Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.593729183077813
cohesive_energy=4.272647501189812
mass=55.845
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=[1.97349709069584e-19, 2.7964711405162796e-19, 3.41601682311774e-19, 3.92224055239638e-19, 4.34604831562206e-19, 4.707659581915859e-19, 5.01998789494782e-19, 5.2918292044386e-19, 5.5295922169242e-19, 5.73808346230662e-19, 5.921052033909419e-19, 6.081461958505499e-19, 6.221764566344879e-19, 6.3439305346873795e-19, 6.44967419253138e-19, 6.5404054553148e-19, 6.617357999045819e-19, 6.681573238536539e-19, 6.734012479767359e-19, 6.775476811055279e-19, 6.806703233651939e-19, 6.828316596444599e-19, 6.840909704787839e-19, 6.844995255204539e-19, 6.84062131299372e-19, 6.82650613684818e-19, 6.80096744130222e-19, 6.7620665926287e-19, 6.707063868783479e-19, 6.63160134932208e-19, 6.52995926366112e-19, 6.39471953398518e-19, 6.216156948125879e-19, 5.9815982889082795e-19, 5.67423672344172e-19, 5.27168984414922e-19, 4.74391683914328e-19, 4.05011026955592e-19, 3.13432212732786e-19, 1.9187987804110797e-19, 2.9419167353508e-20, -1.8913855382033397e-19, -4.85084610769644e-19, -8.893666473567658e-19, -1.447939895974722e-18, -2.2309508540133e-18, -3.3492861663116395e-18, -4.9843074213086394e-18, -7.445010404637539e-18, -1.127196951260994e-17, -1.7427996771661798e-17, -2.76128734163364e-17, -4.4543714778467996e-17, -7.07638160468682e-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: 0.016675141612587853
Energy: 0.5346644947397092
Energy: 0.01717567471484518
Energy: 0.016854800658241704
Energy: 0.9571541386204
Energy: 0.017060861192477683
Energy: 0.5346644947397092
Energy: 0.11166908551129903
Energy: 0.11187397712240424
Energy: 0.11179433744508094
Energy: 0.5340242996738549
Energy: 0.1118189210895582
Energy: 0.01717567471484518
Energy: 0.11187397712180486
Energy: 0.11271737836042224
Energy: 0.017249373133458794
Energy: 0.5343364399020719
Energy: 0.11255340131085471
Energy: 0.016854800657924367
Energy: 0.11179433744508094
Energy: 0.017249373133458794
Energy: 0.016931705768638998
Energy: 0.5339926435369405
Energy: 0.017079903639142163
Energy: 0.9571541386206821
Energy: 0.5340242996741723
Energy: 0.5343364399023892
Energy: 0.5339926435372578
Energy: 0.6532704733229151
Energy: 0.5343669665659556
Energy: 0.017060861191560948
Energy: 0.11181892108895881
Energy: 0.11255340130775193
Energy: 0.017079903638225424
Energy: 0.5343669665659556
Energy: 0.017245168338566375

minimum gb energy = 0.016675141612587853 eV
minimum distance =  2.53731151127179 Angstroms
sigma value = 1


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

Energy: 1.386791790360841
Energy: 1.3647866609337185
Energy: 0.8243427165042237
Energy: 1.3889733551034038
Energy: 1.366472477108399
Energy: 1.0505333055963095
Energy: 1.4167996816326984
Energy: 0.8020039266883907
Energy: 0.8011885799925539
Energy: 0.8311346589259492
Energy: 0.8001340740145272
Energy: 0.8011842897064428
Energy: 1.4346570255806697
Energy: 0.8047756768677032
Energy: 0.8039275474350037
Energy: 0.8363106860799855
Energy: 0.8281502731409435
Energy: 0.8059939254308763
Energy: 1.4610033583613957
Energy: 0.8238622883797713
Energy: 0.8345112876511815
Energy: 1.4625760518205844
Energy: 0.8240183434423981
Energy: 0.8371289358013407
Energy: 1.389966457651834
Energy: 0.8362258854784068
Energy: 0.845646025470932
Energy: 0.853453761898363
Energy: 0.841938334216262
Energy: 0.8342582452724719
Energy: 1.3125597335255381
Energy: 0.8438833055576304
Energy: 0.8741471031456057
Energy: 0.8047073799839235
Energy: 0.8810056580412885
Energy: 0.8757865232084244
Energy: 1.312723732466808
Energy: 0.807440616425719
Energy: 0.8100238415381984
Energy: 1.3126151587346306
Energy: 0.8057021760403958
Energy: 0.801597822581465
Energy: 1.3350859095867837
Energy: 0.8845354730870155
Energy: 0.890029821330338
Energy: 0.8813570930300645
Energy: 0.8751714300175303
Energy: 0.8770945727925546
Energy: 1.0605414891368334
Energy: 0.8682343978022468
Energy: 0.8686481748187096
Energy: 1.0345938477118863
Energy: 0.8674762892642389
Energy: 0.8724696328809521
Energy: 1.0591546445635753
Energy: 0.8539115438291486
Energy: 0.8488407905461363
Energy: 1.0329793449541205
Energy: 0.8527899302685351
Energy: 0.8378209834772838
Energy: 1.2072100504703158
Energy: 0.8570199515974573
Energy: 0.8492573517026768
Energy: 0.8413468563577557
Energy: 0.8591247937808953
Energy: 0.8074623902684454
Energy: 0.9087732575847256
Energy: 0.8096918895116133
Energy: 0.8088835121178768
Energy: 0.8258392899029492
Energy: 0.8573267290526967
Energy: 0.8023841450590817
Energy: 0.9105199842470855
Energy: 0.7996374658402947
Energy: 0.810204536946266
Energy: 0.7869350482461352
Energy: 0.8246074671723262
Energy: 0.8012262564467881
Energy: 0.9818297824355651
Energy: 0.8366075094686231
Energy: 0.8342313255360707
Energy: 0.8921441482954294
Energy: 0.8036942043657048
Energy: 0.8268679283318754
Energy: 0.9522735678651479
Energy: 0.8435540699186906
Energy: 0.8063438645693563
Energy: 0.8750979330079646
Energy: 0.8361537822674858
Energy: 0.8065641741366943
Energy: 0.949866118414415
Energy: 0.8408187122482966
Energy: 0.8369344441652381
Energy: 0.8737944568632495
Energy: 0.8403442747156912
Energy: 0.8427548778049794
Energy: 1.2689220475850158
Energy: 0.8762128638808823
Energy: 0.8597005698916129
Energy: 0.8393420878561557
Energy: 0.8613198193010639
Energy: 0.8391731014179377
Energy: 1.195438103779707
Energy: 0.8046521364139608
Energy: 0.8007887080144444
Energy: 1.197943795020745
Energy: 0.825586276876935
Energy: 0.8022591507386538
Energy: 1.197252253449555
Energy: 0.8386040935415822
Energy: 0.8714374944898289
Energy: 1.0780141107843468
Energy: 0.881500358206638
Energy: 0.8628856317497005
Energy: 1.3936948619797986
Energy: 0.8354643546286805
Energy: 0.8566534891477852
Energy: 0.8851911818018058
Energy: 0.8845242062621708
Energy: 0.8841718959486239
Energy: 1.384258870971254
Energy: 0.8386926551562794
Energy: 0.8611854442341592
Energy: 1.3870508088808386
Energy: 0.8417882311747804
Energy: 0.8587383841378942
Energy: 1.364624040270303
Energy: 0.8409487839278483
Energy: 0.8428469307136355
Energy: 0.8576796612583073
Energy: 0.8392792137694153
Energy: 0.8368302460116828
Energy: 1.405680297262666
Energy: 0.8256957896295459
Energy: 0.8013791449750255
Energy: 0.7922546136135398
Energy: 0.801606087764826
Energy: 0.8051137063772579

minimum gb energy = 0.7869350482461352 eV
minimum distance =  2.36587447641589 Angstroms
sigma value = 33


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

Energy: 1.7180390468569258
Energy: 0.927900347811139
Energy: 0.9153956778939203
Energy: 1.5527153716809856
Energy: 0.8854878833822862
Energy: 0.965656579367085
Energy: 0.8760697763341192
Energy: 0.8897732719699163
Energy: 0.8919487906667
Energy: 0.908184177883022
Energy: 0.8933145997156161
Energy: 0.8870946668227789
Energy: 1.4477149006519916
Energy: 0.9064733615846613
Energy: 0.896730456180837
Energy: 1.0175487243013428
Energy: 0.8797238731691794
Energy: 0.9053870049412933
Energy: 1.4549907519660628
Energy: 0.9126274964509915
Energy: 0.9328365259626732
Energy: 1.4568433682669815
Energy: 1.0209096594037217
Energy: 1.0210128876896507
Energy: 1.3406480270211545
Energy: 0.9116502143177477
Energy: 0.8736848343614506
Energy: 0.8908897258815744
Energy: 0.9832908650561603
Energy: 0.8744713324741986
Energy: 1.3775857877688202
Energy: 0.898454878562168
Energy: 1.0554704867115585
Energy: 1.1162043127376415
Energy: 0.9076724209810783
Energy: 0.9253668316463933
Energy: 1.3642873328798697
Energy: 0.997317541075408
Energy: 0.9735378129407662
Energy: 1.1162068882968166
Energy: 0.9720537962013395
Energy: 1.0247290361628971
Energy: 1.2737272669497244
Energy: 1.0131491617278385
Energy: 1.0138949857124149
Energy: 0.9395671442160697
Energy: 1.0631280741964504
Energy: 0.9861887783634008
Energy: 1.187024763602667
Energy: 1.0180520643896793
Energy: 0.978755812295727
Energy: 1.1648127386167526
Energy: 1.080763496328731
Energy: 1.036787217469961
Energy: 1.169511481912415
Energy: 0.9894534157988085
Energy: 0.988390932489038
Energy: 1.1767310080877293
Energy: 0.9979344128058679
Energy: 0.9815623845406858
Energy: 0.977366687888724
Energy: 0.9768874609981668
Energy: 0.9779530581129899
Energy: 1.0134149185323804
Energy: 0.9206530963283382
Energy: 0.908257153819251
Energy: 1.0173917320128019
Energy: 0.9898367738177797
Energy: 0.9898589533011957
Energy: 1.0028226785173056
Energy: 0.9381783093812346
Energy: 0.9864288147264972
Energy: 1.0192983792669768
Energy: 1.0315297648038826
Energy: 1.0351385450178772
Energy: 1.0062561592171022
Energy: 1.0182133099763209
Energy: 1.0230925628731524
Energy: 1.0098744636514279
Energy: 1.0065136538630657
Energy: 1.0185540963588067
Energy: 1.1390522918033628
Energy: 1.4143563392691245
Energy: 1.013950191177576
Energy: 1.0928249838063278
Energy: 1.0275340835065747
Energy: 1.0158186779139657
Energy: 1.0812933853805322
Energy: 1.0674175855090768
Energy: 1.0112904426439393
Energy: 1.0877040558708928
Energy: 1.1157549528084973
Energy: 1.017391042306301
Energy: 1.095512835663939
Energy: 1.1144231300694203
Energy: 1.0079336375924586
Energy: 1.2915208554561879
Energy: 1.1604998718410184
Energy: 1.0260408280831526
Energy: 1.0979883804509387
Energy: 1.1331124991508008
Energy: 1.1054175762836969
Energy: 1.313474740700953
Energy: 1.0068612688960152
Energy: 0.9806309912177493
Energy: 1.316484889858529
Energy: 1.0472892064621049
Energy: 0.9747335808680635
Energy: 1.3150946737692937
Energy: 0.9986775036390073
Energy: 1.1071456966486009
Energy: 1.2406907306544044
Energy: 1.1090377692120108
Energy: 1.1192580428148708
Energy: 1.4521618080791774
Energy: 1.0077402280924999
Energy: 1.07582639451096
Energy: 1.1479787103745447
Energy: 1.0988016450078644
Energy: 1.0940027371156802
Energy: 1.6365255661287432
Energy: 1.0015904744962294
Energy: 0.9661482664825719
Energy: 1.6383901844375792
Energy: 0.9941276839073679
Energy: 0.9676376792431397
Energy: 1.4699850528099225
Energy: 1.1002352314041988
Energy: 1.0973006857777126
Energy: 1.0137928479014602
Energy: 1.0983052776443991
Energy: 1.0882264113994642
Energy: 1.3974078887377062
Energy: 1.1120580116778902
Energy: 1.115478145917682
Energy: 0.9960315065621165
Energy: 1.0969162209885677
Energy: 1.0243917322003488
Energy: 1.4549374750291704
Energy: 1.4965461666111326
Energy: 1.4998790174359726
Energy: 1.4590565883250373
Energy: 1.1853585873069468
Energy: 1.0359090538953935
Energy: 1.3602849054522632
Energy: 1.014190977681843
Energy: 1.01140358581357
Energy: 1.0309145773041695
Energy: 1.128073329253679
Energy: 1.1268573044592844
Energy: 1.3530608623933595
Energy: 1.1181180079172717
Energy: 1.1190577890243247
Energy: 1.1039056672078837
Energy: 1.044012736433639
Energy: 1.007114684727049
Energy: 1.3711461195954886
Energy: 0.9974532338922558
Energy: 1.0034109765761754
Energy: 1.3824806247458346
Energy: 1.092534468083606
Energy: 1.0065637432109593
Energy: 1.3313466614472018
Energy: 1.0130764868844908
Energy: 1.0226358331920367
Energy: 1.200174114661198
Energy: 1.0818627808406072
Energy: 1.029605988168446
Energy: 1.198812397279365
Energy: 1.0159570381397132
Energy: 1.0373865743824084
Energy: 1.1740950621374713
Energy: 1.0301034967791862
Energy: 1.0218744526148822
Energy: 1.158528154523902
Energy: 1.0030106964652885
Energy: 1.004072010566361
Energy: 1.152163155013064
Energy: 1.0864226599871114
Energy: 0.993685883260268
Energy: 0.9853277153502599
Energy: 0.9247665938305943
Energy: 0.9420350049194163
Energy: 0.992418969047634
Energy: 0.9933345904874068
Energy: 0.9671887153039156
Energy: 1.0355635776915486
Energy: 0.941026396698246
Energy: 0.9392363554189443
Energy: 1.0177576933616057
Energy: 0.9897408826048301
Energy: 0.9844047162545208
Energy: 1.0208856537593822
Energy: 1.003692821645393
Energy: 1.0028924092023528
Energy: 1.0246555746127386
Energy: 1.0101945175148492
Energy: 1.0102698240118775
Energy: 1.5412788579301062
Energy: 1.0201098458929498
Energy: 1.0046191516409626
Energy: 1.1229225469051263
Energy: 1.3791901206737254
Energy: 1.0072940929758345
Energy: 1.0613200327708963
Energy: 0.9965101100286095
Energy: 1.021753942837523
Energy: 1.0487671096487348
Energy: 0.9951609476150186
Energy: 1.1163869673874764
Energy: 1.1943749841713764
Energy: 0.8988775898827479
Energy: 1.0250665961564576
Energy: 1.1027811585332428
Energy: 0.8973552958692467
Energy: 0.8906242728572431
Energy: 1.2525709951258543
Energy: 0.9139457710416599
Energy: 0.8533146689254476
Energy: 0.9052828771664003
Energy: 0.9664643499848616
Energy: 0.8908988592339349
Energy: 1.3162402045811423
Energy: 1.0219642237208464
Energy: 0.9023993560448971
Energy: 1.2518180694608665
Energy: 0.9581982386936118
Energy: 1.0249149653729714
Energy: 1.3137689574294416
Energy: 0.8900978986120464
Energy: 0.9099641398944327
Energy: 1.2799350025746283
Energy: 0.8896784313135874
Energy: 1.0073295647941627
Energy: 1.4382157876075259
Energy: 0.8894403982131476
Energy: 0.8916293420816203
Energy: 0.8928562415030025
Energy: 0.8894423709724444
Energy: 0.9119027639160341
Energy: 1.4604572514499732
Energy: 0.8967713023226028
Energy: 0.8818871086168076
Energy: 0.934276692897029
Energy: 0.892055901316874
Energy: 0.9706371866603416

minimum gb energy = 0.8533146689254476 eV
minimum distance =  2.30811510611334 Angstroms
sigma value = 51


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

Energy: 1.428886602674918
Energy: 1.4867139751047884
Energy: 0.9418072531934774
Energy: 1.4291664962314792
Energy: 1.486459624035767
Energy: 0.9631741110801187
Energy: 1.5138701054477754
Energy: 0.9382310961058781
Energy: 0.9282903537944696
Energy: 0.8854498065762909
Energy: 0.9378540262337288
Energy: 0.9287423595961756
Energy: 1.3362375128741548
Energy: 0.932625523925411
Energy: 0.9293979446911459
Energy: 0.9164210851381526
Energy: 0.9386891419677349
Energy: 0.9295332507864601
Energy: 1.3343938967142648
Energy: 0.9054133682398108
Energy: 0.9057395710287676
Energy: 1.2653229197647524
Energy: 0.9075097950821094
Energy: 0.9096443075677354
Energy: 1.3526779054936031
Energy: 0.8889974356037149
Energy: 0.8752214240417597
Energy: 0.887101900989368
Energy: 0.888450107744544
Energy: 0.8775308465758153
Energy: 1.1722698586012519
Energy: 0.8883966037899547
Energy: 0.8826885713880713
Energy: 0.9835437886214805
Energy: 0.8891395605607948
Energy: 0.8747931878616978
Energy: 1.172861907687104
Energy: 0.8876060951445485
Energy: 0.8878682594414834
Energy: 1.1698794903722127
Energy: 0.8837884383127922
Energy: 0.9000080253251895
Energy: 1.2779223715351493
Energy: 0.8052615719219931
Energy: 0.8056474513784571
Energy: 0.8917824870464536
Energy: 0.918002545186885
Energy: 0.805691832485119
Energy: 0.9511539568244703
Energy: 0.9191024079246841
Energy: 0.9191429580071556
Energy: 0.9335944716586735
Energy: 0.8689406802811991
Energy: 0.9137563854728088
Energy: 0.9515269398023746
Energy: 0.9157521124602293
Energy: 0.9138964589620847
Energy: 0.9332676580617626
Energy: 0.9248138478601095
Energy: 0.9284137614933046
Energy: 0.9522319156335874
Energy: 0.9260282659636478
Energy: 0.9258915439588234
Energy: 1.051505829554262
Energy: 1.4895438197079398
Energy: 0.9278801452193726
Energy: 1.0242789753676262
Energy: 0.915997009329583
Energy: 0.9148697737381736
Energy: 1.0078941975855893
Energy: 0.9396193045594204
Energy: 0.9143894443278957
Energy: 1.0244994572603474
Energy: 0.921719252420549
Energy: 0.9224222692477494
Energy: 1.0098096294915482
Energy: 0.9114768545601352
Energy: 0.9220290764783711
Energy: 1.306382581776773
Energy: 0.9241374315770786
Energy: 0.9133935575524353
Energy: 1.2010387862972642
Energy: 0.9150005010700466
Energy: 0.9136528716102006
Energy: 1.2440602451548242
Energy: 0.9217522645937266
Energy: 0.921267836207344
Energy: 1.0588552210832154
Energy: 0.8517221493896007
Energy: 0.9211889783675943
Energy: 1.2442955834558975
Energy: 0.9141684179963419
Energy: 0.8554558956579996
Energy: 1.2476368697334774
Energy: 0.9138654938564648
Energy: 0.8936996365841715
Energy: 1.4184303250930432
Energy: 0.9202484623133554
Energy: 0.9197597542212342
Energy: 0.9186875059780363
Energy: 0.9224874841898587
Energy: 0.9106472753317646
Energy: 1.4243010193118413
Energy: 0.9273100825300222
Energy: 0.9300519482072792
Energy: 0.916196759754143
Energy: 0.9278057832001368
Energy: 0.9312425723372507

minimum gb energy = 0.8052615719219931 eV
minimum distance =  2.3788357796519 Angstroms
sigma value = 19


