
Energy: 0.6574166729980405
Energy: 0.5822164079811453
Energy: 0.5860490636512097
Energy: 0.5816922910033873
Energy: 0.6610083848205265
Energy: 0.6600997592750271
Energy: 0.6567300719818677
Energy: 0.5840552675063245
Energy: 0.6272318907882819
Energy: 0.655993457656979
Energy: 0.6616987476770576
Energy: 0.5867829159159828
Energy: 0.5827039241852022
Energy: 0.6627035043240467
Energy: 0.5854891103413582
Energy: 0.5827216475270363
Energy: 0.6624747758564072
Energy: 0.6686372114282828
Energy: 0.6650592454571812
Energy: 0.6346750454749417
Energy: 0.6341285465230911
Energy: 0.6630736577107095
Energy: 0.6176981377314918
Energy: 0.6576921369502999
Energy: 0.654664445195753
Energy: 0.6187037790027167
Energy: 0.5773625472796241
Energy: 0.6105955788977193
Energy: 0.6103801015149559
Energy: 0.684835902137032
Energy: 0.6875506416793102
Energy: 0.6103390329562073
Energy: 0.6845999905583999
Energy: 0.6137309110515433
Energy: 0.6586838665540454
Energy: 0.6778258822526635
Energy: 0.6691608360164063
Energy: 0.5933590929850482
Energy: 0.6774750477360926
Energy: 0.6689790944016502
Energy: 0.6633034615619409
Energy: 0.6657710202285751
Energy: 0.6621856424379481
Energy: 0.6612609899549128
Energy: 0.6659849311975862
Energy: 0.661233514760406
Energy: 0.665330210214129
Energy: 0.6892856144895598
Energy: 0.6859732934258632
Energy: 0.6657654504955121
Energy: 0.6658421924337211
Energy: 0.6881808042755649
Energy: 0.714530286819773
Energy: 0.6639416696319409
Energy: 0.6850513480322027
Energy: 0.6923107260235314
Energy: 0.6638662010910412
Energy: 0.688574767415087
Energy: 0.6819229328534764
Energy: 0.6685683101020471
Energy: 0.6721787494819049
Energy: 0.682144101708792
Energy: 0.6653125405252486
Energy: 0.6616385981024032

minimum gb energy = 0.5773625472796241 eV
minimum distance =  2.34726905254076 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.822643355960252
Energy: 0.8173706293070024
Energy: 0.8103281919730809
Energy: 0.7763575336700265
Energy: 0.804678324403659
Energy: 0.7788485859716876
Energy: 0.7654401381278391
Energy: 0.7338552478437843
Energy: 0.732821002565281
Energy: 0.7309731285935404
Energy: 0.7343564612641554
Energy: 0.6834284113541845
Energy: 0.8146648151668078
Energy: 0.7587373494788872
Energy: 0.7748496330286747
Energy: 0.7880513577234063
Energy: 0.7696307286644457
Energy: 0.774653482809516
Energy: 0.7342087345159628
Energy: 0.7808791670797934
Energy: 0.7819291527197315
Energy: 0.7343115460995714
Energy: 0.7301984779631813
Energy: 0.7768676871523714
Energy: 0.7331588647183324
Energy: 0.7364772461561312
Energy: 0.6831313393102362
Energy: 0.7333415660929786
Energy: 0.7367469297209885
Energy: 0.6838844029021574
Energy: 0.7692616599427866
Energy: 0.6779377225255376
Energy: 0.6782506621888136
Energy: 0.6791103230223083
Energy: 0.6776485112813547
Energy: 0.7558331151823471
Energy: 0.7341115859746044
Energy: 0.6780135617986699
Energy: 0.6776003968089361
Energy: 0.7337692856579298
Energy: 0.677764758227458
Energy: 0.7289860061572089
Energy: 0.7345732050222102
Energy: 0.6758403211422263
Energy: 0.7138445095172856
Energy: 0.7348311666751685
Energy: 0.6815795439325306
Energy: 0.6844901988897358
Energy: 0.7578801955938884
Energy: 0.7306434323338054
Energy: 0.7692627379348289
Energy: 0.6839293441531032
Energy: 0.6778336303152221
Energy: 0.7655481464463971
Energy: 0.7571381431357954
Energy: 0.6822440354507038
Energy: 0.6774440612136344
Energy: 0.7579639106419039
Energy: 0.6779641132862727
Energy: 0.6775729604949826
Energy: 0.7183191994924574
Energy: 0.6772059811676937
Energy: 0.7536299022419759
Energy: 0.6800964398086544
Energy: 0.7163122465547216
Energy: 0.7523992183161738
Energy: 0.6787647298581524
Energy: 0.7104871091924309
Energy: 0.7536077804750998
Energy: 0.67861889336595
Energy: 0.7535956481603598
Energy: 0.6789442405627819
Energy: 0.6771957759261789
Energy: 0.7631800004436312
Energy: 0.7659466058490876
Energy: 0.6770390708960324
Energy: 0.6832701174169489
Energy: 0.6770664451778928
Energy: 0.761051446102089
Energy: 0.6831614259362758
Energy: 0.682024193636871
Energy: 0.6623940119292223
Energy: 0.7164682854199647
Energy: 0.7450280964670029
Energy: 0.6577107268622032
Energy: 0.7340515814299822
Energy: 0.6826415172121537
Energy: 0.6583342887934188
Energy: 0.7345700912285885
Energy: 0.6848645456432425
Energy: 0.6839560568753715
Energy: 0.6590471864333164
Energy: 0.6594398857758959
Energy: 0.6836384607441047
Energy: 0.6901529025156762
Energy: 0.6821630220824604
Energy: 0.8149231163781131
Energy: 0.689541191563329
Energy: 0.659342586585276
Energy: 0.7880387900711993
Energy: 0.6951539156304529
Energy: 0.6600587056270601
Energy: 0.8331460062433463
