Model name: model_name=MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.079999998211861
cohesive_energy=2.85022416658719
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.467710339763519e-20, 1.454845277267262e-19, 1.8701727195691798e-19, 2.22369299386128e-19, 2.5308783198981e-19, 2.8009892786241597e-19, 3.04025833714572e-19, 3.2530914812062796e-19, 3.44285328173724e-19, 3.6121232431193395e-19, 3.7629841949767796e-19, 3.8971344445415995e-19, 4.01596788548538e-19, 4.1207181938163e-19, 4.212394740813779e-19, 4.29187872362652e-19, 4.35993918703884e-19, 4.41729711053604e-19, 4.46452927770636e-19, 4.502180428605359e-19, 4.530747237989579e-19, 4.55069433708288e-19, 4.56237420474474e-19, 4.5662034069e-19, 4.56206979118428e-19, 4.54867559452404e-19, 4.524290466154559e-19, 4.486847598217979e-19, 4.43387963869794e-19, 4.362406539055199e-19, 4.26882340186326e-19, 4.1487723066776394e-19, 3.9968539182417596e-19, 3.80651533412256e-19, 3.5695694317203e-19, 3.2758103458763997e-19, 2.91242066351886e-19, 2.46312227004624e-19, 1.90705482568386e-19, 1.217176793203068e-19, 3.58092886405536e-20, -7.172640376857539e-20, -2.0743380880398e-19, -3.8117704734820797e-19, -6.0867491413977e-19, -9.16166255913684e-19, -1.3496671877750638e-18, -1.9939729080783598e-18, -3.01358209618962e-18, -4.74545492871192e-18, -7.9184375782182e-18, -1.4187546464097778e-17, -2.73249622752066e-17, -5.35665327105024e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.00863021969094464
Energy: 0.7097770309403488
Energy: 0.6708226219704615
Energy: 0.7101533627754937
Energy: 0.7092989468736447
Energy: 0.7282586486423527
Energy: 0.7097964147812685
Energy: 0.6491597858107787
Energy: 0.673065083563171
Energy: 0.7098126063071206
Energy: 0.00863021969094464
Energy: 0.7101401471783935
Energy: 0.7092712512431983
Energy: 0.58706622647208
Energy: 0.7097428062497801
Energy: 0.5899012207641746

minimum gb energy = 0.00863021969094464 eV
minimum distance =  2.74326131413192 Angstroms
sigma value = 1


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

Energy: 1.0601838070325778
Energy: 0.9360194707069007
Energy: 0.7129190028674671
Energy: 0.9360194707086651
Energy: 0.9868811297092049
Energy: 0.8929641813730064
Energy: 1.0821315361236974
Energy: 0.8929641813730064
Energy: 0.7008128106479825
Energy: 0.9314083395495727
Energy: 1.1007365042528352
Energy: 0.9314083395501698
Energy: 0.9160454159069733
Energy: 0.9210226843211099
Energy: 1.0773574134546278
Energy: 0.9210226843211099
Energy: 0.898103983004073
Energy: 0.8189093647462903
Energy: 0.6795561537638656
Energy: 0.8189093647450959
Energy: 0.9685321904653409
Energy: 0.7720942657185227
Energy: 0.8604139539510209
Energy: 0.7720942657179255
Energy: 0.709078409488664
Energy: 0.8011467928887679
Energy: 0.9006821598589236
Energy: 0.8011467928869763
Energy: 0.8245606915194924
Energy: 0.7429952678449265
Energy: 0.9847823678441343
Energy: 0.7429952678443293
Energy: 0.7584038184144081
Energy: 0.7864029411870865
Energy: 0.7261152205107217
Energy: 0.7864029411870865
Energy: 0.8883218107691488
Energy: 0.6868237963828131
Energy: 0.8882820594548391
Energy: 0.6868237963685081
Energy: 0.7612162661272279
Energy: 0.7685511510932312
Energy: 0.7281891219208341
Energy: 0.7685511510938284
Energy: 0.8327765869001016
Energy: 0.7054064880764545
Energy: 0.920511864922599
Energy: 0.7054064880776487
Energy: 0.6927574173371422
Energy: 0.9638875609269957
Energy: 0.8222250066450976
Energy: 0.9638875609269957
Energy: 0.960340442222987
Energy: 0.7504226814059439
Energy: 0.9477700185065892
Energy: 0.7504226814047497
Energy: 0.9180858333403522
Energy: 0.8527382221809685
Energy: 0.6506016239178042
Energy: 0.8527382221815657
Energy: 0.8296587921697413
Energy: 0.8250986700110908
Energy: 0.9912383868988365
Energy: 0.8250986700098965
Energy: 0.6748350553142496
Energy: 1.0003276708709772
Energy: 1.033970541235577
Energy: 1.0003276708703799
Energy: 0.933334408385687
Energy: 0.895014726771504
Energy: 1.089723114345463
Energy: 0.895014726772101
Energy: 1.023196482605848
Energy: 0.9565934709301385
Energy: 0.7215392611481536
Energy: 0.9565934709301385
Energy: 0.9659565377272366
Energy: 0.7845196587966996
Energy: 0.8560829366621207
Energy: 0.7845196587190948
Energy: 0.7121757159995944
Energy: 0.9067776931330724
Energy: 0.9020165845816709
Energy: 0.9067776931324754
Energy: 0.8077597673096389
Energy: 0.8120019373886308
Energy: 0.9365486313536826
Energy: 0.8120019373880336
Energy: 0.932033896732221
Energy: 0.8266661641794215
Energy: 0.72226618677921
Energy: 0.8266661641788243
Energy: 0.8439083320815468
Energy: 0.7532264080079492
Energy: 0.765786470305285
Energy: 0.7532264080073519
Energy: 0.745581213419419
Energy: 0.7457310979957241
Energy: 0.7495491786369719
Energy: 0.7457310979963212
Energy: 0.8576586441412632
Energy: 0.7266958474259794
Energy: 0.8738776368883912
Energy: 0.7266958474259794
Energy: 0.7827949865484478
Energy: 0.7718989916727259
Energy: 0.7569221863005999
Energy: 0.7718989916727259
Energy: 0.8491839531108689
Energy: 0.7002772644538011
Energy: 0.9135458024609979
Energy: 0.7002772644549954
Energy: 0.850090760632867
Energy: 0.9223095778997413
Energy: 0.687013768656729
Energy: 0.9223095778997413
Energy: 0.8931186688427569
Energy: 0.7935020121915258
Energy: 0.9159448987554533
Energy: 0.7935020121915258
Energy: 0.6343181014243175
Energy: 0.8771018285865331
Energy: 0.9067000303425112
Energy: 0.8771018285859359
Energy: 0.9426978008187835
Energy: 0.923224348063098
Energy: 0.9295610898285536
Energy: 0.923224348063098
Energy: 1.0654706949030381
Energy: 0.8979070476305258
Energy: 0.7350305217138102
Energy: 0.8979070476275399

minimum gb energy = 0.6343181014243175 eV
minimum distance =  2.54334872211115 Angstroms
sigma value = 1


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

Energy: 1.0310331351306343
Energy: 1.0765049595189478
Energy: 0.7725026962460257
Energy: 1.0765049595196285
Energy: 0.9509301196745898
Energy: 0.8829422930120536
Energy: 1.008635977284597
Energy: 0.8829422929997978
Energy: 0.7547517234919375
Energy: 0.8524235109677638
Energy: 1.0323277239712114
Energy: 0.8524235109677638
Energy: 0.9773872570697735
Energy: 0.9413265771118399
Energy: 1.0465109012307354
Energy: 0.9413265771104782
Energy: 0.9030245854144392
Energy: 0.781608046383048
Energy: 0.6392410553525576
Energy: 0.7816080463837289
Energy: 0.9706248302708098
Energy: 0.7906977528377399
Energy: 0.8495652129934309
Energy: 0.790697752837059
Energy: 0.7450076039790665
Energy: 0.7585420072745155
Energy: 0.8187597046602181
Energy: 0.7585420072745155
Energy: 0.8628234474411275
Energy: 0.7242140246072848
Energy: 0.8062404870565468
Energy: 0.7242140246406169
Energy: 0.7178187315640695
Energy: 0.7858742036424149
Energy: 0.7127428937726252
Energy: 0.7858742036430958
Energy: 0.9285641401628185
Energy: 0.7701491484988329
Energy: 0.9056070580026301
Energy: 0.7701491484995138
Energy: 0.7930698047079439
Energy: 0.7553084390670007
Energy: 0.7896166972106563
Energy: 0.7553084390683625
Energy: 0.8981427590455466
Energy: 0.7821783877410424
Energy: 0.9354321373975709
Energy: 0.7821783877424041
Energy: 0.7184810178410206
Energy: 0.9439616112936715
Energy: 0.9780624210931503
Energy: 0.9439616112936715
Energy: 0.8926117317951908
Energy: 0.816206905287549
Energy: 0.9197359495576939
Energy: 0.8162069052889106
Energy: 1.0531769169413319
Energy: 1.0593876280503862
Energy: 0.7208403533911762
Energy: 1.0593876280503862
Energy: 1.0492028158244286
Energy: 0.9728831912311311
Energy: 1.0358545898083062
Energy: 0.9728831912304502
Energy: 0.7683342682056505
Energy: 1.072686525805398
Energy: 1.001636596947197
Energy: 1.072686525805398
Energy: 0.8194456542339735
Energy: 0.9030501756789873
Energy: 1.0246056381403128
Energy: 0.9030501756783065
Energy: 0.9311438793354128
Energy: 0.8654385284819632
Energy: 0.6941454586180199
Energy: 0.8654385284806325
Energy: 0.9863208747642938
Energy: 0.7717203854585969
Energy: 0.7496906664787006
Energy: 0.7717203854572351
Energy: 0.7784531062014086
Energy: 0.7745582220548658
Energy: 0.8572776411739941
Energy: 0.7745582220528231
Energy: 0.8752544003268261
Energy: 0.7471381623633564
Energy: 0.7440841064816848
Energy: 0.7471381623633564
Energy: 0.7889889533829756
Energy: 0.7601661376434957
Energy: 0.71642096240247
Energy: 0.7601661376441767
Energy: 0.9209852428831529
Energy: 0.7060437186385391
Energy: 0.8810927394718996
Energy: 0.7060437186385391
Energy: 0.7882132127926703
Energy: 0.77450861008284
Energy: 0.7400087825421329
Energy: 0.7745086100842018
Energy: 0.9530309065236269
Energy: 0.817109757246678
Energy: 0.8831463209637478
Energy: 0.8171097572480397
Energy: 0.6862453182727312
Energy: 0.8618988905355618
Energy: 0.8777684983589347
Energy: 0.8618988905423707
Energy: 0.9866286584156037
Energy: 0.7936648133636715
Energy: 0.8844077897118346
Energy: 0.7936648133629906
Energy: 1.046083990842468
Energy: 0.9812172578800159
Energy: 0.8137032243489875
Energy: 0.9812172578793351

minimum gb energy = 0.6392410553525576 eV
minimum distance =  2.47645730034384 Angstroms
sigma value = 25