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

Energy: 1.3034665477030156
Energy: 0.9241044742041288
Energy: 0.9937039264538596
Energy: 1.3070610447031352
Energy: 0.9268896866997008
Energy: 0.9981781708615726
Energy: 1.2260821515012266
Energy: 0.9252522784944716
Energy: 0.9572672463744487
Energy: 0.9578585922011473
Energy: 0.9251112419984888
Energy: 0.957090277251042
Energy: 1.3486691539009994
Energy: 0.9250441809874885
Energy: 0.9245478336802815
Energy: 0.9089940538651022
Energy: 0.9235600266791099
Energy: 0.9236920717153639
Energy: 1.0883781165058835
Energy: 0.9268437763993836
Energy: 0.9254095966481689
Energy: 1.0878470966164258
Energy: 0.9234158444324875
Energy: 0.923302249771865
Energy: 1.2259970365373967
Energy: 0.9562871491639111
Energy: 0.9574488479807475
Energy: 0.9566566555686888
Energy: 0.9558322730583556
Energy: 0.9560304682697754
Energy: 1.0895248711894734
Energy: 0.9002268180883652
Energy: 0.9563655336385302
Energy: 1.0875348764449368
Energy: 0.9002663864400265
Energy: 0.9729789221593109
Energy: 1.0886423748712757
Energy: 0.9586098019324076
Energy: 0.956898686529872
Energy: 1.0879155381366188
Energy: 0.9078982973108333
Energy: 0.957668618725902
Energy: 1.1089937022859722
Energy: 0.9811560209099445
Energy: 0.9808729149562463
Energy: 0.9236411383783362
Energy: 0.9805279823896298
Energy: 0.900672097832899
Energy: 0.9268392691430877
Energy: 0.90108374941021
Energy: 0.9009191325567276
Energy: 0.9247367073773539
Energy: 0.9004528257046358
Energy: 0.900233124079827
Energy: 0.9277218963450443
Energy: 0.923783100853872
Energy: 0.923733764474635
Energy: 0.9273847837432466
Energy: 0.9563467946554132
Energy: 0.9235729504871361
Energy: 0.9279922080619215
Energy: 0.9683367104807611
Energy: 0.9668022607840635
Energy: 1.160571946718124
Energy: 0.9662861630473868
Energy: 1.1672561733337588
Energy: 1.090809337977005
Energy: 0.9569496142730596
Energy: 0.9566118375815044
Energy: 0.9250357516771006
Energy: 0.956325527016963
Energy: 0.9249365438706335
Energy: 0.9059016955591285
Energy: 0.9737544192604244
Energy: 0.9710521504268858
Energy: 0.9032827885973921
Energy: 0.9561708338478584
Energy: 0.971786792636776
Energy: 1.225865536666019
Energy: 0.9723634313481555
Energy: 0.9719912903921873
Energy: 0.909219214317093
Energy: 0.9724843852095276
Energy: 0.9712898033597892
Energy: 1.2637986476043541
Energy: 0.9575664079815495
Energy: 0.9573118336659405
Energy: 0.9815128282187829
Energy: 0.9253634918325728
Energy: 0.9004912881148629
Energy: 1.2642402059757791
Energy: 0.9586758379755865
Energy: 0.9005427487662145
Energy: 1.2668782785873618
Energy: 0.9575061388637812
Energy: 0.9806894796925832
Energy: 1.2260327715445818
Energy: 0.9248932018207452
Energy: 0.924936020130372
Energy: 0.9565444826694013
Energy: 0.9252696534519464
Energy: 0.9238055382790228
Energy: 1.091074636624446
Energy: 0.9237575004029217
Energy: 0.9252654756253412
Energy: 0.9659954174542158
Energy: 0.923613559231533
Energy: 0.9236838083356536
Energy: 1.0877720189849291
Energy: 0.9243693415380002
Energy: 0.9255989436668425
Energy: 0.9662015024139713
Energy: 0.9252020439336137
Energy: 0.9255306211913369
Energy: 1.2258672024922732
Energy: 0.9001380712375332
Energy: 0.9724322382905735
Energy: 0.9562350389792393
Energy: 0.9003508539392793
Energy: 0.9563660308867912
Energy: 1.087478495659979
Energy: 0.9737169068262477
Energy: 0.9724023474477739
Energy: 1.0888046209984292
Energy: 0.955604461342243
Energy: 0.9701449787539401
Energy: 1.0884940960969092
Energy: 0.971765333667914
Energy: 0.9729397020482199
Energy: 0.9709016742926752
Energy: 0.9078086641053468
Energy: 0.9712943408844951
Energy: 1.176980794217681
Energy: 0.9810861383535641
Energy: 0.9807068551556133
Energy: 1.1768970669530767
Energy: 0.9806525669633603
Energy: 0.9805644766942521
Energy: 0.9265343268294902
Energy: 0.9569593613994896
Energy: 0.9593014381891258
Energy: 0.9250993316220404
Energy: 0.9010688805106556
Energy: 0.9571754817600951
Energy: 0.9271319403477919
Energy: 0.9240172967936454
Energy: 0.9241597161297328
Energy: 0.924785183835472
Energy: 0.9247009880672128
Energy: 0.9245487444534441
Energy: 1.1097347474086685
Energy: 0.967662406050006
Energy: 0.9661232625534687
Energy: 1.109975354820916
Energy: 0.9664468864487227
Energy: 0.9266297727366312
Energy: 1.088812384303726
Energy: 0.9564677992500262
Energy: 0.9563919016887589
Energy: 0.9562040584465428
Energy: 0.9566263809083361
Energy: 0.9575398525235075
Energy: 0.905269181848083
Energy: 0.9726377634932138
Energy: 0.9738385918856804
Energy: 0.9002342667633064
Energy: 0.9721109281075376
Energy: 0.955803963531809
Energy: 1.2012639529167153
Energy: 0.9764364615179066
Energy: 0.97600603013644
Energy: 0.9087248560835158
Energy: 0.9744767254841725
Energy: 0.9571809169345931
Energy: 1.2651750788712661
Energy: 0.9583999918583652
Energy: 0.9014356762127562
Energy: 1.2676668833260452
Energy: 0.9242440764582478
Energy: 0.9807244292266495

minimum gb energy = 0.9001380712375332 eV
minimum distance =  2.36442634750196 Angstroms
sigma value = 27


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

Energy: 1.0760792824927008
Energy: 0.8548351116226638
Energy: 1.202704044118455
Energy: 0.816159137505113
Energy: 1.599711906605381
Energy: 1.1055230652528707
Energy: 1.2599421271177145
Energy: 0.8998989422696043
Energy: 0.8641326337315473
Energy: 0.8222585343745287
Energy: 0.8999888138507732
Energy: 0.8515799085852198
Energy: 1.0629339551737733
Energy: 0.902843401471422
Energy: 0.8660927577072653
Energy: 0.8737638379598744
Energy: 0.9010222633205024
Energy: 0.8168421689723468
Energy: 1.2597066217532487
Energy: 0.8658216771389352
Energy: 0.8659869056342301
Energy: 0.8265060039929367
Energy: 0.8654988323727761
Energy: 1.0426522558810263
Energy: 1.093574728215049
Energy: 0.8150502734107328
Energy: 0.8171941039205833
Energy: 0.866421202150789
Energy: 0.8229067286412595
Energy: 0.8173247352179963
Energy: 0.9021764213294816
Energy: 0.8350320115253818
Energy: 0.8835942547247976
Energy: 0.9028332418888599
Energy: 0.8212798870121732
Energy: 0.8839500244555336
Energy: 0.90253982702496
Energy: 0.82246617516537
Energy: 0.8224782053207832
Energy: 0.9028559763899932
Energy: 0.8233964212676721
Energy: 0.8167015155035459
Energy: 0.9481833340050636
Energy: 0.9623484329611197
Energy: 0.9605620879250428
Energy: 0.9496466002123082
Energy: 0.8153043237791919
Energy: 0.9932265369766481
Energy: 1.0400430304018637
Energy: 0.8196254699057361
Energy: 0.8216164792046446
Energy: 0.9003322233669686
Energy: 0.8194802958747809
Energy: 0.8186220455440277
Energy: 0.8620345882725127
Energy: 0.8236188559106588
Energy: 0.8160625806559503
Energy: 0.8649735054605854
Energy: 0.8238429372951208
Energy: 0.849176837029198
Energy: 0.9668878838005663
Energy: 0.8627661466783758
Energy: 0.8210188710928151
Energy: 0.9042990665729768
Energy: 0.8644930162386525
Energy: 0.8219614900678953
Energy: 1.3998625185444367
Energy: 0.8565021704037321
Energy: 0.8177587946806162
Energy: 0.8240486706905528
Energy: 0.8565253358333754
Energy: 0.8540574569771332

minimum gb energy = 0.8150502734107328 eV
minimum distance =  2.36825911419986 Angstroms
sigma value = 9


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

Energy: 1.7236010482146618
Energy: 0.7587488900689464
Energy: 0.7326830386471136
Energy: 1.7182825022386423
Energy: 1.6057662698298798
Energy: 0.7849015189757729
Energy: 1.0901272606279369
Energy: 0.7738878679644003
Energy: 0.7245365934117859
Energy: 0.7128053645044153
Energy: 0.7673299624833305
Energy: 0.7079364340888171
Energy: 1.088186073343521
Energy: 0.7453911489820595
Energy: 0.7234562163505228
Energy: 0.8026634439255054
Energy: 0.7608365873288385
Energy: 0.7107946534578167
Energy: 1.084940710236496
Energy: 0.7032292005421164
Energy: 0.703034037723567
Energy: 0.8122440815612055
Energy: 0.6996831092012775
Energy: 0.7006755506301466
Energy: 1.1145223582223125
Energy: 0.707894669243361
Energy: 0.6929323752638061
Energy: 0.7485047299087116
Energy: 0.7340924928810265
Energy: 0.7273084529155733
Energy: 0.7513921314016061
Energy: 0.6915343588725886
Energy: 0.7393917383520489
Energy: 0.7513891525178357
Energy: 0.9136362302188062
Energy: 0.739406887658313
Energy: 0.7532195329978759
Energy: 0.7111451762976644
Energy: 0.7305877347106454
Energy: 0.7545998689509003
Energy: 0.6946824501419416
Energy: 0.7159248138749266
Energy: 0.7705605884677865
Energy: 0.6933431663843892
Energy: 0.7784084618244222
Energy: 0.7708629595369393
Energy: 0.8078830222502831
Energy: 0.7394473647986605
Energy: 1.1203719128606773
Energy: 0.7312728449189246
Energy: 0.7074946126251701
Energy: 0.7308228099629331
Energy: 0.7438382138825179
Energy: 0.7126699926742438
Energy: 1.2675803580614353
Energy: 0.7064555785634817
Energy: 0.7140627709035547
Energy: 0.9128808768197655
Energy: 0.6942350259046145
Energy: 0.6846513389374229
Energy: 1.2696367046959263
Energy: 0.7351968816000694
Energy: 0.7253713431224602
Energy: 0.8165092792053661
Energy: 0.7524739543976617
Energy: 0.7139388063275746
Energy: 1.1101328502219732
Energy: 0.7572092111177364
Energy: 0.7283678697660639
Energy: 0.7238263160227423
Energy: 0.7530234963882325
Energy: 0.7041396706537958
Energy: 1.5131112495196937
Energy: 0.7282994210762971
Energy: 0.772033662994178
Energy: 1.4564403177268566
Energy: 0.9091904387130854
Energy: 0.7679077573447963
Energy: 1.1160203173600092
Energy: 0.737195897277761
Energy: 0.723176920382179
Energy: 0.7190406893877879
Energy: 0.7369540767843084
Energy: 0.7037285140805828
Energy: 0.7661506806402313
Energy: 0.6949424085099198
Energy: 0.6913893252154066
Energy: 0.7651243419995555
Energy: 0.6919504640252115
Energy: 0.8045980403793184
Energy: 0.763348941845174
Energy: 0.7110675259468824
Energy: 0.7223923816616288
Energy: 0.7643621949366339
Energy: 0.7067072364515687
Energy: 0.7069196441558324
Energy: 0.7599753320067292
Energy: 0.6999395744768322
Energy: 0.6995172799620839
Energy: 0.7403891568829323
Energy: 0.7237278537218733
Energy: 0.7271453503125467
Energy: 0.9372895509749024
Energy: 0.7176554265030081
Energy: 0.7353219789505626
Energy: 0.7411442568349184
Energy: 0.8407550159781916
Energy: 0.7426441545889712
Energy: 0.8294412165880631
Energy: 0.7112829710031094
Energy: 0.7106884627344128
Energy: 0.7689888280733415
Energy: 0.71296820986712
Energy: 0.7513944183860741
Energy: 0.8296020325500106
Energy: 0.7270853394361129
Energy: 0.7260070418368827
Energy: 0.7426504330330871
Energy: 0.7409305861232749
Energy: 0.7048659621417741
Energy: 0.829605725837996
Energy: 0.7512671768683516
Energy: 0.7520297261987997
Energy: 0.7149315142034788
Energy: 0.7465509592856734
Energy: 0.7257930484587576
Energy: 0.8826802433157032
Energy: 0.8045669358272471
Energy: 0.7109128099087163
Energy: 0.7152320259353767
Energy: 0.8056812619604702
Energy: 0.7417366915159929
Energy: 0.9626805139102236
Energy: 0.7495121803390492
Energy: 0.7291265044801502
Energy: 0.7160681092925919
Energy: 0.7706726540196305
Energy: 0.7107236194836575
Energy: 0.8277319135212471
Energy: 0.7722941932629681
Energy: 0.7303876306207292
Energy: 0.7342292181053415
Energy: 0.7645085830030687
Energy: 0.708487682756949
Energy: 1.0980867746945229
Energy: 0.7928440536254454
Energy: 0.7096850809263747
Energy: 0.7890856388644547
Energy: 0.7360082043693031
Energy: 0.7553250640992966
Energy: 1.0932818425187003
Energy: 0.724479362929184
Energy: 0.7043388307907865
Energy: 0.7542760585678963
Energy: 0.7221676070895365
Energy: 0.7042710772131426
Energy: 0.7328218852031338
Energy: 0.7161637923412444
Energy: 0.7296834294367568
Energy: 0.9647016223918485
Energy: 1.2321964134268522
Energy: 0.8093902472554912
Energy: 0.7531164696094713
Energy: 0.7051013490122859
Energy: 0.7042915387686343
Energy: 0.7534017887350135
Energy: 0.7047394103584841
Energy: 0.7245525719019255
Energy: 0.7518990782569472
Energy: 0.7114908767073285
Energy: 0.7074054511428972
Energy: 0.751869841698398
Energy: 0.7392723968729921
Energy: 0.7127456343812646
Energy: 0.7927612763674422
Energy: 0.7061048218340867
Energy: 0.7158549726674458
Energy: 0.7105893391501686
Energy: 0.808888399612173
Energy: 0.7377573034810778
Energy: 1.2696838908135484
Energy: 0.737073502991069
Energy: 0.7125340110926676
Energy: 0.7431024994421732
Energy: 0.7308943969459905
Energy: 0.7140916039999462
Energy: 1.2682920380699734
Energy: 0.73613056083716
Energy: 0.7687551168790427
Energy: 0.8589451182346987
Energy: 0.771724612812452
Energy: 0.6823439188013204
Energy: 1.1143412081829704
Energy: 0.7634485645258627
Energy: 0.7044267002867057
Energy: 0.700514221996707
Energy: 0.7557994032015727
Energy: 0.7319118508246877
Energy: 1.0796462748148306
Energy: 0.7565743410445522
Energy: 0.734829566273586
Energy: 0.7816529516095004
Energy: 0.7516778133380267
Energy: 0.7356693985537882
Energy: 1.120515736823282
Energy: 0.7340838594097508
Energy: 0.7229468138037297
Energy: 0.7343919899012441
Energy: 0.7534580213681896
Energy: 0.7309137504810764
Energy: 0.8128422968913617
Energy: 0.6872204617373436
Energy: 0.7140089098047475
Energy: 0.727785428645201
Energy: 0.6980254947077511
Energy: 0.7208656923464074
Energy: 0.7633272759534427
Energy: 0.6985608030360491
Energy: 0.7096482749194755
Energy: 0.7649536179610713
Energy: 0.7267853415021539
Energy: 0.7094402383340944
Energy: 0.7610475803481482
Energy: 0.7080025041975525
Energy: 0.7075413125995144
Energy: 0.7654397905043316
Energy: 0.709761507419613
Energy: 0.718957957695361
Energy: 0.739887641193696
Energy: 1.0710901321062378
Energy: 0.7321135464526765
Energy: 0.7393884477810104
Energy: 1.003397060449372
Energy: 0.8480010390759325
Energy: 0.9272684558135768
Energy: 0.7091135954074418
Energy: 0.7081288411511862
Energy: 0.7653871662157866
Energy: 0.7098597621139089
Energy: 0.7078239901591231
Energy: 0.8278143352730898
Energy: 0.7053207438676751
Energy: 0.7205752972659897
Energy: 0.7425609754753515
Energy: 0.7241596746163812
Energy: 0.7235656017958126
Energy: 0.8284146021979565
Energy: 0.7355460463668166
Energy: 0.7404036734354494
Energy: 0.7370973265956361
Energy: 0.7404874941277703
Energy: 0.7170924254243475
Energy: 0.9642019830312055
Energy: 0.7259859130567656
Energy: 0.7274929980707152
Energy: 0.7164782306313098
Energy: 0.7708893981845681
Energy: 0.712959181860301

minimum gb energy = 0.6823439188013204 eV
minimum distance =  2.38954506951103 Angstroms
sigma value = 57


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

Energy: 1.0608468625429375
Energy: 0.611018973238265
Energy: 0.3737310474422021
Energy: 0.4143083380357079
Energy: 0.588400473180218
Energy: 0.8662638791567489
Energy: 0.6187693512579215
Energy: 0.5483866222648378
Energy: 0.568508846725241
Energy: 0.5850791223958961
Energy: 0.6035212354150573
Energy: 0.5535032998748536
Energy: 0.8178067226869081
Energy: 0.6262095450032638
Energy: 0.5761306023760145
Energy: 0.5851577329066404
Energy: 0.5669234616512303
Energy: 0.8178776369955546
Energy: 0.6252640734438561
Energy: 0.6299359535767047
Energy: 0.8580437232041768
Energy: 0.8396342541914201
Energy: 0.6131805716375607
Energy: 0.6036001103843003
Energy: 0.619433756639879
Energy: 0.5625098747250317
Energy: 0.5799899440808355
Energy: 0.5881615825919545
Energy: 0.556195644518612
Energy: 0.7852370370285343
Energy: 0.8004856684714416
Energy: 0.5604484655927129
Energy: 0.5619235303185329
Energy: 0.7815297632990419
Energy: 0.6455776480185123
Energy: 0.5596926463013367
Energy: 0.8114530786411438
Energy: 0.7681129871212634
Energy: 0.6107325708268142
Energy: 0.6104681575854217
Energy: 0.857549647461571
Energy: 0.6059395204914872
Energy: 1.2870755510490781
Energy: 1.0840958500144373
Energy: 1.214655891416073
Energy: 1.315774171010011
Energy: 0.8964340017140733
Energy: 0.8132112164614811
Energy: 0.9059097268704474
Energy: 0.8693173120909369
Energy: 0.8687729854050195
Energy: 0.8686536300285531
Energy: 0.8680207453499382
Energy: 0.8560446495109014
Energy: 0.8572996029660102
Energy: 0.8736789748268207
Energy: 0.373097746825124
Energy: 0.4136910275790899
Energy: 0.8592584390280661
Energy: 0.7216095189835459
Energy: 0.8741774991096235
Energy: 0.8718100046435355
Energy: 0.8473732878482837
Energy: 0.41426919874007406
Energy: 0.874785563648396
Energy: 0.7485271799734406
Energy: 0.608992627570551
Energy: 0.8916502704841539
Energy: 0.8752467398601856
Energy: 0.6132631218698942
Energy: 0.881185724920419
Energy: 0.8053494447321159
Energy: 2.259926727017936
Energy: 0.7624460040693344
Energy: 0.586478710474305
Energy: 1.6196299450035705
Energy: 1.266822639018986
Energy: 0.7864947222743671
Energy: 0.8264154091043284
Energy: 0.8040002604001608
Energy: 0.7614744531061617
Energy: 0.7592647402554783
Energy: 0.6044299507489602
Energy: 0.6219377808545324
Energy: 0.8088285571353828
Energy: 0.5619585148754551
Energy: 0.5647171606160626
Energy: 0.596045226315084
Energy: 0.6402465636446341
Energy: 0.5630708955219657
Energy: 0.6036002624963845
Energy: 0.5977791905423043
Energy: 0.777019258032411
Energy: 0.6375475255451826
Energy: 0.5841779199716415
Energy: 0.5490601714539315
Energy: 0.8009759303774194
Energy: 0.8758062073730103
Energy: 0.7707361328461425
Energy: 0.8524738566506814
Energy: 0.6313102030622482
Energy: 0.6405788146126596
Energy: 0.8195018789226488
Energy: 0.7702282679204443
Energy: 0.5693103566541104
Energy: 0.564796685094425
Energy: 0.5828236272058732
Energy: 0.601162784577476
Energy: 0.8586669629419058
Energy: 0.543768318060779
Energy: 0.5655090870408146
Energy: 0.4124707957541202
Energy: 0.5908825515561236
Energy: 0.5712044314256468

minimum gb energy = 0.373097746825124 eV
minimum distance =  2.34966222054331 Angstroms
sigma value = 11


