Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.242432836622999
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.016431904904339413
Energy: 0.017086348574617164
Energy: 1.1234106434382687
Energy: 0.017086348574617164
Energy: 0.017086348574617164
Energy: 1.2128735611674382
Energy: 0.017086348574617164
Energy: 1.2128735611680665
Energy: 1.1234106434382687
Energy: 0.017086348574617164
Energy: 0.016431904904339413
Energy: 0.017086348574617164
Energy: 0.017086348574617164
Energy: 1.2128735611680665
Energy: 0.017086348574617164
Energy: 1.2128735611674382

minimum gb energy = 0.016431904904339413 eV
minimum distance =  2.48771668223466 Angstroms
sigma value = 1


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

Energy: 0.9933496049253255
Energy: 1.097607645622998
Energy: 0.8633942713822294
Energy: 1.097607645622998
Energy: 0.9569223909301252
Energy: 1.0880530381163651
Energy: 0.9569374726956067
Energy: 1.0880530381148406
Energy: 0.9005110653160489
Energy: 1.0848119414663127
Energy: 0.9476004858538836
Energy: 1.0848119414655502
Energy: 0.9371834745285461
Energy: 1.106300772995154
Energy: 0.9477867001768439
Energy: 1.106300772995154
Energy: 0.9418606038544869
Energy: 1.1006032862086992
Energy: 0.9465568118345249
Energy: 1.1006032862086992
Energy: 0.8945402932413772
Energy: 1.2905115961434617
Energy: 0.9269230880800762
Energy: 1.290511596144224
Energy: 0.9598994768634576
Energy: 1.0857891345137145
Energy: 0.8964190172939549
Energy: 1.08578913451219
Energy: 0.8170828555733216
Energy: 1.0988278578015633
Energy: 0.9166905705356125
Energy: 1.0988278578015633
Energy: 0.9495664585529764
Energy: 0.9531606710075377
Energy: 0.9537615757752073
Energy: 0.9531606710075377
Energy: 0.928994963786666
Energy: 1.085092530787648
Energy: 0.8017823246478076
Energy: 1.08509253078841
Energy: 0.9517965469801877
Energy: 1.0447265683981795
Energy: 0.9475295591843848
Energy: 1.044726568398942
Energy: 0.9001471327635037
Energy: 1.098707557415372
Energy: 0.9434026001713511
Energy: 1.0987075574161345
Energy: 0.9564971300073695
Energy: 1.0844054349722052
Energy: 0.9591209007520943
Energy: 1.0844054349714427
Energy: 0.9587456401287345
Energy: 1.0922309301462685
Energy: 0.9430531358393802
Energy: 1.0922309301455064
Energy: 0.9394210737991748
Energy: 1.0983369479183172
Energy: 0.9487331135072049
Energy: 1.0983369479183172
Energy: 0.949581854083108
Energy: 1.0976289994075117
Energy: 0.9483655391676389
Energy: 1.0976289994067494
Energy: 0.9478036342763428
Energy: 1.084773190106979
Energy: 0.8747014810802581
Energy: 1.084773190106979
Energy: 0.9568532638059499
Energy: 1.0840193814570023
Energy: 0.9564482469466804
Energy: 1.0840193814562398
Energy: 0.8576019656021251
Energy: 1.099244324309079
Energy: 0.9479253846323394
Energy: 1.099244324309079
Energy: 0.9616770022968012
Energy: 0.9526148776385023
Energy: 0.9494074867692051
Energy: 0.9526148776392647
Energy: 0.9261519466780679
Energy: 1.084655951852439
Energy: 0.8010444006530837
Energy: 1.084655951852439
Energy: 0.9480183941993011
Energy: 1.1065100359055149
Energy: 0.9406218328530933
Energy: 1.1065100359055149
Energy: 0.9486487643420752
Energy: 1.100879026875332
Energy: 0.8797312216911738
Energy: 1.1008790268745696
Energy: 0.9350981706375966
Energy: 1.0845196381255984
Energy: 0.8955710540541446
Energy: 1.084519638124836
Energy: 0.8964885082305776
Energy: 1.2939387155206103
Energy: 0.9595637196054836
Energy: 1.2939387155206103
Energy: 0.9377203138465763
Energy: 1.0991372755181201
Energy: 0.8806134757667784
Energy: 1.0991372755181201
Energy: 0.9392397979581649
Energy: 1.0888409505867915
Energy: 0.9473135386150017
Energy: 1.0888409505860293
Energy: 0.8701649768631351
Energy: 1.083934065741134
Energy: 0.9486454481026481
Energy: 1.0839340657403718
Energy: 0.9543167150389917
Energy: 1.094732169664222
Energy: 0.9517130380492133
Energy: 1.0947321696634595
Energy: 0.962568273731118
Energy: 1.0983417150551575
Energy: 0.9001434143081015
Energy: 1.0983417150551575
Energy: 0.9602799726869833
Energy: 1.0908538785036677
Energy: 0.9548791421882377
Energy: 1.090853878502143
Energy: 0.9403079758273968
Energy: 1.0857684288471026
Energy: 0.9587757692774221
Energy: 1.0857684288486273
Energy: 0.9410786854663591
Energy: 1.1065123840870223
Energy: 0.9500956400831099
Energy: 1.1065123840877846

minimum gb energy = 0.8010444006530837 eV
minimum distance =  2.28503844193867 Angstroms
sigma value = 1


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

Energy: 1.0637769186032933
Energy: 1.1840521732347835
Energy: 0.9600829832846784
Energy: 1.1840521732365217
Energy: 1.009622758098427
Energy: 1.1215204774478968
Energy: 1.0110507352015763
Energy: 1.121520477448766
Energy: 0.9278880555300243
Energy: 1.1830228337914315
Energy: 1.0055656162709328
Energy: 1.1830228337914315
Energy: 1.0039519193522566
Energy: 1.1035707814276117
Energy: 0.9530466810735587
Energy: 1.1035707814284812
Energy: 1.0035820511927622
Energy: 1.1610796555107066
Energy: 1.0106883951348309
Energy: 1.1610796555115757
Energy: 0.9890429396230526
Energy: 1.1610776621955206
Energy: 0.9761046071673148
Energy: 1.161077662198128
Energy: 1.0093990412797846
Energy: 1.014403270367354
Energy: 0.9804128535273949
Energy: 1.0144032703699617
Energy: 0.8538824231741358
Energy: 1.1833649970206477
Energy: 0.9596898930925339
Energy: 1.1833649970241245
Energy: 1.0037967478571015
Energy: 1.0255070502140449
Energy: 1.015483099950533
Energy: 1.025507050214914
Energy: 1.0066069782334455
Energy: 1.183333322789858
Energy: 0.8687906050490954
Energy: 1.183333322789858
Energy: 1.0091053791135758
Energy: 1.1048035649815908
Energy: 1.019851529293212
Energy: 1.1048035649798522
Energy: 0.9305037727716632
Energy: 1.172096591607072
Energy: 1.0142582567676266
Energy: 1.1720965916079413
Energy: 1.0212028994887874
Energy: 1.16156596804035
Energy: 1.0030752060855892
Energy: 1.1615659680412191
Energy: 1.0223020169801187
Energy: 1.1615522567979104
Energy: 0.9741429243238566
Energy: 1.161552256796172
Energy: 0.9303962651653952
Energy: 1.1719406942123125
Energy: 1.0048811976515226
Energy: 1.171940694209705
Energy: 1.0092199390641843
Energy: 1.1049501842644949
Energy: 1.0115477970138507
Energy: 1.1049501842653642
Energy: 1.006954214118015
Energy: 1.183591674063185
Energy: 0.8819515667108945
Energy: 1.1835916740605776
Energy: 1.003743942854346
Energy: 1.0255673618829995
Energy: 1.0156620175453386
Energy: 1.0255673618838685
Energy: 0.8536511071555962
Energy: 1.1835189563808384
Energy: 0.9600410448918532
Energy: 1.1835189563799693
Energy: 1.0091827850560586
Energy: 1.105572393559711
Energy: 0.9528545234537182
Energy: 1.1055723935571036
Energy: 0.9889196563126206
Energy: 1.1613383749587822
Energy: 0.9655912602048202
Energy: 1.1613383749587822
Energy: 1.0035768876779128
Energy: 1.1610547250193786
Energy: 1.0064323053878763
Energy: 1.161054725021986
Energy: 1.0029015316708223
Energy: 1.103459958829904
Energy: 0.9445993960653655
Energy: 1.1034599588307734
Energy: 0.927826466318812
Energy: 1.1830305118432405
Energy: 1.0051669384935873
Energy: 1.1830305118432405
Energy: 1.0095958593062464
Energy: 1.1210070460636503
Energy: 1.0110135402679987
Energy: 1.1210070460653885
Energy: 1.0637769186041626
Energy: 1.1840521732347835
Energy: 0.9368629810593464
Energy: 1.1840521732365217
Energy: 1.009622758098427
Energy: 1.1215204774478968
Energy: 1.0110507352024456
Energy: 1.121520477448766
Energy: 0.9278880555300243
Energy: 1.1830228337914315
Energy: 1.0209838654522252
Energy: 1.1830228337905624
Energy: 1.0039519193513873
Energy: 1.1035707814276117
Energy: 0.9552872451252458
Energy: 1.1035707814284812

minimum gb energy = 0.8536511071555962 eV
minimum distance =  2.27466658111976 Angstroms
sigma value = 25