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

Energy: 1.1906600232578504
Energy: 1.043562504660153
Energy: 0.7278499355430081
Energy: 1.043562504660153
Energy: 1.0597422300159134
Energy: 0.9280934553460133
Energy: 1.1193490697090962
Energy: 0.9280934553460133
Energy: 0.7854070608518405
Energy: 0.8714775586766512
Energy: 1.0077988963705462
Energy: 0.8714775586774427
Energy: 0.9160600634088386
Energy: 0.9830845369313826
Energy: 1.1010682795271096
Energy: 0.9830845369313826
Energy: 0.9398165726458197
Energy: 0.7653005992069036
Energy: 0.6964074993189523
Energy: 0.7653005992069036
Energy: 0.868389366645004
Energy: 0.7928810847564486
Energy: 0.9417463865717178
Energy: 0.7928810847564486
Energy: 0.8378379384877112
Energy: 0.6994408338347761
Energy: 0.860209026265043
Energy: 0.6994408338347761
Energy: 0.8970872788020012
Energy: 0.7465714183796145
Energy: 0.9479814131170579
Energy: 0.7465714183796145
Energy: 0.7945340164052695
Energy: 0.8163370167894999
Energy: 0.7759812065445071
Energy: 0.8163370166755595
Energy: 0.9381078625599689
Energy: 0.7806255177033551
Energy: 0.9490285946293137
Energy: 0.7806255177033551
Energy: 0.9022385966471688
Energy: 0.7307580516666422
Energy: 0.7689719467127264
Energy: 0.7307580516674338
Energy: 0.8560065375056811
Energy: 0.8244570125715176
Energy: 0.9208983226640858
Energy: 0.824457012570726
Energy: 0.7484571088015252
Energy: 0.9661199608328218
Energy: 0.9566976631027074
Energy: 0.9661199608620895
Energy: 1.046265310587369
Energy: 0.9638537227276328
Energy: 1.0772679160188787
Energy: 0.9638537227284242
Energy: 1.0187571396595663
Energy: 0.8847986537026789
Energy: 0.8283423940385611
Energy: 0.8847986537185089
Energy: 0.9866952776118004
Energy: 0.9418632645448642
Energy: 0.8601838514237147
Energy: 0.9418632645448642
Energy: 0.7698930732675024
Energy: 0.7619831850343367
Energy: 0.8812338949869482
Energy: 0.7619831850477743
Energy: 0.6893354032074435
Energy: 0.8033829312603946
Energy: 0.8711339534227792
Energy: 0.8033829312611862
Energy: 0.8093764767901024
Energy: 0.7904699486821756
Energy: 0.8408692930379781
Energy: 0.7904699486821756
Energy: 0.9408342073542849
Energy: 0.7448546391799208
Energy: 0.8249572555222491
Energy: 0.7448546391799208
Energy: 0.7612486153854454
Energy: 0.7874184769085354
Energy: 0.8712223107927674
Energy: 0.787418476909309
Energy: 0.9759018580725509
Energy: 0.7797041849900924
Energy: 0.9459789051272831
Energy: 0.7797041849900924
Energy: 0.7366835689716642
Energy: 0.9292699885642125
Energy: 0.9038013302143061
Energy: 0.9292699885650041
Energy: 0.9134565941894071
Energy: 0.8439589719439372
Energy: 0.924304558357972
Energy: 0.8439589719439372
Energy: 0.9349387983620093
Energy: 0.9684126077094852
Energy: 0.709344389472914
Energy: 0.9684126077094852

minimum gb energy = 0.6893354032074435 eV
minimum distance =  2.53891360101809 Angstroms
sigma value = 9


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

Energy: 0.9693511550227761
Energy: 1.0662918989223606
Energy: 0.782449364821722
Energy: 1.066291898923305
Energy: 1.132892591441856
Energy: 0.9497568241026444
Energy: 1.0999616794738152
Energy: 0.9497568241017001
Energy: 0.898311226206755
Energy: 0.9289666226584733
Energy: 0.9169090515338106
Energy: 0.92896662329268
Energy: 0.9838526210468171
Energy: 0.9820920905429811
Energy: 0.8720615757200276
Energy: 0.9820920905429811
Energy: 0.9157021110939046
Energy: 0.7313939873416664
Energy: 0.7755454970813297
Energy: 0.7313939873426106
Energy: 0.8321664411424543
Energy: 0.7826149975150851
Energy: 0.898524432808516
Energy: 0.782614997385793
Energy: 0.7671504345350265
Energy: 0.707223011963623
Energy: 0.7682852168480968
Energy: 0.7072230119692884
Energy: 0.9269043658938324
Energy: 0.8288453204942923
Energy: 1.0163413123093283
Energy: 0.828845320493348
Energy: 0.7808755806660284
Energy: 0.7587528229775216
Energy: 0.7895145716496265
Energy: 0.7587528229765774
Energy: 0.917551182987363
Energy: 0.8213557428492337
Energy: 0.8983604969846071
Energy: 0.8213557428492337
Energy: 0.8703159324087909
Energy: 1.0508624153827177
Energy: 0.7833390142787866
Energy: 1.0508624153827177
Energy: 1.0975635348953
Energy: 0.8811016251974039
Energy: 1.0897559247366575
Energy: 0.881101625198348
Energy: 0.8342429682299715
Energy: 0.973160043809672
Energy: 1.0110646254275737
Energy: 0.9731600438125045
Energy: 0.7802911543871861
Energy: 0.9722020338581077
Energy: 1.009945428542697
Energy: 0.972202033405103
Energy: 0.9075001466930417
Energy: 0.811493419306325
Energy: 0.8239840113518132
Energy: 0.8114934163173524
Energy: 0.8108503909174204
Energy: 0.8303799903099078
Energy: 0.8927092635263039
Energy: 0.8303799903089637
Energy: 0.820482459487708
Energy: 0.8060458477073499
Energy: 0.7416888172531769
Energy: 0.8060458477073499
Energy: 0.9196838492044442
Energy: 0.8046321611359589
Energy: 0.8033606031304902
Energy: 0.8046321611359589
Energy: 0.8078597168361566
Energy: 0.8471866894546654
Energy: 0.8478626191231331
Energy: 0.8471866894546654
Energy: 0.9972002258159359
Energy: 0.909413249976875
Energy: 0.8462833486672878
Energy: 0.9094132499778192
Energy: 0.9633879207122849
Energy: 0.9248646415253082
Energy: 0.7983004152065623
Energy: 0.9248646415253082

minimum gb energy = 0.707223011963623 eV
minimum distance =  2.55920048847733 Angstroms
sigma value = 25


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

Energy: 0.9294886267228798
Energy: 0.8823800159184971
Energy: 0.8636473344061869
Energy: 0.8823800144548714
Energy: 1.0902307665895934
Energy: 1.0863877741624903
Energy: 1.111551481012304
Energy: 1.0863877741624903
Energy: 0.8215265110477893
Energy: 1.1019878768690698
Energy: 0.8502557430462222
Energy: 1.1019878768667346
Energy: 0.9729471610538685
Energy: 0.9819847665529444
Energy: 0.8546828078089946
Energy: 0.9819847665529444
Energy: 0.8957863919790209
Energy: 0.8497840196834763
Energy: 0.8656962058631414
Energy: 0.8497840196823085
Energy: 0.8917857970878429
Energy: 0.8444474109380504
Energy: 0.9439053512797436
Energy: 0.8444474109380504
Energy: 0.7666468788662305
Energy: 0.8165780735543744
Energy: 0.8097988697226969
Energy: 0.816578073555542
Energy: 0.9390474037369261
Energy: 0.9090803013538993
Energy: 1.002051707013823
Energy: 0.9090803013538993
Energy: 0.8387040521931803
Energy: 0.9646712910460696
Energy: 1.0053249223283367
Energy: 0.9646712909853762
Energy: 0.9940804996621402
Energy: 1.1620179644198816
Energy: 1.1337496321430982
Energy: 1.1620179644210493
Energy: 0.9585052849265431
Energy: 1.1081991705714767
Energy: 0.8542657531656578
Energy: 1.1081991705749796
Energy: 1.108390967647047
Energy: 1.040494596998813
Energy: 0.8858477857902004
Energy: 1.0404945914488921
Energy: 0.9309367843928247
Energy: 0.7232845984446213
Energy: 0.9084871765772522
Energy: 0.7232845984434537
Energy: 0.8158932035480555
Energy: 0.8797876960295962
Energy: 0.9888315540924485
Energy: 0.8797876960295962
Energy: 0.6462067426716513
Energy: 0.8775037609109199
Energy: 0.7907455420757573
Energy: 0.8775037609120877
Energy: 0.99730228735056
Energy: 0.979263528261025
Energy: 0.7422125641828045
Energy: 0.979263528261025
Energy: 0.9829240647285998
Energy: 0.9705590159740987
Energy: 0.8394162792356263
Energy: 0.9705590159740987

minimum gb energy = 0.6462067426716513 eV
minimum distance =  2.49489409470794 Angstroms
sigma value = 17