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

Energy: 1.4418587181635418
Energy: 0.8031128546177406
Energy: 0.7205391548093252
Energy: 1.4328602022556443
Energy: 0.8025100462107153
Energy: 0.7891492962730268
Energy: 0.57032299282041
Energy: 0.5316176960136809
Energy: 0.5447246480280378
Energy: 0.5291374956846969
Energy: 0.5492480554781777
Energy: 0.5271782753851488
Energy: 0.5969986217318795
Energy: 0.5340530363739213
Energy: 0.5299123151808227
Energy: 0.5367963079067751
Energy: 0.5407843815908536
Energy: 0.5287986035697265
Energy: 0.5956214740725628
Energy: 0.5285503701350549
Energy: 0.526955344948159
Energy: 0.5899518516226676
Energy: 0.5259178427870321
Energy: 0.5243804065846837
Energy: 0.5714809663890554
Energy: 0.6173542227367128
Energy: 0.6165873322091563
Energy: 0.5330878440647684
Energy: 0.7044615565334438
Energy: 0.5378143154548017
Energy: 0.6051161180302174
Energy: 0.7094738430473357
Energy: 0.552712653814078
Energy: 0.5541999685377019
Energy: 1.480747086131125
Energy: 0.6216495792525807
Energy: 0.8254930524214605
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Energy: 0.5295021806222083
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Energy: 0.6947953170146545
Energy: 0.582405561405709
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Energy: 0.6126895628103793
Energy: 0.5425496607484027
Energy: 0.5434487781103596
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Energy: 0.6210599748264413
Energy: 0.619045328610039
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Energy: 0.6251461399477806
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Energy: 0.5543274774072555
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Energy: 0.8143853572847622
Energy: 0.5480496143857254
Energy: 0.8850061886222721
Energy: 0.699201074426221
Energy: 0.6936720281620042
Energy: 0.7043549253191879
Energy: 0.7085616439481266
Energy: 0.6930184732675525
Energy: 0.9076461346070204
Energy: 0.7161227255530651
Energy: 0.5427991242647319
Energy: 0.6365016041596071
Energy: 1.2582184590691172
Energy: 0.714127788952718
Energy: 1.191195234332504
Energy: 0.6952577365737865
Energy: 0.6962879787780465
Energy: 0.7115884421739318
Energy: 0.6942482242809869
Energy: 0.6946141700979268
Energy: 1.0962501915104417
Energy: 0.6262652351913813
Energy: 0.5398044739044713
Energy: 1.0880367671335989
Energy: 0.6267658530971052
Energy: 0.5394264552414676
Energy: 1.2077631416815418
Energy: 0.7027470787178179
Energy: 0.7015990717926914
Energy: 0.7028258548208378
Energy: 0.7109902932158579
Energy: 0.6972653966050456
Energy: 1.13060035903501
Energy: 0.6301680664763517
Energy: 0.6300193660344794
Energy: 0.619345164543899
Energy: 0.7518001376350049
Energy: 0.6158755984839223
Energy: 0.8572152724979751
Energy: 0.7101035467579256
Energy: 0.7123064556652433
Energy: 0.8542049287301144
Energy: 0.7075608716641514
Energy: 0.707241322578932
Energy: 0.9224258856363632
Energy: 0.6183671334297681
Energy: 0.6175291365117979
Energy: 0.6280804275826893
Energy: 0.698563385555308
Energy: 0.6171543935950501
Energy: 0.9178579675352003
Energy: 0.5471611115458493
Energy: 0.5679293343966498
Energy: 0.8976109320628113
Energy: 1.432831025081175
Energy: 0.6983542221706521
Energy: 0.7340425144338929
Energy: 0.6124811957783967
Energy: 0.6184635645204204
Energy: 0.6192194532756282
Energy: 0.6281872950577637
Energy: 0.6184952005188925
Energy: 0.7043745279941488
Energy: 0.5368775368942352
Energy: 0.5338474586752863
Energy: 0.687152227127283
Energy: 0.6817023267224952
Energy: 0.5395616982357868
Energy: 0.781717843118734
Energy: 0.5390543476026155
Energy: 0.5386924816927752
Energy: 0.5388873113088851
Energy: 0.6807414920362159
Energy: 0.5334913321942479
Energy: 1.1750400997107935
Energy: 0.5270012582480599
Energy: 0.5370234892658331
Energy: 0.7009447436729729
Energy: 0.5320919103570919
Energy: 0.5382049644278727

minimum gb energy = 0.5243804065846837 eV
minimum distance =  2.40511982449624 Angstroms
sigma value = 41


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

Energy: 1.4097610225030077
Energy: 0.5875487118903062
Energy: 0.5658890409019275
Energy: 1.4118896775244312
Energy: 0.5874339948997168
Energy: 0.9918545398451318
Energy: 0.591825299174617
Energy: 0.5489110834956104
Energy: 0.5452279457030398
Energy: 0.5551461416414863
Energy: 0.5490629023894082
Energy: 0.544780063376768
Energy: 0.5983777555961646
Energy: 0.5566908669002278
Energy: 0.550393365666739
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Energy: 0.5502825322117938
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Energy: 0.5441229307222788
Energy: 0.5490466065258429
Energy: 0.5511404121219784
Energy: 0.5521610146319301
Energy: 0.5479496893981813
Energy: 0.5999507661472132
Energy: 0.3564148255691101
Energy: 0.35638817622263363
Energy: 0.5628290023300639
Energy: 0.5704698060605105
Energy: 0.5452078615908155
Energy: 1.0576919741671218
Energy: 0.5815439842685302
Energy: 0.5818409460405869
Energy: 0.5802221411917552
Energy: 1.3716738973566966
Energy: 0.5827344179023315
Energy: 0.646714983084282
Energy: 0.5568229093412828
Energy: 0.5466904698440056
Energy: 0.5511601444831581
Energy: 0.5526957896139011
Energy: 0.5466340333237696
Energy: 0.6084896463180328
Energy: 0.7626221823382715
Energy: 0.5959136934585156
Energy: 0.5472205289806829
Energy: 0.7627891791782022
Energy: 0.5877222510484388
Energy: 0.5872389421069598
Energy: 0.5565230067179007
Energy: 0.5562079895641496
Energy: 0.5625513700391559
Energy: 0.5608766656486731
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Energy: 0.9748996177779734
Energy: 0.7567162704373518
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Energy: 0.9337374842199875
Energy: 0.7599917161225932
Energy: 0.5808666816298478
Energy: 0.9506711366430174
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Energy: 0.7571184061456201
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Energy: 0.9482659532535552
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Energy: 0.5657173043746774
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Energy: 0.743923214744895
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Energy: 0.7718737197433251
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Energy: 0.5431566892363467
Energy: 0.5461296777443502
Energy: 0.7535249340228807
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Energy: 0.5458307954039712
Energy: 1.4108579230971616
Energy: 0.5622477300526018
Energy: 0.5655300576731683
Energy: 1.3888173792927514
Energy: 0.5684946088307593
Energy: 0.5895532993281851
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Energy: 0.5430540226176562
Energy: 0.5444085489707646
Energy: 0.937774085012551
Energy: 0.5601311422702854
Energy: 0.5561385612910243
Energy: 0.596709765874974
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Energy: 0.5566819302652749
Energy: 0.5581503869890261
Energy: 0.5609575959451774
Energy: 0.5486729448293481
Energy: 0.6010898107176672
Energy: 0.5460372735683158
Energy: 0.5470376669458096
Energy: 0.5829426713175981
Energy: 0.5510328798066628
Energy: 0.5496749087728079
Energy: 0.5930890839621079
Energy: 0.5431614171438721
Energy: 0.5431093034704383
Energy: 0.5576458183066122
Energy: 0.5406608952166361
Energy: 0.5461689566189063
Energy: 1.0558058934533021
Energy: 0.5877079506918493
Energy: 0.5866490319357309
Energy: 0.5817309044047109
Energy: 1.1681770164172351
Energy: 0.75801207240652
Energy: 0.586871825336355
Energy: 0.5445002083297471
Energy: 0.5468829824918957
Energy: 0.5447879914399649
Energy: 0.554171362212825
Energy: 0.5436648758235911
Energy: 0.612125888603995
Energy: 0.5517000970868702
Energy: 0.5497829880205757
Energy: 0.6114447375693997
Energy: 0.8009353781284542
Energy: 0.5522529326566801
Energy: 0.5899036161363781
Energy: 0.5669306861907047
Energy: 0.5557594231404189
Energy: 0.5585006865473057
Energy: 0.757748913365826
Energy: 0.5478620047981033
Energy: 0.9515877655334811
Energy: 0.584527316530025
Energy: 0.5794600321110019
Energy: 0.569235313610289
Energy: 0.755760163581627
Energy: 0.5628091002475778
Energy: 0.9757163524300633
Energy: 0.7603668450132397
Energy: 0.5812437920405178
Energy: 0.9630563643875317
Energy: 0.7603867896664367
Energy: 0.5806749184987107
Energy: 0.6648551477024361
Energy: 0.5516993616353392
Energy: 0.5550538301226533
Energy: 0.7569470732618468
Energy: 0.5635429328637739
Energy: 0.5636053939414716
Energy: 0.7710663422551888
Energy: 0.5817886348210661
Energy: 0.5817214178966045
Energy: 0.7617144799593424
Energy: 0.5801719476866548
Energy: 0.5807357489793157
Energy: 0.7708286616758101
Energy: 0.702334703712293
Energy: 0.7029886501893231
Energy: 0.5795406098763205
Energy: 0.7024352293345518
Energy: 0.7033432659165597
Energy: 0.7804467971060756
Energy: 0.5584161946800702
Energy: 0.5574956076716463
Energy: 0.5572587454171745
Energy: 0.5635184455558305
Energy: 0.5559583795062347
Energy: 0.5956297409382115
Energy: 0.5431858701780076
Energy: 0.5453400376098395
Energy: 0.5570999636821645
Energy: 0.5605513542522923
Energy: 0.5571643383453144
Energy: 1.2906731089436239
Energy: 0.5385182213610266
Energy: 0.5480385290179036
Energy: 1.0689739736167438
Energy: 0.5630552260715328
Energy: 0.5558932909702967

minimum gb energy = 0.35638817622263363 eV
minimum distance =  2.40397898556643 Angstroms
sigma value = 33


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

Energy: 0.7717992705172468
Energy: 0.631871134693485
Energy: 0.5929210435705764
Energy: 0.7125475775002381
Energy: 0.6337406588016825
Energy: 0.5896952950615133
Energy: 0.6504262373767056
Energy: 0.6037906846865199
Energy: 0.5929854996691205
Energy: 0.6166552547929608
Energy: 0.6058336712954846
Energy: 0.5926235952570648
Energy: 0.6419392947032294
Energy: 0.608239829070219
Energy: 0.5973667142798303
Energy: 0.5995530319973318
Energy: 0.6095122185278634
Energy: 0.5982778494123118
Energy: 0.6429395073066746
Energy: 0.6005105831059
Energy: 0.5979096763242591
Energy: 0.6319809820789253
Energy: 0.6012792144272928
Energy: 0.597538205977172
Energy: 0.8886825902830223
Energy: 0.6168889565952586
Energy: 0.6097981507903318
Energy: 0.5964305414209413
Energy: 1.088744035358026
Energy: 0.6094141381194754
Energy: 1.052810877016092
Energy: 0.6176707641141311
Energy: 0.6170876345873918
Energy: 0.8813211583428313
Energy: 1.1472620743477948
Energy: 0.6172562613695637
Energy: 0.6808252155195738
Energy: 0.6181201018336295
Energy: 0.6181319764751769
Energy: 0.6021076753740116
Energy: 0.6185595747292797
Energy: 0.5959974249806822
Energy: 0.6712899941547236
Energy: 0.5913210563986085
Energy: 0.7155842777248612
Energy: 0.6622951789136707
Energy: 0.9187269366384705
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Energy: 0.6809293790362835
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Energy: 0.6076729530430076
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Energy: 0.6700456929055046
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Energy: 0.6057042975403825
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Energy: 0.6443807878878911
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Energy: 0.6047384181386958
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Energy: 0.618015255523912
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Energy: 0.6042701474419827
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Energy: 0.621419158008971
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Energy: 0.6031813482285764
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Energy: 1.112623862613897
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Energy: 0.6031424442854908
Energy: 1.5279060231806592
Energy: 0.5948627345598804
Energy: 0.6024191812744976

minimum gb energy = 0.5896952950615133 eV
minimum distance =  2.41201022448215 Angstroms
sigma value = 67


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

Energy: 1.1294315482250292
Energy: 0.7265547009011508
Energy: 0.7605134153111345
Energy: 0.7638068628816895
Energy: 0.7263802820173292
Energy: 0.7600259927879751
Energy: 0.7162631833173949
Energy: 0.6696362959045002
Energy: 0.6686023905487457
Energy: 0.7089816578926168
Energy: 0.7068662420025272
Energy: 0.6684379767734353
Energy: 0.6580552576669384
Energy: 0.6129834561129209
Energy: 0.6174245550277406
Energy: 0.6507766745609409
Energy: 0.61947209820021
Energy: 0.6163568021398662
Energy: 0.6648471868303686
Energy: 0.6165010654342227
Energy: 0.6192467916930885
Energy: 0.6489384327146397
Energy: 0.6158291452617648
Energy: 0.6191609777936244
Energy: 0.7172720887228962
Energy: 0.6706596571392232
Energy: 0.6734205324745586
Energy: 0.7077869425118078
Energy: 0.670036124453554
Energy: 0.6728904890665873
Energy: 0.7182314131740863
Energy: 0.6357713864260851
Energy: 0.676050088714211
Energy: 0.7117735262107812
Energy: 0.6736348772288969
Energy: 0.6756326205244017
Energy: 0.691883122948057
Energy: 0.6688313531334453
Energy: 0.6685555590178641
Energy: 0.6894940245911642
Energy: 0.7068087037593301
Energy: 0.6685419190219938

minimum gb energy = 0.6129834561129209 eV
minimum distance =  2.41513647962732 Angstroms
sigma value = 3


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

Energy: 0.8648461302035818
Energy: 0.8132518667264964
Energy: 0.9708172598880618
Energy: 0.5699894359129102
Energy: 0.8135293654719109
Energy: 0.9718985336435417
Energy: 0.8063167198829742
Energy: 0.7252595534666357
Energy: 0.7226037061109012
Energy: 0.7241748652852232
Energy: 0.7802239242357256
Energy: 0.7162371313370446
Energy: 0.8449680847451247
Energy: 0.7051879819033
Energy: 0.7068387223090037
Energy: 0.711450281725975
Energy: 0.7055268206837155
Energy: 0.7688874832104265
Energy: 0.8151194042975531
Energy: 0.757526386352182
Energy: 0.7562038813156244
Energy: 0.7969676649261046
Energy: 0.7032372279124295
Energy: 0.7134277836369359
Energy: 0.7238009433764637
Energy: 0.6987999687740613
Energy: 0.6992040673195158
Energy: 0.7138146356080418
Energy: 0.7063746663851621
Energy: 0.701482614875282
Energy: 0.732303861103022
Energy: 0.7008881761954493
Energy: 0.698414320216078
Energy: 0.7106830785501728
Energy: 0.6938908367674943
Energy: 0.699926687861411
Energy: 0.7256300023153589
Energy: 0.7132407181715806
Energy: 0.705030705223405
Energy: 0.712016615507545
Energy: 0.7438328070127935
Energy: 0.7028133045393079
Energy: 0.8006854032309728
Energy: 0.8807412670557043
Energy: 0.8728009921580491
Energy: 0.7285578795774768
Energy: 0.8874865110719853
Energy: 0.879079512858113
Energy: 1.1217960566484877
Energy: 0.7541592931546705
Energy: 0.7470020479880396
Energy: 0.8998456574571255
Energy: 0.9009894815216728
Energy: 0.7476883608747128
Energy: 1.1194699822598264
Energy: 0.780445016396839
Energy: 0.7815142452835332
Energy: 0.8895913163917907
Energy: 0.7851346139452211
Energy: 0.9596585715837807
Energy: 0.9886794437627227
Energy: 0.6966327289122056
Energy: 0.7660627795769415
Energy: 0.9899163929540766
Energy: 0.7054643384232044
Energy: 0.7671240608832153
Energy: 0.7535261277841434
Energy: 0.6975926304238397
Energy: 0.6985071418378558
Energy: 0.7573505696003772
Energy: 0.7040860264115095
Energy: 0.6997016076054059
Energy: 0.7407950998505517
Energy: 0.6983788733600318
Energy: 0.6959514205069219
Energy: 0.7037679012190347
Energy: 0.7066344772896704
Energy: 0.6961910446217724
Energy: 0.7795177400600278
Energy: 0.7745234778367768
Energy: 0.7110521476666221
Energy: 0.734446866599192
Energy: 0.7881684022843821
Energy: 0.7121481058027751
Energy: 0.8319424708959088
Energy: 0.7120696185630023
Energy: 0.7120083140427509
Energy: 0.7013798326590809
Energy: 0.7149054431052934
Energy: 0.7129509755702536
Energy: 0.7854503496525179
Energy: 0.7143764853630699
Energy: 0.7165826441637208
Energy: 0.780199711575145
Energy: 0.7163313007465076
Energy: 0.71858481202162
Energy: 0.773108872665191
Energy: 0.8732483955791833
Energy: 0.8748901857787207
Energy: 0.774039800878848
Energy: 0.8849423828108792
Energy: 0.8825879687884601
Energy: 0.9911591170003127
Energy: 0.7537409861132354
Energy: 0.7282887853893517
Energy: 0.9489364145946559
Energy: 0.977837101321406
Energy: 0.7255281444333536
Energy: 0.8183512870200655
Energy: 0.8773626787988539
Energy: 0.8722653863842996
Energy: 0.7842121611281103
Energy: 0.8746856529502532
Energy: 0.7778733856041126
Energy: 0.7694176732889257
Energy: 0.8837941391858374
Energy: 0.8744407180322082
Energy: 0.781678289837167
Energy: 0.8822834333538339
Energy: 0.782431611882909
Energy: 0.7329343563161109
Energy: 0.6968618037892578
Energy: 0.7008471832280437
Energy: 0.7234202296984729
Energy: 0.7218970448333365
Energy: 0.7008168893129241
Energy: 0.7440382092326797
Energy: 0.6911136264529271
Energy: 0.6976077271901028
Energy: 0.7163463158351591
Energy: 0.7310894314622194
Energy: 0.6969085626415762
Energy: 0.7274373956660047
Energy: 0.7032066944490933
Energy: 0.6950544844281173
Energy: 0.7276224761879617
Energy: 0.7018073260281565
Energy: 0.7017870163188742
Energy: 0.894986050907558
Energy: 0.714123665496867
Energy: 0.717634388779123
Energy: 0.8835738977209395
Energy: 0.7159073793280233
Energy: 0.8748381604714032
Energy: 0.9568373605120745
Energy: 0.7323906135106838
Energy: 0.715441565476392
Energy: 0.8702308277203156
Energy: 0.7280492391339791
Energy: 0.7148159466298565
Energy: 0.8178076763063212
Energy: 0.7301413736288188
Energy: 0.7196010670006651
Energy: 0.7101718834765551
Energy: 0.77639603160708
Energy: 0.7095587670858288
Energy: 0.762821018411186
Energy: 0.7182646200723019
Energy: 0.7197303654463405
Energy: 0.7160608567990732
Energy: 0.7771462873750363
Energy: 0.7064249514772152
Energy: 0.8218400101383779
Energy: 0.7108213197930975
Energy: 0.7123658134107532
Energy: 0.712518055598559
Energy: 0.7276111095067267
Energy: 0.7075609472495649
Energy: 0.7434998233382739
Energy: 0.7079489713521376
Energy: 0.7079549777039456
Energy: 0.7229628446001877
Energy: 0.7049277121126674
Energy: 0.7736793251880586
Energy: 0.7243070303909689
Energy: 0.7121241180675202
Energy: 0.7765780278285092
Energy: 0.7086932100119198
Energy: 0.7355063436659426
Energy: 0.7026920993462743
Energy: 0.770221773540717
Energy: 0.7010212909905146
Energy: 0.7017373668256819
Energy: 0.7108191552946745
Energy: 0.706820198489173
Energy: 0.7010033960470666
Energy: 0.7240292231093544
Energy: 0.7230515258776103
Energy: 0.7044890901439841
Energy: 0.7019523431679032
Energy: 0.712716348284541
Energy: 0.7010327316371222
Energy: 0.7877532447414693
Energy: 0.882139505687897
Energy: 0.8521586251609081
Energy: 0.718044523631987
Energy: 0.8903406607901687
Energy: 0.8702194589674145
Energy: 0.78406546251345
Energy: 0.8733717343507265
Energy: 0.7686064644770074
Energy: 0.7924598200474481
Energy: 0.8811828347278882
Energy: 0.7588219788453531
Energy: 1.1039831943358258
Energy: 0.7017226521695997
Energy: 0.7089290807755222
Energy: 0.9902623243691178
Energy: 0.8573305035745503
Energy: 0.7693012836773193
Energy: 0.8857480466629206
Energy: 0.7815595293690795
Energy: 0.784729746991881
Energy: 0.8864970625588768
Energy: 0.7851814838800214
Energy: 0.9596689255168774
Energy: 0.753593319403208
Energy: 0.7001176240922098
Energy: 0.6999551159414555
Energy: 0.7465511111457293
Energy: 0.7124952941855428
Energy: 0.7023632274313811
Energy: 0.32355998081030707
Energy: 0.8864565549775575
Energy: 0.886271873670409
Energy: 0.7054879514518045
Energy: 0.7048018046827222
Energy: 0.701004952536143
Energy: 0.7510770988257188
Energy: 0.705174358968519
Energy: 0.6978657023225756
Energy: 0.7495289841586108
Energy: 0.7083079925719632
Energy: 0.7018356516406528
Energy: 0.7573893813623294
Energy: 0.7121835832629386
Energy: 0.7695050930215875
Energy: 0.7231286737098849
Energy: 0.7783221255505907
Energy: 0.7693219410833699
Energy: 0.7810102499385173
Energy: 0.7785783396242687
Energy: 0.7593188217941018
Energy: 0.7857149302794775
Energy: 0.7121106985045895
Energy: 0.7607372277251794
Energy: 0.9468442121683514
Energy: 0.7717197380620915
Energy: 0.7694463923773084
Energy: 0.9468701829655806
Energy: 0.7413382814581986
Energy: 0.721281652937426
Energy: 0.9751307603010401
Energy: 0.7175086190564235
Energy: 0.8723470925627715
Energy: 0.7759785282097177
Energy: 0.7738526196672236
Energy: 0.873040566167729
Energy: 0.7863756924012467
Energy: 0.7173101946509064
Energy: 0.7109282942639006
Energy: 0.7772650793081265
Energy: 0.8690086964120564
Energy: 0.712242841428214
Energy: 0.7101609917262314
Energy: 0.8757750584400887
Energy: 0.7866394632211623
Energy: 0.8052122797628158
Energy: 0.8750627548382299
Energy: 0.7865833076581584
Energy: 0.9403857799146806
Energy: 0.7927736379688047
Energy: 0.7005861674665776
Energy: 0.739438804759413
Energy: 0.7813286158887356
Energy: 0.6925874103003699
Energy: 0.6426540368199052
Energy: 0.695690024397664
Energy: 0.6949149010766306
Energy: 0.7093025413914519
Energy: 0.7090187396088993
Energy: 0.6906437282231395
Energy: 0.7376966304038574
Energy: 0.7058250305676786
Energy: 0.6909790116215281
Energy: 0.7259973017234788
Energy: 0.7023654095182801
Energy: 0.6899635254893988
Energy: 0.8871583702410776
Energy: 0.7602412756897954
Energy: 0.7161438913818954
Energy: 0.8841845695756457
Energy: 0.7161796439063413
Energy: 0.717936306909244
Energy: 0.9650585205023239
Energy: 0.7684196477415176
Energy: 0.7183731048410492
Energy: 0.8816568485665266
Energy: 0.7706824300095315
Energy: 0.8728875480741736
Energy: 0.7299514825676378
Energy: 0.7289567456456371
Energy: 0.7260628417673182
Energy: 0.8611932217276096
Energy: 0.7858136412365276
Energy: 0.7260139265043485

minimum gb energy = 0.32355998081030707 eV
minimum distance =  2.38393767111596 Angstroms
sigma value = 81