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

Energy: 1.1312626830244288
Energy: 1.2584199047466431
Energy: 0.9795757728089007
Energy: 1.2584199047466431
Energy: 1.101241596906197
Energy: 1.1873479947620267
Energy: 1.089095799390606
Energy: 1.1873479947620267
Energy: 1.0012109814150174
Energy: 1.2896081711655785
Energy: 1.093300052921041
Energy: 1.2896081711655785
Energy: 1.0732678751770945
Energy: 1.213245227332282
Energy: 1.023839448480713
Energy: 1.2132452273312717
Energy: 1.0239088134619012
Energy: 1.257132290794599
Energy: 1.0151736854056725
Energy: 1.2571322907956093
Energy: 1.0793066791492472
Energy: 1.2901019713721642
Energy: 1.0997336107382012
Energy: 1.2901019713721642
Energy: 1.1024277208794242
Energy: 1.0983732609084187
Energy: 1.0585527121172773
Energy: 1.0983732609084187
Energy: 1.0203622668663026
Energy: 1.2623360731735012
Energy: 0.9484071705392633
Energy: 1.2623360731724904
Energy: 1.058574839353959
Energy: 1.1864252413342098
Energy: 1.102506638102357
Energy: 1.1864252413342098
Energy: 1.096906616065989
Energy: 1.2907747343447333
Energy: 1.0068022361385538
Energy: 1.2907747343457439
Energy: 1.078510410661324
Energy: 1.2581014875275909
Energy: 1.0895579284538557
Energy: 1.2581014875275909
Energy: 1.0301643591205283
Energy: 1.2597358693441454
Energy: 1.0888186109578817
Energy: 1.2597358693441454
Energy: 1.0926615668055215
Energy: 1.209845829745493
Energy: 1.0068893089776685
Energy: 1.209845829745493
Energy: 1.0554130949798557
Energy: 1.10017091386555
Energy: 1.1010277521538585
Energy: 1.1001709138665603
Energy: 0.9468278556005073
Energy: 1.2582820191961106
Energy: 0.9461212728479077
Energy: 1.2582820191951003
Energy: 1.090015047830187
Energy: 1.0985543143032168
Energy: 1.0252493055437037
Energy: 1.0985543143052376
Energy: 0.9161437128703807
Energy: 1.2895483232565328
Energy: 0.916404773827822
Energy: 1.2895483232565328
Energy: 1.0240544708611108
Energy: 1.2584745462103297
Energy: 1.0756162311642314
Energy: 1.2584745462103297
Energy: 1.0074170418933086
Energy: 1.2135688948145196
Energy: 1.02407591106724
Energy: 1.2135688948145196
Energy: 1.0983720087830704
Energy: 1.2896709292521582
Energy: 1.0937429993646368
Energy: 1.2896709292521582
Energy: 1.1078320615819681
Energy: 1.1866412918633238
Energy: 1.0910060830165307
Energy: 1.1866412918633238
Energy: 1.1292699225790948
Energy: 1.259966727162356
Energy: 1.049140322709896
Energy: 1.259966727162356
Energy: 1.1002439053496218
Energy: 1.193385097019082
Energy: 1.0888220412448189
Energy: 1.1933850970170612
Energy: 0.999326571924377
Energy: 1.2941288860312998
Energy: 1.0967651064960053
Energy: 1.2941288860323104
Energy: 1.089066227880888
Energy: 1.1135317969428984
Energy: 1.0235769625604056
Energy: 1.1135317969439087

minimum gb energy = 0.9161437128703807 eV
minimum distance =  2.27310179960554 Angstroms
sigma value = 9


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

Energy: 1.208175701519622
Energy: 1.328804360643743
Energy: 1.1020834137475821
Energy: 1.3288043606425377
Energy: 1.2021716246283105
Energy: 1.3108737223023825
Energy: 1.161868703618002
Energy: 1.3108737223035878
Energy: 1.084223295846731
Energy: 1.2268995635231297
Energy: 1.1688656210338768
Energy: 1.2268995635231297
Energy: 1.2168328024529975
Energy: 1.3728572618375605
Energy: 1.0848140184205077
Energy: 1.3728572618375605
Energy: 1.1990326262170161
Energy: 1.2995066962045767
Energy: 1.1067032316610355
Energy: 1.299506696205782
Energy: 1.0503070061380122
Energy: 1.211817434939918
Energy: 1.0872154865955042
Energy: 1.2118174349411233
Energy: 1.221783425146717
Energy: 1.0373580439464345
Energy: 1.0414184675481244
Energy: 1.0373580439464345
Energy: 1.0149979905324171
Energy: 1.2121621816271053
Energy: 1.0964930195447025
Energy: 1.2121621816271053
Energy: 1.215740406656527
Energy: 1.3000319226357917
Energy: 1.162323134615135
Energy: 1.3000319226345862
Energy: 1.2193010490363712
Energy: 1.3288870255417975
Energy: 1.129590617398987
Energy: 1.3288870255417975
Energy: 1.093331363772132
Energy: 1.3519596244025698
Energy: 1.209705154712499
Energy: 1.3519596244025698
Energy: 1.218132105299051
Energy: 1.21501020340954
Energy: 1.0839752630215649
Energy: 1.2150102034107453
Energy: 1.0646987911693102
Energy: 1.2265433591073205
Energy: 0.9868783167509902
Energy: 1.2265433591073205
Energy: 1.1084008985710805
Energy: 1.3074238906965943
Energy: 1.19224044890953
Energy: 1.307423890695389
Energy: 1.0645911360665399
Energy: 1.2262054740646893
Energy: 1.0144314401273575
Energy: 1.2262054740658948
Energy: 1.216135234085583
Energy: 1.2147228755576807
Energy: 1.0369839626031376
Energy: 1.2147228755564756
Energy: 1.1528913141163597
Energy: 1.3353370192608272
Energy: 1.1686669825963516
Energy: 1.3353370192608272
Energy: 1.1951705334217417
Energy: 1.3326289611858417
Energy: 1.0846651619096652
Energy: 1.3326289611858417
Energy: 1.1862205775620078
Energy: 1.2432833931934155
Energy: 1.1223363807077622
Energy: 1.2432833931934155
Energy: 1.0678603655093877
Energy: 1.213880704786221
Energy: 1.0953191970585359
Energy: 1.2138807047850426
Energy: 1.2196512387008365
Energy: 1.2486619969087724
Energy: 1.088845814593783
Energy: 1.2486619969087724

minimum gb energy = 0.9868783167509902 eV
minimum distance =  2.28222489101797 Angstroms
sigma value = 25


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

Energy: 1.1223243403140568
Energy: 1.4405945479447273
Energy: 1.2550748349521508
Energy: 1.4405945479447273
Energy: 1.0966187671464838
Energy: 1.4542588155842158
Energy: 1.073121464469414
Energy: 1.4542588155842158
Energy: 1.0752202468777732
Energy: 1.4745215632026838
Energy: 1.0728759656388156
Energy: 1.4745215632026838
Energy: 1.1180423099611123
Energy: 1.4414967147495044
Energy: 1.1591825027620728
Energy: 1.4414967147495044
Energy: 1.161603767228999
Energy: 1.093848312894159
Energy: 1.1754114666222308
Energy: 1.093848312894159
Energy: 1.0790270093686969
Energy: 1.471192711820284
Energy: 1.0784922898685565
Energy: 1.471192711820284
Energy: 1.1241698519606516
Energy: 1.2785784921071695
Energy: 1.0738783015897744
Energy: 1.2785784921071695
Energy: 1.1591903856463808
Energy: 1.4385220134935637
Energy: 1.1251950001096456
Energy: 1.4385220134950543
Energy: 1.0729349010075264
Energy: 1.2879409334811736
Energy: 1.0980286638829064
Energy: 1.2879409334826641
Energy: 1.2204358420568442
Energy: 1.312383897928345
Energy: 1.0756521805425003
Energy: 1.312383897928345
Energy: 1.1397925895568843
Energy: 1.4406569392101496
Energy: 1.2330797765478543
Energy: 1.4406569392101496
Energy: 1.0728419499095945
Energy: 1.130159636733004
Energy: 1.2247977870254785
Energy: 1.130159636733004
Energy: 1.1825235787984125
Energy: 1.4748526024354889
Energy: 1.0743032126861014
Energy: 1.4748526024354889
Energy: 1.0737177936834594
Energy: 1.4405368416213242
Energy: 1.1190416644523604
Energy: 1.4405368416228146
Energy: 1.122693379654934
Energy: 1.4402301011506125
Energy: 1.162618598572786
Energy: 1.4402301011506125
Energy: 1.0948103537366998
Energy: 1.4752482716437911
Energy: 1.0786487574365686
Energy: 1.4752482716437911
Energy: 1.0737470779715867
Energy: 1.17523361150818
Energy: 1.224685670986976
Energy: 1.17523361150818

minimum gb energy = 1.0728419499095945 eV
minimum distance =  2.32101830845065 Angstroms
sigma value = 17