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

Energy: 0.8788313457220266
Energy: 1.0443062583769316
Energy: 0.952481101411798
Energy: 1.0443062623186776
Energy: 1.131135185476575
Energy: 1.0847428038645481
Energy: 1.1165630442015728
Energy: 1.0847428038652094
Energy: 0.8500107574450985
Energy: 0.8907081642830111
Energy: 0.8391028850531272
Energy: 0.8907081642830111
Energy: 0.8880717902172727
Energy: 0.9981551288662183
Energy: 0.8783698692354212
Energy: 0.9981551288682021
Energy: 0.7671625565888845
Energy: 0.7664514109569669
Energy: 0.8171307442901412
Energy: 0.7664514109563056
Energy: 0.8544072494000041
Energy: 0.9448547855688862
Energy: 0.9164639648102347
Energy: 0.9448547855669023
Energy: 0.8755824678241942
Energy: 0.9013160952655885
Energy: 0.8776859954164956
Energy: 0.9013160952655885
Energy: 1.1079956255680228
Energy: 1.0569599343749314
Energy: 1.009616843180027
Energy: 1.0569599343749314
Energy: 0.9010213703156422
Energy: 1.1203470950801788
Energy: 0.9256803555048259
Energy: 1.12034709508084
Energy: 0.9407481842111605
Energy: 1.0687617101676612
Energy: 1.128143453445826
Energy: 1.0687617101683224
Energy: 0.8993909278161085
Energy: 0.8462212693372098
Energy: 1.0027116663508144
Energy: 0.8462212693570195
Energy: 1.000263757882241
Energy: 0.8911348102767538
Energy: 0.8560226906875426
Energy: 0.8911348102774151
Energy: 0.8965286528624363
Energy: 0.8001069464594466
Energy: 0.8453169152105889
Energy: 0.8001069469109523
Energy: 0.9106715343669008
Energy: 1.0085069154393034
Energy: 0.9305593025071044
Energy: 1.0085069154386421
Energy: 0.9097798553381276
Energy: 1.0666795459109601
Energy: 1.1307088234649576
Energy: 1.06667954590104
Energy: 0.9532571846143109
Energy: 1.1554713839373152
Energy: 1.0718790635307764
Energy: 1.1554713839373152
Energy: 1.0752424248964356
Energy: 1.0631934555808416
Energy: 1.0856417689644096
Energy: 1.0631934555590177
Energy: 1.0492761874259324
Energy: 0.9266261501733778
Energy: 0.8591808797498891
Energy: 0.9266261501733778
Energy: 0.8800085584194199
Energy: 0.9286550162838204
Energy: 0.873046371909035
Energy: 0.9286550162838204
Energy: 0.7868286961861785
Energy: 0.7800258370815571
Energy: 0.8827760784322032
Energy: 0.7800258370815571
Energy: 0.8594264617202073
Energy: 0.9378168395550454
Energy: 0.9917426690727449
Energy: 0.9378168395524001
Energy: 0.9881903117625512
Energy: 0.9264700760550755
Energy: 0.9237169094398858
Energy: 0.9264700760451555
Energy: 1.1497660514367052
Energy: 1.1413259470397905
Energy: 1.055606527550863
Energy: 1.1413259470397905
Energy: 1.063191312164084
Energy: 1.1139991372613922
Energy: 0.8872323944917084
Energy: 1.1139991372620535
Energy: 0.9757482693293278
Energy: 1.0089153849701438
Energy: 1.097256301036266
Energy: 1.0089153849714665
Energy: 0.8609883720179948
Energy: 0.8167344180304524
Energy: 0.8785076690930808
Energy: 0.8167344180304524
Energy: 0.8234610065094005
Energy: 0.8842173885263623
Energy: 0.8446742023426173
Energy: 0.8842173885263623
Energy: 0.8228556966675511
Energy: 0.7938284642646314
Energy: 0.8355873737582362
Energy: 0.7938284642646314
Energy: 1.0054850725703992
Energy: 1.053650562173098
Energy: 1.0453358593467863
Energy: 1.053650562173098
Energy: 0.9338415280384537
Energy: 1.0722121397137074
Energy: 0.9186838042094244
Energy: 1.0722121397189979

minimum gb energy = 0.7664514109563056 eV
minimum distance =  2.46929298561691 Angstroms
sigma value = 53


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

Energy: 0.7630395877125244
Energy: 0.9724205899074838
Energy: 0.9711079118216883
Energy: 0.9724205895104432
Energy: 1.1713600288213417
Energy: 1.0311770760343992
Energy: 1.127204834634306
Energy: 1.0311770760219252
Energy: 0.8113305123201274
Energy: 1.1609231740565604
Energy: 0.8865369361088983
Energy: 1.160923174054744
Energy: 1.044365223840825
Energy: 1.1084294962310006
Energy: 1.0767071651595246
Energy: 1.108429496073181
Energy: 0.7622153537703923
Energy: 0.9443927818259448
Energy: 0.8271879017850654
Energy: 0.944392782547881
Energy: 0.7547954423406855
Energy: 1.0068306570768504
Energy: 0.8127039365816926
Energy: 1.0068306570316603
Energy: 0.9000895192407646
Energy: 0.9094560220077571
Energy: 0.9722141336372915
Energy: 0.909456022008674
Energy: 1.0360303785535527
Energy: 1.0646293114736707
Energy: 1.0724546297524022
Energy: 1.064629311475193
Energy: 0.8401090885819332
Energy: 1.2343289217408586
Energy: 0.7876167590832983
Energy: 1.2343289117013139
Energy: 0.81527502626066
Energy: 1.1246687192323237
Energy: 1.165127105316208
Energy: 1.1246687192330849
Energy: 0.6816620821987253
Energy: 1.0121309814524402
Energy: 0.8091090185158936
Energy: 1.0121309814521462
Energy: 0.8887669484050541
Energy: 0.9743223084105324
Energy: 0.7922960286166715
Energy: 0.9743223084099267
Energy: 1.0472662584556218
Energy: 1.0405410003000921
Energy: 0.972469326316387
Energy: 1.0405392852787612

minimum gb energy = 0.6816620821987253 eV
minimum distance =  2.49262909278687 Angstroms
sigma value = 9


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

Energy: 0.9482452252698509
Energy: 1.2348999450460545
Energy: 0.9435443741815985
Energy: 1.2348999450376024
Energy: 1.0844737083779499
Energy: 1.123754275751465
Energy: 1.154892883232774
Energy: 1.1237542757509014
Energy: 0.9913721027784926
Energy: 0.9771812326491602
Energy: 0.7875277025947928
Energy: 0.9771812326485968
Energy: 0.826929931372
Energy: 0.9914856101341657
Energy: 0.9551107780793898
Energy: 0.9914856101369831
Energy: 0.9328378101829513
Energy: 0.856313962709678
Energy: 0.9630908585465178
Energy: 0.8563139627130589
Energy: 0.992647343873414
Energy: 1.0427013870513562
Energy: 1.0233093597058736
Energy: 1.0427013870586817
Energy: 1.0457277614532234
Energy: 1.1671902530939162
Energy: 0.9623231231887921
Energy: 1.1671902530933524
Energy: 1.1458068478009291
Energy: 1.009638592786499
Energy: 0.9976341342000173
Energy: 1.0096385927836817
Energy: 0.9682182637103484
Energy: 0.9028804509517084
Energy: 0.868337897998487
Energy: 0.9028804509466626
Energy: 0.8540817484330947
Energy: 0.9255168541138008
Energy: 0.9759466909224167
Energy: 0.9255168541143644
Energy: 0.8922511697471461
Energy: 0.9212135920701682
Energy: 1.0880507863343463
Energy: 0.9212135920707317
Energy: 0.9334069198033844
Energy: 1.1338451400168248
Energy: 0.9051441432850498
Energy: 1.133845140019642
Energy: 1.138212862797457
Energy: 1.0833346213343427
Energy: 1.0620639909989233
Energy: 1.0833346213416426
Energy: 1.0445443679214832
Energy: 1.008170596503499
Energy: 0.8610774682813169
Energy: 1.008170596503499
Energy: 0.9767666028906072
Energy: 1.0510711708134086
Energy: 0.861792403918075
Energy: 1.0510711708196072
Energy: 0.893151665174935
Energy: 0.859015615218872
Energy: 0.9810439581498108
Energy: 0.8590156149800513
Energy: 1.0380069454488399
Energy: 1.0798661476573228
Energy: 1.1125258010440693
Energy: 1.0798661476573228
Energy: 0.9343921274422755
Energy: 1.1775924869170529
Energy: 0.8900114671044271
Energy: 1.1775924869170529
Energy: 1.0311559993626451
Energy: 1.047161907648381
Energy: 1.1442313242427598
Energy: 1.0471619076489445
Energy: 0.8306324463305051
Energy: 0.9168150514873554
Energy: 0.9152646255256082
Energy: 0.9168150515087683
Energy: 0.9283387459774125
Energy: 1.01961364135434
Energy: 0.782039727734106
Energy: 1.01961364135434
Energy: 0.9561274218323939
Energy: 0.8435619746448201
Energy: 0.9031688554369112
Energy: 0.8435619746493281
Energy: 0.9669773461831157
Energy: 0.9955020955690589
Energy: 0.9456919956708338
Energy: 0.9955020955707494
Energy: 0.9632745744064323
Energy: 1.2612528106672865
Energy: 1.036872798144351
Energy: 1.2612528106672865
Energy: 0.9434616168215922
Energy: 1.0892564734037742
Energy: 1.155022093739699
Energy: 1.0892564734043377
Energy: 0.8095600870109484
Energy: 1.0105305553968686
Energy: 1.025097624494235
Energy: 1.0105305553974322
Energy: 0.9526461727488834
Energy: 0.8515700815233682
Energy: 0.8578015627307728
Energy: 0.8515700808897148
Energy: 1.1036814831297608
Energy: 0.9970167264243198
Energy: 0.8466012240794273
Energy: 0.9970167264254468
Energy: 0.8283903624581598
Energy: 1.0338098132626259
Energy: 0.9042589343958393
Energy: 1.0338098132626259
Energy: 1.088862527547057
Energy: 1.192567844768513
Energy: 1.0996411905428027
Energy: 1.1925678447690764
Energy: 0.9526335486525289
Energy: 1.0019680312663262
Energy: 0.9104224078588772
Energy: 1.0019680312663262
Energy: 0.9863038743681813
Energy: 1.008413248869798
Energy: 1.0585889864201148
Energy: 1.0084132488765598
Energy: 0.8933214089764839
Energy: 0.858426236898688
Energy: 0.8950775752677202
Energy: 0.8584262368992516
Energy: 1.031396514439286
Energy: 1.0853019612032897
Energy: 1.034711575070998
Energy: 1.0853019612032897
Energy: 0.9101300540455576
Energy: 1.1882774052884222
Energy: 0.9727900461622204
Energy: 1.1882774052889857

minimum gb energy = 0.782039727734106 eV
minimum distance =  2.42817062655896 Angstroms
sigma value = 73