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

Energy: 1.618887169775314
Energy: 0.8625913853717553
Energy: 0.8402551186599018
Energy: 0.8651988495210381
Energy: 0.857878764026337
Energy: 0.9551179220520836
Energy: 0.978816947878015
Energy: 0.8262183851040094
Energy: 0.7612958269748876
Energy: 0.8895929454967884
Energy: 0.8582782229389274
Energy: 0.6850927525312078
Energy: 0.9815050649781767
Energy: 0.8159615437698201
Energy: 0.8561977709291891
Energy: 0.6944769068781165
Energy: 0.8235842295879551
Energy: 0.6842968459004871
Energy: 0.9154954495439758
Energy: 0.8302358970140105
Energy: 0.6912437546402128
Energy: 0.714087447177903
Energy: 0.8244416823860969
Energy: 0.6938448947263909
Energy: 0.9697194101139955
Energy: 0.7868138553113366
Energy: 0.9023703081160632
Energy: 0.9186934010369217
Energy: 0.7239942934913013
Energy: 0.7505838623501768
Energy: 0.9543566697413026
Energy: 0.9952807851054334
Energy: 0.8446720722439686
Energy: 0.9257021210615684
Energy: 0.7212098563228309
Energy: 1.014171897051581
Energy: 0.9268580044078412
Energy: 0.9035928552118044
Energy: 0.9048720006442331
Energy: 0.9201354725431666
Energy: 0.7569015339665244
Energy: 0.9204436023551437
Energy: 0.9682233724999015
Energy: 1.121022816586859
Energy: 1.1212635539324667
Energy: 0.9259196748054237
Energy: 1.0253613991608739
Energy: 0.903891274162957
Energy: 0.9492395818351591
Energy: 0.914076557416464
Energy: 0.8686032647656031
Energy: 0.8815215134382249
Energy: 0.9980202751112065
Energy: 0.8755299878833684
Energy: 0.95098713774932
Energy: 0.9053764748471338
Energy: 0.9131232031645433
Energy: 0.945518376204394
Energy: 0.8393799940492852
Energy: 0.8393582168169751
Energy: 0.9081336836324146
Energy: 0.8820195502127928
Energy: 0.881949634537715
Energy: 0.9019519383867052
Energy: 0.8027779417242639
Energy: 0.8698899481047973
Energy: 0.9073410507100452
Energy: 0.843842932621144
Energy: 0.8463292514206938
Energy: 0.883080523882335
Energy: 0.8386812681124503
Energy: 0.8368137325011735
Energy: 0.8829268539986161
Energy: 0.8667520799531993
Energy: 0.8392727305612391
Energy: 0.8313746805269233
Energy: 0.9091182466059146
Energy: 0.8200802541683251
Energy: 0.9313326400518273
Energy: 0.9464516781368664
Energy: 0.8826053934932206
Energy: 0.8732293858570793
Energy: 1.0510461171315626
Energy: 0.8725005463108513
Energy: 0.9259755974668711
Energy: 1.0413786974276866
Energy: 1.0397366533128825
Energy: 0.9351484838321888
Energy: 1.0929348752235153
Energy: 1.039729684466619
Energy: 0.9325059038952057
Energy: 0.9069561760268019
Energy: 0.8863064003773031
Energy: 0.9259752280030212
Energy: 1.0279989059586843
Energy: 0.9939897674478293
Energy: 1.0807765783665846
Energy: 0.8963827984423591
Energy: 0.8796859883462783
Energy: 1.0629067076594607
Energy: 0.8798177720943441
Energy: 0.8817599232903018
Energy: 1.0574553919026985
Energy: 1.036877716138459
Energy: 1.0078191176088709
Energy: 1.0613574443728733
Energy: 1.0500864442059694
Energy: 1.0088544119975869
Energy: 0.994133365444911
Energy: 0.9759000410088088
Energy: 0.8770925298304301
Energy: 0.8911973168788211
Energy: 1.0297822805669765
Energy: 0.8727185932131774
Energy: 0.9975575402264631
Energy: 1.0185634887157407
Energy: 0.877636540609688
Energy: 0.9473486484340075
Energy: 0.9172355122382302
Energy: 0.8785103668668353
Energy: 1.0182014911516457
Energy: 1.0032103515606303
Energy: 0.9921294079098002
Energy: 1.0338590780266663
Energy: 1.036602260202529
Energy: 0.993670425391095
Energy: 1.0549688756003264
Energy: 0.8425693023376019
Energy: 0.8391205231262171
Energy: 1.02140403965373
Energy: 0.8397032788155596
Energy: 0.8397917323762778
Energy: 0.9413954894994326
Energy: 0.9874163230079965
Energy: 0.8808376933223754
Energy: 0.9313758098057409
Energy: 0.8816653750658412
Energy: 0.8794562591205601
Energy: 0.9418586735828385
Energy: 1.0382624806612313
Energy: 1.035183597098896
Energy: 0.9297053157680262
Energy: 1.0515316945925912
Energy: 1.032583775747092
Energy: 0.962617905403187
Energy: 1.0477355988453243
Energy: 0.9941179745945967
Energy: 0.8751043212351547
Energy: 1.017261701591568
Energy: 0.8789732395642396
Energy: 0.949729888802929
Energy: 0.896986506044009
Energy: 0.8970761385754222
Energy: 0.850653533657028
Energy: 0.9696652965482996
Energy: 0.8855462209935121
Energy: 0.950204737700074
Energy: 0.8947386002548747
Energy: 0.8816247593340418
Energy: 0.8872106669066409
Energy: 1.0603994002749917
Energy: 0.8840710643185573
Energy: 0.9109225314246409
Energy: 0.7866464961702592
Energy: 0.8695601587845574
Energy: 0.8940513513057594
Energy: 0.8469388140343287
Energy: 0.8628089067029253
Energy: 0.9472298096110271
Energy: 0.8423482476233949
Energy: 0.8396586387883149
Energy: 0.9496453362841175
Energy: 0.9108173585934417
Energy: 0.9151398372069063
Energy: 0.9040334762395299
Energy: 0.8914152769022513
Energy: 0.8487490190471391
Energy: 0.9490561144013557
Energy: 1.0002810760149294
Energy: 0.8473962192135247
Energy: 0.9006158862869463
Energy: 0.8325864935723923
Energy: 0.8325940035355843
Energy: 0.8669434744347865
Energy: 1.1406043395203205
Energy: 0.8553086902576292
Energy: 0.92343314832288
Energy: 0.8874113893743403
Energy: 0.8780683135115249
Energy: 0.9795555291979688
Energy: 0.911626754940187
Energy: 0.8961110991870578
Energy: 1.0041076716388178
Energy: 0.707564334412736
Energy: 0.8297882091067358
Energy: 0.9293053875412322
Energy: 0.7060981837460601
Energy: 0.9996560062363407
Energy: 1.0089484499913501
Energy: 0.7336557590883229
Energy: 0.9831183672100258
Energy: 0.8988003982172625
Energy: 0.7201583607260202
Energy: 0.7093538794906622
Energy: 0.9790158453503861
Energy: 0.75776011675455
Energy: 0.7718861341528906
Energy: 0.8602040104647811
Energy: 0.8441720765255082
Energy: 0.772907895276659
Energy: 1.0488584150488993
Energy: 0.8683292256929571
Energy: 0.8800426530435193
Energy: 0.82932374902256
Energy: 0.8821943524994216
Energy: 1.0151825259458669
Energy: 1.0679059760711151
Energy: 0.8135771447587005
Energy: 0.7541261861242637
Energy: 0.8782180064787495
Energy: 0.8594910239734861
Energy: 0.7260659350304983
Energy: 0.960520823329828
Energy: 0.7723404942120379
Energy: 0.8307221001268111
Energy: 0.8053902726640717
Energy: 0.859855953281992
Energy: 0.9430585141271817

minimum gb energy = 0.6842968459004871 eV
minimum distance =  2.33183316143284 Angstroms
sigma value = 43


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

Energy: 0.9760730858240663
Energy: 0.8458769033500377
Energy: 0.932133712686759
Energy: 0.7794016100167068
Energy: 0.7601583072550132
Energy: 0.7973888939672548
Energy: 0.736422562709629
Energy: 0.7046014777900252
Energy: 0.8097224841927361
Energy: 0.7088309396928019
Energy: 0.9052399592234764
Energy: 0.8150389808730079
Energy: 0.7290903076052765
Energy: 0.6833876944634226
Energy: 0.6844624449076069
Energy: 0.7004231062770966
Energy: 0.6861869902387091
Energy: 0.7012566754955676
Energy: 0.738173196437441
Energy: 0.6829068824458652
Energy: 0.700047616512465
Energy: 0.70365513280603
Energy: 0.6873257039977099
Energy: 0.7105992459187684
Energy: 0.6868144398360171
Energy: 0.6581444040216125
Energy: 0.6596762098716545
Energy: 0.6797994360395195
Energy: 0.6620179400392562
Energy: 0.6586401330462314
Energy: 0.683346208627975
Energy: 0.655924352601076
Energy: 0.65657162734065
Energy: 0.6637123921157785
Energy: 0.6631650854155633
Energy: 0.6610881257772219
Energy: 0.8332517924293382
Energy: 0.8787830180471915
Energy: 0.8902115616524653
Energy: 0.8339624812990348
Energy: 0.8285719188911089
Energy: 0.6703628880566107
Energy: 0.724026345488496
Energy: 0.702811658186212
Energy: 0.6924561130013026
Energy: 0.6801992155286307
Energy: 0.709078862044417
Energy: 0.7059133054084352
Energy: 0.7200653325228504
Energy: 0.6960521963235274
Energy: 0.6949256859257027
Energy: 0.7604491145433049
Energy: 0.702952436128885
Energy: 0.694289710718114
Energy: 0.7625839903922694
Energy: 0.7228344937329018
Energy: 0.8515400376130194
Energy: 0.7617406320238952
Energy: 0.773552867708796
Energy: 0.8561922005112944
Energy: 1.0431500826370164
Energy: 0.7816160410285986
Energy: 0.7878947959750244
Energy: 1.0232857785469063
Energy: 0.7246411636272334
Energy: 0.7102809104434312
Energy: 0.7612227380322916
Energy: 0.8459419687308
Energy: 0.7029058660481715
Energy: 0.7428720181291621
Energy: 0.846485975512621
Energy: 0.7079813473358578
Energy: 0.7493612186446739
Energy: 0.8457968433055759
Energy: 0.7153304809422402
Energy: 0.7567347027839786
Energy: 0.8445496548074127
Energy: 0.7137400042615832
Energy: 0.6993586556226876
Energy: 0.6655006143264196
Energy: 0.6617958328418447
Energy: 0.6780510401589843
Energy: 0.6937269562556185
Energy: 0.6613094529085147
Energy: 0.698233594590985
Energy: 0.689586621338398
Energy: 0.668649527309117
Energy: 0.6812275235492362
Energy: 0.6613505566257708
Energy: 0.6699440799689219
Energy: 0.7986733478863164
Energy: 0.7595449916840259
Energy: 0.7589113217382113
Energy: 0.7988106466145667
Energy: 0.825865294470406
Energy: 0.7638155205653911
Energy: 0.7161305561459747
Energy: 0.6747741060959257
Energy: 0.6803398955545722
Energy: 0.6932073028713848
Energy: 0.6695877835636682
Energy: 0.6800915249756334
Energy: 0.7147950618485518
Energy: 0.6782453923383063
Energy: 0.6756957413257322
Energy: 0.6955287531505756
Energy: 0.6794937037706626
Energy: 0.6779705963911685
Energy: 0.7835945412215001
Energy: 0.8310244908836703
Energy: 0.8283583949126371
Energy: 0.7694346526984309
Energy: 0.8350556233757545
Energy: 0.710244437807897
Energy: 0.7694799603114004
Energy: 0.8293683729667738
Energy: 0.8279024725210353
Energy: 0.7149321947536345
Energy: 0.8327140455748925
Energy: 0.7375889306821802
Energy: 1.0234136295322787
Energy: 0.779589896479861
Energy: 0.7413505101220886
Energy: 0.9661207840379704
Energy: 0.9777577558242687
Energy: 0.7543287109300549
Energy: 0.8339314695700822
Energy: 0.7283581959202375
Energy: 0.7274167435351154
Energy: 0.8302812702679224
Energy: 0.7582549811800392
Energy: 0.7229041508388817
Energy: 0.7212215298907022
Energy: 0.6789640735236914
Energy: 0.679249135669518
Energy: 0.7223245075682833
Energy: 0.6807706342425404
Energy: 0.6784251338270699
Energy: 0.710179441880164
Energy: 0.6759443556657548
Energy: 0.6757394306667939
Energy: 0.6706981890601791
Energy: 0.6760787677995356
Energy: 0.6787598506942779
Energy: 0.8747195787258936
Energy: 0.6859021072221836
Energy: 0.6790757027504243
Energy: 0.6709262677151987
Energy: 0.6929576197584494
Energy: 0.676166857913273
Energy: 0.6984416964504572
Energy: 0.6630779003434942
Energy: 0.6658497630981671
Energy: 0.6668220703942996
Energy: 0.6792074091305595
Energy: 0.6666261031400796
Energy: 0.7009615501614211
Energy: 0.6598630567223486
Energy: 0.6698196462042625
Energy: 0.6658369736382107
Energy: 0.6628870662034264
Energy: 0.6700838469390599
Energy: 0.9190882643004002
Energy: 0.6678032836766563
Energy: 0.6679019019425884
Energy: 0.9219673834350256
Energy: 0.668323915867406
Energy: 0.9217948141388141
Energy: 0.9286249203709306
Energy: 0.7129969896121451
Energy: 0.7136590398040815
Energy: 0.7620520332530228
Energy: 0.6867589117794269
Energy: 0.7136307692794865
Energy: 0.9190865094810262
Energy: 0.812750478685859
Energy: 0.7947113273054797
Energy: 0.8495796895092327
Energy: 0.8957879551108839
Energy: 0.7003874119996185
Energy: 0.816611968921413
Energy: 0.7153265800173366
Energy: 0.9372738369226028
Energy: 0.7311261573910849
Energy: 0.7426740038107802
Energy: 0.9393348073475669

minimum gb energy = 0.655924352601076 eV
minimum distance =  2.31298390250968 Angstroms
sigma value = 57


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

Energy: 0.6070366633762725
Energy: 0.8395843071735445
Energy: 0.7232785462562946
Energy: 0.8202366417910093
Energy: 0.8583841954783288
Energy: 0.7238929123487051
Energy: 0.7144081884623383
Energy: 0.6462663660803217
Energy: 0.6449630851201549
Energy: 0.6935719088177282
Energy: 0.7919126984608045
Energy: 0.6760328655227208
Energy: 0.7222442421916045
Energy: 0.6402621712127521
Energy: 0.6438662019198331
Energy: 0.6770369862010981
Energy: 0.6526557966494474
Energy: 0.6426822369165971
Energy: 0.7689924547532654
Energy: 0.6521956432515135
Energy: 0.6537467496100101
Energy: 0.768128023826655
Energy: 0.6484277955435284
Energy: 0.6399359274592831
Energy: 0.6634013557938828
Energy: 0.6323628131702357
Energy: 0.633927514360458
Energy: 0.6657282240651183
Energy: 0.6371185468821141
Energy: 0.6349767661303973
Energy: 0.6633317263190712
Energy: 0.6387597814537977
Energy: 0.6319703017352738
Energy: 0.6483490980699583
Energy: 0.6323877637279766
Energy: 0.6319580168059648
Energy: 0.6665621938447709
Energy: 0.758397853952685
Energy: 0.6464499817288967
Energy: 0.8017243717928351
Energy: 0.8027323387589314
Energy: 0.6465057861424541
Energy: 0.697872108416863
Energy: 0.6767051496492372
Energy: 0.6771929660211987
Energy: 0.6642683677883808
Energy: 0.6764467733510012
Energy: 0.8707118224363025
Energy: 0.7247332114737619
Energy: 0.6873410209166636
Energy: 0.6837094113561447
Energy: 0.7245533173273655
Energy: 0.6756521174102831
Energy: 0.6848152453608876
Energy: 0.9018134286630268
Energy: 0.6932250583591798
Energy: 0.6896067993525627
Energy: 0.8529927928219363
Energy: 0.8074261856133992
Energy: 0.6865639411358139
Energy: 0.9228738344659247
Energy: 0.688793919874474
Energy: 0.7582892224849838
Energy: 0.8663022251797031
Energy: 0.7929441985982747
Energy: 0.7584344828609305
Energy: 0.923846567794731
Energy: 0.6814235142937728
Energy: 0.676186695455468
Energy: 0.8959505016167133
Energy: 0.6779350033979202
Energy: 0.728986149348068
Energy: 0.7865756697973532
Energy: 0.6768445405710456
Energy: 0.7211819676870297
Energy: 0.7204552973194526
Energy: 0.6765936652481204
Energy: 0.718645844853217
Energy: 0.7079085570658746
Energy: 0.6531792621067211
Energy: 0.6454386932290533
Energy: 0.6992781157856116
Energy: 0.8009673512105208
Energy: 0.6434923303134156
Energy: 0.7234911121534235
Energy: 0.6495335033515833
Energy: 0.6645816683504173
Energy: 0.6777571070942188
Energy: 0.653687143719114
Energy: 0.6642560105804359
Energy: 0.7698677173816423
Energy: 0.6469504926974925
Energy: 0.6464869843633753
Energy: 0.769646868577862
Energy: 0.6398628866614635
Energy: 0.6580482260316225
Energy: 0.668430618746133
Energy: 0.6329872537731343
Energy: 0.6329353215314226
Energy: 0.669258409771784
Energy: 0.6327173845948167
Energy: 0.6324768983995807
Energy: 0.6674298321716067
Energy: 0.637828843929506
Energy: 0.6319828300005702
Energy: 0.664013266313385
Energy: 0.66254787615604
Energy: 0.6320379615675927
Energy: 0.7227396865757401
Energy: 0.6766528975978396
Energy: 0.6768671667862995
Energy: 0.7778620970754405
Energy: 0.693834409210233
Energy: 0.6774936312235645
Energy: 0.7229463275075875
Energy: 0.6772714987046649
Energy: 0.6778614674612071
Energy: 0.6717056674339826
Energy: 0.6766638060312549
Energy: 0.6778451739364618
Energy: 0.7243262753588382
Energy: 0.6787124872588691
Energy: 0.6764844099671031
Energy: 0.724068885455493
Energy: 0.6797316251756296
Energy: 0.6820136052152068
Energy: 0.7811223862498506
Energy: 0.7003089526949875
Energy: 0.6972747562418316
Energy: 0.7670094492806503
Energy: 0.7001575185228349
Energy: 0.7362708922671769
Energy: 0.9223579800359513
Energy: 0.6817783703624734
Energy: 0.6794312400364386
Energy: 0.7909149998461453
Energy: 0.6987836934937391
Energy: 0.6799043866496047
Energy: 0.7869282866370291
Energy: 0.6766540056866697
Energy: 0.7209237264441657
Energy: 0.724090381441535
Energy: 0.6779843503655641
Energy: 0.7189028132991739

minimum gb energy = 0.6070366633762725 eV
minimum distance =  2.39218920502532 Angstroms
sigma value = 17