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

Energy: 1.3034234660791786
Energy: 1.2991711244340414
Energy: 1.3146844916668528
Energy: 1.2991711244348856
Energy: 1.265485556698363
Energy: 1.2688364268794399
Energy: 1.1185116867102485
Energy: 1.2688364268794399
Energy: 1.1924710833156489
Energy: 1.278510898742422
Energy: 1.1180982309235923
Energy: 1.278510898742422
Energy: 1.1217221564665723
Energy: 1.2988378049972293
Energy: 1.2619648753903443
Energy: 1.2988378049997618
Energy: 1.2406760373864616
Energy: 1.3674302329547108
Energy: 1.184427843883907
Energy: 1.3674302329530224
Energy: 1.1427182279773938
Energy: 1.2926898737293981
Energy: 1.1706565244283775
Energy: 1.2926898737277097
Energy: 1.1248212657136603
Energy: 1.26692214678203
Energy: 1.123417589765591
Energy: 1.26692214678203
Energy: 1.172759712544158
Energy: 1.2929698917461603
Energy: 1.1371708662783264
Energy: 1.2929698917461603
Energy: 1.145012556419418
Energy: 1.3418748202218918
Energy: 1.226617567500346
Energy: 1.341874820222736
Energy: 1.2855217570587454
Energy: 1.241885500085544
Energy: 1.1188339583250924
Energy: 1.241885500085544
Energy: 1.1254538152148104
Energy: 1.2989885243610175
Energy: 1.197255059576256
Energy: 1.2989885243618615
Energy: 1.1407308867197923
Energy: 1.2679952307167761
Energy: 1.1409267530978418
Energy: 1.2679952306610958
Energy: 1.2532104187306528
Energy: 1.2988000823100951
Energy: 1.2987013340790419
Energy: 1.298800082309251
Energy: 1.1179244404628106
Energy: 1.456136184182892
Energy: 1.213796303503399
Energy: 1.456136184182892
Energy: 1.220097963379922
Energy: 1.3491096866416974
Energy: 1.144615198129344
Energy: 1.3491096866400087
Energy: 1.189615693987291
Energy: 1.2935365150837301
Energy: 1.17206560574942
Energy: 1.2935365150811977
Energy: 1.1227809224521592
Energy: 1.3379387544708112
Energy: 1.3272043196035102
Energy: 1.337938754469161
Energy: 1.1965321803185358
Energy: 1.2839729447241583
Energy: 1.1425972885989797
Energy: 1.2839729447233141
Energy: 1.2769050320395612
Energy: 1.3521252308279668
Energy: 1.1862635398474033
Energy: 1.352125230828811
Energy: 1.2739011231459594
Energy: 1.2934513315477374
Energy: 1.1221408838922209
Energy: 1.2934513315477374
Energy: 1.1464538188336346
Energy: 1.284066981142467
Energy: 1.1921293112070759
Energy: 1.2840669811433114
Energy: 1.122595825263066
Energy: 1.2937569259662258
Energy: 1.2865104939590424
Energy: 1.2937569259687585
Energy: 1.249519670145318
Energy: 1.2992752697979069
Energy: 1.1198779850454483
Energy: 1.299275269798751
Energy: 1.2282490198563973
Energy: 1.3466963029907575
Energy: 1.1932836495434367
Energy: 1.3466963029907575
Energy: 1.296440970092814
Energy: 1.2783659903282012
Energy: 1.2498215308444285
Energy: 1.2783659903273572
Energy: 1.2813107427303674
Energy: 1.2996969487834575
Energy: 1.1212068685498298
Energy: 1.2996969487826135
Energy: 1.14970686025647
Energy: 1.2929717773459661
Energy: 1.3333382156839464
Energy: 1.2929717773468101
Energy: 1.170973270355933
Energy: 1.310406739993885
Energy: 1.1935512491039666
Energy: 1.3104067399955734
Energy: 1.328016403889755
Energy: 1.4421530654843788
Energy: 1.1244050577466156
Energy: 1.4421530654860675
Energy: 1.1367796102749792
Energy: 1.342141440343861
Energy: 1.1973208585630561
Energy: 1.3421414403447052

minimum gb energy = 1.1179244404628106 eV
minimum distance =  2.26476206521586 Angstroms
sigma value = 53


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

Energy: 1.1175641452746004
Energy: 1.1153521509738564
Energy: 1.349080625629983
Energy: 1.1153521509719129
Energy: 1.264109215688508
Energy: 1.2289163812982473
Energy: 1.1368838545012114
Energy: 1.2289163812982473
Energy: 1.1184888502504737
Energy: 1.11548891048659
Energy: 1.1366024735222215
Energy: 1.1154889104846462
Energy: 1.1184146742093852
Energy: 1.1155934123725915
Energy: 1.1068443993378263
Energy: 1.1155934123745348
Energy: 1.2640946778981825
Energy: 1.2288672123733104
Energy: 1.155858324098262
Energy: 1.228867212375254
Energy: 1.1175641452746004
Energy: 1.1153521509738564
Energy: 1.252326371020239
Energy: 1.1153521509719129
Energy: 1.264109215688508
Energy: 1.2289163812982473
Energy: 1.2123716930211492
Energy: 1.228916381300191
Energy: 1.1184888502504737
Energy: 1.1154889104846462
Energy: 1.1067506527837832
Energy: 1.1154889104846462
Energy: 1.1184146742113288
Energy: 1.1155934123745348
Energy: 1.1367373902398072
Energy: 1.1155934123745348
Energy: 1.2640946778981825
Energy: 1.2288672123733104
Energy: 1.261309989443345
Energy: 1.2288672123733104
Energy: 1.1175641452746004
Energy: 1.1153521509738564
Energy: 1.2057920651688534
Energy: 1.1153521509719129
Energy: 1.264109215688508
Energy: 1.2289163812982473
Energy: 1.2068032271509033
Energy: 1.2289163812982473
Energy: 1.1184888502504737
Energy: 1.11548891048659
Energy: 1.2689945223757062
Energy: 1.11548891048659

minimum gb energy = 1.1067506527837832 eV
minimum distance =  2.31025234173264 Angstroms
sigma value = 9