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

Energy: 0.9009120718230272
Energy: 1.099673462285376
Energy: 0.977050624799801
Energy: 1.0996734625338163
Energy: 1.1088753891776801
Energy: 1.1626530882001356
Energy: 1.1576901135285353
Energy: 1.1626530882001356
Energy: 0.9579918118334981
Energy: 1.0088490008475028
Energy: 0.7669110771884416
Energy: 1.0088490008466091
Energy: 0.8198804517565484
Energy: 0.9972954216563698
Energy: 1.0310866404768055
Energy: 0.997295421634933
Energy: 0.9289623520387353
Energy: 0.9572254626262044
Energy: 0.9817629416406768
Energy: 0.9572254626262044
Energy: 0.9931836180565506
Energy: 1.1310190471999728
Energy: 1.0786815131698104
Energy: 1.1310190471999728
Energy: 1.0646969416282455
Energy: 1.2005373806137547
Energy: 0.9515899953985927
Energy: 1.2005373806146487
Energy: 1.1827588327924035
Energy: 1.0961081896553044
Energy: 0.9993711865365
Energy: 1.0961081896561988
Energy: 0.9593267825912176
Energy: 0.930302877117765
Energy: 0.7915817795313902
Energy: 0.930302877116871
Energy: 0.9249772898324484
Energy: 0.9833131113160887
Energy: 0.9130893270694693
Energy: 0.9833131113160887
Energy: 0.8753665148788009
Energy: 0.9690972323020334
Energy: 1.1328627364407295
Energy: 0.9690972323020334
Energy: 0.9399795047012174
Energy: 1.036044051614586
Energy: 0.9121014580454176
Energy: 1.0360440518219007
Energy: 0.9773361766049398
Energy: 1.1067614734202702
Energy: 1.0539152298512473
Energy: 1.1067614734220583
Energy: 0.9399768279456542
Energy: 0.8882218028610949
Energy: 1.0130795336034912
Energy: 0.8882218028610949
Energy: 0.9971710378080866
Energy: 0.9679965944445498
Energy: 0.8453187035760864
Energy: 0.9679965944454438
Energy: 0.9527753113423978
Energy: 0.9429143250918728
Energy: 0.9222794514837566
Energy: 0.9429143250918728
Energy: 1.1073701912130767
Energy: 1.087922829080102
Energy: 1.0728530301820696
Energy: 1.087922829079208
Energy: 0.9645132107137298
Energy: 1.1081602318357293
Energy: 1.0211308345274397
Energy: 1.1081602318348354
Energy: 1.0145982026700724
Energy: 1.051512726498551
Energy: 0.9843684132870076
Energy: 1.051512726498551
Energy: 0.7724455875683017
Energy: 0.85338218555396
Energy: 0.9651748706864175
Energy: 0.8533821855664764
Energy: 1.046869854004195
Energy: 0.9974928834405431
Energy: 0.9028145217014732
Energy: 0.997492883438755
Energy: 1.122906227133837
Energy: 1.056034437380708
Energy: 1.0264373649214855
Energy: 1.056034437381602

minimum gb energy = 0.7669110771884416 eV
minimum distance =  2.44729139172814 Angstroms
sigma value = 7


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

Energy: 0.9489595561713807
Energy: 1.0966847798921535
Energy: 0.9444441017789841
Energy: 1.096684779880142
Energy: 1.1153911962518843
Energy: 1.1189744087458735
Energy: 1.119616597262697
Energy: 1.1189744087452413
Energy: 0.9018430909735756
Energy: 0.9602089733189585
Energy: 1.012657338855134
Energy: 0.9602089733202229
Energy: 0.8210057405769101
Energy: 0.9666531911062699
Energy: 0.9616753074130723
Energy: 0.9666531911069021
Energy: 0.9337414315857403
Energy: 0.8560395816807649
Energy: 1.004662698936496
Energy: 0.8560395816795004
Energy: 1.0187026311827956
Energy: 1.0593445309882303
Energy: 1.0159903892228077
Energy: 1.0593445309882303
Energy: 1.036309143845441
Energy: 1.0576045348146947
Energy: 0.9576441990439075
Energy: 1.057604534815327
Energy: 1.0689193321479113
Energy: 0.9939642349611795
Energy: 0.8911224714993543
Energy: 0.9939642349592831
Energy: 1.002821949249673
Energy: 0.9899526087090845
Energy: 0.8770024321390224
Energy: 0.9899526087090845
Energy: 0.7757507606762838
Energy: 0.9459237313566873
Energy: 0.8766818192209993
Energy: 0.9459237408263217
Energy: 1.0740672748806004
Energy: 1.1375213158586086
Energy: 1.1849211397924244
Energy: 1.1375213158573443
Energy: 0.9482459442340229
Energy: 1.1237451235314029
Energy: 1.0047405822326196
Energy: 1.1237451235358282
Energy: 0.9673432655474984
Energy: 0.9987110891943998
Energy: 1.0657712993928738
Energy: 0.998711089195032
Energy: 0.8976447337208538
Energy: 0.9039979171352179
Energy: 0.8860881659434117
Energy: 0.9039979171352179
Energy: 0.998062960651138
Energy: 1.0222184573968685
Energy: 0.9218584805752496
Energy: 1.0222184573968685
Energy: 0.9996021842165685
Energy: 1.143797233056575
Energy: 0.9891267531772235
Energy: 1.143797233056575
Energy: 1.052309800351538
Energy: 1.1037974023645254
Energy: 1.1014418764446063
Energy: 1.1037974023645254
Energy: 0.9372560591695215
Energy: 0.9788194932157657
Energy: 0.8255379074062568
Energy: 0.9788194932163978
Energy: 0.814283340887773
Energy: 0.9005725669332197
Energy: 0.9624692022101933
Energy: 0.9005725669420703
Energy: 0.8981557482642728
Energy: 0.9128208996633169
Energy: 1.1498585573443123
Energy: 0.9128208996620526
Energy: 1.0057996016936221
Energy: 1.0287946952260494
Energy: 0.8868839067655873
Energy: 1.0287946952260494
Energy: 1.0175566874086885
Energy: 1.0604770765872116
Energy: 1.0852976963972014
Energy: 1.0604770765872116
Energy: 1.0023422894293952
Energy: 0.9435326474261069
Energy: 0.9239564256270241
Energy: 0.9435326474254748
Energy: 0.981431500664584
Energy: 1.0149258674138744
Energy: 0.8240343748296988
Energy: 1.014925867411346
Energy: 0.8398369749939415
Energy: 0.8795785319846383
Energy: 0.8647532683069743
Energy: 0.8795785319852704
Energy: 1.066711857549857
Energy: 1.1216850642783445
Energy: 1.124781965014692
Energy: 1.1216850642796088
Energy: 0.9473381457889964
Energy: 1.144319196293962
Energy: 0.8873246099343356
Energy: 1.144319196293962
Energy: 0.9736733446423819
Energy: 1.0229182470551645
Energy: 1.1812302901507923
Energy: 1.0229182470545322
Energy: 0.9050580241895282
Energy: 0.8726349031345313
Energy: 0.9756794877670663
Energy: 0.8726349031320025
Energy: 0.9721093434761892
Energy: 0.9943257828212166
Energy: 0.8381738564049876
Energy: 0.9943257828193202
Energy: 1.1370213625658132
Energy: 1.16972814513699
Energy: 1.0274309595632747
Energy: 1.1697281451388866

minimum gb energy = 0.7757507606762838 eV
minimum distance =  2.48611944738859 Angstroms
sigma value = 29


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

Energy: 0.5351353316903766
Energy: 1.0301337119011937
Energy: 0.8816702327777335
Energy: 1.0301337232579633
Energy: 0.9835402222709444
Energy: 0.9304614473851837
Energy: 0.8460261853837804
Energy: 0.9304614473854038
Energy: 0.9462301622788275
Energy: 0.9644509449925414
Energy: 0.998366522391311
Energy: 0.9644509450640104
Energy: 0.8283158310306831
Energy: 0.8810659826560719
Energy: 0.9961875821717592
Energy: 0.8810661420251231
Energy: 0.8810905902974321
Energy: 0.8821667393700992
Energy: 0.7494979576360234
Energy: 0.8821667393978696
Energy: 0.9089678776432936
Energy: 0.9022805646590291
Energy: 0.7578099403661714
Energy: 0.9022805644395082
Energy: 1.1482268006426501
Energy: 0.9268491192117748
Energy: 0.9951000435821306
Energy: 0.9268491192111388
Energy: 1.1652792971460808
Energy: 0.9848361218542073
Energy: 0.9469723498157492
Energy: 0.9848361218542073
Energy: 0.9228439857778445
Energy: 0.9360065163006209
Energy: 0.9980457270359206
Energy: 0.9360065152591944

minimum gb energy = 0.5351353316903766 eV
minimum distance =  2.59160991823158 Angstroms
sigma value = 5