Energy: 0.7330886134836008
Energy: 0.7317253632346372
Energy: 0.7308702228531848
Energy: 0.7338154079366198
Energy: 0.7896160612339006
Energy: 0.7711392939315421
Energy: 0.7362207485575224
Energy: 0.7906951065489229
Energy: 0.6862968243314045
Energy: 0.7359824993883171
Energy: 0.7595494135707932
Energy: 0.7651442749101076
Energy: 0.7347864971534975
Energy: 0.7333028069981561
Energy: 0.765307351039886
Energy: 0.736776316134547
Energy: 0.6834814753740598
Energy: 0.8172999687668646
Energy: 0.7666530294483693
Energy: 0.7804822137610938
Energy: 0.7885879588751611
Energy: 0.7783258539868184
Energy: 0.7815323923799121
Energy: 0.7880217516286956
Energy: 0.7580533151483039
Energy: 0.7290984791514328
Energy: 0.7888685893163843
Energy: 0.7590309093221229
Energy: 0.7296186149141337
Energy: 0.7334648430867476
Energy: 0.7331088066115597
Energy: 0.68431759690122
Energy: 0.7335305622540138
Energy: 0.7344640377579714
Energy: 0.6836224551346453
Energy: 0.7689542999331304
Energy: 0.6782193717542824
Energy: 0.6788650099552733
Energy: 0.6764816865280171
Energy: 0.6778816049113443
Energy: 0.7285704105505133
Energy: 0.7332458942703883
Energy: 0.6773503982409723
Energy: 0.6773457328769253
Energy: 0.7334451812379703
Energy: 0.6776182028253966
Energy: 0.786384306707973
Energy: 0.7409685673516706
Energy: 0.6767008504450761
Energy: 0.683591441018657
Energy: 0.735414289089828
Energy: 0.681313812679444
Energy: 0.6852651007664518
Energy: 0.7569438354094751
Energy: 0.7327884830015751
Energy: 0.7705270290304683
Energy: 0.7167557618143936
Energy: 0.6925106632936046
Energy: 0.7665274607934193
Energy: 0.7572027359287399
Energy: 0.677145112364156
Energy: 0.6767591218627654
Energy: 0.7586543463992883
Energy: 0.6780140657673821
Energy: 0.6773571293729662
Energy: 0.7181268347119003
Energy: 0.7168935838127491
Energy: 0.7302743818075047
Energy: 0.6804971841874264
Energy: 0.7199817603179621
Energy: 0.754282592361751
Energy: 0.6785432267086652
Energy: 0.7493522870400903
Energy: 0.7492140586283831
Energy: 0.6784911947741383
Energy: 0.7482822908230429
Energy: 0.6785246960988167
Energy: 0.6780731590818406
Energy: 0.7627989649948528
Energy: 0.6780233209547875
Energy: 0.6777032638683267
Energy: 0.6833512464322018
Energy: 0.677225998800665
Energy: 0.6583391554363697
Energy: 0.6829502408068387
Energy: 0.7139445729213931
Energy: 0.6641438846902836
Energy: 0.7605596557004926
Energy: 0.7496292695617651
Energy: 0.6598548064688441
Energy: 0.7331362535643123
Energy: 0.6858798907510408
Energy: 0.6604206824278965
Energy: 0.7356200059208964
Energy: 0.684927512780268
Energy: 0.6841806964999259
Energy: 0.7506571294503187
Energy: 0.7283873824502628
Energy: 0.683549311989542
Energy: 0.6898515164038485
Energy: 0.6855593863313189
Energy: 0.8663046118504218
Energy: 0.6900750897830843
Energy: 0.6597201238071982
Energy: 0.8654944646376188
Energy: 0.6565021124912822
Energy: 0.659354409051826
Energy: 0.8133888956327147
Energy: 0.7371707400613122
Energy: 0.7344170564382376
Energy: 0.7315878898991175
Energy: 0.7350864113413045
Energy: 0.6817776864805974
Energy: 0.7701656919362648
Energy: 0.7364650488673063
Energy: 0.7881932434511506
Energy: 0.6923361220218188
Energy: 0.736092559878296
Energy: 0.759242807122892

minimum gb energy = 0.6565021124912822 eV
minimum distance =  2.36324569050132 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.9492188600361744
Energy: 0.9023713346984449
Energy: 0.9024079269055366
Energy: 0.7844594940641348
Energy: 0.8280297545587827
Energy: 0.9027660017873178
Energy: 0.8498710290120857
Energy: 0.8323544374841418
Energy: 0.8327609780630952
Energy: 0.830284694139445
Energy: 0.8318628323111152
Energy: 0.805059800813823
Energy: 0.944827806339187
Energy: 0.7866935737618298
Energy: 0.8002637407275237
Energy: 0.8295898542476904
Energy: 0.7910603699908206
Energy: 0.8290573131004555
Energy: 0.8291744862032082
Energy: 0.7864233523495752
Energy: 0.8008744801222272
Energy: 0.8291193472513739
Energy: 0.7876016817632705
Energy: 0.8132681050475467
Energy: 0.8114638884993473
Energy: 0.8333922128828389
Energy: 0.8338675413645856
Energy: 0.8115375792754743
Energy: 0.8325634340243064
Energy: 0.8042279118852556
Energy: 0.833327024511279
Energy: 0.8632387980994799
Energy: 0.8033030972818476
Energy: 0.822813957603394
Energy: 0.8635516586447114
Energy: 0.786146461369131
Energy: 0.8107997394425853
Energy: 0.7865887562503773
Energy: 0.8020376663665164
Energy: 0.8107980069044921
Energy: 0.7863410260486968
Energy: 0.7893238564931869
Energy: 0.8131287385252235
Energy: 0.7853138682606534
Energy: 0.7918763972046642
Energy: 0.8141377484448612
Energy: 0.791703240189186
Energy: 0.8111708567527047
Energy: 0.8728801902497063