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

Energy: 1.2310758861177757
Energy: 1.2608127024202642
Energy: 1.434542228932066
Energy: 1.260812702419545
Energy: 1.34320597917903
Energy: 1.245204608718589
Energy: 1.197145350097948
Energy: 1.245204608718589
Energy: 1.1475812865868902
Energy: 1.21168677725874
Energy: 1.1639207621274892
Energy: 1.21168677725874
Energy: 1.205071808490778
Energy: 1.5307673592159727
Energy: 1.157873698964152
Energy: 1.5307673592159727
Energy: 1.249844072178512
Energy: 1.2745481500197473
Energy: 1.1750684248402
Energy: 1.2745481500190279
Energy: 1.2139485880352197
Energy: 1.2112863645368226
Energy: 1.2000609966975926
Energy: 1.2112863645368226
Energy: 1.3775341618222314
Energy: 1.2668738562084085
Energy: 1.210333491329939
Energy: 1.2668738562098472
Energy: 1.163057864480251
Energy: 1.5351101814089112
Energy: 1.2676361196480974
Energy: 1.5351101814096304
Energy: 1.1500051141335565
Energy: 1.5455075873352626
Energy: 1.2238995688338212
Energy: 1.5455075873352626
Energy: 1.148439006370857
Energy: 1.240130401682241
Energy: 1.1983322423436447
Energy: 1.2401304016836796
Energy: 1.1651151105486863
Energy: 1.2223685543351328
Energy: 1.314453891764844
Energy: 1.222368554335852
Energy: 1.3337165633877828
Energy: 1.3407325777360373
Energy: 1.1526566020355562
Energy: 1.3407325777238084
Energy: 1.1495213343657669
Energy: 1.240581364287128
Energy: 1.2958377535114947
Energy: 1.2405813642842503
Energy: 1.2109153668607642
Energy: 1.53820117218008
Energy: 1.2360909284149584
Energy: 1.5382011721793605
Energy: 1.2109341579651614
Energy: 1.3777123715311457
Energy: 1.229933209516827
Energy: 1.3777123715289878
Energy: 1.1533794802214095
Energy: 1.5449402605119935
Energy: 1.19522288690341
Energy: 1.5449402605119935
Energy: 1.2060261067010187
Energy: 1.377831386322892
Energy: 1.1641505056074402
Energy: 1.3778313863221723
Energy: 1.168302857149438
Energy: 1.2676268797337846
Energy: 1.3137037345310532
Energy: 1.2676268797330656
Energy: 1.317636421434459
Energy: 1.240038762818392
Energy: 1.2160170462695716
Energy: 1.240038762818392
Energy: 1.1920540011390668
Energy: 1.2585420090973316
Energy: 1.2289763549910573
Energy: 1.2585420090966122
Energy: 1.2118074086536488
Energy: 1.5293440226304613
Energy: 1.2074404973774273
Energy: 1.5293440226304613
Energy: 1.2280939073173425
Energy: 1.2833324057392108
Energy: 1.1479740500685987
Energy: 1.2833324057384918
Energy: 1.2188648484787374
Energy: 1.403570599267621
Energy: 1.1502018798712144
Energy: 1.4035705992683405
Energy: 1.3730866032949773
Energy: 1.2051660590324402
Energy: 1.1624894325564386
Energy: 1.2051660590302822
Energy: 1.197524163683929
Energy: 1.3403363439687261
Energy: 1.4175244395011966
Energy: 1.3403363439708844
Energy: 1.1694200231272365
Energy: 1.2118003793275578
Energy: 1.1479029302543982
Energy: 1.2118003793275578
Energy: 1.2324320792661743
Energy: 1.3798802538337285
Energy: 1.204604759018061
Energy: 1.379880253833009
Energy: 1.2528182515291515
Energy: 1.530717895745034
Energy: 1.2051794405635712
Energy: 1.530717895745034
Energy: 1.2027433706098447
Energy: 1.211191302495689
Energy: 1.1464866652588694
Energy: 1.2111913024949696
Energy: 1.1969347551075837
Energy: 1.3433530617689355
Energy: 1.4204110778896128
Energy: 1.3433530617667775
Energy: 1.3791896082108144
Energy: 1.2064847625382529
Energy: 1.1618515101898044
Energy: 1.206484762536095
Energy: 1.197607246365183
Energy: 1.2698565603221248
Energy: 1.148105136128368
Energy: 1.269856560322844
Energy: 1.1974924991053828
Energy: 1.2837024204922296
Energy: 1.1475092024836886
Energy: 1.283702420492949
Energy: 1.2028261538291087
Energy: 1.5308013046465399
Energy: 1.204635392997363
Energy: 1.5308013046458209
Energy: 1.1641690325112937
Energy: 1.4143219475771922
Energy: 1.3773828271633075
Energy: 1.4143219475764726

minimum gb energy = 1.1464866652588694 eV
minimum distance =  2.27390818821697 Angstroms
sigma value = 73


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

Energy: 1.265364346155689
Energy: 1.2655048361175945
Energy: 1.2908850098675542
Energy: 1.2655048361175945
Energy: 1.3038396721195264
Energy: 1.3376185953761344
Energy: 1.2111079184628013
Energy: 1.3376185953761344
Energy: 1.1658908199747087
Energy: 1.2086469805503344
Energy: 1.1853652516092827
Energy: 1.2086469805503344
Energy: 1.1265038356896413
Energy: 1.430233557409918
Energy: 1.1901917805880209
Energy: 1.4302335574110596
Energy: 1.1732333108427073
Energy: 1.31041964310596
Energy: 1.186698530976912
Energy: 1.31041964310596
Energy: 1.1975525018562594
Energy: 1.2549062343989048
Energy: 1.2188399509955228
Energy: 1.2549062343989048
Energy: 1.398131906869974
Energy: 1.3528691029053277
Energy: 1.158986213620415
Energy: 1.3528691029053277
Energy: 1.1550159318274074
Energy: 1.2311916488226973
Energy: 1.3700793528876416
Energy: 1.2311916488226973
Energy: 1.289979237958089
Energy: 1.2323047983960616
Energy: 1.2298084375954392
Energy: 1.2323047983949202
Energy: 1.1621267983618515
Energy: 1.2535350201278688
Energy: 1.1617933827262714
Energy: 1.2535350201278688
Energy: 1.15205598934248
Energy: 1.232166997739071
Energy: 1.2580996818966894
Energy: 1.23216699773793
Energy: 1.2700418686384076
Energy: 1.4282032628596304
Energy: 1.1259005482951598
Energy: 1.4282032628596304
Energy: 1.190247083945835
Energy: 1.300884109788956
Energy: 1.3672788017970199
Energy: 1.300884109787815
Energy: 1.2813293656224622
Energy: 1.4083788416449061
Energy: 1.1965139081438485
Energy: 1.4083788416414824
Energy: 1.1243025041268602
Energy: 1.4109653367815078
Energy: 1.3739138638383182
Energy: 1.4109653367815078
Energy: 1.2575566009839962
Energy: 1.2313516912764364
Energy: 1.1555432515442132
Energy: 1.231351691275295
Energy: 1.2704614449879943
Energy: 1.2673432045952784
Energy: 1.1660571240830857
Energy: 1.2673432045952784
Energy: 1.2175417443506136
Energy: 1.4209582243853598
Energy: 1.161820091331136
Energy: 1.4209582243853598
Energy: 1.1223944672253303
Energy: 1.23137788221721
Energy: 1.154542575426412
Energy: 1.2313778822183514
Energy: 1.2110147475201005
Energy: 1.288161128592325
Energy: 1.4436618779000834
Energy: 1.2881611286128423
Energy: 1.305865230853407
Energy: 1.242736409661665
Energy: 1.1966114932269258
Energy: 1.2427364096628064
Energy: 1.2068918096626484
Energy: 1.3093491962028065
Energy: 1.2848370273118024
Energy: 1.3093491962028065

minimum gb energy = 1.1223944672253303 eV
minimum distance =  2.28895302972545 Angstroms
sigma value = 7


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

Energy: 1.266406891634338
Energy: 1.2623688681273342
Energy: 1.4324157433555804
Energy: 1.262368868128948
Energy: 1.352007541557358
Energy: 1.2048585374685812
Energy: 1.204375673455696
Energy: 1.2048585374669674
Energy: 1.1778802805168103
Energy: 1.4679560816431099
Energy: 1.167268398483017
Energy: 1.4679560816414958
Energy: 1.142708399989927
Energy: 1.3369494367682815
Energy: 1.2050120507219044
Energy: 1.3369494367690886
Energy: 1.1831934704075018
Energy: 1.2890055731927732
Energy: 1.1744397565212015
Energy: 1.2890055731943875
Energy: 1.1811223918890101
Energy: 1.2635902480955772
Energy: 1.273883344755102
Energy: 1.2635902480955772
Energy: 1.386660305039389
Energy: 1.436461542707007
Energy: 1.1615687169618374
Energy: 1.436461542708621
Energy: 1.1807424243180147
Energy: 1.2632392786625153
Energy: 1.4097164622235359
Energy: 1.2632392786625153
Energy: 1.2894133808114832
Energy: 1.316480261437395
Energy: 1.203339518415037
Energy: 1.3164802614382018
Energy: 1.1796866517414182
Energy: 1.2965448634697698
Energy: 1.27045150514902
Energy: 1.2965448634697698
Energy: 1.14810671766557
Energy: 1.4672295960180939
Energy: 1.1617091440255092
Energy: 1.4672295960180939
Energy: 1.232810194785726
Energy: 1.2892657496818438
Energy: 1.1585959906014538
Energy: 1.2892657496810367
Energy: 1.2313029856991007
Energy: 1.2639894483531853
Energy: 1.1620250922980409
Energy: 1.263989448354799
Energy: 1.1678023365044357
Energy: 1.247406603479065
Energy: 1.157663648349641
Energy: 1.2474066034798719
Energy: 1.1809109662574084
Energy: 1.3737657211883803
Energy: 1.3903679372029547
Energy: 1.3737657211883803
Energy: 1.336884937433061
Energy: 1.2471409048519504
Energy: 1.1995253888186006
Energy: 1.2471409048511433
Energy: 1.1818524595867461
Energy: 1.2895650898247302
Energy: 1.3235843608400197
Energy: 1.2895650898255373
Energy: 1.181681323183086
Energy: 1.2495275019954506
Energy: 1.1580873573622001
Energy: 1.2495275019954506
Energy: 1.1805015751283203
Energy: 1.2630386373854017
Energy: 1.1619235700167674
Energy: 1.2630386373837879
Energy: 1.1793504471682321
Energy: 1.2887247536266453
Energy: 1.1585981084821433
Energy: 1.2887247536226105
Energy: 1.1474457889771346
Energy: 1.4213991181523637
Energy: 1.203622102618934
Energy: 1.4213991181539778
Energy: 1.179965614604502
Energy: 1.4614915379962672
Energy: 1.3499223648967196
Energy: 1.4614915379962672
Energy: 1.3367051166128023
Energy: 1.4319085215269487
Energy: 1.1613729010280744
Energy: 1.4319085215261416
Energy: 1.2694427501871999
Energy: 1.26314326909196
Energy: 1.2656421270023348
Energy: 1.2631432690911528
Energy: 1.2131251701878842
Energy: 1.2888778594622547
Energy: 1.1618608940062756
Energy: 1.2888778594622547
Energy: 1.1419500167630983
Energy: 1.4657360254746188
Energy: 1.1661038955846685
Energy: 1.4657360254754257
Energy: 1.1812818918818018
Energy: 1.296434601876844
Energy: 1.245309812777715
Energy: 1.2964346018792652
Energy: 1.1432200123125156
Energy: 1.2891899113120495
Energy: 1.2062559300088567
Energy: 1.2891899113096283
Energy: 1.177031625922806
Energy: 1.26278319799067
Energy: 1.2380500203959028
Energy: 1.2627831979922843
Energy: 1.4033329673014463
Energy: 1.2267085120308514
Energy: 1.2058218242346541
Energy: 1.2267085120292374
Energy: 1.1770302168633116
Energy: 1.2629693319685134
Energy: 1.3580171642985976
Energy: 1.2629693319685134