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

Energy: 0.7499208320854439
Energy: 1.0599399702096255
Energy: 0.9311118747920436
Energy: 1.0599399702096255
Energy: 1.0116194530729927
Energy: 1.0333758616367528
Energy: 1.0012053717318856
Energy: 1.0333758616361555
Energy: 0.9493147209355322
Energy: 0.8201499141553581
Energy: 0.8530883921900216
Energy: 0.8201499141553581
Energy: 0.8282552277696087
Energy: 0.9441936179019038
Energy: 0.9852037578531249
Energy: 0.9441936179019038
Energy: 0.9989667408005857
Energy: 1.1302328761439207
Energy: 1.0829904333244784
Energy: 1.130232876145115
Energy: 0.9417190647339619
Energy: 1.0731812088608688
Energy: 1.1292341895644826
Energy: 1.0731812088614656
Energy: 0.7826852672186737
Energy: 0.8907301141001253
Energy: 1.0128870695627161
Energy: 0.8907301140995282
Energy: 0.8798009782054472
Energy: 0.8796466091426401
Energy: 0.8841331253157123
Energy: 0.8796466091426401
Energy: 0.9709236046005157
Energy: 0.9959414992194117
Energy: 1.0186779123910048
Energy: 0.9959414992182174
Energy: 0.7946062921218021
Energy: 0.9967206568837407
Energy: 0.8951025118882266
Energy: 0.9967206568819492
Energy: 0.9528954377614138
Energy: 0.9762845314593634
Energy: 0.7715241692965796
Energy: 0.9762845314575719
Energy: 1.006078890740597
Energy: 0.9466961408525272
Energy: 0.8848703205765229
Energy: 0.9466961408525272
Energy: 0.9295863174726651
Energy: 0.957857136476064
Energy: 0.9581019993817782
Energy: 0.957857136476064
Energy: 0.9577007615557902
Energy: 0.9543875899566258
Energy: 0.9360334963198522
Energy: 0.9543875899578201
Energy: 0.8566858243479407
Energy: 0.8461963004697433
Energy: 0.9864620721666573
Energy: 0.8461963004679517
Energy: 0.8674662914410722
Energy: 0.9408350098126859
Energy: 0.9784227059388352
Energy: 0.9408350098132832
Energy: 0.8619726889111442
Energy: 1.0426709038470314
Energy: 0.9835865396698437
Energy: 1.042670903848823
Energy: 0.9672072884069158
Energy: 1.0230006074405766
Energy: 1.079804681305544
Energy: 1.0230006074405766
Energy: 0.792033165921448
Energy: 0.8722414019177991
Energy: 0.9115740801374227
Energy: 0.8722414018980925
Energy: 0.9731778478877807
Energy: 0.9153657590118951
Energy: 0.6498948158894653
Energy: 0.9153657590130894
Energy: 1.1370759459261204
Energy: 1.1032586915566003
Energy: 1.0039426755234044
Energy: 1.1032586915530171
Energy: 1.087508106276961
Energy: 1.0359666940300174
Energy: 0.9577782873496224
Energy: 1.0359666940306147
Energy: 1.0017505419985946
Energy: 0.9177369297386766
Energy: 0.8400815509901705
Energy: 0.9177369297392738
Energy: 0.9130780998525636
Energy: 0.8358135177820708
Energy: 0.9028343258377219
Energy: 0.8358135177820708
Energy: 1.0029186834908677
Energy: 0.9264017454522103
Energy: 0.9576283759252018
Energy: 0.9264017454528075
Energy: 0.9108073182460865
Energy: 1.020028388421224
Energy: 0.7570233758564575
Energy: 1.0200283884194328
Energy: 0.7781729748831201
Energy: 0.9257122168467872
Energy: 1.0204556607384347
Energy: 0.9257122168473844
Energy: 0.7620859664546481
Energy: 1.0015495865118573
Energy: 0.9944333549307176
Energy: 1.0015495865112602
Energy: 1.0230619870422852
Energy: 1.0812741941431494
Energy: 0.9067350355361935
Energy: 1.0812741941443433
Energy: 1.0078229999449684
Energy: 1.0115725599068357
Energy: 0.9903357512601726
Energy: 1.0115725599050442
Energy: 0.9385903200957567
Energy: 0.8856393025564568
Energy: 0.8410493341613521
Energy: 0.885639302557054
Energy: 1.0072881292191165
Energy: 0.9141479632045943
Energy: 0.9102878682813519
Energy: 0.9141479632034001
Energy: 1.084541086383244
Energy: 1.0715321935563251
Energy: 0.919881308766403
Energy: 1.0715321935551307

minimum gb energy = 0.6498948158894653 eV
minimum distance =  2.44265409977188 Angstroms
sigma value = 1


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

Energy: 0.7264144763719994
Energy: 1.0423894092022679
Energy: 0.8796478841760845
Energy: 1.0423894092039192
Energy: 0.9686769956149006
Energy: 0.9857592918836874
Energy: 0.9480829285917154
Energy: 0.9857592918845132
Energy: 0.8788683804789365
Energy: 0.7480060362067129
Energy: 0.8052135856718065
Energy: 0.7480060361968235
Energy: 0.7567279187714583
Energy: 0.9356951751859304
Energy: 0.8815631934153265
Energy: 0.935695175186756
Energy: 0.9064798952204792
Energy: 1.070064419958297
Energy: 1.0915431513161706
Energy: 1.070064419959123
Energy: 0.8884514279475788
Energy: 1.0329414377051682
Energy: 1.0964733713686659
Energy: 1.0329414377051682
Energy: 0.6662521928585894
Energy: 0.9148595110221717
Energy: 0.9278565811257163
Energy: 0.914859511021346
Energy: 0.8981373670569477
Energy: 0.9443300242294232
Energy: 0.8075450835009573
Energy: 0.9443300242294232
Energy: 1.0070969838658022
Energy: 1.0303744783748823
Energy: 0.9139054928293217
Energy: 1.0303744784078908
Energy: 0.6277187353885316
Energy: 0.9384714374142045
Energy: 0.8059918330148136
Energy: 0.9384714373663334
Energy: 0.9249996598735136
Energy: 0.8969194821955302
Energy: 0.7132482080676082
Energy: 0.8969194821947046
Energy: 1.033043708749954
Energy: 1.0435634052151035
Energy: 0.9823499626158152
Energy: 1.0435634052134521
Energy: 0.9284566857628672
Energy: 1.107312801054075
Energy: 0.9256251770935452
Energy: 1.107312801117634
Energy: 0.9151605315445944
Energy: 0.9324643816741166
Energy: 0.9169103564305069
Energy: 0.9324643816741166
Energy: 0.8327982665528461
Energy: 0.7792768082666971
Energy: 0.856609838207513
Energy: 0.7792768082675229
Energy: 0.8729713914241818
Energy: 1.012189516148819
Energy: 1.063867261299634
Energy: 1.012189516148819
Energy: 0.9182311579166962
Energy: 1.1483555012525986
Energy: 0.9715711012236383
Energy: 1.148355501277369
Energy: 0.8462488926417133
Energy: 0.9046389774910194
Energy: 0.9961585904643115
Energy: 0.9046388340597425
Energy: 0.6645568298935128
Energy: 0.8837341016188939
Energy: 0.8957886153468058
Energy: 0.8837341016180681
Energy: 0.9197978197149151
Energy: 1.0371666532339137
Energy: 0.8338803097841188
Energy: 1.0371666532330879
Energy: 0.9848193396406251
Energy: 0.994198570048911
Energy: 0.9251814893457335
Energy: 0.994198570048911
Energy: 0.8811700612096176
Energy: 0.8253728832742224
Energy: 0.803742767500722
Energy: 0.8253728832742224
Energy: 0.9634996885424917
Energy: 0.8825540565570108
Energy: 0.7670323565357909
Energy: 0.8825540565570108
Energy: 0.9104356039737894
Energy: 0.994785744016098
Energy: 0.9165920395280551
Energy: 0.994785744016098

minimum gb energy = 0.6277187353885316 eV
minimum distance =  2.48341039163035 Angstroms
sigma value = 17


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

Energy: 0.7792873798295126
Energy: 1.0739742222737714
Energy: 0.9813993465925491
Energy: 1.0739742222742816
Energy: 1.0130537411792229
Energy: 1.077900600532711
Energy: 0.9293589443514558
Energy: 1.0779006005322003
Energy: 0.918585652672607
Energy: 0.7868346518328946
Energy: 0.7968492935338763
Energy: 0.7868346518323842
Energy: 0.7759205251125086
Energy: 0.9810894448259448
Energy: 0.9433407274379146
Energy: 0.9810894448259448
Energy: 0.9187342226157853
Energy: 0.9795297519346418
Energy: 0.9906186318649037
Energy: 0.9795297519320899
Energy: 0.8418824776105458
Energy: 0.9333001047422543
Energy: 1.020902543726255
Energy: 0.9333001047422543
Energy: 0.6472753660543246
Energy: 0.9210786922022076
Energy: 1.0033689896819966
Energy: 0.9210786922022076
Energy: 0.9250599274094078
Energy: 0.9618528356810984
Energy: 0.8498045701153254
Energy: 0.9618528356826292
Energy: 0.9971282100859371
Energy: 0.9795344325669342
Energy: 1.016442764694742
Energy: 0.9795344325659134
Energy: 0.6370177855967539
Energy: 0.8764292483807686
Energy: 0.8821267999975463
Energy: 0.8764292483807686
Energy: 0.9025373141317119
Energy: 0.8538130349667002
Energy: 0.5220938232503624
Energy: 0.8538130349667002
Energy: 1.0942954191549836
Energy: 1.07749368202821
Energy: 0.9687518991885042
Energy: 1.0774936820333134
Energy: 1.046595802769785
Energy: 1.0138195794130218
Energy: 0.9170438791431424
Energy: 1.0138195792278384
Energy: 0.9904963211879817
Energy: 0.945268893446749
Energy: 0.7878918769122755
Energy: 0.945268893446749
Energy: 0.9293044608303507
Energy: 0.871587463206509
Energy: 0.837130851939197
Energy: 0.8715874632070193
Energy: 0.9904856084540271
Energy: 1.026458271989543
Energy: 1.031593450412528
Energy: 1.026458271142264
Energy: 0.9273487590474192
Energy: 1.0104923044707843
Energy: 0.79485961644518
Energy: 1.0104923044712946
Energy: 0.6742060151703727
Energy: 0.8131248166640479
Energy: 0.9453130284583424
Energy: 0.8131248166645582
Energy: 0.8544695840088454
Energy: 1.0065427350143903
Energy: 1.0089162399358234
Energy: 1.0065427350143903
Energy: 0.9730075943908186
Energy: 1.1504513681172002
Energy: 0.821944705675845
Energy: 1.15045136811669
Energy: 0.9320997086523628
Energy: 1.0354167258122366
Energy: 0.9848788075745677
Energy: 1.0354167258132574
Energy: 0.8100986332575738
Energy: 0.8076108418754807
Energy: 0.9412826540120454
Energy: 0.8076108418765015
Energy: 0.965603830821167
Energy: 0.9717388504854501
Energy: 0.8415578852418398
Energy: 0.9717388504849397
Energy: 0.9507873789033252
Energy: 1.0663271021342122
Energy: 0.9709791911201333
Energy: 1.066327102135233
Energy: 1.0075029939723503
Energy: 0.935147612363166
Energy: 0.8809391281196111
Energy: 0.9351475754738612
Energy: 1.0091876982806114
Energy: 0.8915448394267772
Energy: 0.7041171435685227
Energy: 0.8915448394267772
Energy: 0.8532478095607018
Energy: 1.0651546973975257
Energy: 0.9657932230575798
Energy: 1.065154697398036
Energy: 1.0419527613606916
Energy: 0.9856321140312492
Energy: 0.9335634305389899
Energy: 0.9856321140317594
Energy: 0.8541880633157806
Energy: 0.7929220693461769
Energy: 0.7879014866680183
Energy: 0.7929220693502597
Energy: 0.6844111014303933
Energy: 0.9276881869443002
Energy: 0.9805907494057776
Energy: 0.9276881869443002
Energy: 0.9755880211671568
Energy: 1.0273745632058346
Energy: 1.0789886931777057
Energy: 1.0273745632160414
Energy: 0.9012075207436935
Energy: 0.885659994332077
Energy: 1.0735537000867028
Energy: 0.88565999433667
Energy: 0.7150806165847783
Energy: 0.9152461209826923
Energy: 0.9841983955295462
Energy: 0.9152461209826923
Energy: 0.8455373704118653
Energy: 0.8709576090273313
Energy: 0.8525778227601961
Energy: 0.8709576090273313
Energy: 0.9783154710324501
Energy: 1.0090134623441103
Energy: 0.989613580857379
Energy: 1.0090134621900573
Energy: 0.7553150194972236
Energy: 0.9757521592059951
Energy: 0.9124357266790895
Energy: 0.9757521592070156
Energy: 0.9412088863196303
Energy: 0.8437238197386383
Energy: 0.608323802114732
Energy: 0.8437238197376176
Energy: 1.0605458293724586
Energy: 1.0558640349928419
Energy: 0.8536856497839189
Energy: 1.0558640349908002

minimum gb energy = 0.5220938232503624 eV
minimum distance =  2.56190157775599 Angstroms
sigma value = 89