Energy: 0.7884158050137998
Energy: 0.7864545188418308
Energy: 0.8773202153783007
Energy: 0.8401527235114321
Energy: 0.7853377404261292
Energy: 0.8380822645918714
Energy: 0.8165324452431906
Energy: 0.8109125621479198
Energy: 0.8258450656814894
Energy: 0.8121387318959434
Energy: 0.7858359269879156
Energy: 0.8980064802780795
Energy: 0.8326906995988141
Energy: 0.787034472668406
Energy: 0.8977280542174534
Energy: 0.7688552915318589
Energy: 0.78811307007339
Energy: 0.937186170144427
Energy: 0.7695051647611009
Energy: 0.770394934248931
Energy: 0.9374766609344536
Energy: 0.7691135236908304
Energy: 0.8268455729402073
Energy: 0.9500027702795034
Energy: 0.8127927798974826
Energy: 0.8301016857380961
Energy: 0.8302999181465637
Energy: 0.8111229493852907
Energy: 0.8046905412548796
Energy: 0.7691786912978823
Energy: 0.8299774966402889
Energy: 0.7697643815840657
Energy: 0.7742414093601496
Energy: 0.830026055804357
Energy: 0.7703012946703477

minimum gb energy = 0.7688552915318589 eV
minimum distance =  2.36407357019746 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.3655827291595952
Energy: 1.1804260943445524
Energy: 0.9651486427398904
Energy: 0.9488798710212192
Energy: 0.946080343504394
Energy: 0.9228778651388995
Energy: 1.0107406087487358
Energy: 0.9064969479705675
Energy: 0.905729528928162
Energy: 0.9522128530544626
Energy: 0.9065621076025517
Energy: 0.8968519894517203
Energy: 0.9905464329217275
Energy: 0.9329583424017125
Energy: 0.9273279121641453
Energy: 1.0083145380418475
Energy: 0.924788427664151
Energy: 0.9296929709812323
Energy: 0.9532037818953772
Energy: 0.8943281045308402
Energy: 0.9240646694555305
Energy: 0.9197295306813154
Energy: 0.8946379252591705
Energy: 0.920994536746226
Energy: 0.9411072989800978
Energy: 0.9062932390933275
Energy: 0.906030387781489
Energy: 0.9204436423319537
Energy: 0.9083527004942765
Energy: 0.9080570557671954
Energy: 0.9678631657982518
Energy: 0.9217566018457868
Energy: 0.9138968318444554
Energy: 0.942195468258846
Energy: 0.9218255574282158
Energy: 0.9247688778250146
Energy: 0.9225070163375712
Energy: 0.924061402897423
Energy: 0.9265991648252191
Energy: 0.9221872066285297
Energy: 0.9333667461978007
Energy: 0.9176640737579267
Energy: 0.9214279423682484
Energy: 0.9037152998424745
Energy: 0.9052772437772971
Energy: 0.905823435625348
Energy: 0.9541208741321932
Energy: 0.9062829246364773
Energy: 0.922339396320411
Energy: 0.9389210029272925
Energy: 0.9283761844349632
Energy: 0.9092959763163293
Energy: 0.9259353417898678
Energy: 0.9238555143912321
Energy: 0.9212430600316829
Energy: 0.9388196300736937
Energy: 0.930548936739899
Energy: 0.9095399104189406
Energy: 0.9265932818527686
Energy: 0.9008556318477681
Energy: 0.9214582483518026
Energy: 0.9163698376229782
Energy: 0.9056011249790952
Energy: 0.9058421777224526
Energy: 0.9170107499606182
Energy: 0.9060344148600799
Energy: 0.9080602418477528
Energy: 0.9262600923180448
Energy: 0.9369608837997856
Energy: 0.908589341355459
Energy: 0.9242563805770277
Energy: 0.9648285380277519
Energy: 0.9055522630642622
Energy: 0.9209270858162666
Energy: 0.9193993012549555
Energy: 0.9055836561290386
Energy: 0.9542509633317074
Energy: 0.904272674636377
Energy: 0.9298603686628976
Energy: 0.9856601857910295
Energy: 0.9391400203387722
Energy: 0.9376079201270354
Energy: 0.9905076910720308
Energy: 0.9279560475729439
Energy: 0.8957392152566774
Energy: 0.9137137634414865
Energy: 0.8966630386755492
Energy: 0.8962782419466983
Energy: 0.9278530539125673
Energy: 0.8963769061647631
Energy: 0.8964826498576097
Energy: 0.9553970050384571
Energy: 0.896274310391416
Energy: 0.8977634792374642
Energy: 0.9133492083053059
Energy: 0.8961692433667225
Energy: 0.8956155327826032
Energy: 0.9386745268300634
Energy: 0.9367317658384584
Energy: 0.8958539670295658
Energy: 0.9089144516197049
Energy: 0.9363350873108551
Energy: 0.949116391558333
Energy: 0.9785812174976014
Energy: 0.9623016975612916
Energy: 0.9221026681154455
Energy: 0.979274897473258
Energy: 0.9218027598747462
Energy: 0.9213871150758014
Energy: 0.909239928956405
Energy: 0.9095175227330018
Energy: 0.9216464265110297
Energy: 0.9202096556672112
Energy: 0.9205318968959559
Energy: 0.9348147569100452
Energy: 0.9359733420316771
Energy: 0.9226400212520862
Energy: 0.9301643697151233
Energy: 0.9342437393081805
Energy: 0.9292981405565982
Energy: 0.977035660473953
Energy: 0.8964821874706624
Energy: 0.9274245571341688
Energy: 0.931509704619028
Energy: 0.9136695827045878
Energy: 0.9244837464884259
Energy: 0.9196333798542562
Energy: 0.9239460228138083
Energy: 0.9234152794316561
Energy: 0.9033326336842664
Energy: 0.9302965480024128
Energy: 0.9235099180992652