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

Energy: 0.6686849612505996
Energy: 0.868929919203013
Energy: 0.7122182235332802
Energy: 0.6426605096451241
Energy: 0.8707432522263303
Energy: 0.6430205417792241
Energy: 0.8661321669133492
Energy: 0.7651259452144118
Energy: 0.6514699554131372
Energy: 0.7955088948840524
Energy: 0.7841711372095302
Energy: 0.6554642472949437
Energy: 0.8455183779326929
Energy: 0.6278449306681374
Energy: 0.6282917832788928
Energy: 0.6533044927936036
Energy: 0.6567040201924476
Energy: 0.6284916034500687
Energy: 0.8196380252656148
Energy: 0.622986937812674
Energy: 0.6168907142915855
Energy: 0.819895679397244
Energy: 0.5656831243925803
Energy: 0.6625620785432552
Energy: 0.7402576943578949
Energy: 0.5917507202853616
Energy: 0.59311748092263
Energy: 0.740530293987443
Energy: 0.591630936495309
Energy: 0.592518662375972
Energy: 0.6308807571909889
Energy: 0.5987145643725595
Energy: 0.5991640224882686
Energy: 0.5729139970136649
Energy: 0.5907399254520871
Energy: 0.5640966838204629
Energy: 0.7402072547390237
Energy: 0.6165087842731238
Energy: 0.5618211299332886
Energy: 0.7876732903159144
Energy: 0.6157168650454723
Energy: 0.5590895386452142
Energy: 0.6187143615961993
Energy: 0.5659092657544785
Energy: 0.7197468801711128
Energy: 0.5743229872484705
Energy: 0.5648057677660288
Energy: 0.7187753029606962
Energy: 0.7330537136297447
Energy: 0.5596656097879668
Energy: 0.5591345716551216
Energy: 0.7337554076378404
Energy: 0.6812670434174153
Energy: 0.5589920756999129
Energy: 0.6210700369869105
Energy: 0.6115726832997836
Energy: 0.5980414901037251
Energy: 0.6326613801385835
Energy: 0.5925103928500979
Energy: 0.5945151581265146
Energy: 0.6213741476000381
Energy: 0.5934286512542233
Energy: 0.5865505090328013
Energy: 0.5947291520297515
Energy: 0.7417796106747775
Energy: 0.5867116662681456
Energy: 0.7435494628462375
Energy: 0.6915208176264488
Energy: 0.6400011961204461
Energy: 0.6966980290182023
Energy: 0.6863113813058629
Energy: 0.6384241843575585
Energy: 0.7435394189997001
Energy: 0.6590258666519723
Energy: 0.6542301952582099
Energy: 0.6197960655602405
Energy: 0.6956690602056779
Energy: 0.6991702990710689
Energy: 0.6216381258951694
Energy: 0.6523563765589868
Energy: 0.6528313902237436
Energy: 0.6198512131898037
Energy: 0.6513411931984417
Energy: 0.6541858217451743
Energy: 0.991812285538745
Energy: 0.6622446199933297
Energy: 0.6831309372006207
Energy: 0.8975258829718858
Energy: 0.6643061874470989
Energy: 0.682865630695188
Energy: 0.8641577321296838
Energy: 0.6519852888198064
Energy: 0.661159199046113
Energy: 0.8508478107840829
Energy: 0.6550899603103715
Energy: 0.6514452029816661
Energy: 0.6028017397509163
Energy: 0.6736368014951192
Energy: 0.6885980128874672
Energy: 0.6395154122837591
Energy: 0.6739354500477968
Energy: 0.6896981377006328

minimum gb energy = 0.5589920756999129 eV
minimum distance =  2.38904869693559 Angstroms
sigma value = 17


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

Energy: 0.6777045652169039
Energy: 1.0459910141494262
Energy: 0.6126094990062605
Energy: 0.6004059674112302
Energy: 0.7264443463320059
Energy: 0.6126800137514378
Energy: 0.8470876788437433
Energy: 0.7363356470063043
Energy: 0.6311041488228673
Energy: 0.7645406950964169
Energy: 0.7370703143793067
Energy: 0.6090079469996478
Energy: 0.7976320436984371
Energy: 0.5700011564408234
Energy: 0.5914127719226054
Energy: 0.7148185617882287
Energy: 0.5343187427696
Energy: 0.5908469942492086
Energy: 0.7789415317223682
Energy: 0.528656601488063
Energy: 0.6739281066378273
Energy: 0.7672625044898467
Energy: 0.5295452529607421
Energy: 0.6734401126993282
Energy: 0.7339340330699582
Energy: 0.5686942322908296
Energy: 0.568182139855254
Energy: 0.7344748343304092
Energy: 0.5584182408985792
Energy: 0.5546822100863231
Energy: 0.6517738210296155
Energy: 0.5614017460800182
Energy: 0.5397677897758698
Energy: 0.5370502439979851
Energy: 0.5611888489859561
Energy: 0.5342719646820921
Energy: 0.6606299643636464
Energy: 0.613433978491265
Energy: 0.528464639077621
Energy: 0.5942754580217224
Energy: 0.7265867093896206
Energy: 0.5236551595407314
Energy: 0.6622120113361821
Energy: 0.5265402533078539
Energy: 0.5216174355700286
Energy: 0.5432048357620708
Energy: 0.5276595335789697
Energy: 0.5224590036582664
Energy: 0.6863867178532436
Energy: 0.5409202289156214
Energy: 0.5205467265588433
Energy: 0.6875701467900273
Energy: 0.7224865534039141
Energy: 0.519475205697613
Energy: 0.6583464401666211
Energy: 0.53437759382204
Energy: 0.5156365955036802
Energy: 0.6585694218340973
Energy: 0.53383974751339
Energy: 0.5213272051633925
Energy: 0.6916824095075804
Energy: 0.523081925761725
Energy: 0.5251306631514533
Energy: 0.5236051835037592
Energy: 0.6588250334025253
Energy: 0.5208694653172552
Energy: 0.7217138413466877
Energy: 0.5193100337253298
Energy: 0.5195235040611053
Energy: 0.7211829006829102
Energy: 0.6853312081126826
Energy: 0.5200028822799345
Energy: 0.671398975513609
Energy: 0.6615501746307388
Energy: 0.6620013987326386
Energy: 0.5570877048352778
Energy: 0.51949448277091
Energy: 0.5275849647707896
Energy: 0.7198210068665081
Energy: 0.5282674472806481
Energy: 0.5280517276428708
Energy: 0.7217401441478967
Energy: 0.5895085267510959
Energy: 0.5281240478169592
Energy: 0.7179712317675697
Energy: 0.5349302941650234
Energy: 0.5260523611232554
Energy: 0.5613979401517246
Energy: 0.5320819905601584
Energy: 0.5655933982222626
Energy: 0.7193581943444457
Energy: 0.5635061917241924
Energy: 0.5569093281644386
Energy: 0.5658204073431541
Energy: 0.6610297203120409
Energy: 0.5683796864596169
Energy: 0.6695098802411772
Energy: 0.7675536874596465
Energy: 0.7038195451432668
Energy: 0.6703021011161419
Energy: 0.7666924723619994
Energy: 0.5662796326605356
Energy: 0.6700589713049707
Energy: 0.6037427546117509
Energy: 0.6053255435995244
Energy: 0.7358664707171051
Energy: 0.6036695010605967
Energy: 0.5639890138505188
Energy: 0.7187675495384991
Energy: 0.6375470160380382
Energy: 0.638253022923361
Energy: 0.6425024847295643
Energy: 0.6841858903117786
Energy: 0.6087727607358601
Energy: 0.9502993108356915
Energy: 0.5678740866620717
Energy: 0.5816073704690363
Energy: 0.7190431369636296
Energy: 0.5700876345347525
Energy: 0.6323145907068443
Energy: 0.8482806772829486
Energy: 0.612677695271368
Energy: 0.6132535756497502
Energy: 0.7766599047842144
Energy: 0.6111993757606881
Energy: 0.6033673931862049
Energy: 0.6773216817386212
Energy: 0.6231709133934319
Energy: 0.6636439910995552
Energy: 0.5742560031475145
Energy: 0.6586772497328836
Energy: 0.6279636991856584
Energy: 0.6833415913643007
Energy: 0.7428833484886311
Energy: 0.7418957710252336
Energy: 0.6840010605627868
Energy: 0.7153541348345499
Energy: 0.668699882996261
Energy: 0.8435879355043202
Energy: 0.5295488198821698
Energy: 0.6265528723031706
Energy: 0.7424983072096385
Energy: 0.6721933387697775
Energy: 0.7384135561347231
Energy: 0.858014934749156
Energy: 0.5349584752591766
Energy: 0.5923901383515816
Energy: 0.8085248115478334
Energy: 0.5361702524368847
Energy: 0.5940496842520178
Energy: 0.7336978834338254
Energy: 0.5647822491626695
Energy: 0.5650793689475391
Energy: 0.7360869701278524
Energy: 0.5571832504230859
Energy: 0.6380768895750527
Energy: 0.6532588789582191
Energy: 0.5528916261527815
Energy: 0.5528716435192406
Energy: 0.5313017718237468
Energy: 0.5652476133724282
Energy: 0.5309903419382782
Energy: 0.6470777162131789
Energy: 0.684310784289084
Energy: 0.60801444299841
Energy: 0.6475481242751254
Energy: 0.7090968439762614
Energy: 0.5662468397090813
Energy: 0.662086777708417
Energy: 0.5212226264584703
Energy: 0.5211708193771869
Energy: 0.5219138763014606
Energy: 0.612021811916673
Energy: 0.5201674506672781
Energy: 0.6610536618704947
Energy: 0.5342703504137057
Energy: 0.5265973609611653
Energy: 0.6612418414441299
Energy: 0.5229122054988227
Energy: 0.5267203089222745
Energy: 0.6820345121082619
Energy: 0.522867600507491
Energy: 0.5237900134474415
Energy: 0.6554371352100321
Energy: 0.5226942279996919
Energy: 0.5239338808488985
Energy: 0.6947641701703713
Energy: 0.523825601861373
Energy: 0.6544437143537566
Energy: 0.5321292533004849
Energy: 0.522523412705156
Energy: 0.6535484195592869
Energy: 0.7863552922597276
Energy: 0.6817421291126471
Energy: 0.680554834337936
Energy: 0.7880234475999769
Energy: 0.6859205926820471
Energy: 0.5199547768167012
Energy: 0.6620036266705589
Energy: 0.5276324058705724
Energy: 0.5289072470273553
Energy: 0.5315754779673555
Energy: 0.5334156622145106
Energy: 0.5286112610344622
Energy: 0.7345748052445593
Energy: 0.5287626475633316
Energy: 0.5290120192047639
Energy: 0.735855072808387
Energy: 0.5275816891197351
Energy: 0.5192595229375367
Energy: 0.7188504241844593
Energy: 0.5524601653636623
Energy: 0.5616170323338858
Energy: 0.7185471543479545
Energy: 0.5545495648863032
Energy: 0.5612689645413791
Energy: 0.7200882600289917
Energy: 0.6380641404867523
Energy: 0.5606269156919184
Energy: 0.5977871491948752
Energy: 0.6616948048635727
Energy: 0.5601635902329483
Energy: 0.6639804110675412
Energy: 0.7805377634608303
Energy: 0.6670071773242382
Energy: 0.6398684679500608
Energy: 0.7839149638783272
Energy: 0.5821513830748513
Energy: 0.6636307199449721
Energy: 0.6391038076821906
Energy: 0.6020630537636941
Energy: 0.5669813020191511
Energy: 0.6344397047999655
Energy: 0.5632426676594565
Energy: 0.7181809108140775
Energy: 0.6209671305229649
Energy: 0.6071960284958908
Energy: 0.6410900169971985
Energy: 0.6197801271739385
Energy: 0.6905762822592831
Energy: 0.8006503750519193
Energy: 0.5664248931042982
Energy: 0.654309728342957
Energy: 0.8069730084684777
Energy: 0.5704712799916005
Energy: 0.6490612991649136
Energy: 0.8442817398940895
Energy: 0.5951262206869512
Energy: 0.6394627035344925
Energy: 0.7378188511088359
Energy: 0.636559880669104
Energy: 0.7374486885700505
Energy: 0.685661986729455
Energy: 0.6195372234024933
Energy: 0.6135911377085437
Energy: 0.6720752985088945
Energy: 0.613871388170366
Energy: 0.6636617744759684

minimum gb energy = 0.5156365955036802 eV
minimum distance =  2.38057511300697 Angstroms
sigma value = 57


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

Energy: 0.6245058238525922
Energy: 0.9999762258990271
Energy: 0.5700427900222528
Energy: 0.514736872397625
Energy: 0.9928842449981824
Energy: 0.5700515291955327
Energy: 0.8743299813382448
Energy: 0.5793960022511755
Energy: 0.6318016719727163
Energy: 0.5732741474006271
Energy: 0.5463882556447015
Energy: 0.5800362777695657
Energy: 0.8581382883571526
Energy: 0.5321089785742978
Energy: 0.5115521696404723
Energy: 0.6789767393071182
Energy: 0.5836587023350006
Energy: 0.5573437051418982
Energy: 0.8178252787590691
Energy: 0.505367902893371
Energy: 0.6442129726850919
Energy: 0.815932071984536
Energy: 0.6946329877407112
Energy: 0.6573799924015141
Energy: 0.6409530563996177
Energy: 0.5369216729518926
Energy: 0.5344920261739271
Energy: 0.6328664180642595
Energy: 0.5315388947928801
Energy: 0.5344670094333258
Energy: 0.6157060752699742
Energy: 0.5258025852415007
Energy: 0.4959268835599925
Energy: 0.4825220381425499
Energy: 0.5257662221719657
Energy: 0.4949577445389967
Energy: 0.6374744227698093
Energy: 0.7150711789360749
Energy: 0.6247370134738414
Energy: 0.573844423180966
Energy: 0.711288245216016
Energy: 0.5104891055122371
Energy: 0.6428567542851851
Energy: 0.5008127875397258
Energy: 0.49008148502065046
Energy: 0.5185088458018786
Energy: 0.48998721009081925
Energy: 0.48526388956656125
Energy: 0.6490844571172041
Energy: 0.5069002478323144
Energy: 0.4876215984299253
Energy: 0.6502963828417728
Energy: 0.7136423384471496
Energy: 0.588113873135182
Energy: 0.681615201865892
Energy: 0.48796638997941966
Energy: 0.4890101593789479
Energy: 0.6693953245890554
Energy: 0.4996322748851848
Energy: 0.48700964999894847
Energy: 0.6314290504864365
Energy: 0.47352438441703504
Energy: 0.4825439028796482
Energy: 0.4803507275890402
Energy: 0.6216096623861189
Energy: 0.4836482253573484
Energy: 0.7172628133287415
Energy: 0.6335529566097108
Energy: 0.4841053882166772
Energy: 0.7182361193793153
Energy: 0.6314801179067345
Energy: 0.4843282381163434
Energy: 0.7204798744223533
Energy: 0.4850564853217469
Energy: 0.48721008685358924
Energy: 0.5499780826262419
Energy: 0.4875529579182639
Energy: 0.6047558433333756
Energy: 0.6257714594720297
Energy: 0.483515637806634
Energy: 0.4825844938740161
Energy: 0.6271570135476165
Energy: 0.7162956401064589
Energy: 0.485774716439169
Energy: 0.6177290929759875
Energy: 0.48264137218777425
Energy: 0.4799081826343706
Energy: 0.5532309512485006
Energy: 0.48699493827853224
Energy: 0.47989981836240375
Energy: 0.752200101769065
Energy: 0.570114423537534
Energy: 0.48430817057729864
Energy: 0.4924456089029597
Energy: 0.662629508044831
Energy: 0.48645172149544824
Energy: 0.6650825891753637
Energy: 0.5660330970240485
Energy: 0.48402868599283033
Energy: 0.7092599044551696
Energy: 0.653754642571524
Energy: 0.4852210397651398
Energy: 0.6256763407733137
Energy: 0.5046431166708102
Energy: 0.4832637392771718
Energy: 0.6272186641201976
Energy: 0.6240046930177517
Energy: 0.4825188875483725
Energy: 0.7070513272542858
Energy: 0.48964257634029723
Energy: 0.48991147424086445
Energy: 0.7098040149575654
Energy: 0.5667840838533851
Energy: 0.7241384654423694
Energy: 0.6994725339906767
Energy: 0.4949195640814354
Energy: 0.5011285972246693
Energy: 0.5272599589167087
Energy: 0.48997511151108275
Energy: 0.5348771059426582
Energy: 0.8013030654488195
Energy: 0.5650559984533217
Energy: 0.5937395702867105
Energy: 0.5521572969657623
Energy: 0.6405290544766182
Energy: 0.5327107007088892
Energy: 0.6223860999387576
Energy: 0.6682842247978912
Energy: 0.529253331779606
Energy: 0.4980024373239864
Energy: 0.6684653943763236
Energy: 0.5328217442920735
Energy: 0.6469754955084
Energy: 0.5639725231309759
Energy: 0.5649847091662169
Energy: 0.6489900552981787
Energy: 0.5735533708169177
Energy: 0.5658453383914661
Energy: 0.8830918611457701
Energy: 0.6011009209455914
Energy: 0.6454578223682458
Energy: 0.5583893354279578
Energy: 0.5265797584247905
Energy: 0.5334574800078873
Energy: 0.7610626486393828
Energy: 0.5321779853970591
Energy: 0.5683187001188197
Energy: 0.7548634480811309
Energy: 0.529940978883406
Energy: 0.6194712128414155
Energy: 0.8745395316728937
Energy: 0.5734443518889939
Energy: 0.5751152875828036
Energy: 0.5737673403208656
Energy: 0.5811432583540548
Energy: 0.5790078543118887
Energy: 0.6242699547719958
Energy: 0.5777593105841717
Energy: 0.5859029421552286
Energy: 0.5075556254135138
Energy: 0.610244116848554
Energy: 0.5904425598541204

minimum gb energy = 0.47352438441703504 eV
minimum distance =  2.382619233901 Angstroms
sigma value = 43