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

Energy: 0.9028478400345665
Energy: 1.1549073519945527
Energy: 0.9363699984460406
Energy: 1.1549073519874815
Energy: 0.9057495288843037
Energy: 0.8437902679786564
Energy: 0.8710899938633585
Energy: 0.8437902679775943
Energy: 0.8797260439413497
Energy: 0.8360662840671481
Energy: 0.8139922869602446
Energy: 0.8360662840670267
Energy: 0.5232188553424705
Energy: 1.02693565925098
Energy: 0.8807265559132623
Energy: 1.0269356592511165
Energy: 0.8981437151312168
Energy: 1.0450595622768593
Energy: 0.9710658314619539
Energy: 1.0450595622780579
Energy: 0.8506017133652697
Energy: 1.0314795482412646
Energy: 0.9121812156939345
Energy: 1.0314795482412646
Energy: 0.6033979218250418
Energy: 0.7950105471485486
Energy: 0.9177272462324823
Energy: 0.7950105474452605
Energy: 0.8757109625201192
Energy: 0.9208043347629622
Energy: 0.9063776857849085
Energy: 0.920804334713055
Energy: 0.8632243252610182
Energy: 0.9438624392834364
Energy: 0.88156493576331
Energy: 0.9438624384033152
Energy: 0.7475030250009055
Energy: 0.8633994151916897
Energy: 0.9406402213097123
Energy: 0.8633994151914166
Energy: 0.8466093707723108
Energy: 0.9939456367276889
Energy: 0.4658663470742792
Energy: 0.9939456367279621
Energy: 0.937908131731631
Energy: 0.9257220782141693
Energy: 1.004896761177868
Energy: 0.9257220782131071
Energy: 0.8500990612869801
Energy: 0.8991068052191562
Energy: 0.8881533406869813
Energy: 0.8991068052212806
Energy: 0.9617633154565687
Energy: 0.8882122242263363
Energy: 0.648312555864832
Energy: 0.8882122242266094
Energy: 0.968620138170935
Energy: 0.8583594831801431
Energy: 0.8728747723901484
Energy: 0.8583594832958599

minimum gb energy = 0.4658663470742792 eV
minimum distance =  2.55837421450018 Angstroms
sigma value = 13


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

Energy: 0.8925766029026188
Energy: 0.9724818800539432
Energy: 0.9537971990169993
Energy: 0.9724818785641829
Energy: 0.9624016531267156
Energy: 1.1001563508638257
Energy: 0.8547514450231651
Energy: 1.1001563508655046
Energy: 0.9048374568158877
Energy: 0.8115719400595549
Energy: 0.7692273477395929
Energy: 0.8115719400612339
Energy: 0.7626363483607815
Energy: 1.011025233153591
Energy: 0.9289820779858567
Energy: 1.0110252331530312
Energy: 0.8823914298254598
Energy: 1.0011404476759884
Energy: 0.8915670940307197
Energy: 1.0011404476743093
Energy: 0.8029765428941992
Energy: 0.9164370364272508
Energy: 0.9718834894501447
Energy: 0.9164370364278106
Energy: 0.8892871259839028
Energy: 1.029187784963469
Energy: 0.9460404170835508
Energy: 1.0291877849645883
Energy: 0.8609620319498908
Energy: 0.9822039763047846
Energy: 0.8624290626570997
Energy: 0.9822039763411381
Energy: 0.7822037173370451
Energy: 0.9812804370967054
Energy: 0.9577274294641426
Energy: 0.9812804370967054
Energy: 0.6545541114009399
Energy: 0.903535196792841
Energy: 0.9279071905658908
Energy: 0.9035351967939604
Energy: 0.9675704055987817
Energy: 1.0238896496010175
Energy: 0.7153044368017974
Energy: 1.023889649620581
Energy: 0.9534648617734073
Energy: 0.9946535739672694
Energy: 0.8842227448561838
Energy: 0.9946535739667096
Energy: 0.8967453704630333
Energy: 0.8197977365947262
Energy: 0.8907622289683358
Energy: 0.8197977365975244
Energy: 0.8985500462470851
Energy: 0.9900499853829059
Energy: 0.6553934566513221
Energy: 0.9900499853817867
Energy: 1.060803167037233
Energy: 1.0540280231513683
Energy: 0.8811940914279557
Energy: 1.054028023152488
Energy: 0.9902108507475028
Energy: 0.8642878617775875
Energy: 0.8373058870255945
Energy: 0.8642878617378759
Energy: 1.0098731688212954
Energy: 1.0065848674774494
Energy: 0.7173477096812524
Energy: 1.0065848674774494
Energy: 0.9153166779814792
Energy: 0.9179704751471542
Energy: 0.9081726350854786
Energy: 0.917970522861991
Energy: 1.0174075537547516
Energy: 0.8881876530371926
Energy: 0.8362298525950788
Energy: 0.8881876530416701
Energy: 0.9337446303817853
Energy: 0.8772017786726002
Energy: 0.5620879892029912
Energy: 0.8772017786709211
Energy: 0.7656247708996754
Energy: 0.9228939994609469
Energy: 0.878106197875913
Energy: 0.9228939996797045
Energy: 0.9230579715030532
Energy: 1.1121847147467203
Energy: 0.9213868595029687
Energy: 1.1121847147483994
Energy: 0.8050157258912939
Energy: 0.8756061968658039
Energy: 0.8557746789272077
Energy: 0.8756061968641249
Energy: 0.6786895149216423
Energy: 0.9624911334399563
Energy: 0.9536130898433901
Energy: 0.9624911334416353
Energy: 0.8880338796712183
Energy: 0.9921888233245264
Energy: 1.0132990640888286
Energy: 0.9921888237217196
Energy: 0.8294481624053812
Energy: 0.9735095836852651
Energy: 1.018030053462879
Energy: 0.9735095836897425
Energy: 0.7206426362980015
Energy: 0.8831770762299148
Energy: 1.0037294203305087
Energy: 0.8831770762282358
Energy: 0.8837740692269251
Energy: 0.9161941765257743
Energy: 0.7741658294639941
Energy: 0.9161941765263341
Energy: 0.8691996235997852
Energy: 1.042582730084056
Energy: 0.9504877010060248
Energy: 1.0425827300834962
Energy: 0.7232297844923421
Energy: 0.9240993149310683
Energy: 0.8569384873089047
Energy: 0.9240993149310683
Energy: 0.9168305199679303
Energy: 1.0246431930572248
Energy: 0.5790381572928768
Energy: 1.0246431930561055
Energy: 1.0526137114285214
Energy: 0.9867235147072526
Energy: 0.8338531101421836
Energy: 0.9867235144471042
Energy: 0.9886348436405644
Energy: 0.8736149532968295
Energy: 0.9129019497176302
Energy: 0.8736149532973891
Energy: 1.0089448707706201
Energy: 0.9586661464302965
Energy: 0.5895337676751983
Energy: 0.9586661464314158
Energy: 1.124059473376975
Energy: 0.9752498593267378
Energy: 0.8680877278554641
Energy: 0.9752498593278571

minimum gb energy = 0.5620879892029912 eV
minimum distance =  2.55482462858476 Angstroms
sigma value = 37


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

Energy: 0.6128283226472885
Energy: 0.9764299194807855
Energy: 0.8964142830044781
Energy: 0.9764299197079438
Energy: 0.9233090662195195
Energy: 0.9807638641504759
Energy: 0.8581686672914062
Energy: 0.9807638641504759
Energy: 0.9098696639313765
Energy: 0.8050549770867876
Energy: 0.7015586122113736
Energy: 0.8050549770867876
Energy: 0.7253218819223715
Energy: 1.051907862050677
Energy: 0.8851931056776139
Energy: 1.051907862050677
Energy: 0.8277307379812816
Energy: 0.9647789855932184
Energy: 0.8387162998264402
Energy: 0.9647789829666081
Energy: 0.8365078917252554
Energy: 0.8360597160773023
Energy: 1.0112014617327842
Energy: 0.8360597160773023
Energy: 0.7686828626771544
Energy: 0.9832933046072699
Energy: 0.8909928491592003
Energy: 0.9832933046072699
Energy: 0.890017428863466
Energy: 1.102201428863337
Energy: 0.8580218603351278
Energy: 1.102201428863337
Energy: 0.7723482507284483
Energy: 0.8622927252644222
Energy: 1.0246495692881605
Energy: 0.8622927252644222
Energy: 0.7789282104138259
Energy: 0.8762874638031093
Energy: 0.9177979747070466
Energy: 0.8762874638021464
Energy: 0.896414283006404
Energy: 0.9764299195635736
Energy: 0.6128283226463256
Energy: 0.9764299196309333
Energy: 0.8581686672914062
Energy: 0.9807638641504759
Energy: 0.9232981410918728
Energy: 0.9807638641504759
Energy: 0.7015586122104108
Energy: 0.8050549770858246
Energy: 0.9098696639313765
Energy: 0.8050549770867876
Energy: 0.8851931056795397
Energy: 1.051907862050677
Energy: 0.7253218819223715
Energy: 1.051907862050677
Energy: 0.8387162998264402
Energy: 0.9647789803313537
Energy: 0.8277307379774519
Energy: 0.9647789831061857
Energy: 1.011201462490263
Energy: 0.8360597160773023
Energy: 0.8365078917021677
Energy: 0.8360597160773023
Energy: 0.8909928491601633
Energy: 0.9832933046072699
Energy: 0.7686828626771544
Energy: 0.9832933046072699
Energy: 0.8580218603351278
Energy: 1.102201428863337
Energy: 0.8900174283783804
Energy: 1.102201428863337
Energy: 1.0246495692881605
Energy: 0.8622927252644222
Energy: 0.7723482507284483
Energy: 0.8622927252644222
Energy: 0.9184734790147755
Energy: 0.8762874638021464
Energy: 0.7789282104147888
Energy: 0.8762874638021464

minimum gb energy = 0.6128283226463256 eV
minimum distance =  2.59157995737634 Angstroms
sigma value = 25