Energy: 0.9307938999236947
Energy: 0.9296186242568542
Energy: 0.927006310342862
Energy: 0.9385527930637065
Energy: 0.9282960859051342
Energy: 0.9271907152798412
Energy: 0.9853444959810712
Energy: 0.9216534691226625
Energy: 0.9363783718272501
Energy: 0.9199980908055758
Energy: 0.9217527189234624
Energy: 0.921199672326854
Energy: 0.9766683485226748
Energy: 0.9242845369232607
Energy: 0.92427663826321
Energy: 0.9780213057398494
Energy: 0.9066164697908764
Energy: 0.9302807362689475
Energy: 0.9847807449862876
Energy: 0.9065344329593605
Energy: 0.935613146849442
Energy: 0.9162628801832378
Energy: 0.8964177206312689
Energy: 0.8995128854978724
Energy: 0.9828134965887829
Energy: 0.8956010081352537
Energy: 0.8955097714341441
Energy: 0.9141219596115131
Energy: 0.8981686321590963
Energy: 0.8961888220739538
Energy: 0.9639188058152204
Energy: 0.9204170714177042
Energy: 0.8969019766518916
Energy: 0.9141034467302248
Energy: 0.9057669957451976
Energy: 0.8967848460418306
Energy: 0.9815931809638152
Energy: 0.9238177964043873
Energy: 0.9243941516520293
Energy: 0.981842910867618
Energy: 0.9159817560249637
Energy: 0.9253157016854611
Energy: 1.0629888216887033
Energy: 0.9061084146396512
Energy: 0.9041992561010622
Energy: 0.9544190124290368
Energy: 0.9055551590350962
Energy: 0.9225011999332399
Energy: 0.9469204184808474
Energy: 0.9115711909652653
Energy: 0.9400023634243392
Energy: 0.9346481819034363
Energy: 0.9088022608931787
Energy: 0.928194533604582

minimum gb energy = 0.8943281045308402 eV
minimum distance =  2.35719910122742 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.2424676399337067
Energy: 1.027860449180817
Energy: 1.0219996322912583
Energy: 1.0245298280087818
Energy: 1.3479158557408968
Energy: 1.0230756226925743
Energy: 0.9607577251914314
Energy: 0.9249877062511688
Energy: 0.9127261047073052
Energy: 0.9271095330015044
Energy: 0.9213127345753759
Energy: 0.9085313078830969
Energy: 0.9674099287888199
Energy: 0.9394322936242424
Energy: 0.91065931066244
Energy: 0.9646374932207585
Energy: 0.9137808051119817
Energy: 0.9158065038176062
Energy: 0.9566394083303456
Energy: 0.9223258963976815
Energy: 0.907703844949385
Energy: 0.9574553902049785
Energy: 0.91279461887031
Energy: 0.9077002445842492
Energy: 0.9177503424079555
Energy: 0.9201126289898972
Energy: 0.9081536594337257
Energy: 0.9186709392827078
Energy: 0.9167545716652851
Energy: 0.9087070639059142
Energy: 0.9172329906597316
Energy: 0.9660183063512467
Energy: 0.9652950029501876
Energy: 0.9215496030375562
Energy: 0.9678190415762445
Energy: 0.9559750441076759
Energy: 0.96625750192767
Energy: 0.9432721618210524
Energy: 0.9469807443175855
Energy: 0.9675034856473711
Energy: 0.9366850987239265
Energy: 0.9649233285393449
Energy: 0.9645881805213722
Energy: 0.9218083072321608
Energy: 0.9122204799636454
Energy: 0.9201719259341924
Energy: 0.9164652314695504
Energy: 0.9078822316772681
Energy: 0.8852045335833287
Energy: 0.9608515288152949
Energy: 0.9345470804650314
Energy: 0.8857592376575085
Energy: 0.9569779818101523
Energy: 0.9412534455445656
Energy: 0.9383869989465375
Energy: 0.9616668300953525
Energy: 0.9360340528367163
Energy: 0.8860782085278329
Energy: 0.965235458251303
Energy: 0.9426868936144085
Energy: 0.9642973943777491
Energy: 0.9233689581822896
Energy: 0.9119869071720844
Energy: 0.9204888734879876
Energy: 0.9147666867329842
Energy: 0.9073264253270341
Energy: 0.9567138269898391
Energy: 0.985946009280278
Energy: 0.9880602843197712
Energy: 0.9574977600735712
Energy: 0.9898620105000271
Energy: 0.9562219827123564
Energy: 0.9264391938683622
Energy: 0.9248465809599208
Energy: 0.9077139727744054
Energy: 0.9175238016091309
Energy: 0.9191629262393604
Energy: 0.9077118915684412
Energy: 0.9159303388337947
Energy: 0.9653507230959633
Energy: 0.9568722000919704
Energy: 0.9257625244088455
Energy: 0.9657896829138829
Energy: 0.9568328054588162
Energy: 0.9662040406621665
Energy: 0.9357676886390525
Energy: 0.9125254163429914
Energy: 0.9661795243969895
Energy: 0.9331424273300449
Energy: 0.9076200994877118
Energy: 0.9646368824829931
Energy: 0.9372986927735275
Energy: 0.9401420285605782
Energy: 0.9658716515661778
Energy: 0.93471597868576
Energy: 0.9579064952883335
Energy: 0.8855772628525377
Energy: 0.9233290099053897
Energy: 0.9135506932028875
Energy: 0.8857293275441088
Energy: 0.9224884482658351
Energy: 0.9100350545488295

minimum gb energy = 0.8852045335833287 eV
minimum distance =  2.36005495339099 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.492105455276416
Energy: 1.0288598650789715
Energy: 0.9826799784034411
Energy: 1.0083650012436218
Energy: 1.0247075536003178
Energy: 1.0659079874222341
Energy: 0.996103264266711