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

Energy: 0.5351710800918176
Energy: 0.5340778631791089
Energy: 0.4878507059942394
Energy: 0.4435382374152678
Energy: 0.5360517124339331
Energy: 0.4789387355010511
Energy: 0.8047370945060925
Energy: 0.4225895436999284
Energy: 0.4547633742679052
Energy: 0.5093779712255315
Energy: 0.42065085022896853
Energy: 0.5388136555279116
Energy: 0.8099627777030647
Energy: 0.41821399838132006
Energy: 0.5069261906939428
Energy: 0.4519403770567748
Energy: 0.48654944457497645
Energy: 0.5072614010286017
Energy: 0.7043041460371858
Energy: 0.4368474973669264
Energy: 0.4882056583821898
Energy: 0.4643371580163723
Energy: 0.5786158697981244
Energy: 0.5785536959662834
Energy: 0.5480744435380208
Energy: 0.45202622457310093
Energy: 0.42232008517118724
Energy: 0.547749608230732
Energy: 0.5075627794635467
Energy: 0.4199357095169748
Energy: 0.5210589436149913
Energy: 0.4237265022081465
Energy: 0.41344856259575613
Energy: 0.407237560919086
Energy: 0.4917642196566307
Energy: 0.4099463670988408
Energy: 0.7183695799527456
Energy: 0.5829253711483243
Energy: 0.4457010556336234
Energy: 0.5126517145446071
Energy: 0.6317005401158593
Energy: 0.4251755233118109
Energy: 0.7168113276706928
Energy: 0.39750733890423157
Energy: 0.4315718669423131
Energy: 0.4209806434793927
Energy: 0.39314974690760046
Energy: 0.43040540193933347
Energy: 0.578098403370151
Energy: 0.39687147962045694
Energy: 0.5225640114309688
Energy: 0.5787913389904255
Energy: 0.533043788340045
Energy: 0.5546239677208725
Energy: 0.5610454321624381
Energy: 0.3840838474764605
Energy: 0.3834079803230936
Energy: 0.5612000007984896
Energy: 0.42522660361308773
Energy: 0.3841884962134962
Energy: 0.5169545631297658
Energy: 0.3851241982007235
Energy: 0.3858903902463772
Energy: 0.3914507249916948
Energy: 0.5301967782173345
Energy: 0.386676552666661
Energy: 0.6336832295681883
Energy: 0.5017276294167098
Energy: 0.4767812781665598
Energy: 0.6347411364611418
Energy: 0.5454223028315799
Energy: 0.3807890595361846
Energy: 0.6362213702873529
Energy: 0.47809026665558646
Energy: 0.38094595519271895
Energy: 0.440906076157082
Energy: 0.4710146485917488
Energy: 0.3826801033460526
Energy: 0.5226767698907361
Energy: 0.29980715678710623
Energy: 0.44730786142016904
Energy: 0.521792177453989
Energy: 0.5825702974601986
Energy: 0.48243826607162554
Energy: 0.5641321034042531
Energy: 0.38088278593101477
Energy: 0.37896686012233266
Energy: 0.5464666478392576
Energy: 0.5075552816882863
Energy: 0.37858253806021824
Energy: 0.522284532573043
Energy: 0.4798392360891414
Energy: 0.43809678583233347
Energy: 0.4646140306545958
Energy: 0.49675780169547545
Energy: 0.3812683271857998
Energy: 0.5929932690284826
Energy: 0.4823817359167886
Energy: 0.4718586100794719
Energy: 0.5953074356543223
Energy: 0.49280818965327466
Energy: 0.3834075975175646
Energy: 0.5909206576385133
Energy: 0.38257481517255815
Energy: 0.3829259826354542
Energy: 0.4757159825482364
Energy: 0.3832115686401089
Energy: 0.38289000344278934
Energy: 0.5079358994574521
Energy: 0.5005136226860661
Energy: 0.44251595691831286
Energy: 0.47669970481899426
Energy: 0.5874005850264761
Energy: 0.4773108563644585
Energy: 0.5959578231536687
Energy: 0.3903685486536098
Energy: 0.3903298781314961
Energy: 0.4938159034335607
Energy: 0.39083174855875186
Energy: 0.38533693823629606
Energy: 0.6104724329058572
Energy: 0.4947275039539357
Energy: 0.4681102175306079
Energy: 0.612337506521095
Energy: 0.49897707784431644
Energy: 0.3855430522178945
Energy: 0.5229242332178219
Energy: 0.4796196922853214
Energy: 0.38200727674305307
Energy: 0.5213091080889867
Energy: 0.5076579588534202
Energy: 0.3806964353876954
Energy: 0.5864141634577159
Energy: 0.37937604672426517
Energy: 0.37899816485099574
Energy: 0.5871469903625331
Energy: 0.5062000017098096
Energy: 0.3789210307926731
Energy: 0.5458967836192445
Energy: 0.37888678508430446
Energy: 0.4975819078493901
Energy: 0.546601578552673
Energy: 0.5574366991383327
Energy: 0.5004089559666635
Energy: 0.6714372456400501
Energy: 0.39163424998347257
Energy: 0.3839882044599128
Energy: 0.38413921051545646
Energy: 0.4428174133191324
Energy: 0.3836400469487097
Energy: 0.684420571738699
Energy: 0.5589953140187778
Energy: 0.5245613113933252
Energy: 0.5458120787083944
Energy: 0.576054563641449
Energy: 0.38455482908964655
Energy: 0.5191176908986465
Energy: 0.4155640487091083
Energy: 0.398876939107918
Energy: 0.39648187053870787
Energy: 0.5205254199130667
Energy: 0.3949837524056779
Energy: 0.5382544750352272
Energy: 0.42081944219226886
Energy: 0.39420184842718514
Energy: 0.5383564272608299
Energy: 0.5362309987256165
Energy: 0.3917525916323357
Energy: 0.6289112260503399
Energy: 0.4788774389964341
Energy: 0.5559698123808299
Energy: 0.6294916276607121
Energy: 0.5388018058491185
Energy: 0.6279554949444351
Energy: 0.7623154279542729
Energy: 0.4349638915916591
Energy: 0.45801750549302106
Energy: 0.42118956543364183
Energy: 0.4053960439027395
Energy: 0.44935090690705415
Energy: 0.7581958894254041
Energy: 0.45259624265305337
Energy: 0.42374343721714147
Energy: 0.4542945437597059
Energy: 0.5577678896563162
Energy: 0.4628258055332187
Energy: 0.5273895587223149
Energy: 0.46304287510100767
Energy: 0.43889335127918166
Energy: 0.41783114570651325
Energy: 0.4620821274302527
Energy: 0.4674959384327298
Energy: 0.5675373565551142
Energy: 0.45654958581876603
Energy: 0.4570464515036467
Energy: 0.5013306120432823
Energy: 0.4577770853258721
Energy: 0.4589105770044073
Energy: 0.7653861844991502
Energy: 0.4672147097728843
Energy: 0.5127977619539131
Energy: 0.42353724857876646
Energy: 0.5828879256631462
Energy: 0.5335149412171168
Energy: 0.8096321513585075
Energy: 0.43385998626752253
Energy: 0.4793845696782272
Energy: 0.45345535297419
Energy: 0.4301651241568786
Energy: 0.5307968059557914
Energy: 0.7771137152270012
Energy: 0.4565218442413192
Energy: 0.4565000536918073
Energy: 0.5124655274092016
Energy: 0.5030571557354991
Energy: 0.45730009426085166

minimum gb energy = 0.29980715678710623 eV
minimum distance =  2.38150326810712 Angstroms
sigma value = 81


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

Energy: 0.4640821253323086
Energy: 0.5618156725459008
Energy: 0.00010249976531220777
Energy: 0.0019162133819999076
Energy: 0.5627383045674382
Energy: 0.4583826405068384
Energy: 0.8235224396593681
Energy: 0.7116922106017189
Energy: 0.7117621783867106
Energy: 0.721687614205843
Energy: 0.7138300121581246
Energy: 0.663207897034624
Energy: 0.6321449240952712
Energy: 7.380682707334571e-05
Energy: 0.00034669229631519114
Energy: 0.8207010471898499
Energy: 0.00010076344349977426
Energy: 0.0009617984292170041
Energy: 0.7909416545776843
Energy: 0.0002742970765077153
Energy: 0.001009611909576374
Energy: 0.6266282866065523
Energy: 0.00016653367418949266
Energy: 0.03938773600457803
Energy: 0.0005213078724824353
Energy: 0.6651721910614645
Energy: 0.653916839895056
Energy: 0.0010510238290131664
Energy: 1.1855576082368409
Energy: 0.659457828529016
Energy: 0.0009256840547532665
Energy: 0.6148603364129834
Energy: 0.0004930725020729419
Energy: 0.0021592994421416344
Energy: 0.890357334448623
Energy: 0.00025686514373590485
Energy: 0.8450725228605975
Energy: 0.7205401922838232
Energy: 0.663121498938762
Energy: 0.6690041115367344
Energy: 0.7130556025462262
Energy: 0.6286852509421373
Energy: 0.8064762636427898
Energy: 8.339099823443953e-05
Energy: 0.00027805889584490995
Energy: 0.7059345357995539
Energy: 3.802618568036248e-05
Energy: 0.0007527211934259243
Energy: 0.7765636364251285
Energy: 0.00010877510459696794
Energy: 0.0010916176994468462
Energy: 0.7103356897704375
Energy: 0.00011990984551400119
Energy: 0.040323813336169446
Energy: 0.5313520421734785
Energy: 0.8070706164213204
Energy: 0.6614444686989122
Energy: 0.0014705911852930839
Energy: 1.2696518528497325
Energy: 0.7352502524459671

minimum gb energy = 3.802618568036248e-05 eV
minimum distance =  2.34341342785447 Angstroms
sigma value = 3


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

Energy: 1.2608960818289396
Energy: 0.4825784804391305
Energy: 0.4867601431604378
Energy: 0.4351598325801256
Energy: 0.5146708498482555
Energy: 0.44156998593595714
Energy: 0.568054582191724
Energy: 0.5026030116300713
Energy: 0.5040119041331431
Energy: 0.5497146821716546
Energy: 0.5556216074124792
Energy: 0.49806674041353116
Energy: 0.5209811424299158
Energy: 0.4708830531388659
Energy: 0.47627498608444213
Energy: 0.5096683917773751
Energy: 0.4747038670820795
Energy: 0.4859177936322508
Energy: 0.5177057208093987
Energy: 0.4681144438336458
Energy: 0.4700999108430506
Energy: 0.5174513487254963
Energy: 0.4786048036947934
Energy: 0.48498977361745554
Energy: 0.5140943403382363
Energy: 0.4956559222629576
Energy: 0.49468346131142393
Energy: 0.5135568923956716
Energy: 0.50680275997259
Energy: 0.4963816681896781
Energy: 0.4699327656185183
Energy: 0.49229804264395943
Energy: 0.48786199023855004
Energy: 0.43549771226099815
Energy: 0.4923413792007392
Energy: 0.46543038030938666
Energy: 0.5968540216546155
Energy: 0.49556477819507194
Energy: 0.49405847889813953
Energy: 0.5984035741026229
Energy: 0.49738594147128534
Energy: 0.5383539329282722
Energy: 0.5522089953890654
Energy: 0.4591233542154724
Energy: 0.47084739635501066
Energy: 0.5518729373333121
Energy: 0.4224837358268736
Energy: 0.4807875039936967
Energy: 0.5142827354033
Energy: 0.48082976358427976
Energy: 0.49733195744824676
Energy: 0.515757705262962
Energy: 0.489098319060228
Energy: 0.49816487316217617
Energy: 0.49723512371366513
Energy: 0.5509738789220218
Energy: 0.49106523833926713
Energy: 0.49673095100675496
Energy: 0.552091770531348
Energy: 0.49066185362421466
Energy: 0.4821764686111905
Energy: 0.4908025247999182
Energy: 0.49033313424524533
Energy: 0.44106048478475746
Energy: 0.49357666552223634
Energy: 0.46968629462872363
Energy: 0.5212584139239121
Energy: 0.5025973934936495
Energy: 0.5167219506256018
Energy: 0.5225332874848004
Energy: 0.5039993879984412
Energy: 0.4681619899117825
Energy: 0.5187360764787025
Energy: 0.42318867753024475
Energy: 0.43829030222862925
Energy: 0.5185245633513178
Energy: 0.4234359907539426
Energy: 0.4784927043175242
Energy: 0.4867141645511769
Energy: 0.5167056659271021
Energy: 0.4757803378163234
Energy: 0.4914406900447893
Energy: 0.48994834027011047
Energy: 0.4882520022355493
Energy: 0.48640500004138404
Energy: 0.43734884518389716
Energy: 0.4361259799079324
Energy: 0.4853602836700531
Energy: 0.5006024632703342
Energy: 0.45319216958058955
Energy: 0.48385824802178157
Energy: 0.47062663573260016
Energy: 0.4692200943085443
Energy: 0.43542812884398835
Energy: 0.49030674020706644
Energy: 0.4844382980341124
Energy: 0.5254504405786823
Energy: 0.47797480771774103
Energy: 0.48202746563541016
Energy: 0.49349021271598326
Energy: 0.4839755493663368
Energy: 0.4291237720683587
Energy: 0.5164692120765673
Energy: 0.4295310893941908
Energy: 0.4708754100598646
Energy: 0.5173796776985762
Energy: 0.4301278445816234
Energy: 0.47028224047072614
Energy: 0.43585596277621025
Energy: 0.49166050492262303
Energy: 0.47013621227528174
Energy: 0.43559553225946207
Energy: 0.5469077101142326
Energy: 0.4700841890242697
Energy: 0.4938955438788097
Energy: 0.4268034045839677
Energy: 0.4273493786663562
Energy: 0.4910090369800742
Energy: 0.4681263617425614
Energy: 0.42883310777775463
Energy: 0.49219661029988654
Energy: 0.428391491104132
Energy: 0.48590961898119606
Energy: 0.5017251756686993
Energy: 0.47371393223054176
Energy: 0.4791991162263514
Energy: 0.5002701608688465
Energy: 0.4611672919007644
Energy: 0.4821372118427008
Energy: 0.4752690534069904
Energy: 0.49939763433518747
Energy: 0.4541827298774677
Energy: 0.5301155403918862
Energy: 0.480773916678778
Energy: 0.48072887950536064
Energy: 0.5305752264304288
Energy: 0.47093543635785295
Energy: 0.49560916976349983
Energy: 1.029783033459241
Energy: 0.521363618724663
Energy: 0.5404071030363086
Energy: 0.4268887568339874
Energy: 0.5191950622717265
Energy: 0.49987286520646357
Energy: 0.5071802707538982
Energy: 0.48890837313926894
Energy: 0.46583785096412184
Energy: 0.5063102086682296
Energy: 0.5247677087084994
Energy: 0.47925982292708236
Energy: 0.5045374983725318
Energy: 0.4427920520715404
Energy: 0.5108440006598303
Energy: 0.49712052705622084
Energy: 0.4587906079467685
Energy: 0.48850733851464884
Energy: 0.5527878257764205
Energy: 0.48277170498209615
Energy: 0.47983251832667134
Energy: 0.5496172673331553
Energy: 0.4755883534464472
Energy: 0.4909243016009611
Energy: 0.49808857674170387
Energy: 0.4861870990389931
Energy: 0.48304709789603284
Energy: 0.4971376959356615
Energy: 0.5130301097650417
Energy: 0.4997795333616825
Energy: 0.4794466057422118
Energy: 0.5518653348429658
Energy: 0.5308131522091429
Energy: 0.4435363406317068
Energy: 0.5511627454665117
Energy: 0.4678542464244732
Energy: 0.53000182968148
Energy: 0.5436325328433167
Energy: 0.49979496421021447
Energy: 0.5364344896160068
Energy: 0.5998732591925322
Energy: 0.5351601153517326
Energy: 0.4939999596801413
Energy: 0.47755867136583124
Energy: 0.4709721708694335
Energy: 0.4942887939055054
Energy: 0.4215454573926757
Energy: 0.4786965723958069
Energy: 0.5234391194499947
Energy: 0.48201394881836956
Energy: 0.49525809867329296
Energy: 0.5087925290570976
Energy: 0.4822753535575791
Energy: 0.49021328132980363
Energy: 0.5062254660338826
Energy: 0.5121990254425701
Energy: 0.4878108035313226
Energy: 0.5064942134060136
Energy: 0.5182523540863045
Energy: 0.4895533355982585

minimum gb energy = 0.4215454573926757 eV
minimum distance =  2.35940514342543 Angstroms
sigma value = 67


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

Energy: 1.2254720825434942
Energy: 0.5784190405605271
Energy: 0.6167697476163817
Energy: 0.5977832971241301
Energy: 0.5783260845006583
Energy: 0.6117983351085452
Energy: 0.7201014393117453
Energy: 0.6961558071437077
Energy: 0.6801846861497375
Energy: 0.681849229824497
Energy: 0.694003986026261
Energy: 0.600270865745631
Energy: 0.7174069108934829
Energy: 0.5964961313601156
Energy: 0.646738559896361
Energy: 0.6208474255831252
Energy: 0.601745453326028
Energy: 0.6216876110715597
Energy: 0.6921986732199699
Energy: 0.6326502905772692
Energy: 0.6464410971509251
Energy: 0.6924159305239047
Energy: 0.5951800751797631
Energy: 0.6152523564025482
Energy: 0.7616994288733188
Energy: 0.6232688375328643
Energy: 0.6258759229864957
Energy: 0.7617984011118504
Energy: 0.693745840922922
Energy: 0.6091751047595242
Energy: 0.8407041688990645
Energy: 0.5968314721860414
Energy: 0.6057242517841395
Energy: 0.6096025610591921
Energy: 0.5975358354926089
Energy: 0.6067943036395778
Energy: 0.7274240486074471
Energy: 0.6223703838314036
Energy: 0.626239140176207
Energy: 0.7287687902350393
Energy: 0.6224807809533964
Energy: 0.6583717731197313
Energy: 0.6871317961473421
Energy: 0.5947317772342763
Energy: 0.6174037153151585
Energy: 0.684403182560544
Energy: 0.5956346210876209
Energy: 0.629241256742122
Energy: 0.6202932741916887
Energy: 0.6295113703071327
Energy: 0.6265855783103126
Energy: 0.6208898389059933
Energy: 0.6211595411468951
Energy: 0.6256078159133531
Energy: 0.6218674258544595
Energy: 0.6818150294924439
Energy: 0.6142917837660246
Energy: 0.6220711135887328
Energy: 0.6811682643457169
Energy: 0.616431703789179
Energy: 0.6050558215897972
Energy: 0.6140372896852585
Energy: 0.6152795858168759
Energy: 0.5992639698834851
Energy: 0.6187709984710595
Energy: 0.6090647639216377
Energy: 0.6855977723602119
Energy: 0.6154630380332805
Energy: 0.6256288094692334
Energy: 0.6872280809880922
Energy: 0.6126810706182024
Energy: 0.6098886483251522
Energy: 0.6814831245244591
Energy: 0.59992010719928
Energy: 0.6205420500005583
Energy: 0.681825540152252
Energy: 0.6013743417570719
Energy: 0.6102209968201661
Energy: 0.605572993899635
Energy: 0.6029820808493068
Energy: 0.6070670593448032
Energy: 0.6016860450163583
Energy: 0.6193704699055845
Energy: 0.6071658866754024
Energy: 0.6148495270249403
Energy: 0.6307780089079789
Energy: 0.6019150456033195
Energy: 0.6172697766996149
Energy: 0.6261746040773613
Energy: 0.6066696995052099
Energy: 0.6161789469368657
Energy: 0.6117398187034193
Energy: 0.6096574559255462
Energy: 0.6170783584489234
Energy: 0.614904803247387
Energy: 0.6164451407832249
Energy: 0.6727078153697289
Energy: 0.5904951433941533
Energy: 0.6272167032617415
Energy: 0.6726617326541061
Energy: 0.5904315602804178
Energy: 0.6051263413834949
Energy: 0.6750761469906711
Energy: 0.6267244863609422
Energy: 0.6233955355779087
Energy: 0.6756856369823567
Energy: 0.6228651764563168
Energy: 0.6292515744146776
Energy: 0.8419664291466857
Energy: 0.6026130472283807
Energy: 0.6577487225160542
Energy: 0.6063111646874491
Energy: 0.7511700955754697
Energy: 0.6026196769891172
Energy: 0.7106910316980681
Energy: 0.6644958610771362
Energy: 0.6255509333513362
Energy: 0.7025800670946397
Energy: 0.7302792309804759
Energy: 0.6253465852206838
Energy: 0.6165653256963344
Energy: 0.6120848886321537
Energy: 0.6343104968385701
Energy: 0.616885833111696
Energy: 0.6122157359983323
Energy: 0.6281620580093814
Energy: 0.7266927190860615
Energy: 0.5955455412145265
Energy: 0.6340830085518223
Energy: 0.6216922499466316
Energy: 0.6006471416397609
Energy: 0.6328749246103589
Energy: 0.7587275643425212
Energy: 0.6963228417579138
Energy: 0.6796346820652858
Energy: 0.7593084568769317
Energy: 0.6931179842896285
Energy: 0.6549626577402451

minimum gb energy = 0.5783260845006583 eV
minimum distance =  2.36007098734043 Angstroms
sigma value = 33