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

Energy: 0.8056093984385821
Energy: 0.9730110994043978
Energy: 0.9302133801281111
Energy: 0.9730112703578712
Energy: 0.8609211330631484
Energy: 0.8884476471035266
Energy: 0.7306482236126683
Energy: 0.8884476471674042
Energy: 0.9030960687603482
Energy: 0.8287248477513969
Energy: 0.7945027553249204
Energy: 0.8287248477513969
Energy: 0.695139827224166
Energy: 0.8591271622278288
Energy: 0.8589897602995825
Energy: 0.8591271639511738
Energy: 0.9410905639043482
Energy: 0.9264339412510493
Energy: 0.8253715537969252
Energy: 0.9264339412510493
Energy: 0.8213942289355584
Energy: 0.797806316045058
Energy: 0.969060385324507
Energy: 0.797806316045058
Energy: 0.7928480148436634
Energy: 0.9483760640438654
Energy: 0.8164133778759899
Energy: 0.9483760639627113
Energy: 0.8553596252254224
Energy: 0.9449682961916416
Energy: 0.6771803644128992
Energy: 0.9449682961916416
Energy: 0.7695365992862325
Energy: 0.7614648461958669
Energy: 0.9681851738605055
Energy: 0.7614648461951149
Energy: 0.7024400844527494
Energy: 0.9590109642465942
Energy: 1.0026860539705216
Energy: 0.9590109642465942
Energy: 0.9598160658312896
Energy: 0.993059914021095
Energy: 0.7257774581680906
Energy: 0.993059914021095
Energy: 0.5371395455190464
Energy: 0.9207711765208282
Energy: 0.956993702173894
Energy: 0.9207711765208282
Energy: 0.7132738376205977
Energy: 0.7875262366915289
Energy: 0.9509212222489769
Energy: 0.7875262366915289
Energy: 0.8302811171864437
Energy: 0.8645773065412813
Energy: 0.7789298953262724
Energy: 0.8645773065405293
Energy: 0.7377224312329653
Energy: 0.9320217073185089
Energy: 0.9030123242200043
Energy: 0.9320217073185089
Energy: 0.804295082736041
Energy: 0.8105229463453439
Energy: 0.9753055116244944
Energy: 0.8105229463453439
Energy: 0.7669703232509328
Energy: 0.9116619043409576
Energy: 0.8508313256705187
Energy: 0.9116619043409576
Energy: 0.6960999895761107
Energy: 0.9287696174971105
Energy: 0.8450320547214516
Energy: 0.9287696174971105
Energy: 0.9021005509465115
Energy: 0.8524514343482879
Energy: 0.7336509263281892
Energy: 0.852451434347536
Energy: 0.8252025848312041
Energy: 0.970025256949502
Energy: 0.8375901031333078
Energy: 0.9700252571501747
Energy: 0.6767574510588624
Energy: 0.9717140209249655
Energy: 0.8151955520109291
Energy: 0.9717140209257173
Energy: 0.9012917782168798
Energy: 0.8865580393121153
Energy: 0.6550725440173222
Energy: 0.886558039312867
Energy: 1.0219701298770865
Energy: 0.9033514725245471
Energy: 0.7797216838080188
Energy: 0.9033514689989245
Energy: 0.8070398792238296
Energy: 0.9013023571303339
Energy: 0.8292990437415466
Energy: 0.9013023571303339
Energy: 0.9895004759551959
Energy: 0.840255408678968
Energy: 0.5407183412439255
Energy: 0.840255408678968
Energy: 0.9700528429495072
Energy: 0.7759725263294138
Energy: 0.7743846800316365
Energy: 0.7759725263294138

minimum gb energy = 0.5371395455190464 eV
minimum distance =  2.60298008018563 Angstroms
sigma value = 41


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

Energy: 0.9964607329742299
Energy: 0.9371481781307665
Energy: 0.9390839343914734
Energy: 0.9371481788202515
Energy: 0.8826264717024705
Energy: 0.8714857206860808
Energy: 0.5975866402904662
Energy: 0.8714857206873136
Energy: 0.9207103563898938
Energy: 0.7634855260174132
Energy: 0.771830391597857
Energy: 0.7634855259144963
Energy: 0.7871424342966196
Energy: 0.839904269501928
Energy: 0.8116800649983218
Energy: 0.8399042695302562
Energy: 0.8606177936242075
Energy: 0.8774154469533252
Energy: 0.7151087623030186
Energy: 0.8774154469551746
Energy: 0.8600250261624534
Energy: 0.8177280463970077
Energy: 0.8771860299145133
Energy: 0.8177280463957748
Energy: 0.7401800388983534
Energy: 0.9535062607723283
Energy: 0.7805434959925052
Energy: 0.953506260771712
Energy: 0.8520918535892154
Energy: 0.8610122330935435
Energy: 0.592222212186899
Energy: 0.8610122330947764
Energy: 0.7395488809213066
Energy: 0.7417816510152002
Energy: 0.9270923882896706
Energy: 0.7417816510145837
Energy: 0.6637975430367294
Energy: 0.890205581784494
Energy: 0.9050628991550449
Energy: 0.8902055817851106
Energy: 0.8004662301809595
Energy: 0.8897679696747204
Energy: 0.8245536489737255
Energy: 0.8897679696759533
Energy: 0.5551168643192781
Energy: 0.8067755673486353
Energy: 0.9072036805459588
Energy: 0.8067755673498682
Energy: 0.714791296733272
Energy: 0.8217458476340769
Energy: 0.9869112454479995
Energy: 0.8217458476346934
Energy: 0.8354334005780781
Energy: 0.8810297694753616
Energy: 0.886856940227975
Energy: 0.8810297694747452
Energy: 0.46438369471384394
Energy: 0.8370455362766958
Energy: 0.9631738939774344
Energy: 0.8370455362760792
Energy: 0.7514553548327189
Energy: 0.7864080877060742
Energy: 1.0454646901929947
Energy: 0.7864080877036363
Energy: 0.763863261693428
Energy: 0.949343797093594
Energy: 0.9931327961080375
Energy: 0.9493437970929774
Energy: 0.4821790278800794
Energy: 0.8448090610468505
Energy: 0.8933906941702777
Energy: 0.844809061047467
Energy: 0.816810822987419
Energy: 0.8588209887236573
Energy: 0.8602802574540649
Energy: 0.8588209887242737
Energy: 0.7936055029347706
Energy: 0.8062278398201201
Energy: 0.8762448954717903
Energy: 0.8062278398201201
Energy: 0.6087176928467847
Energy: 0.8801318005948067
Energy: 0.8933398446151943
Energy: 0.8801318005935737
Energy: 0.8865343255886516
Energy: 0.8455978551071186
Energy: 0.7337636905375582
Energy: 0.8455978551071186
Energy: 0.8677606270763112
Energy: 0.963429570934597
Energy: 0.8374067404809966
Energy: 0.963429570934597
Energy: 0.7202001072592562
Energy: 0.8775046579299611
Energy: 0.8486058442739638
Energy: 0.8775046579299611
Energy: 0.8670625415186343
Energy: 0.8558981151093935
Energy: 0.5073099795055939
Energy: 0.8558981151093935
Energy: 0.9398647066253949
Energy: 0.9329900497233307
Energy: 0.8573825100616306
Energy: 0.9329900497227143
Energy: 0.8888579477960632
Energy: 0.818402818822939
Energy: 0.8129234276343559
Energy: 0.818402818822939
Energy: 0.9375116170795161
Energy: 0.8270684571359707
Energy: 0.5382183935620866
Energy: 0.8270684571378201
Energy: 0.9545143081266029
Energy: 0.8533489548764509
Energy: 0.7450119489001805
Energy: 0.8533489550150933
Energy: 0.9667966210640737
Energy: 0.7479611988045336
Energy: 0.7520650938476007
Energy: 0.7479611988143965
Energy: 0.9560465581345649
Energy: 0.7907796929607593
Energy: 0.48366792817402127
Energy: 0.7907796929496635
Energy: 0.9495075257509284
Energy: 0.7695432524082502
Energy: 0.7962196851248531
Energy: 0.7695432522800871

minimum gb energy = 0.46438369471384394 eV
minimum distance =  2.6141037744075 Angstroms
sigma value = 15