Energy: 0.9884096242118341
Energy: 0.9704624925772326
Energy: 0.9679746540457291
Energy: 0.9841792676846314
Energy: 0.9715544673682449
Energy: 1.0185755979345337
Energy: 0.9670466622911086
Energy: 0.969289335111823
Energy: 1.0189272572849286
Energy: 0.9653649592617112
Energy: 0.9730289248198636
Energy: 0.962577736183046
Energy: 0.9681777433511716
Energy: 0.992666352442925
Energy: 0.9629496445537449
Energy: 0.9672229795915043
Energy: 0.9694385192381126
Energy: 1.0074668110849814
Energy: 0.9404806549426237
Energy: 0.939939912282978
Energy: 0.937570848223712
Energy: 0.9769030726716494
Energy: 0.9384253815729423
Energy: 0.9722742859380683
Energy: 0.9734091905652674
Energy: 0.9713509472066898
Energy: 0.9736750635994356
Energy: 0.9774630302580932
Energy: 0.9713749648711322
Energy: 0.9571147328478045
Energy: 0.9725029312561561
Energy: 0.9540485008534818
Energy: 0.9577906877182674
Energy: 0.9740433450911041
Energy: 0.9545331305212634
Energy: 0.9898713680202599
Energy: 0.9693556366828607
Energy: 0.9752243758357991
Energy: 0.9562997205240594
Energy: 0.9698367215584484
Energy: 0.9770771983422367
Energy: 1.127125714385772
Energy: 0.9417901047881045
Energy: 0.9385283739808208
Energy: 0.992478075637934
Energy: 0.972717518784361
Energy: 0.9851948853193719
Energy: 0.9907004027503054
Energy: 0.9605266624394316
Energy: 0.9379795061576852
Energy: 0.981264555910643
Energy: 0.9574012845836077
Energy: 0.9381926868317056
Energy: 0.9891836730388223
Energy: 0.9600065093356809
Energy: 0.9390114048288261
Energy: 0.956858713127586
Energy: 0.9610254560607099
Energy: 0.9390602363891523
Energy: 0.9893405474473774
Energy: 0.9668122773415212
Energy: 0.9689268068620508
Energy: 0.9754092454505638
Energy: 0.9684666869222054
Energy: 0.9690293996813437
Energy: 1.1520085550396313
Energy: 0.9681596559302622
Energy: 0.9698627050282173
Energy: 0.9797460628737739
Energy: 0.9991325520508979
Energy: 0.9723189675275318
Energy: 0.9848531541758252
Energy: 0.9666880466557416
Energy: 0.9680935280507039
Energy: 0.9778358021385414
Energy: 0.9960103569808565
Energy: 0.9691001022492425
Energy: 0.9895460233096568
Energy: 0.9362285109093073
Energy: 0.9370252512862833
Energy: 0.9754886066584391
Energy: 0.9365810550380681
Energy: 0.9371878065146826
Energy: 0.974283824638978
Energy: 0.9664460004730839
Energy: 0.9357154259250771
Energy: 0.9762580543856864
Energy: 0.9787416524047445
Energy: 0.9361030218735157
Energy: 0.9775118042155344
Energy: 0.9674471318933872
Energy: 0.9845554536115834
Energy: 0.9774120249859382
Energy: 0.9668650169614159
Energy: 0.9710637798870939
Energy: 1.0838348537400644
Energy: 0.9659940260175772
Energy: 0.9371622207828221
Energy: 0.9407124591439999
Energy: 1.0186664412455992
Energy: 0.9371514993988712
Energy: 0.9809483142241845
Energy: 0.9686735926213935
Energy: 0.9706674920819648
Energy: 0.9814624156509736
Energy: 0.9579840710844312
Energy: 0.9709515396457239
Energy: 1.0181865741219926
Energy: 0.9688103975983045
Energy: 0.9704318623108817
Energy: 0.9551812694351337
Energy: 0.9682644418292428
Energy: 0.9740279749961798
Energy: 0.9785720618705513
Energy: 0.9804692176942567
Energy: 0.9703077317870341
Energy: 0.9694163051935317
Energy: 0.978290486252596
Energy: 0.9726046531338411

minimum gb energy = 0.9357154259250771 eV
minimum distance =  2.323555137908 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.9186677767212712
Energy: 0.9960339131713103
Energy: 0.904986838306838
Energy: 0.9185289701136039
Energy: 1.3361695397304056
Energy: 0.9041433477113009
Energy: 0.8978387075934228
Energy: 0.9112685096329807
Energy: 0.9186957542287816
Energy: 0.9211834723989154
Energy: 0.9088805821188236
Energy: 0.9229036004756366
Energy: 0.9137994051424475
Energy: 0.9218692524454182
Energy: 0.9202944245326531
Energy: 0.914399834670285
Energy: 0.9211607067165565
Energy: 0.9208460744201059
Energy: 0.9110465788673227
Energy: 0.9218433360013251
Energy: 0.9141276868377847
Energy: 0.9120818592779102
Energy: 0.9191540153859383
Energy: 0.9180482081128915
Energy: 0.9420495862232439
Energy: 0.9183818760269745
Energy: 0.9158497518891907
Energy: 0.9268296044912568
Energy: 0.9208020240212849
Energy: 0.9157331831653299
Energy: 0.9234479511887459
Energy: 0.9212025401186346
Energy: 0.9220877177480211
Energy: 0.9205746755593323
Energy: 0.9219043293057538
Energy: 0.9209821478156051
Energy: 0.9094599023502409
Energy: 0.9087874374597472
Energy: 0.9075814953898588
Energy: 0.9104657463173871
Energy: 0.9205940016087288
Energy: 0.9058883896076267
Energy: 0.912510784345764
Energy: 0.9394343099752016
Energy: 0.914154414785102
Energy: 0.9104388639864682
Energy: 0.9412675725838676
Energy: 0.9140468453572721
Energy: 1.0682567246784727