minimum gb energy = 1.1419500167630983 eV
minimum distance =  2.27433387375459 Angstroms
sigma value = 29


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

Energy: 1.1917755645522419
Energy: 1.1973381649898198
Energy: 1.0821175090478166
Energy: 1.1973381649892574
Energy: 1.1263159851306317
Energy: 1.2122515111659458
Energy: 1.2145207838154726
Energy: 1.2122515111637595
Energy: 1.0796041687590145
Energy: 1.2807353190203257
Energy: 1.125077989703218
Energy: 1.2807353190194821
Energy: 1.2156996440715755
Energy: 1.2370098321709913
Energy: 1.2146415998975653
Energy: 1.2370098321721157
Energy: 1.1901746299380187
Energy: 1.2693062875545837
Energy: 1.1197109218639008
Energy: 1.2693062875545837
Energy: 1.0804964859147295
Energy: 1.3070306961919205
Energy: 1.0802454443506144
Energy: 1.3070306961922018
Energy: 1.0799586854954566
Energy: 1.2691105710196757
Energy: 1.1902128632134175
Energy: 1.269110571019426
Energy: 1.214010006139783
Energy: 1.2376865024909005
Energy: 1.2126886780434034
Energy: 1.2376865024909005
Energy: 1.125531688815737
Energy: 1.28103675393511
Energy: 1.1247701916526958
Energy: 1.28103675393536

minimum gb energy = 1.0796041687590145 eV
minimum distance =  2.30324155186217 Angstroms
sigma value = 5


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

Energy: 1.1492895698129482
Energy: 1.1710279514477862
Energy: 1.0856109637500793
Energy: 1.1710279514485487
Energy: 1.396410843138334
Energy: 1.1259953222308878
Energy: 1.0958553820426333
Energy: 1.1259953222308878
Energy: 1.0842236595644714
Energy: 1.1532193421711727
Energy: 1.2785712180217508
Energy: 1.1532193421711727
Energy: 1.078716109023007
Energy: 1.2063561114178418
Energy: 1.1249851286174888
Energy: 1.2063561114178418
Energy: 1.1100747202962704
Energy: 1.2143508584361047
Energy: 1.2748270533161359
Energy: 1.2143508584368674
Energy: 1.1160730431619412
Energy: 1.1734727491797328
Energy: 1.101792546576305
Energy: 1.1734727491789705
Energy: 1.084863200610072
Energy: 1.2138651256615447
Energy: 1.0868686761053037
Energy: 1.2138651256623072
Energy: 1.0856727066850598
Energy: 1.173700132012249
Energy: 1.0907469592223147
Energy: 1.173700132012249
Energy: 1.1125283831990564
Energy: 1.2133682334960612
Energy: 1.0768026713985976
Energy: 1.2133682334960612
Energy: 1.1126978305485182
Energy: 1.2160331410838063
Energy: 1.0715356878615336
Energy: 1.2160331410853311
Energy: 1.0949748436802864
Energy: 1.2028120506560012
Energy: 1.0880992519667936
Energy: 1.202812050655239
Energy: 1.0868398480827195
Energy: 1.142691851393802
Energy: 1.1747352233503008
Energy: 1.1426918513945643
Energy: 1.1219891916080367
Energy: 1.1718360859238242
Energy: 1.1706139258855623
Energy: 1.1718360859230619
Energy: 1.1123274363843911
Energy: 1.171317407138609
Energy: 1.3803128908601543
Energy: 1.1713174071378465
Energy: 1.306968775205773
Energy: 1.115655415407041
Energy: 1.0880910514236855
Energy: 1.1156554154062785
Energy: 1.1228253547095033
Energy: 1.1531418209401236
Energy: 1.1008502799255517
Energy: 1.1531418209408861
Energy: 1.275385776984491
Energy: 1.1394995833098744
Energy: 1.101466335620216
Energy: 1.1394995833106365
Energy: 1.112118322797788
Energy: 1.1719935785781177
Energy: 1.1719574521283975
Energy: 1.1719935785781177
Energy: 1.1113949893154353
Energy: 1.218055243380185
Energy: 1.0968543710281218
Energy: 1.2180552433794225
Energy: 1.0848149327182455
Energy: 1.2326589883374668
Energy: 1.1285313652904057
Energy: 1.2326589883367045
Energy: 1.0721227692154172
Energy: 1.1989890242034
Energy: 1.1218074978031989
Energy: 1.1989890242034
Energy: 1.1110914850651428
Energy: 1.213478002942416
Energy: 1.1110211169003719
Energy: 1.213478002943178
Energy: 1.0988003757145453
Energy: 1.1728034835091783
Energy: 1.07219519696783
Energy: 1.1728034835106336
Energy: 1.1739913191863596
Energy: 1.2036816251455085
Energy: 1.084944828465733
Energy: 1.2036816251462705
Energy: 1.1803830035583298
Energy: 1.157362763685005
Energy: 1.0941243859991936
Energy: 1.157362763685005
Energy: 1.1491557901659493
Energy: 1.1717202957097899
Energy: 1.1118335766066012
Energy: 1.1717202957082653
Energy: 1.0977620545008056
Energy: 1.1002179492867519
Energy: 1.1317472476862807
Energy: 1.100217949287514
Energy: 1.107046223091737
Energy: 1.2079178812022926
Energy: 1.1227994947196824
Energy: 1.207917881203055
Energy: 1.0954732921855712
Energy: 1.1252418733715523
Energy: 1.434691306957324
Energy: 1.1252418733707898
Energy: 1.239156276982168
Energy: 1.1717122158359787
Energy: 1.112053468192035
Energy: 1.1717122158375033
Energy: 1.101033965256758
Energy: 1.1356043727634098
Energy: 1.266481655126515
Energy: 1.1356043727626477
Energy: 1.2741981892347973
Energy: 1.1570087583011972
Energy: 1.0874372700252402
Energy: 1.1570087583011972
Energy: 1.1238687435149963
Energy: 1.2033193584602309
Energy: 1.076503677819368
Energy: 1.2033193584594686

minimum gb energy = 1.0715356878615336 eV
minimum distance =  2.29387337501746 Angstroms
sigma value = 1