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

Energy: 0.804347921435031
Energy: 0.9766658840993058
Energy: 0.9095570822756958
Energy: 0.9766658840977389
Energy: 0.9324818935650793
Energy: 0.9164103079342918
Energy: 0.6402775938997785
Energy: 0.9164103079332474
Energy: 0.9211205209335305
Energy: 0.7887401688847816
Energy: 0.7069401982356937
Energy: 0.7887401688821706
Energy: 0.7971241379510614
Energy: 0.8326535047193271
Energy: 0.7650528182362497
Energy: 0.8326535044588634
Energy: 0.9499449992174838
Energy: 0.8222690684677837
Energy: 0.6160478181324403
Energy: 0.8222690684683059
Energy: 0.9082194233503442
Energy: 0.7405459868413014
Energy: 0.7778261927300439
Energy: 0.7405459868407792
Energy: 0.7352263033944866
Energy: 0.9184725216067666
Energy: 0.7809548821970353
Energy: 0.918472521607811
Energy: 0.8504991809888948
Energy: 0.856240756051342
Energy: 0.5703908684350704
Energy: 0.8562407560508197
Energy: 0.740258523860575
Energy: 0.7964651783172759
Energy: 0.8607355086254413
Energy: 0.7964651783167536
Energy: 0.6838264013392721
Energy: 0.8846799608667876
Energy: 0.8679940870130433
Energy: 0.8846799608667876
Energy: 0.8194951924627105
Energy: 0.9034645363135418
Energy: 0.7107026443322182
Energy: 0.9034645363124975
Energy: 0.6430930358138972
Energy: 0.8887594943439668
Energy: 0.8763662863489685
Energy: 0.8887594943439668
Energy: 0.7772802137379302
Energy: 0.8827595524473083
Energy: 0.8583182485540835
Energy: 0.8827595524473083
Energy: 0.8074874578699299
Energy: 0.8054600150479494
Energy: 0.7725538863340458
Energy: 0.8054600150479494
Energy: 0.5019654187290521
Energy: 0.8271750648769153
Energy: 0.8815613467976378
Energy: 0.8271750648769153
Energy: 0.7108317434588399
Energy: 0.7662071699632121
Energy: 0.9605724558055763
Energy: 0.7662071699569694
Energy: 0.7850555999930224
Energy: 0.8421339717877137
Energy: 1.0286151646817974
Energy: 0.8421339717877137
Energy: 0.40731213459033305
Energy: 0.7585061061793094
Energy: 0.9511563621289392
Energy: 0.7585061061793094
Energy: 0.7336827864748126
Energy: 0.8061910337697257
Energy: 0.9647964404227063
Energy: 0.8061910313279237
Energy: 0.7478773574378722
Energy: 0.8071425684663994
Energy: 1.0393000482134789
Energy: 0.8071425684663994
Energy: 0.4039913644669143
Energy: 0.8263407276628274
Energy: 0.8692290054859804
Energy: 0.8263407276628274
Energy: 0.7861122508907602
Energy: 0.7812802261147256
Energy: 0.8847493958728038
Energy: 0.7812802261147256
Energy: 0.7257914970208069
Energy: 0.8988425342373879
Energy: 0.9094141350596647
Energy: 0.8988425342373879
Energy: 0.6712984235114678
Energy: 0.8751053331207531
Energy: 0.8591920445505442
Energy: 0.8751053331207531
Energy: 0.8072715978203635
Energy: 0.8444284307499506
Energy: 0.6170991200797429
Energy: 0.8444284307499506
Energy: 0.8437093592894239
Energy: 0.8558107956103903
Energy: 0.8336387854624092
Energy: 0.855810795609346
Energy: 0.7660594867325257
Energy: 0.8238528830019874
Energy: 0.8298359865519851
Energy: 0.8238528830009431
Energy: 0.826743791301613
Energy: 0.8744001499327906
Energy: 0.6200027998033532
Energy: 0.8744001499322683
Energy: 0.8276030887976928
Energy: 0.8471145049281937
Energy: 0.8007234930348738
Energy: 0.8471145049276715
Energy: 0.9093108637130731
Energy: 0.7296599244276832
Energy: 0.7724664053795295
Energy: 0.7296599244282054
Energy: 0.8699252513602163
Energy: 0.8398416376332926
Energy: 0.5535150194213291
Energy: 0.8398416376332926
Energy: 0.7727051625571697
Energy: 0.8984438091894432
Energy: 0.7856891560058197
Energy: 0.8984438091920544
Energy: 0.9266422072667642
Energy: 0.7137757371618954
Energy: 0.6828343703060495
Energy: 0.7137757370491457
Energy: 0.9949956362480951
Energy: 0.8641987176403751
Energy: 0.6186878324753524
Energy: 0.8641987176398529
Energy: 0.8540454905038808
Energy: 0.8728418417714897
Energy: 0.7602393727751484
Energy: 0.8728418412009764
Energy: 0.9571504503907995
Energy: 0.8627284579176963
Energy: 0.6706946922233249
Energy: 0.8627284579176963
Energy: 0.9268631050510224
Energy: 0.8551104518133223
Energy: 0.5844879972899414
Energy: 0.8551104518117556

minimum gb energy = 0.4039913644669143 eV
minimum distance =  2.60189915574176 Angstroms
sigma value = 85


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

Energy: 0.8651886848908767
Energy: 0.9127191518792723
Energy: 0.8283698247415946
Energy: 0.9127191518765548
Energy: 0.9318110359965344
Energy: 0.879290899482978
Energy: 0.5979422074056233
Energy: 0.879290899482978
Energy: 0.8783464989360078
Energy: 0.8377433240070749
Energy: 0.6675551454978976
Energy: 0.837743324011604
Energy: 0.7802108308995971
Energy: 0.7869048594672688
Energy: 0.7386448918727094
Energy: 0.7869048595184275
Energy: 0.8481357065932099
Energy: 0.7948473327689752
Energy: 0.543587355281836
Energy: 0.7948473327689752
Energy: 0.8456625940777104
Energy: 0.7540438808745689
Energy: 0.7388062300077932
Energy: 0.7540438808750219
Energy: 0.8260753137282107
Energy: 0.8374619401574648
Energy: 0.7346866216592773
Energy: 0.8374619401570118
Energy: 0.8432619260885694
Energy: 0.8598253831928511
Energy: 0.5873123111971369
Energy: 0.8598253831928511
Energy: 0.882111167126452
Energy: 0.7492603713148501
Energy: 0.7822654811454938
Energy: 0.7492603713143972
Energy: 0.7675207789499402
Energy: 0.8385166911575134
Energy: 0.7831990152838374
Energy: 0.8385166911570605
Energy: 0.80368329643811
Energy: 0.8770409843579033
Energy: 0.656703286207
Energy: 0.8770409843579033
Energy: 0.6801653082369311
Energy: 0.796041706058198
Energy: 0.8273321084502253
Energy: 0.796041706058198
Energy: 0.752867943650536
Energy: 0.8201353591561047
Energy: 0.8785671140381793
Energy: 0.8201353591524814
Energy: 0.7808365594447965
Energy: 0.7834839242010703
Energy: 0.7398579820220202
Energy: 0.7834839241630462
Energy: 0.46423414118162537
Energy: 0.8163648417044242
Energy: 0.8768511319616384
Energy: 0.8163648417039713
Energy: 0.6983253973191937
Energy: 0.7444108554544744
Energy: 0.88899388601246
Energy: 0.7444108554852724
Energy: 0.7216897522865222
Energy: 0.7219836530391256
Energy: 0.8965597067078546
Energy: 0.7219836528435702
Energy: 0.41548421584654893
Energy: 0.7639640143682804
Energy: 0.9104813448883763
Energy: 0.7639640143682804
Energy: 0.7063987948932132
Energy: 0.8346062737228135
Energy: 1.050676837939602
Energy: 0.8346062737219077
Energy: 0.7011840507577344
Energy: 0.7528663486673681
Energy: 1.0325353532148076
Energy: 0.7528663486669154
Energy: 0.40813335774318615
Energy: 0.7842259260715387
Energy: 0.8673481719227749
Energy: 0.7842259260719917
Energy: 0.7388679122942198
Energy: 0.7481371858290488
Energy: 0.9109953119862898
Energy: 0.7481371858240669
Energy: 0.6856711743634432
Energy: 0.8726567584945896
Energy: 0.928404137742595
Energy: 0.8726567580636019
Energy: 0.5322052485539963
Energy: 0.8072173494193154
Energy: 0.8869102790907852
Energy: 0.8072173494193154
Energy: 0.7770253718796222
Energy: 0.7875898674595625
Energy: 0.695418813675341
Energy: 0.7875898678072348
Energy: 0.657014282733737
Energy: 0.8266319500654663
Energy: 0.9032502954602412
Energy: 0.8266319500749775
Energy: 0.6561966918600479
Energy: 0.7526301352083467
Energy: 0.8581479320536539
Energy: 0.7526301352087995
Energy: 0.7640914116086261
Energy: 0.885715839813831
Energy: 0.7132155898869388
Energy: 0.8857158398129251
Energy: 0.7173663044957723
Energy: 0.8377890686194867
Energy: 0.8081302466673486
Energy: 0.8377890686185809
Energy: 0.8074357954199453
Energy: 0.7242916033328376
Energy: 0.8521746043305592
Energy: 0.7242916033319318
Energy: 0.7760791736209262
Energy: 0.8952421273696124
Energy: 0.6590512068017345
Energy: 0.8952421273696124
Energy: 0.6992100148618176
Energy: 0.8406282409294876
Energy: 0.7784052434261034
Energy: 0.8406282409290348
Energy: 0.8224326084301735
Energy: 0.7986590507140316
Energy: 0.7797012588776278
Energy: 0.7986590507131257
Energy: 0.8271472811760544
Energy: 0.8331238460982604
Energy: 0.6574714537930249
Energy: 0.8331238460987135
Energy: 0.6386578006151504
Energy: 0.8326446905146535
Energy: 0.7935969838295129
Energy: 0.8326446905151063
Energy: 0.8449178172796199
Energy: 0.786047081693297
Energy: 0.6565541899807131
Energy: 0.786047081692844
Energy: 0.8589281712726863
Energy: 0.8396114141573987
Energy: 0.696450292866214
Energy: 0.8396114140496466
Energy: 0.792765775577552
Energy: 0.7663767339586093
Energy: 0.7581750541357792
Energy: 0.7663767339586093
Energy: 0.8537643100569758
Energy: 0.8246155242875192
Energy: 0.5206701807679129
Energy: 0.8246155242870662
Energy: 0.9718240671320176
Energy: 0.6799835365609355
Energy: 0.7032330540871501
Energy: 0.6799835384351506
Energy: 0.8823369944960272
Energy: 0.7448933724504093
Energy: 0.6917893214825795
Energy: 0.7448933724612793
Energy: 0.8858781403964354
Energy: 0.7722600446442428
Energy: 0.4017318081291602
Energy: 0.7722600446437898
Energy: 1.0150552471653609
Energy: 0.7209572659610534
Energy: 0.705151679839455
Energy: 0.7209573083462004

minimum gb energy = 0.4017318081291602 eV
minimum distance =  2.58265766214038 Angstroms
sigma value = 113


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

Energy: 0.00976397898608263
Energy: 0.7890978745223435
Energy: 0.7409999002646869
Energy: 0.7889298981544934
Energy: 0.4910832824579213
Energy: 0.40488901249954024
Energy: 0.5752211911496106
Energy: 0.4048890124998691
Energy: 0.24002255933260339
Energy: 0.41454499589766075
Energy: 0.4160240467198657
Energy: 0.41454499589663557
Energy: 0.010929621812478328
Energy: 0.38023915118589363
Energy: 0.49458806648171433
Energy: 0.3901287547337242
Energy: 0.8929836532239076
Energy: 0.4020949034388498
Energy: 0.5690703706711084
Energy: 0.40209490343850157
Energy: 0.23891598308956416
Energy: 0.4153575887275176
Energy: 0.45934303933244536
Energy: 0.4153575886529886

minimum gb energy = 0.00976397898608263 eV
minimum distance =  2.74157030465463 Angstroms
sigma value = 1