Energy: 0.916270039213977
Energy: 0.9175244249166279
Energy: 0.9154232568261885
Energy: 0.9211514020253507
Energy: 0.9204399021695802
Energy: 1.0674574041280829
Energy: 0.9135752325603121
Energy: 0.9191194963211932
Energy: 0.9146580144839327
Energy: 0.9098442444843043
Energy: 0.9213539757521176
Energy: 0.9132339530512693
Energy: 0.9146021638756221
Energy: 0.9138210054059407
Energy: 0.915555467419771
Energy: 0.9267557989701748
Energy: 0.9157201396583825
Energy: 0.9136346548154349
Energy: 0.9213427128735805
Energy: 0.9231856061959065
Energy: 0.9090939738069489
Energy: 0.920640855946776
Energy: 0.9234380706629173
Energy: 0.9198540104227378
Energy: 0.9137429049384658
Energy: 0.9118716437683394
Energy: 0.9046172704012312
Energy: 0.9088837110631205
Energy: 0.9040463967488853
Energy: 0.9205851553038432
Energy: 0.9167816204040412
Energy: 0.920527417751899
Energy: 0.9059187085145654
Energy: 0.911350169443713
Energy: 0.9049081771684746
Energy: 0.91629163059596
Energy: 0.9141148992012088
Energy: 0.91447161800653
Energy: 0.9155177807801249
Energy: 0.9141786944313649
Energy: 0.9207912570823983
Energy: 0.9077115560434447
Energy: 0.9155715974133171
Energy: 0.9209329645169706
Energy: 0.9082594471351402
Energy: 0.9142098548255195
Energy: 0.9186320889815601
Energy: 0.9453394636499222
Energy: 0.9112937256120225
Energy: 0.9144892644959635
Energy: 0.9269437714046502
Energy: 0.9095462280017615
Energy: 0.9143571561159556
Energy: 0.9273754544301429
Energy: 0.9111204498870747
Energy: 0.9166152306352051
Energy: 0.9206744727667784
Energy: 0.910967079944234
Energy: 0.9135550654234726
Energy: 0.9067620113328316
Energy: 0.9033318773560434
Energy: 0.904848987201703
Energy: 0.9076919329948219
Energy: 0.9042977546906218
Energy: 0.9039624922007645
Energy: 0.9144523433551637
Energy: 0.9033499485464799
Energy: 0.9049126825290317
Energy: 0.9160284549885438
Energy: 0.9041332851507041
Energy: 0.9040193737845034
Energy: 0.9162346208453099
Energy: 0.9108844491161185
Energy: 0.9167344745751494
Energy: 0.9198234430087776
Energy: 0.9093923947771356
Energy: 0.9142255014691785
Energy: 0.9232335488298757
Energy: 0.911484134139336
Energy: 0.9218733162894743
Energy: 0.9222932198555794
Energy: 0.9090865691521504
Energy: 0.9220084513880974
Energy: 0.9125876125305266
Energy: 0.9215962286247817
Energy: 0.923334740828645
Energy: 0.9086911317236945
Energy: 0.9207540814387886
Energy: 0.9231937815399661
Energy: 0.9156842242309977
Energy: 0.9142081667916858
Energy: 0.918676895063046
Energy: 0.9158416994832334
Energy: 0.9138930346788625
Energy: 0.9169318250656668
Energy: 0.9206485433098404
Energy: 0.910163111316109
Energy: 0.9206645644466949
Energy: 0.9056754733880723
Energy: 0.9117374151696527
Energy: 0.9047855527976733

minimum gb energy = 0.8978387075934228 eV
minimum distance =  2.3434140707593 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.4441382956005635
Energy: 0.9074146931093263
Energy: 0.9333735775217045
Energy: 0.9445738907966714
Energy: 0.9245764784291294
Energy: 0.9287859179225235
Energy: 0.9553051465394135
Energy: 0.9314058333276166
Energy: 0.9268156343006021
Energy: 0.9345198684105296
Energy: 0.9313737888852898
Energy: 0.9332053141063996
Energy: 0.9629887184200056
Energy: 0.9320959368878134
Energy: 0.934919445073289
Energy: 0.9395190773810194
Energy: 0.9369813676715311
Energy: 0.9232902441177054
Energy: 0.9624504896008912
Energy: 0.9344117190463749
Energy: 0.9351152959907375
Energy: 0.9311294487517844
Energy: 0.9240546066811941
Energy: 0.9343129274126158
Energy: 0.9530164875288883
Energy: 0.9315575459919353
Energy: 0.9271469787862264
Energy: 0.9383414124604309
Energy: 0.939596458020407
Energy: 0.920971731990509
Energy: 0.9628715302791069
Energy: 0.9334543607048607
Energy: 0.9790470548336581
Energy: 0.9311139000439336
Energy: 0.924638900817298
Energy: 0.9341267453100175
Energy: 0.9532485573812638
Energy: 0.9410974402925856
Energy: 0.9375805460962001
Energy: 0.9475623674784612
Energy: 0.9427259770548916
Energy: 0.9344089982046412
Energy: 0.9613102950024511
Energy: 0.9302888700716199
Energy: 0.9230511652343223
Energy: 0.9312145782782772
Energy: 0.9194072716372298
Energy: 0.9229376844987693
Energy: 0.9391735115859386
Energy: 0.9267647200553671
Energy: 0.9346372809213755
Energy: 0.9324662506742194
Energy: 0.9341762540360534
Energy: 0.9342458878696326
Energy: 0.939095715324851
Energy: 0.9480051366317446
Energy: 0.9469289492478181
Energy: 0.9337782392968205
Energy: 0.9485837574072178
Energy: 0.931872891914513
Energy: 0.9613846260884361
Energy: 0.9263612207237614
Energy: 0.9010387746879739
Energy: 0.9398176212218456
Energy: 0.9246531965275985
Energy: 0.9046143989898882