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

Energy: 1.1137559975900957
Energy: 1.1102211939860607
Energy: 1.1264933990679793
Energy: 1.1102211939850066
Energy: 1.3343735818206166
Energy: 1.0559801686997934
Energy: 1.0624225451263114
Energy: 1.0559801686997934
Energy: 1.0189860248517901
Energy: 1.1108509184305455
Energy: 1.4784501713370184
Energy: 1.1108509184284374
Energy: 1.0703379502889812
Energy: 1.1632881055687052
Energy: 1.0607869907063616
Energy: 1.1632881055687052
Energy: 1.019884171855334
Energy: 1.2061217960188777
Energy: 1.2839890596819912
Energy: 1.2061217960209858
Energy: 1.0224945638192493
Energy: 1.1579761837205078
Energy: 1.0609821443562104
Energy: 1.1579761837205078
Energy: 1.0207481457811765
Energy: 1.210338499093516
Energy: 1.0777624796002916
Energy: 1.210338499093516
Energy: 1.0204876942136574
Energy: 1.1140344311293398
Energy: 1.0781729239565032
Energy: 1.1140344311282857
Energy: 1.1167517948667864
Energy: 1.1083564709597464
Energy: 1.0768523506125118
Energy: 1.1083564709586924
Energy: 1.1072851993729937
Energy: 1.1084654233322313
Energy: 1.0803126798397962
Energy: 1.1084654233311773
Energy: 1.0205423072754518
Energy: 1.1140624387279618
Energy: 1.070759512128337
Energy: 1.1140624387279618
Energy: 1.0200755673164659
Energy: 1.2101131264606189
Energy: 1.0803774455236133
Energy: 1.210113126459565
Energy: 1.0222036539156583
Energy: 1.1580733329437427
Energy: 1.0612134990016648
Energy: 1.1580733329447968
Energy: 1.0197540004525996
Energy: 1.2053648316855252
Energy: 1.213266840067939
Energy: 1.2053648316876333
Energy: 1.0692311307610982
Energy: 1.163103583696905
Energy: 1.0607824749780197
Energy: 1.1631035836979589
Energy: 1.0187792764708183
Energy: 1.1107840940309048
Energy: 1.0757337468788748
Energy: 1.1107840940319587
Energy: 1.3341848172730395
Energy: 1.0559468753452568
Energy: 1.0628395247328817
Energy: 1.0559468753442027
Energy: 1.1137559975900957
Energy: 1.1102211939860607
Energy: 1.0461413663495354
Energy: 1.1102211939850066
Energy: 1.3343735818206166
Energy: 1.0559801686997934
Energy: 1.0624225451263114
Energy: 1.0559801686997934
Energy: 1.0189860248517901
Energy: 1.1108509184305455
Energy: 1.4784501713370184
Energy: 1.1108509184284374
Energy: 1.0703379502900352
Energy: 1.1632881055687052
Energy: 1.0607869907063616
Energy: 1.1632881055687052
Energy: 1.019884171855334
Energy: 1.2061217960188777
Energy: 1.2839890596809371
Energy: 1.2061217960178234
Energy: 1.0224945638181955
Energy: 1.1579761837205078
Energy: 1.0609821443572645
Energy: 1.1579761837205078
Energy: 1.0207481457811765
Energy: 1.210338499093516
Energy: 1.0726700873937425
Energy: 1.210338499093516

minimum gb energy = 1.0187792764708183 eV
minimum distance =  2.30235271068275 Angstroms
sigma value = 17


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

Energy: 1.088615029203274
Energy: 1.0856820482440876
Energy: 1.2642698990986436
Energy: 1.0856820482427847
Energy: 1.3148164494963874
Energy: 1.0687739743028997
Energy: 1.0360153751738483
Energy: 1.0687739743055056
Energy: 1.0362712801631064
Energy: 1.067872753302682
Energy: 1.3181768214785972
Energy: 1.0678727533033334
Energy: 1.058606127489543
Energy: 1.250558439209472
Energy: 1.0325602188694767
Energy: 1.2505584392101234
Energy: 1.0177457724121177
Energy: 1.148513273448703
Energy: 1.3159795590592283
Energy: 1.1485132734480514
Energy: 1.0066819682411863
Energy: 1.2686120824183116
Energy: 1.053965405688289
Energy: 1.2686120824183116
Energy: 1.036116670002197
Energy: 1.1274358767864912
Energy: 1.0921086571281875
Energy: 1.1274358767871426
Energy: 1.0179609347855665
Energy: 1.2783390601519358
Energy: 1.0166405946959554
Energy: 1.2783390601506326
Energy: 1.0802971923936977
Energy: 1.2794142110261133
Energy: 1.0580003809999008
Energy: 1.2794142110267648
Energy: 1.0843021875634788
Energy: 1.1109591514930037
Energy: 1.0360443778412305
Energy: 1.1109591514936552
Energy: 1.0367814493593444
Energy: 1.2494140230694268
Energy: 1.017780127050094
Energy: 1.2494140230687751
Energy: 1.0390641745738827
Energy: 1.1182321288581414
Energy: 1.019539966660761
Energy: 1.1182321288587929
Energy: 1.0054538255150138
Energy: 1.2688822258614478
Energy: 1.0345423208313376
Energy: 1.268882225862099
Energy: 1.0178695134014335
Energy: 1.1479941597650944
Energy: 1.1138571490881966
Energy: 1.147994159764443
Energy: 1.020773418554817
Energy: 1.2587435796052715
Energy: 1.0940700047144156
Energy: 1.2587435796052715
Energy: 1.0362974222159553
Energy: 1.068122931119429
Energy: 1.3125324846435635
Energy: 1.068122931119429
Energy: 1.046616791930076
Energy: 1.2610439757078353
Energy: 1.0338818405502588
Energy: 1.2610439757078353
Energy: 1.0316342045744256
Energy: 1.0861034066777024
Energy: 1.0328799539707882
Energy: 1.0861034066777024
Energy: 1.2005429296342611
Energy: 1.1202180664956687
Energy: 1.0368812641015004
Energy: 1.1202180664956687
Energy: 1.0540491008805266
Energy: 1.0677181030297895
Energy: 1.1967798410564654
Energy: 1.0677181030297895
Energy: 1.4557222745270155
Energy: 1.0583061964006601
Energy: 1.0344370031858048
Energy: 1.0583061964006601
Energy: 1.03489678974621
Energy: 1.0869574219383542
Energy: 1.3233921061460532
Energy: 1.0869574219377027
Energy: 1.1885563720775134
Energy: 1.050318110318431
Energy: 1.0536058821986505
Energy: 1.050318110317128
Energy: 1.037048141698719
Energy: 1.1283631276025008
Energy: 1.2186515684848949
Energy: 1.128363127603152
Energy: 1.0464449952601178
Energy: 1.0867808064199127
Energy: 1.0318568725570005
Energy: 1.0867808064205642
Energy: 1.035470262031064
Energy: 1.1493358186601654
Energy: 1.0508635462734928
Energy: 1.149335818659514
Energy: 1.1794501574689515
Energy: 1.10248252848272
Energy: 1.0370875229161605
Energy: 1.10248252848272
Energy: 1.0970654626497
Energy: 1.2597604840385466
Energy: 1.0191703546297692
Energy: 1.259760484043107
Energy: 1.1103513025272003
Energy: 1.1472103387426724
Energy: 1.018885460402008
Energy: 1.1472103387426724
Energy: 1.035751355076727
Energy: 1.2670569975404193
Energy: 1.0610439126088513
Energy: 1.2670569975404193
Energy: 1.0190337782897336
Energy: 1.1472090495553735
Energy: 1.0376569686349235
Energy: 1.1472090495553735
Energy: 1.0190506581566297
Energy: 1.2504176924731059
Energy: 1.0347339383914749
Energy: 1.2504176924724544
Energy: 1.0371135002785272
Energy: 1.1106475851763993
Energy: 1.2136816911929094
Energy: 1.1106475851783537
Energy: 1.0630950228001197
Energy: 1.2826677622109792
Energy: 1.05681023317041
Energy: 1.2826677622096765
Energy: 1.0171895908630777
Energy: 1.0867182603721044
Energy: 1.050954978708962
Energy: 1.0867182603727559
Energy: 1.0882865303985028
Energy: 1.1283138588256605
Energy: 1.0347329526801397
Energy: 1.1283138588256605
Energy: 1.0534652902103658
Energy: 1.2699775233551691
Energy: 1.0060101178855054
Energy: 1.2699775233551691
Energy: 1.315600441191765
Energy: 1.1493358863923746
Energy: 1.0346773084843248
Energy: 1.1493358863917233

minimum gb energy = 1.0054538255150138 eV
minimum distance =  2.29937373242213 Angstroms
sigma value = 89


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

Energy: 0.947809487701012
Energy: 0.9455865624235907
Energy: 0.9343241023651164
Energy: 0.9455865624235907
Energy: 0.9501702874748414
Energy: 0.9869283133887619
Energy: 0.953685605153199
Energy: 0.9869283133887619
Energy: 0.9535598794283161
Energy: 1.1171580499834397
Energy: 1.3729300199101975
Energy: 1.1171580499834397
Energy: 0.9230928630783028
Energy: 0.9868997752821577
Energy: 0.9536394925008943
Energy: 0.9868997752821577
Energy: 0.9526483297558648
Energy: 1.0307085405401502
Energy: 1.5792663702834173
Energy: 1.0307085405401502
Energy: 0.949525727329233
Energy: 0.947020845859071
Energy: 0.9507180682067752
Energy: 0.947020845859071
Energy: 0.9530368855063449
Energy: 1.1173894620952876
Energy: 0.9540978777802807
Energy: 1.1173894620952876
Energy: 0.9083786901290578
Energy: 1.115670275107462
Energy: 0.9532048437537574
Energy: 1.1156702751057572
Energy: 0.9499688677860146
Energy: 1.0313138677457783
Energy: 0.9156066970244439
Energy: 1.0313138677457783
Energy: 0.9867260400599412
Energy: 1.024880289577867
Energy: 0.9480263607464475
Energy: 1.024880289577867
Energy: 0.9429290705057988
Energy: 0.9877991548150822
Energy: 0.9535676068256347
Energy: 0.9877991548150822
Energy: 0.9429583098261323
Energy: 1.1206147665791815
Energy: 0.953025735723286
Energy: 1.1206147665808859
Energy: 0.9486958242844254
Energy: 0.9483875912747847
Energy: 0.9230331694080449
Energy: 0.9483875912747847
Energy: 0.9498969602265295
Energy: 1.029289944244593
Energy: 0.9498806131911907
Energy: 1.029289944244593
Energy: 0.90723849774935
Energy: 0.9484705930769904
Energy: 0.9490955954638229
Energy: 0.9484705930769904

minimum gb energy = 0.90723849774935 eV
minimum distance =  2.31736017291874 Angstroms
sigma value = 13