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

Energy: 1.392350893506575
Energy: 0.6971781173266097
Energy: 0.7306638593711494
Energy: 0.7036070242840534
Energy: 0.8686732492944798
Energy: 0.7024585970535819
Energy: 0.8316638928145796
Energy: 0.7860036881271527
Energy: 0.7847394571324583
Energy: 0.7870446990520857
Energy: 0.7975666251048648
Energy: 0.7176795843183736
Energy: 0.7390010783567792
Energy: 0.7066825254850173
Energy: 0.7174727941903043
Energy: 0.6950791658063644
Energy: 0.70717771495323
Energy: 0.7234141984312251
Energy: 0.8412867826925207
Energy: 0.7273967998397286
Energy: 0.725627785182928
Energy: 0.8416150754500342
Energy: 0.7047238008913411
Energy: 0.7090962908976584
Energy: 0.84381919662355
Energy: 0.7861269536054029
Energy: 0.7303272859060332
Energy: 0.8433399574285388
Energy: 0.7967154615521422
Energy: 0.7477497204808747
Energy: 0.6892624571103746
Energy: 0.7305999645564417
Energy: 0.7265441895676198
Energy: 0.7005386888955131
Energy: 0.7094248411164498
Energy: 0.6889078305409493
Energy: 0.8082176813513915
Energy: 0.7193062566075626
Energy: 0.729694188161279
Energy: 0.8075999345859294
Energy: 0.7365777948461923
Energy: 0.7200308595932524
Energy: 0.8081168811434565
Energy: 0.724193749561229
Energy: 0.7213955664666498
Energy: 0.8084853565353557
Energy: 0.7136360353385672
Energy: 0.7186007427655791
Energy: 0.7137683869620365
Energy: 0.7089340967007598
Energy: 0.7246578301997646
Energy: 0.719447788029783
Energy: 0.7223079166699737
Energy: 0.7230628224513875
Energy: 0.7145413593347764
Energy: 0.7881023712172227
Energy: 0.7147883947890247
Energy: 0.720139383217586
Energy: 0.7907225841408178
Energy: 0.7067211994546018
Energy: 0.7040035889951293
Energy: 0.7076369006501264
Energy: 0.72757957825411
Energy: 0.715541798550667
Energy: 0.6934912767004553
Energy: 0.7262867055372136
Energy: 0.7908981238752466
Energy: 0.7126964023910264
Energy: 0.7269814720718225
Energy: 0.7905696788498031
Energy: 0.7218423960800755
Energy: 0.7385953400278024
Energy: 0.7882875367989052
Energy: 0.7258258628731327
Energy: 0.7163975501779195
Energy: 0.7882763904922803
Energy: 0.722633490654523
Energy: 0.702772452610659
Energy: 0.6935296496561193
Energy: 0.7030594337423477
Energy: 0.719278329371351
Energy: 0.7055731722579491
Energy: 0.705085035532476
Energy: 0.6832003718616585
Energy: 0.7125234611338425
Energy: 0.8084243124605995
Energy: 0.7226215693498677
Energy: 0.7115047526033617
Energy: 0.814193522282621
Energy: 0.7236554769700321
Energy: 0.7246034199618676
Energy: 0.7126393915515489
Energy: 0.7113455577249622
Energy: 0.7244499235607207
Energy: 0.7131477171572367
Energy: 0.7336740328340632
Energy: 0.8313565520486272
Energy: 0.7074657546716627
Energy: 0.707966374555098
Energy: 0.7837794282677023
Energy: 0.7101418020035636
Energy: 0.7063046289641266
Energy: 0.8339175542982342
Energy: 0.7878895912235462
Energy: 0.7837524709143785
Energy: 0.7888787304491285
Energy: 0.7975093929208517
Energy: 0.7378185744887177
Energy: 0.6717798864981164
Energy: 0.8329588982268021
Energy: 0.70482799801854
Energy: 0.690166996283254
Energy: 0.834858794461846
Energy: 0.6829989800012727
Energy: 0.8381762661751052
Energy: 0.7861264770474915
Energy: 0.7823513685988719
Energy: 0.8385793319632874
Energy: 0.7976526127887729
Energy: 0.7494549706857453
Energy: 0.7477145787530514
Energy: 0.7068598013121452
Energy: 0.7253383607946198
Energy: 0.6953190266236711
Energy: 0.7060925346762175
Energy: 0.7224502219719123
Energy: 0.6948382295872756
Energy: 0.7040901773616521
Energy: 0.7164634922201372
Energy: 0.6941301753879575
Energy: 0.7279460540534715
Energy: 0.7027281552760373
Energy: 0.8438153490102457
Energy: 0.7869784189277638
Energy: 0.7259282506165847
Energy: 0.8437611824163493
Energy: 0.7980382003774682
Energy: 0.7321097861595439
Energy: 1.2735352106912035
Energy: 0.7191581447366892
Energy: 0.7229531274564375
Energy: 0.6975854733939525
Energy: 0.9776836691501823
Energy: 0.6830511793612689
Energy: 0.8082471352419652
Energy: 0.718721213502272
Energy: 0.7179495655783773
Energy: 0.8080431613817994
Energy: 0.733767793103288
Energy: 0.7272330162081292
Energy: 0.8090140263953619
Energy: 0.7223375168277135
Energy: 0.7199427305371633
Energy: 0.8101185502123294
Energy: 0.7134414478699733
Energy: 0.7208591694442111
Energy: 0.7121562708010905
Energy: 0.7102541785536483
Energy: 0.7231044587571012
Energy: 0.7184018701559557
Energy: 0.7122749437854813
Energy: 0.7220736557523947
Energy: 0.7149698044773456
Energy: 0.7934696233336805
Energy: 0.7176259964097385
Energy: 0.7213845230551628
Energy: 0.7904367523403217
Energy: 0.7254361473063007
Energy: 0.7037027645849082
Energy: 0.6986368917964237
Energy: 0.7078105610281341
Energy: 0.7171327830130717
Energy: 0.7778880900506664
Energy: 0.7078605521349555
Energy: 0.7908792198391599
Energy: 0.7052671496494646
Energy: 0.723952071715995
Energy: 0.7904347822356196
Energy: 0.710991941058291
Energy: 0.7386500813798708
Energy: 0.7884799091495177
Energy: 0.7177529758013313
Energy: 0.7239378574091504
Energy: 0.7895390404070182
Energy: 0.7228969599112975
Energy: 0.7162006330787706
Energy: 0.6939840586869883
Energy: 0.7184457035309713
Energy: 0.7203050309568934
Energy: 0.680955226036673
Energy: 0.7044621770464663
Energy: 0.7253869620430822
Energy: 0.7119175853620608
Energy: 0.8082221632754487
Energy: 0.7209540365986682
Energy: 0.7335907242860241
Energy: 0.8087446940442156
Energy: 0.7232664773577628
Energy: 0.7262779855118642
Energy: 0.6987879941259041
Energy: 0.7378687311276692
Energy: 0.7272118478880504
Energy: 0.7136973699115126
Energy: 0.7351060291751165
Energy: 0.8297139730936804
Energy: 0.7077326055157729
Energy: 0.708760033371744
Energy: 0.7826060349779553
Energy: 0.6685860810869166
Energy: 0.7084451287294813
Energy: 0.8368813258962325
Energy: 0.7897092095162032
Energy: 0.7539041466249564
Energy: 0.7941258859323665
Energy: 0.7973411869600217
Energy: 0.7536740310953465
Energy: 0.6729939031267632
Energy: 0.8334992447284004
Energy: 0.727451411745396
Energy: 0.7002462371520417
Energy: 0.8327888425185302
Energy: 0.6811428464962436

minimum gb energy = 0.6685860810869166 eV
minimum distance =  2.3675529367284 Angstroms
sigma value = 41


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

Energy: 1.3225844404664708
Energy: 0.9282682821708998
Energy: 1.2536533700843084
Energy: 0.8609308109137808
Energy: 0.8956894543040724
Energy: 0.8653535935926193
Energy: 1.019614686157991
Energy: 0.9199715171312198
Energy: 0.9200343584394051
Energy: 0.9199016979179974
Energy: 0.945667404661428
Energy: 0.8581361246634461
Energy: 1.0028898945956526
Energy: 0.8477802672737037
Energy: 0.8461338410354439
Energy: 0.9037387590097253
Energy: 0.8504602758462976
Energy: 0.8460524031674749
Energy: 0.9011418562796359
Energy: 0.847049850835591
Energy: 0.8461517231521206
Energy: 0.9038121145073118
Energy: 0.8864620648969272
Energy: 0.9014764201829166
Energy: 0.9100022896894046
Energy: 0.9545767405945731
Energy: 0.8581615545817359
Energy: 0.9102904972565555
Energy: 0.9443622133370744
Energy: 0.8587514146649121
Energy: 0.8754566218186715
Energy: 0.8578189643627641
Energy: 0.8565429303484106
Energy: 0.8646594659919928
Energy: 0.8871874609548311
Energy: 0.8573935898101515
Energy: 0.9673180186020481
Energy: 0.8992056180090346
Energy: 0.8608384436308506
Energy: 0.9645486221962404
Energy: 0.9046470137763339
Energy: 0.8760449396155081
Energy: 0.9700063422287626
Energy: 0.8571543878843965
Energy: 0.8581923225366539
Energy: 0.9712563619103203
Energy: 0.8571031910358408
Energy: 0.8591974953113218
Energy: 0.8744454695450585
Energy: 0.8653953264066717
Energy: 0.856471984276833
Energy: 0.8710198296857611
Energy: 0.8572117792159202
Energy: 0.8558685484689061
Energy: 0.8886204548768731
Energy: 0.9212218086106145
Energy: 0.8601936333981256
Energy: 0.8667842281077067
Energy: 0.9652302111335742
Energy: 0.8550959281190094
Energy: 0.8904545349020158
Energy: 0.8816227772822279
Energy: 0.985616833333677
Energy: 0.8904573754599225
Energy: 0.8983566452253094
Energy: 0.9837712737332884
Energy: 1.0404251536850317
Energy: 0.8537399172729516
Energy: 0.851905747046123
Energy: 0.9209521917091155
Energy: 0.8535198472571839
Energy: 0.8525006278439956
Energy: 1.0416991663530342
Energy: 0.9540331700638438
Energy: 0.8736871813506955
Energy: 0.9437966742026827
Energy: 0.9469807916755238
Energy: 0.8580094248329838
Energy: 0.8701349507049603
Energy: 0.9185755739841092
Energy: 0.8512652120960228
Energy: 0.8361603109084925
Energy: 0.9435376165635841
Energy: 0.8520498132787384

minimum gb energy = 0.8361603109084925 eV
minimum distance =  2.35625914075466 Angstroms
sigma value = 11


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

Energy: 1.3385751975891629
Energy: 1.1850697996855384
Energy: 1.0629197736757938
Energy: 1.0602675838142894
Energy: 1.108215335327185
Energy: 1.036863188103765
Energy: 1.2424509730133613
Energy: 1.03931556670404
Energy: 1.0196089391100722
Energy: 1.0138801515748141
Energy: 1.0257095854196763
Energy: 1.0138462905680699
Energy: 1.219110878528532
Energy: 0.9995357682972746
Energy: 0.9979693939285357
Energy: 1.0196885233559518
Energy: 0.9981373808063224
Energy: 1.019290569218149
Energy: 1.0354087512720411
Energy: 0.9904380608255323
Energy: 1.0101017815577824
Energy: 1.0127511239558658
Energy: 0.9916447477092114
Energy: 1.009601531615769
Energy: 1.0370850665470766
Energy: 1.0452413925182127
Energy: 1.0159071094303682
Energy: 1.0391543144490267
Energy: 1.0448173880916394
Energy: 0.9975040188524468
Energy: 1.0351467146545195
Energy: 0.9956318315506505
Energy: 0.9992738263906766
Energy: 1.0183781302714123
Energy: 1.0415781675613014
Energy: 1.0169848148630125
Energy: 1.0507590922316552
Energy: 1.0111765670314619
Energy: 1.0073089618816793
Energy: 1.0516285170240656
Energy: 0.9955363740895634
Energy: 1.0036401320647128
Energy: 1.0866546655218754
Energy: 0.9977355699764763
Energy: 0.9986270909538725
Energy: 1.0550854859930239
Energy: 1.0145347822733775
Energy: 0.9990735084128032
Energy: 1.04682797317608
Energy: 1.0109830681550527
Energy: 1.0082396252933719
Energy: 1.0679097930188197
Energy: 1.0110986260737354
Energy: 0.9950590938309222
Energy: 1.0470330133319392
Energy: 1.0203770447918878
Energy: 1.01903838085165
Energy: 0.9988200291405103
Energy: 1.0203955914623655
Energy: 1.0155393914159543
Energy: 1.0707356861883022
Energy: 1.0157882796212734
Energy: 1.0129293581009402
Energy: 1.0229068152204894
Energy: 1.0039057712020023
Energy: 1.0249997090841865
Energy: 1.0332075462970238
Energy: 1.0146013684532527
Energy: 1.0137196799791208
Energy: 1.0344424961523775
Energy: 1.0146089315898672
Energy: 1.0123844851244213
Energy: 1.037754536351481
Energy: 0.994850801307377
Energy: 0.9938836630071529
Energy: 1.0228066527653117
Energy: 1.0118654449657345
Energy: 0.9925310699454615
Energy: 1.0468720662182016
Energy: 1.0170700840957685
Energy: 1.0055969449946736
Energy: 1.0432194966268413
Energy: 1.0302684110084763
Energy: 1.0140392465410244
Energy: 1.040551616001188
Energy: 0.9935201192908149
Energy: 0.9928609422437888
Energy: 1.0427997240872413
Energy: 0.9940266402790163
Energy: 0.9931787524765266
Energy: 1.0608639673969331
Energy: 0.9937399871037621
Energy: 0.9930541699191562
Energy: 1.0621658456489673
Energy: 0.995603646007913
Energy: 0.9937002881206374
Energy: 1.0541194093310762
Energy: 0.993359627793501
Energy: 0.9920836115962978
Energy: 1.0577873974949277
Energy: 0.9944285661745111
Energy: 0.9923478825881981
Energy: 1.0438083756379057
Energy: 1.029977076861961
Energy: 1.0159681661619924
Energy: 1.0338394118243706
Energy: 1.0366136621468232
Energy: 1.0244610124224833
Energy: 1.0441573022238824
Energy: 1.0156430583602778
Energy: 0.9935031870417205
Energy: 1.0426388252108818
Energy: 1.0142314656118006
Energy: 0.9925771147917122
Energy: 1.0347496816123347
Energy: 1.01278109293673
Energy: 1.0151278658308962
Energy: 1.0213353407727073
Energy: 0.9913585999452622
Energy: 1.018902382555049
Energy: 1.1487337063508554
Energy: 0.9913777140091294
Energy: 1.023292432384033
Energy: 1.0311016376283944
Energy: 1.0271662023807513
Energy: 1.0422657548790895
Energy: 1.119723189996304
Energy: 1.026368188209994
Energy: 1.0368700430398552
Energy: 1.0442146407165493
Energy: 1.0221800681653883
Energy: 1.010592442869762
Energy: 1.0407580304146236
Energy: 1.028530562680333
Energy: 1.0160827964052626
Energy: 1.036437958756733
Energy: 1.0359851470763803
Energy: 1.0157532670139506
Energy: 1.1099440127626425
Energy: 1.0232069375041788
Energy: 0.9916794793537459
Energy: 1.0180680297127045
Energy: 1.0152813947415142
Energy: 0.9933671902137244
Energy: 1.1317565611351428
Energy: 1.0241645281992284
Energy: 1.027222827438039
Energy: 1.060624663879372
Energy: 1.0121439344824865
Energy: 1.0165090180036673
Energy: 1.0401057047907387
Energy: 0.9936493279766742
Energy: 0.994571111448445
Energy: 0.9942903921486148
Energy: 1.0060795910550722
Energy: 0.9930966645288015
Energy: 1.039577830160769
Energy: 1.0626669619710574
Energy: 1.0117064656769732
Energy: 0.9973770177987206
Energy: 1.0618511151757601
Energy: 0.9928133245814558
Energy: 1.0374781367956347
Energy: 0.9940240261276814
Energy: 0.9936000674799
Energy: 1.0077368931364816
Energy: 1.0406923904169103
Energy: 0.9927910293115754
Energy: 1.184386142365646
Energy: 1.0125914854680602
Energy: 1.0117950715836195
Energy: 1.0451787613618302
Energy: 1.0286876642023461
Energy: 1.0128924221682227
Energy: 1.2372620756884394
Energy: 1.041407928381058
Energy: 0.9918545211792259
Energy: 1.0130296025687195
Energy: 1.0372543759854513
Energy: 0.9941411996342565
Energy: 1.0182766737890672
Energy: 1.052909318033692
Energy: 1.0131638558994975
Energy: 1.0194563481507701
Energy: 1.0520105383807332
Energy: 1.013269858627009

minimum gb energy = 0.9904380608255323 eV
minimum distance =  2.33682076764111 Angstroms
sigma value = 57


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

Energy: 1.4632826670645311
Energy: 1.6100346959997984
Energy: 1.179780647449096
Energy: 1.2708029621365071
Energy: 1.608835131299859
Energy: 1.1798272257584308
Energy: 1.4138748815304372
Energy: 1.1108120531531733
Energy: 1.1115305889925757
Energy: 1.121693648672378
Energy: 1.1110305241881218
Energy: 1.0344687379810198
Energy: 1.2501378020663565
Energy: 1.098266746324104
Energy: 1.1014498506328119
Energy: 1.1977579328355106
Energy: 1.1166841188326284
Energy: 1.1991039327437918
Energy: 1.1271584019826262
Energy: 1.0342833492844015
Energy: 1.1284817247865495
Energy: 1.1244971899475926
Energy: 1.1098815903677017
Energy: 1.1182456640178786
Energy: 1.1225049126495343
Energy: 1.1744070701987326
Energy: 1.1698125440765248
Energy: 1.1190845352876257
Energy: 1.171786051030114
Energy: 1.0339232039176112
Energy: 1.1279385664089858
Energy: 1.1840150982283144
Energy: 1.1043371499059715
Energy: 1.131505806312633
Energy: 1.1426329742381751
Energy: 1.104865582237615
Energy: 1.2006617721702777
Energy: 1.0280809732449145
Energy: 1.0440172746588636
Energy: 1.2014770131834374
Energy: 1.040871809350021
Energy: 1.1162856998552908
Energy: 1.2348991112609156
Energy: 1.0376849221004059
Energy: 1.0347045223142606
Energy: 1.1124539641550986
Energy: 1.1448275724512955
Energy: 1.0345172202739215
Energy: 1.2000089053335121
Energy: 1.1228577757708984
Energy: 1.1062453664680267
Energy: 1.191046571930589
Energy: 1.1194954149258352
Energy: 1.1783043354472058
Energy: 1.1992504792260328
Energy: 1.1716094520800702
Energy: 1.1055848433431317
Energy: 1.1911811624882676
Energy: 1.169662778153668
Energy: 1.105161928639411
Energy: 1.258191924131549
Energy: 1.0343490992164681
Energy: 1.0372495549720024
Energy: 1.1208287106268378
Energy: 1.0344873278414266
Energy: 1.1197711317798784
Energy: 1.233668312215239
Energy: 1.0982102081995089
Energy: 1.098295005999451
Energy: 1.2286851469319626
Energy: 1.1098063923030017
Energy: 1.1847486569164187
Energy: 1.1221381205317806
Energy: 1.1099957696213762
Energy: 1.0347695040131386
Energy: 1.119100408379331
Energy: 1.1107653851342432
Energy: 1.0335277585935576
Energy: 1.1297749158844532
Energy: 1.1735562082954447
Energy: 1.1716587407650265
Energy: 1.12229925053612
Energy: 1.172023272349567
Energy: 1.1160034041031601
Energy: 1.1192624662242627
Energy: 1.0329964981336566
Energy: 1.0338452408695518
Energy: 1.117956173375928
Energy: 1.0448153060925058
Energy: 1.03317493800403
Energy: 1.1994650240934213
Energy: 1.032986374785671
Energy: 1.0302238579690037
Energy: 1.1691087381794985
Energy: 1.0447051651298462
Energy: 1.107855072258723
Energy: 1.2054401233811907
Energy: 1.1106965123583332
Energy: 1.1116700438032814
Energy: 1.1081213799887897
Energy: 1.120601602857957
Energy: 1.0351113302259876

minimum gb energy = 1.0280809732449145 eV
minimum distance =  2.34850669663404 Angstroms
sigma value = 9