Energy: 0.9535930962543315
Energy: 0.9509811001350823
Energy: 0.9112778942804858
Energy: 0.9368836802030648
Energy: 0.9526039836989963
Energy: 0.9114053669061791
Energy: 0.9741399007609999
Energy: 0.9371510408004291
Energy: 0.9344436042132958
Energy: 0.9512306728111679
Energy: 0.9406919435053737
Energy: 0.9345379104811173
Energy: 1.0034430161794559
Energy: 0.946743170922548
Energy: 0.943366310969136
Energy: 0.9232516125279581
Energy: 0.9475161777440537
Energy: 0.9332755563718127
Energy: 0.95337367052968
Energy: 0.9258065850738388
Energy: 0.9103653087356469
Energy: 0.9183907666843104
Energy: 0.9262841162031438
Energy: 0.9090782769540529
Energy: 0.9536503756390341
Energy: 0.9257444600213969
Energy: 0.9249446916551488
Energy: 0.9103304061926435
Energy: 0.9266155096671106
Energy: 0.9236616567687346
Energy: 0.9521607453131139
Energy: 0.9413661775175959
Energy: 0.9390791953543765
Energy: 0.9224574005595716
Energy: 0.9506901394760411
Energy: 0.9388684181412658
Energy: 0.9840400100372798
Energy: 0.9119859319747209
Energy: 0.9125172150112207
Energy: 0.9221849721540606
Energy: 0.9120789297220246
Energy: 0.9242838124565934
Energy: 0.9690494339978158
Energy: 0.9248873091918769
Energy: 0.9091247149277532
Energy: 0.9387066877589039
Energy: 0.9237772910359067
Energy: 0.9255618111037286
Energy: 0.9583208146830416
Energy: 0.9248592567036161
Energy: 0.9248865254212528
Energy: 0.9394559124419735
Energy: 0.923009598064045
Energy: 0.9257725130460989
Energy: 0.9262842433335606
Energy: 0.9163775457029588
Energy: 0.9237120319912029
Energy: 0.9270347745787766
Energy: 0.9045297102324319
Energy: 0.9250979154672934
Energy: 0.9212878806494712
Energy: 0.8977409223863727
Energy: 0.8975241077679821
Energy: 0.9381125350162709
Energy: 0.8972745828097132
Energy: 0.9114498206121646
Energy: 0.960489736401636
Energy: 0.9376050376793627
Energy: 0.937014196633074
Energy: 0.9618325951677278
Energy: 0.9195139800230103
Energy: 0.9295208784371104
Energy: 0.9630896566109525
Energy: 0.9198650558686775
Energy: 0.9242887934222775
Energy: 0.9519962418990441
Energy: 0.9177610077467108
Energy: 0.9291595060502656
Energy: 0.9883709757069624
Energy: 0.8976183657432346
Energy: 0.8970553462272381
Energy: 0.9264433635717175
Energy: 0.9066407358701635
Energy: 0.9099991447492652
Energy: 0.9532221198338419
Energy: 0.9248647693818606
Energy: 0.923262696820578
Energy: 0.935925020267512
Energy: 0.9368315712749917
Energy: 0.9330143695042797
Energy: 0.9635567663619435
Energy: 0.9311650800152295
Energy: 0.9350790740279387
Energy: 0.9489444757021803
Energy: 0.9321451491415083
Energy: 0.9349122960421435
Energy: 0.9628427388790043
Energy: 0.9371868726866751
Energy: 0.9362924911848169
Energy: 0.9224091827123638
Energy: 0.9312376481585573
Energy: 0.9346962235487916
Energy: 0.9948601692569191
Energy: 0.9800256345922792
Energy: 0.9850994720711632
Energy: 0.9138629230237652
Energy: 0.9771276232480671
Energy: 0.9229293491635426

minimum gb energy = 0.8970553462272381 eV
minimum distance =  2.33209246439334 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.3319085287344354
Energy: 0.9131261925598138
Energy: 0.913226946542157
Energy: 0.8648256893176427
Energy: 0.8953634312907828
Energy: 0.8650394110450177
Energy: 1.0001489770406644
Energy: 0.8915783410219101
Energy: 0.8994178598439967
Energy: 0.8992577385063626
Energy: 0.8938026676348544
Energy: 0.8996915445000818
Energy: 0.9531295213932574
Energy: 0.8991792623404133
Energy: 0.8930495456275603
Energy: 0.892475537129931
Energy: 0.8961193347454623
Energy: 0.893096400673463
Energy: 0.9448460030354899
Energy: 0.8986421909723493
Energy: 0.9012420443993506
Energy: 0.8944301640796198
Energy: 0.9145327883055058
Energy: 0.9022206834416227
Energy: 0.905080202091899
Energy: 0.893547600426921
Energy: 0.8950824451267085
Energy: 0.9080743548718879
Energy: 0.8926269834929951
Energy: 0.9129866555118409
Energy: 0.9511089573557625
Energy: 0.9233601459143771
Energy: 0.9155720283895077
Energy: 0.9516460729298344
Energy: 0.921360450175665
Energy: 0.934969551796897
Energy: 0.942762810930999
Energy: 0.8920611453838617
Energy: 0.891577420167942
Energy: 0.9301331599469896
Energy: 0.8891525674678111
Energy: 0.8906031091348543
Energy: 0.9334347428699508
Energy: 0.8962687958261225
Energy: 0.8999981868032058
Energy: 0.9196754517789242
Energy: 0.9250503522126953
Energy: 0.9010859476280259
Energy: 0.890870852337237
Energy: 0.8912110800183086
Energy: 0.9075175437056402
Energy: 0.8919925489750756
Energy: 0.8908417074099729
Energy: 0.9019655167703134
Energy: 0.8892452833652849
Energy: 0.9033075498383631
Energy: 0.9031381489118806
Energy: 0.8928118740418686
Energy: 0.9043468466030783