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

Energy: 0.9221282702213923
Energy: 0.879525520068648
Energy: 1.1298521714904481
Energy: 0.8795255200693626
Energy: 1.3742628954666611
Energy: 0.9074114699152711
Energy: 0.8632909843140922
Energy: 0.9074114699188434
Energy: 0.8820335892266479
Energy: 0.880318553446048
Energy: 1.3113306232629718
Energy: 0.880318553446048
Energy: 0.8880282405009204
Energy: 0.9073180740509696
Energy: 0.85986765754619
Energy: 0.9073180740509696
Energy: 0.8897851773861024
Energy: 0.9430396798516563
Energy: 0.8814252934948426
Energy: 0.9430396798509418
Energy: 0.8687758904485762
Energy: 0.9079323838033663
Energy: 0.8945663369588509
Energy: 0.9079323838033663
Energy: 0.8898815239794428
Energy: 0.9492569777541154
Energy: 1.2113169901415874
Energy: 0.9492569777512577
Energy: 0.8474134167372168
Energy: 0.908068648724918
Energy: 0.8945340971506539
Energy: 0.9080686487220601
Energy: 0.8899114816288747
Energy: 0.9484465981845801
Energy: 1.0507979107432532
Energy: 0.9484465981845801
Energy: 1.0641209917405514
Energy: 0.9691440864734873
Energy: 0.860037194217001
Energy: 0.9691440864756308
Energy: 0.8899229795125353
Energy: 0.969918387793528
Energy: 0.8671953476046949
Energy: 0.9699183877956715
Energy: 1.2070184833929105
Energy: 0.9690891976970523
Energy: 0.8592049252081528
Energy: 0.9690891976991955
Energy: 0.9298226548178835
Energy: 0.8997918186625696
Energy: 0.8619733070743164
Energy: 0.8997918186639985
Energy: 1.2312947917117172
Energy: 0.969605199540252
Energy: 0.8592903758368445
Energy: 0.9696051995381085
Energy: 0.8900748239570577
Energy: 0.8803028341319966
Energy: 0.8590954943949355
Energy: 0.88030283413414
Energy: 0.8873644265247613
Energy: 0.9701779761469405
Energy: 0.8614475223227677
Energy: 0.970177976144797
Energy: 0.8811313423030696
Energy: 0.8784644946485825
Energy: 0.8635273686188779
Energy: 0.8784644946542982
Energy: 0.8780507594031521
Energy: 0.9462683978425118
Energy: 0.901970256247083
Energy: 0.9462683978425118
Energy: 0.8812042697278353
Energy: 0.9465717523356776
Energy: 0.9021723310690071
Energy: 0.9465717523342488
Energy: 0.8812290359235649
Energy: 0.9465862963910623
Energy: 0.9021022927110476
Energy: 0.9465862963946347
Energy: 0.8783702585769803
Energy: 0.9461892329413739
Energy: 0.9022270983485067
Energy: 0.9461892329406594
Energy: 0.8811417782550517
Energy: 0.8783998095911328
Energy: 0.8639495293114875
Energy: 0.8783998095911328
Energy: 0.8871703242009842
Energy: 0.9699446863765163
Energy: 0.8614286493087793
Energy: 0.9699446863765163
Energy: 0.8900522339529814
Energy: 0.8802149323069884
Energy: 0.8547114633288464
Energy: 0.8802149323119896
Energy: 1.231119288956223
Energy: 0.9695011381103626
Energy: 0.8591943674435726
Energy: 0.9695011381089337
Energy: 0.9288386575624075
Energy: 0.8997991040718907
Energy: 0.8672998997783102
Energy: 0.8997991040683183
Energy: 1.2066298285043977
Energy: 0.9691242882002706
Energy: 0.8593285436477519
Energy: 0.9691242882024141
Energy: 0.8899275254621359
Energy: 0.9701367217122037
Energy: 0.8672953455681558
Energy: 0.970136721715776
Energy: 1.0642035605524813
Energy: 0.9692072394114719
Energy: 0.8600138256157014
Energy: 0.9692072394136154
Energy: 0.8899487789141864
Energy: 0.9487975149978669
Energy: 1.1869738025487555
Energy: 0.948797515002868
Energy: 0.8526927649361701
Energy: 0.9078252102861927
Energy: 0.8946155311423823
Energy: 0.9078252102833348
Energy: 0.8901208529407886
Energy: 0.9495547486976181
Energy: 1.345160690045339
Energy: 0.9495547486954748
Energy: 0.8642720408319667
Energy: 0.9076755316153516
Energy: 0.8944306535617752
Energy: 0.9076755316203529
Energy: 0.8897604459150195
Energy: 0.9430870963395885
Energy: 0.8776163578726497
Energy: 0.943087096341732
Energy: 0.8883992836737516
Energy: 0.9068557085419899
Energy: 0.8598531846896883
Energy: 0.9068557085362742

minimum gb energy = 0.8474134167372168 eV
minimum distance =  2.3285863215993 Angstroms
sigma value = 37


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

Energy: 0.8393822073141342
Energy: 0.837261816816149
Energy: 0.7406357398208429
Energy: 0.837261816816149
Energy: 1.3627303784284095
Energy: 0.836376647687687
Energy: 0.7737685090671391
Energy: 0.836376647687687
Energy: 0.7894611462270209
Energy: 0.9372150525666267
Energy: 1.0845902886352068
Energy: 0.9372150525678559
Energy: 0.7734075528561126
Energy: 0.8364041963815133
Energy: 0.7741958459251329
Energy: 0.8364041963815133
Energy: 0.7734390068281087
Energy: 0.8363124481723373
Energy: 0.7695096316812615
Energy: 0.8363124481723373
Energy: 0.7470729158702886
Energy: 0.8363644451356306
Energy: 0.7711340470743454
Energy: 0.8363644451356306
Energy: 0.7734190511264781
Energy: 0.8805185825596765
Energy: 1.0821244972708663
Energy: 0.8805185825596765
Energy: 0.7710127956603976
Energy: 0.8378548565371917
Energy: 0.8414660762864363
Energy: 0.8378548565371917
Energy: 0.7729007717474167
Energy: 0.8362310744606696
Energy: 1.0813652837158614
Energy: 0.8362310744594403
Energy: 1.1217219545887924
Energy: 0.926342496396477
Energy: 0.7713277301903351
Energy: 0.926342496396477
Energy: 0.7940971104102335
Energy: 0.8802657216651838
Energy: 0.7720626838605673
Energy: 0.8802657216664128
Energy: 1.1421175205205207
Energy: 0.837040806525623
Energy: 0.7738726805416078
Energy: 0.837040806525623
Energy: 0.7735645971754764
Energy: 0.8360081187881367
Energy: 0.7480715709707061
Energy: 0.836008118789366
Energy: 1.0818993303779596
Energy: 0.8801740402117131
Energy: 0.7721966623991249
Energy: 0.8801740402117131
Energy: 0.8424909378795171
Energy: 0.8813278972467239
Energy: 0.7721947316320699
Energy: 0.8813278972467239
Energy: 0.8348725241808043
Energy: 0.8366040814937428
Energy: 0.7741770197502
Energy: 0.8366040814937428
Energy: 0.7732688931008279
Energy: 0.9288263335897831
Energy: 0.7467543908049924
Energy: 0.9288263335897831
Energy: 0.7682894717035752
Energy: 0.8810848676690676
Energy: 0.7723339439463829
Energy: 0.8810848676690676
Energy: 0.7735835396887742
Energy: 0.8384680748503084
Energy: 0.7758619314991307
Energy: 0.8384680748515376
Energy: 0.7692702449468343
Energy: 0.8362212563519558
Energy: 0.7675378526139162
Energy: 0.8362212563519558

minimum gb energy = 0.7406357398208429 eV
minimum distance =  2.33533303801094 Angstroms
sigma value = 25