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

Energy: 1.694185859836615
Energy: 1.164991084979336
Energy: 1.108709241602781
Energy: 1.2077723065876096
Energy: 1.1652673336358133
Energy: 1.108400434195713
Energy: 1.1644491724434916
Energy: 1.1858024594187537
Energy: 1.2008592092744903
Energy: 1.1318904589657794
Energy: 1.192070695195225
Energy: 1.1538604702342845
Energy: 1.2709737935175947
Energy: 1.1339972382702252
Energy: 1.1211296657443972
Energy: 1.1125797311686993
Energy: 1.150114220966842
Energy: 1.1211404307468604
Energy: 1.1607548707697244
Energy: 1.1473277285118204
Energy: 1.1287539625747312
Energy: 1.1573007410669447
Energy: 1.143772082197434
Energy: 1.151465123615186
Energy: 1.1419535743525628
Energy: 1.0805829068925705
Energy: 1.0796601398230266
Energy: 1.1365817015938209
Energy: 1.1548741903227773
Energy: 1.1390297917259875
Energy: 1.1383988280780255
Energy: 1.1371298629321236
Energy: 1.140075277010092
Energy: 1.1312469904519924
Energy: 1.1223078834357783
Energy: 1.1373078173730724
Energy: 1.1704618278903958
Energy: 1.1483245238936044
Energy: 1.0887881924263123
Energy: 1.17015512967908
Energy: 1.145086801551548
Energy: 1.0888350434845946
Energy: 1.2606773758271164
Energy: 1.143012904547046
Energy: 1.1416701869526198
Energy: 1.1323038988907101
Energy: 1.1266610745488457
Energy: 1.1245644431442399
Energy: 1.243328100851851
Energy: 1.1298082122446373
Energy: 1.130855366470822
Energy: 1.1370152412171484
Energy: 1.1323742510677082
Energy: 1.1235276297841434
Energy: 1.2551430665206578
Energy: 1.1421383492649761
Energy: 1.1417632735651897
Energy: 1.146080181689846
Energy: 1.173566149694982
Energy: 1.1468132238572548
Energy: 1.172378912003319
Energy: 1.103234034596145
Energy: 1.0971476252522119
Energy: 1.171382598950348
Energy: 1.1721849914548348
Energy: 1.0969253188392443
Energy: 1.1927683263359818
Energy: 1.1502526894779237
Energy: 1.1140572881495239
Energy: 1.1624110452537684
Energy: 1.1363784578537581
Energy: 1.0839681258704887
Energy: 1.2558053754727623
Energy: 1.1095439753451128
Energy: 1.1077927028028325
Energy: 1.1491554209843045
Energy: 1.1669511355573947
Energy: 1.169295395739179
Energy: 1.2610911882718308
Energy: 1.1303787219070633
Energy: 1.1263426884293786
Energy: 1.1478730499451546
Energy: 1.1363626641113596
Energy: 1.1286633174529528
Energy: 1.2286381400763693
Energy: 1.1418901529228231
Energy: 1.131150157347777
Energy: 1.1980354638819926
Energy: 1.1419746217376783
Energy: 1.180296557561204
Energy: 1.1910023115969597
Energy: 1.104352196087494
Energy: 1.129120835854095
Energy: 1.1917536897687906
Energy: 1.1469789204000531
Energy: 1.1283951288503786
Energy: 1.2110230638131663
Energy: 1.177380025396366
Energy: 1.1679514671630185
Energy: 1.15049068409972
Energy: 1.1791027132279532
Energy: 1.1486059649236704
Energy: 1.2150647932493692
Energy: 1.1302369092688118
Energy: 1.1283667358667056
Energy: 1.1714599319929058
Energy: 1.138012066400518
Energy: 1.1262959177732554
Energy: 1.2050475822369626
Energy: 1.1525812688654042
Energy: 1.144130759045926
Energy: 1.1738019807938633
Energy: 1.149089162330342
Energy: 1.1633059759550415
Energy: 1.235508580344264
Energy: 1.1502495401605668
Energy: 1.1625958522360647
Energy: 1.1486184368949057
Energy: 1.1468165639208894
Energy: 1.1659576182528517
Energy: 1.2314784704610977
Energy: 1.1971269489966945
Energy: 1.1920874918648046
Energy: 1.1411976261060879
Energy: 1.1942873999546522
Energy: 1.1582573727245005

minimum gb energy = 1.0796601398230266 eV
minimum distance =  2.31200762033971 Angstroms
sigma value = 27


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

Energy: 1.356193333417238
Energy: 1.0703468058804793
Energy: 1.0769240772489457
Energy: 1.0773794629849605
Energy: 1.1179495295851514
Energy: 1.1413563002636966
Energy: 1.3560565480413809
Energy: 1.100860701115298
Energy: 1.1013985136393918
Energy: 1.0998994701044449
Energy: 1.0988564173469355
Energy: 1.0773572520566461
Energy: 1.2833495786977525
Energy: 1.2070292100606126
Energy: 1.1025037864290774
Energy: 1.0880538254140577
Energy: 1.0980170371669755
Energy: 1.2069183590664765
Energy: 1.2711383514068393
Energy: 1.1220194504723526
Energy: 1.1218576531089675
Energy: 1.2051952288778558
Energy: 1.1257452874710479
Energy: 1.1285997087954145
Energy: 1.0890548551775112
Energy: 1.1401753936531198
Energy: 1.1351671080337562
Energy: 1.091241294572943
Energy: 1.1524331345658725
Energy: 1.1378381540505964
Energy: 1.24097217160977
Energy: 1.1139350919653974
Energy: 1.1724374247544205
Energy: 1.1728994828624135
Energy: 1.1206818842842858
Energy: 1.1106143685646999
Energy: 1.3318577470441681
Energy: 1.0685913770882212
Energy: 1.0578524100048061
Energy: 1.1428581824551014
Energy: 1.0554146437654761
Energy: 1.0577460788261301
Energy: 1.3439828401531746
Energy: 1.056579918757891
Energy: 1.1806832225941692
Energy: 1.1592840466667709
Energy: 1.0571005313534032
Energy: 1.145607705137961
Energy: 1.39669333052763
Energy: 1.162675646852425
Energy: 1.150326610652784
Energy: 1.1635028047335314
Energy: 1.1437296474359648
Energy: 1.166145754876975
Energy: 1.3976487558311523
Energy: 1.1630190120065655
Energy: 1.171749348822586
Energy: 1.1623212438981438
Energy: 1.1603402394569395
Energy: 1.1686808575372494
Energy: 1.2789661624594966
Energy: 1.1408810500863473
Energy: 1.1461526419368702
Energy: 1.1590177274622468
Energy: 1.092286075973703
Energy: 1.1469912995013698
Energy: 1.2833271189052267
Energy: 1.174463499131571
Energy: 1.1724983075681776
Energy: 1.2386683883036083
Energy: 1.156597588046754
Energy: 1.1745404240945039
Energy: 1.05103964958549
Energy: 1.1364401015153707
Energy: 1.0910785515618315
Energy: 1.0516536414137714
Energy: 1.1341740239817302
Energy: 1.0854961753980965
Energy: 1.0507519797792246
Energy: 1.144181732509769
Energy: 1.1424082558832516
Energy: 1.0524199893117163
Energy: 1.1448379037409067
Energy: 1.0830917077592737
Energy: 1.2199986468521862
Energy: 1.1571300444048558
Energy: 1.1708533018607974
Energy: 1.1717947807757314
Energy: 1.1663490920058215
Energy: 1.1733827666941778
Energy: 1.2316404360198572
Energy: 1.164186947051856
Energy: 1.160031751872354
Energy: 1.1453940626435877
Energy: 1.1566309246151103
Energy: 1.1675371834957955
Energy: 1.0920928261774654
Energy: 1.1531964460738133
Energy: 1.1401460505679215
Energy: 1.0941979892868559
Energy: 1.1454340080790846
Energy: 1.1359880624487988
Energy: 1.2317274189490524
Energy: 1.176971699592368
Energy: 1.161843340161335
Energy: 1.1331949674245354
Energy: 1.2045300903291842
Energy: 1.1575191365879132
Energy: 1.195448352408437
Energy: 1.0761282959781417
Energy: 1.080849236944865
Energy: 1.1407823366449086
Energy: 1.0562521748636116
Energy: 1.085868400856291
Energy: 1.3338890794118219
Energy: 1.0758874129093174
Energy: 1.0812098164912738
Energy: 1.096180222480961
Energy: 1.0557503179063383
Energy: 1.0864207622062605
Energy: 1.3882897203954656
Energy: 1.1607748639878597
Energy: 1.168105943646651
Energy: 1.1633173062670887
Energy: 1.1503920023509688
Energy: 1.1663375910103948
Energy: 1.094799926567846
Energy: 1.1052610940686438
Energy: 1.160758250282552
Energy: 1.0954903358236168
Energy: 1.1136390419372204
Energy: 1.1650125986722055
Energy: 1.3940338756764898
Energy: 1.106235739943917
Energy: 1.0776405990117994
Energy: 1.0960927024052032
Energy: 1.0836910665467105
Energy: 1.0859478971013174
Energy: 1.3395100201931696
Energy: 1.2185749621988184
Energy: 1.1081500295877758
Energy: 1.1550300727116842
Energy: 1.1366064556153832
Energy: 1.2247507181128041
Energy: 1.1887799324035255
Energy: 1.0826081905228682
Energy: 1.0903427766396527
Energy: 1.0526791051694002
Energy: 1.0779317584087347
Energy: 1.1181272219722511

minimum gb energy = 1.0507519797792246 eV
minimum distance =  2.29709580992957 Angstroms
sigma value = 19


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

Energy: 1.7640034155295914
Energy: 1.1057485580261235
Energy: 1.0585211386551452
Energy: 1.6982680262265508
Energy: 1.0572509378891288
Energy: 1.0577386834020348
Energy: 1.3184891823443083
Energy: 1.0875919484542278
Energy: 1.034810945260735
Energy: 1.0617588298156906
Energy: 1.084167409891141
Energy: 1.0577011350773122
Energy: 1.12339275957495
Energy: 1.0604977256524
Energy: 1.0517758678404303
Energy: 1.0458187357056077
Energy: 1.0661599870059273
Energy: 1.0517025763461307
Energy: 1.1039159012831403
Energy: 1.030272282767411
Energy: 1.0873916836518092
Energy: 1.0783315347764104
Energy: 1.0303710625726479
Energy: 1.0499776828871357
Energy: 1.0856660462914567
Energy: 1.0404511865478323
Energy: 1.0418995254176755
Energy: 1.0056700970867152
Energy: 1.041812473490149
Energy: 1.0346665047922317
Energy: 1.107411935060935
Energy: 1.057427294499688
Energy: 1.0827976781492483
Energy: 1.0665908264430017
Energy: 1.029243079585314
Energy: 1.0904310546829274
Energy: 1.1234894934510404
Energy: 1.0555545970331943
Energy: 1.055696290351893
Energy: 1.0841302878963226
Energy: 1.0676958674778152
Energy: 1.054135904526855
Energy: 1.0957371515067074
Energy: 1.0472476014133725
Energy: 1.0477699876397795
Energy: 1.0963915174328547
Energy: 1.0484838237852734
Energy: 1.0876098868982174
Energy: 1.0691595543656998
Energy: 1.0604307768427645
Energy: 1.059086643077266
Energy: 1.066323001502442
Energy: 1.0433971708459908
Energy: 1.0695965170085275
Energy: 1.069136518768943
Energy: 1.0548655428551241
Energy: 1.0756124379606722
Energy: 1.066061749945763
Energy: 1.0731549928621704
Energy: 1.0754510308586123
Energy: 1.091281021657072
Energy: 1.0306177582392435
Energy: 1.0392124843970452
Energy: 1.0922578053990308
Energy: 1.0315942094741979
Energy: 1.03162754031277
Energy: 1.1833193526519763
Energy: 1.0626064799423531
Energy: 1.060946108780055
Energy: 1.0474147665518214
Energy: 1.0621101260972878
Energy: 1.0521542607431391
Energy: 1.1504695223267853
Energy: 1.065055901299101
Energy: 1.0603994746186272
Energy: 1.0664599260862702
Energy: 1.0527919881084205
Energy: 1.0515814077804724
Energy: 1.157232432036115
Energy: 1.0639536565025924
Energy: 1.080970127201684
Energy: 1.095748286062881
Energy: 1.0594155038825668
Energy: 1.0684252914935435
Energy: 1.116511994928189
Energy: 1.0740094797398485
Energy: 1.0747680326897504
Energy: 1.0401316300092462
Energy: 1.066039613842412
Energy: 1.0769595999601165
Energy: 1.1595104374260468
Energy: 1.0530481686269093
Energy: 1.049745202528548
Energy: 1.0497159650130796
Energy: 1.0500120604602876
Energy: 1.0495466887970812
Energy: 1.1200507597531417
Energy: 1.0592108348357916
Energy: 1.063523883557455
Energy: 1.0480545065796374
Energy: 1.073797101502326
Energy: 1.0580012467437863
Energy: 1.1416471000439292
Energy: 1.0587052786434883
Energy: 1.0612909834244797
Energy: 1.0734696967532105
Energy: 1.058754673947446
Energy: 1.0642867921951547
Energy: 1.1563584893460102
Energy: 1.0709043775825604
Energy: 1.0541858507566133
Energy: 1.0620550505805733
Energy: 1.0707973127406798
Energy: 1.0578200281962977
Energy: 1.118827121052097
Energy: 1.0659251282303208
Energy: 1.0539229332127913
Energy: 1.1167419887943464
Energy: 1.0604124767812968
Energy: 1.0578860996012303
Energy: 1.048076908499918
Energy: 1.0345052599257447
Energy: 1.0524192061096826
Energy: 1.0494901798583158
Energy: 1.053586666860643
Energy: 1.074343847304457
Energy: 1.0458430039863726
Energy: 1.0328489242474512
Energy: 1.0360414245998055
Energy: 1.0481407071776856
Energy: 1.03717109121331
Energy: 1.0522515319208736
Energy: 1.0977661706765849
Energy: 1.054815989401768
Energy: 1.0554795540392274
Energy: 1.0871168026649307
Energy: 1.0838374704548897
Energy: 1.061942632002995
Energy: 1.1293977706009517
Energy: 1.0684082220702877
Energy: 1.03191232587476
Energy: 1.0710179202257892
Energy: 1.059618197334714
Energy: 1.060433539815519
Energy: 1.1543550342151916
Energy: 1.046570995252086
Energy: 1.0483910061741923
Energy: 1.0682388070923234
Energy: 1.046321371252903
Energy: 1.0537716315209122
Energy: 1.1049467063954281
Energy: 1.0468322149897031
Energy: 1.0489953723625975
Energy: 1.0683782531125179
Energy: 1.0892176493919046
Energy: 1.0522384998344831
Energy: 1.1308876326802504
Energy: 1.075684585241345
Energy: 1.0718170273943486
Energy: 1.0709822159971447
Energy: 1.0679631743064515
Energy: 1.0734622022041511
Energy: 1.114436688610598
Energy: 1.030964280411806
Energy: 1.0889099713476884
Energy: 1.051630900892624
Energy: 1.0691822575635948
Energy: 1.091572650166454
Energy: 1.1395431130150429
Energy: 1.0344477696820507
Energy: 1.0668691094407348
Energy: 1.0777276365656419
Energy: 1.0872018825096088
Energy: 1.059884577897017

minimum gb energy = 1.0056700970867152 eV
minimum distance =  2.31288921760651 Angstroms
sigma value = 101


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

Energy: 1.185936043757479
Energy: 1.0346946743910503
Energy: 1.07409318869368
Energy: 0.9778416837450241
Energy: 1.0385439719348022
Energy: 0.9821242702380598
Energy: 1.0889651804195886
Energy: 1.0477870478451916
Energy: 1.0561474363877132
Energy: 0.9971910688225554
Energy: 1.047554545709776
Energy: 0.9922782227889315
Energy: 1.0891942701946693
Energy: 1.0158595469986298
Energy: 1.0146126668415734
Energy: 0.9959557621608437
Energy: 1.0182592088630191
Energy: 1.0124596628240514
Energy: 1.080459276086834
Energy: 1.0113787494190323
Energy: 1.0144414059983242
Energy: 1.0498542489562925
Energy: 1.0220422254115937
Energy: 0.9834559216365202
Energy: 1.0369923922692315
Energy: 0.997039468665481
Energy: 1.0014645226856507
Energy: 1.0664245472073466
Energy: 0.995238512929914
Energy: 1.0334787474270508
Energy: 1.0783917186852585
Energy: 0.9836927458493998
Energy: 0.9970802630547072
Energy: 1.05222124126708
Energy: 0.9833735192393432
Energy: 1.011790201233343
Energy: 1.0775247973343656
Energy: 0.9833158153710538
Energy: 0.9822299950225027
Energy: 1.0273390772479072
Energy: 0.9803055644484994
Energy: 0.9840589085937885
Energy: 1.0148636249015326
Energy: 1.0157823606886391
Energy: 1.000081471600954
Energy: 1.0242768893788299
Energy: 0.9976997257878311
Energy: 1.0239197833211398
Energy: 1.0140003937097868
Energy: 1.016971129418052
Energy: 1.0159630145827658
Energy: 1.020831332327389
Energy: 0.9921168511584253
Energy: 1.0361006801393593
Energy: 1.0171761125591923
Energy: 0.9862541436606762
Energy: 1.0147097772566798
Energy: 1.0158938961993096
Energy: 1.0160499994313037
Energy: 1.005729440605128
Energy: 1.1118233908372015
Energy: 0.9628160871180459
Energy: 0.9605862923616042
Energy: 1.0893128050073861
Energy: 0.9565153612363007
Energy: 0.9574211760805329
Energy: 1.1093878998436824
Energy: 1.008867321316363
Energy: 0.9900898599089958
Energy: 1.0166129700707394
Energy: 1.0072764891961443
Energy: 1.0195048250273449
Energy: 1.0746463841117861
Energy: 1.0172318095538115
Energy: 1.0167308559051547
Energy: 1.014558793939519
Energy: 1.0185181012159596
Energy: 1.0060485356455582
Energy: 1.0741389188640071
Energy: 0.9996230518859235
Energy: 1.0193357980871693
Energy: 1.0174542091927437
Energy: 1.034561114376751
Energy: 1.0203541061796046
Energy: 1.0895299682258255
Energy: 1.01375383378671
Energy: 1.0545459998187299
Energy: 0.9868330670022356
Energy: 1.0082586153906572
Energy: 1.0378806284787416
Energy: 1.088418457166661
Energy: 1.0208813412167668
Energy: 1.0265745483573538
Energy: 0.982069622857886
Energy: 1.018760072743422
Energy: 1.018300702890899
Energy: 1.1038260898835972
Energy: 1.0045381490305028
Energy: 1.0382855794075119
Energy: 0.988517269761736
Energy: 1.0063918402457934
Energy: 0.9593553440454144
Energy: 1.090993107091908
Energy: 1.0589450501546842
Energy: 1.0607204643129429
Energy: 0.9568374545472721
Energy: 1.0586242322728634
Energy: 1.0471895104977815
Energy: 1.0884927542208356
Energy: 1.0101937066411686
Energy: 1.0147033305829294
Energy: 0.9949300316059573
Energy: 1.0218276149465677
Energy: 0.9881370900381568
Energy: 1.0556939239012546
Energy: 1.0288045924152205
Energy: 1.0141502827292044
Energy: 1.0344437024613466
Energy: 1.0216067662180082
Energy: 0.9893191137085279
Energy: 1.037072557261588
Energy: 0.9878099976966306
Energy: 0.988887935851894
Energy: 1.0349828266734467
Energy: 1.0907758269078167
Energy: 0.9989856658430015
Energy: 1.0771245751904357
Energy: 0.9836354950636119
Energy: 0.985183611547685
Energy: 1.0290689677575233
Energy: 0.9822671654282022
Energy: 1.0133530122656393
Energy: 1.0784803067592759
Energy: 1.000449571270109
Energy: 0.9966400154306587
Energy: 1.0529017136872991
Energy: 1.013941046270781
Energy: 0.9978880191517908
Energy: 1.0152183062435407
Energy: 0.9985310718130332
Energy: 1.018038791966616
Energy: 1.0237042512786627
Energy: 0.9910741433895554
Energy: 1.005822597923793
Energy: 1.0139119508915466
Energy: 1.0260056711594219
Energy: 1.015158606290535
Energy: 1.020449713571429
Energy: 1.0299562108388562
Energy: 1.0355165930506647
Energy: 1.0139092475645035
Energy: 1.0282574675266676
Energy: 1.0269141718281016
Energy: 1.0152778257703
Energy: 0.9877012302093606
Energy: 1.0354828471391726
Energy: 1.121577514295125
Energy: 0.9679074926200656
Energy: 0.9600734566252221
Energy: 1.1200313716468735
Energy: 1.0018486466287697
Energy: 0.9643812158068563
Energy: 1.1231062333131974
Energy: 1.0127525488161242
Energy: 0.9728338227493968
Energy: 1.0175303445270685
Energy: 1.0011037068601127
Energy: 1.0211317847262595
Energy: 1.0751872037685726
Energy: 1.0168346074001393
Energy: 1.0173154536566231
Energy: 1.0191319758191855
Energy: 1.0170651298090017
Energy: 1.0179728232836298
Energy: 1.0769147244534334
Energy: 1.017139030802995
Energy: 1.0167860758273009
Energy: 1.0175315813435648
Energy: 1.176795462315961
Energy: 1.0180775036439607
Energy: 1.0738038365890714
Energy: 1.0288105174411275
Energy: 1.0385809194764652
Energy: 0.9861983902207401
Energy: 1.0205907445425206
Energy: 1.0139991770031316
Energy: 1.1658643162202291
Energy: 1.0227806816148404
Energy: 1.0320511528478724
Energy: 0.9834893990595789
Energy: 1.0206912283234377
Energy: 1.0471670054512112
Energy: 1.1035743096962807
Energy: 1.0592476291533717
Energy: 1.0468085225420738
Energy: 0.9884856353224077
Energy: 1.1172552995422973
Energy: 1.0483455132075084

minimum gb energy = 0.9565153612363007 eV
minimum distance =  2.32433005986022 Angstroms
sigma value = 33


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

Energy: 0.018865769135080056
Energy: 1.1690269041382064
Energy: 0.019423823613980234
Energy: 0.021145637282353576
Energy: 1.1855777844056992
Energy: 0.0195169421731288
Energy: 0.5327473435575373
Energy: 0.12464984869515246
Energy: 0.12352762169164326
Energy: 0.12505046825604912
Energy: 0.12588252993123825
Energy: 0.12333387364107691
Energy: 1.6169485589417165
Energy: 1.1774638221680822
Energy: 1.1755310007655793
Energy: 0.12424337989937581
Energy: 1.179389713002219
Energy: 1.1718066229431732
Energy: 0.020015466978678634
Energy: 0.1246498486947037
Energy: 0.12352762169164326
Energy: 0.12505046825560037
Energy: 0.12588252993168703
Energy: 0.12333387364107691

minimum gb energy = 0.018865769135080056 eV
minimum distance =  2.50869077213692 Angstroms
sigma value = 1