Energy: 0.9029279214619476
Energy: 0.9496322506818439
Energy: 0.8855700892927579
Energy: 0.8608231917068351
Energy: 0.8932029619564966
Energy: 0.8728692132463378
Energy: 0.8843742703577657
Energy: 0.9500417062018973
Energy: 0.9027887952644913
Energy: 0.9054605005049735
Energy: 0.8932457271817521
Energy: 0.8926356748169456
Energy: 0.9060429023837387
Energy: 0.9132527768577134
Energy: 0.8919857894387857
Energy: 0.8916197838041011
Energy: 0.8887747682329772
Energy: 0.8916732762400402
Energy: 0.8924039766870291
Energy: 0.9312654246619416
Energy: 0.8940040774239403
Energy: 0.9057880238565569
Energy: 0.888907339687133
Energy: 0.8934833507240745
Energy: 0.9046257620869016
Energy: 0.9490338966676671
Energy: 0.8959884971618264
Energy: 0.9019643471228027
Energy: 0.8967892460927692
Energy: 0.8929583236253468
Energy: 0.9053654581590113
Energy: 0.9498462267883048
Energy: 0.8984978742055816
Energy: 0.8992766484221774
Energy: 0.8922107493950897
Energy: 0.8979708611562561
Energy: 0.8988443756814756
Energy: 0.9157453297301626
Energy: 0.9750059821584074
Energy: 0.9117299525247752
Energy: 0.8650335686704343
Energy: 0.9720503380910437
Energy: 0.8994437162680237
Energy: 1.0006406995306043
Energy: 0.8922030456009965
Energy: 0.891938637107454
Energy: 0.9093272019859663
Energy: 0.89283947677086
Energy: 0.9131451429366112
Energy: 0.9497028842982755
Energy: 0.8942721222243322
Energy: 0.9007410844485172
Energy: 0.8902657877543906
Energy: 0.8920315207733117
Energy: 0.8944222134688083
Energy: 0.9428944703280498
Energy: 0.8948312023381091
Energy: 0.8984151328480714
Energy: 0.8931586266893112
Energy: 0.8924154558431766
Energy: 0.9013413801332968
Energy: 0.907854599688131
Energy: 0.8918503616046575
Energy: 0.8927532073697858
Energy: 0.9115644430739651
Energy: 0.8923784165650547
Energy: 0.9093574265082343
Energy: 0.9376285469917894
Energy: 0.9017227878723448
Energy: 0.900370327006787
Energy: 0.9121733787475828
Energy: 0.8914695277371452
Energy: 0.9002252671641776
Energy: 0.9275356074623193
Energy: 0.8895499665095575
Energy: 0.8902407474580137
Energy: 0.91821539751419
Energy: 0.8893399773729719
Energy: 0.8900813693042542
Energy: 0.9464451058999078
Energy: 0.8939167862162959
Energy: 0.895862543747546
Energy: 0.8926824199887446
Energy: 0.8922530159313121
Energy: 0.8923364266325513
Energy: 0.897371348320676
Energy: 0.8930146924221779
Energy: 0.9008248697772939
Energy: 0.8984564814394822
Energy: 0.890707402742192
Energy: 0.8994042750935933
Energy: 0.890903479873703
Energy: 0.9043506170928095
Energy: 0.9043945697031744
Energy: 0.8924864467705277
Energy: 0.8976353967354848
Energy: 0.9032938576257359
Energy: 0.944236184414682
Energy: 0.8749967585841087
Energy: 0.8815011148996155
Energy: 0.894505460259782
Energy: 0.868628899677527
Energy: 0.9002257735439014
Energy: 0.9512394785389363
Energy: 0.8737020466438827
Energy: 0.879607688603446
Energy: 0.8978233118904185
Energy: 0.8684183859875809
Energy: 0.909275743857949
Energy: 0.9130988995563215
Energy: 0.8938373521166513
Energy: 0.8944452953258918
Energy: 0.8878584150737768
Energy: 0.8983406702186633
Energy: 0.9066002050659692
Energy: 0.9148471295242585
Energy: 0.9043263722766395
Energy: 0.9051328392417445
Energy: 0.8892061065448511
Energy: 0.8944705985628933
Energy: 0.9159486426548458
Energy: 0.9512107131192953
Energy: 0.8954351460962838
Energy: 0.9086990178880937
Energy: 0.8974383249838471
Energy: 0.8914669373823663
Energy: 0.910954984830149
Energy: 0.9495499000161849
Energy: 0.8926870354911309
Energy: 0.8994003166329163
Energy: 0.891113476534336
Energy: 0.8925051592839679
Energy: 0.9015587920663446
Energy: 0.9177019475865364
Energy: 0.8925155597823079
Energy: 0.9064705998841655
Energy: 0.8655407351631398
Energy: 0.8919642332853222
Energy: 0.9098707288765013

minimum gb energy = 0.8608231917068351 eV
minimum distance =  2.32645227106057 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015513084072880535
Energy: 0.016245677126385465
Energy: 0.016184036304318115
Energy: 0.017350034378020213
Energy: 0.7797199818063897
Energy: 0.01602386415075798
Energy: 0.016168369642640103
Energy: 0.12079393044425835
Energy: 0.11893009937607749
Energy: 0.12061540113412532
Energy: 0.12060170456774545
Energy: 0.11885449914870225
Energy: 1.1183182825702604
Energy: 0.7799912025761699
Energy: 0.7783108183655594
Energy: 0.7781302508600281
Energy: 0.7801567248065419
Energy: 0.7778427528865945
Energy: 0.016168369642640103
Energy: 0.12079393044425835
Energy: 0.11893009937607749
Energy: 0.1206154011336763
Energy: 0.12060170456819447
Energy: 0.11885449914870225

minimum gb energy = 0.015513084072880535 eV
minimum distance =  2.50681586721068 Angstroms
sigma value = 1