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

Energy: 0.895014699123765
Energy: 0.7175882701023137
Energy: 1.236461339170467
Energy: 0.7175882701032735
Energy: 1.377099145988508
Energy: 0.7262145128339247
Energy: 0.705756482351547
Energy: 0.7262145128348847
Energy: 0.853014880133077
Energy: 0.7156514700340053
Energy: 0.9225087350987637
Energy: 0.7156514700340053
Energy: 1.04297982230459
Energy: 0.7430780859880627
Energy: 0.7065622168059261
Energy: 0.7430780859880627
Energy: 0.7199539667872691
Energy: 0.7264394836045402
Energy: 0.6885413939739802
Energy: 0.7264394836055003
Energy: 0.7874913276615004
Energy: 0.7156252016764109
Energy: 0.7209861037313624
Energy: 0.7156252016783303
Energy: 0.7058935394576135
Energy: 0.7003040364737453
Energy: 1.0444159951779561
Energy: 0.7003040364727855
Energy: 0.6585920074974512
Energy: 0.7542770627864158
Energy: 0.8408034147491551
Energy: 0.7542770627854559
Energy: 0.7050967409994504
Energy: 0.7300922456743297
Energy: 1.2643455555688003
Energy: 0.7300922456752894
Energy: 0.6674961004822553
Energy: 0.7003136091381853
Energy: 0.7564309396579348
Energy: 0.7003136091372254
Energy: 0.705479589957488
Energy: 0.7002400221976379
Energy: 1.1671913421313067
Energy: 0.7002400221966779
Energy: 0.974494288708913
Energy: 0.8244714037486857
Energy: 0.8412345716638306
Energy: 0.8244714037496457
Energy: 0.7073836235048663
Energy: 0.7427241132025947
Energy: 1.0551170081635666
Energy: 0.7427241132025947
Energy: 0.9994995702563241
Energy: 0.9976766155094186
Energy: 0.7207318510639811
Energy: 0.9976766155094186
Energy: 0.7208946074461084
Energy: 0.700715747948866
Energy: 0.7942636457898048
Energy: 0.700715747947906
Energy: 1.1033761325219338
Energy: 0.8249349823701094
Energy: 0.707603793539921
Energy: 0.8249349824516531
Energy: 0.8369403934146257
Energy: 0.7536424404448003
Energy: 0.6590699979054325
Energy: 0.7536424404428805
Energy: 1.0963379971087281
Energy: 0.7264496840451933
Energy: 0.706037719987766
Energy: 0.7264496840461532
Energy: 0.896213287368479
Energy: 0.7151274543421391
Energy: 0.6732661302357157
Energy: 0.7151274543393032
Energy: 1.272130320990737
Energy: 0.8284225402556223
Energy: 0.7074362141358141
Energy: 0.8284225402556223
Energy: 0.8421568124147257
Energy: 1.0440864661998916
Energy: 0.657912258075377
Energy: 1.044086466198932
Energy: 0.8350203547322027
Energy: 0.743083295179336
Energy: 0.7102906670657663
Energy: 0.743083295179336
Energy: 0.7241142834877611
Energy: 0.7011027945301318
Energy: 0.998089710341312
Energy: 0.7011027945301318
Energy: 0.8011698056260157
Energy: 0.828079406381761
Energy: 0.7240945560205894
Energy: 0.8280794063808012
Energy: 0.7084449249332867
Energy: 0.8241671797889905
Energy: 1.1016548331126643
Energy: 0.824167179785151
Energy: 0.6713849288349221
Energy: 0.7540456065484936
Energy: 0.8390053601462826
Energy: 0.7540456065475338

minimum gb energy = 0.657912258075377 eV
minimum distance =  2.33925483647578 Angstroms
sigma value = 41


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

Energy: 1.0388826674815546
Energy: 0.6458471101569057
Energy: 0.7377256253043838
Energy: 0.6458471101569057
Energy: 1.3483525898467263
Energy: 0.6278969635121558
Energy: 0.6143654734525721
Energy: 0.6278969635121558
Energy: 0.6459727461336012
Energy: 0.6124291633810871
Energy: 0.5822415029330599
Energy: 0.6124291633803003
Energy: 1.0149246896829403
Energy: 0.6283958059379047
Energy: 0.6145796809551455
Energy: 0.6283958059379047
Energy: 0.6119246572866751
Energy: 0.6657973903995954
Energy: 0.5960660562199965
Energy: 0.6657973904003823
Energy: 0.7986560119034762
Energy: 0.6279171605303908
Energy: 0.614280688671974
Energy: 0.6279171605319647
Energy: 0.613748264862936
Energy: 0.6284945979751148
Energy: 0.8848929074030194
Energy: 0.6284945979751148
Energy: 0.6027554579456751
Energy: 0.64606258287401
Energy: 0.6124408464772131
Energy: 0.6460625828732232
Energy: 0.6159851608434498
Energy: 0.646168769561408
Energy: 1.080896492549691
Energy: 0.646168769562195
Energy: 0.6000198441468328
Energy: 0.611880477492116
Energy: 0.6465102485954556
Energy: 0.611880477492903
Energy: 0.6138079027073698
Energy: 0.6288429572256475
Energy: 1.1858960339201263
Energy: 0.6288429572240736
Energy: 0.603200172844335
Energy: 0.6455569453441473
Energy: 1.037071428703786
Energy: 0.6455569453433604
Energy: 0.6159410478012386
Energy: 0.6476703809558789
Energy: 1.1853857459952206
Energy: 0.6476703809558789
Energy: 0.8583554143252582
Energy: 0.7095712269529727
Energy: 0.6464707849319803
Energy: 0.7095712269513988
Energy: 0.6140224827186922
Energy: 0.6285199814409695
Energy: 1.012699080650906
Energy: 0.6285199814401825
Energy: 0.8633876991304482
Energy: 0.6451184077125379
Energy: 0.6124536479918096
Energy: 0.6451184077156855
Energy: 0.6158859967473588
Energy: 0.646250134690142
Energy: 0.9055891759176424
Energy: 0.6462501346869942
Energy: 0.8563902496555343
Energy: 0.7107783685118128
Energy: 0.614398875808417
Energy: 0.7107783685118128
Energy: 0.613947185857252
Energy: 0.645776604953806
Energy: 0.5999803308706995
Energy: 0.645776604953806
Energy: 0.8784119156561256
Energy: 0.6451490142211898
Energy: 0.6187562852831855
Energy: 0.6451490142211898
Energy: 0.6483565191037715
Energy: 0.6466939720323741
Energy: 0.5877502105052882
Energy: 0.6466939722730644
Energy: 1.1861846814531098
Energy: 0.6665566352495409
Energy: 0.6145054875263579
Energy: 0.6665566352330156
Energy: 1.0343366995721954
Energy: 0.6455932222576766
Energy: 0.6003564944375406
Energy: 0.6455932222576766
Energy: 1.0444605175050148
Energy: 0.6471512957672707
Energy: 0.6186587104066292
Energy: 0.6471512957680575
Energy: 0.6487279675927142
Energy: 0.7073952454382939
Energy: 0.589525138855142
Energy: 0.707395245437507
Energy: 1.0128283343073077
Energy: 1.1714142616973928
Energy: 0.6147048033444708
Energy: 1.1714142616973928
Energy: 0.6143008761726981
Energy: 0.6451849266473675
Energy: 0.8615769800901875
Energy: 0.6451849266465807
Energy: 0.6289655273047424
Energy: 0.6470628205381146
Energy: 0.6184432563863145
Energy: 0.6470628203470004
Energy: 0.6162742306256791
Energy: 0.7080761897274616
Energy: 0.8540917425868737
Energy: 0.7080761897282485
Energy: 0.5977266975831212
Energy: 0.9483470069277201
Energy: 0.6164378291295957
Energy: 0.948347006928507
Energy: 0.6184184571654113
Energy: 0.6453256429162897
Energy: 0.8767009761775642
Energy: 0.6453256429178637
Energy: 0.601640369814598
Energy: 0.647107688360174
Energy: 0.6518596274771212
Energy: 0.647107688359387

minimum gb energy = 0.5822415029330599 eV
minimum distance =  2.33503495641159 Angstroms
sigma value = 15


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

Energy: 0.9386715372250176
Energy: 0.5756531940203532
Energy: 0.8725079298551321
Energy: 0.5756531940163534
Energy: 1.3405753489334846
Energy: 0.5726554319145567
Energy: 0.5737907379861
Energy: 0.5726554319112236
Energy: 0.599662503239575
Energy: 0.5723364439078287
Energy: 0.5297412724426338
Energy: 0.5723364439078287
Energy: 1.0497196390829286
Energy: 0.5728513556448335
Energy: 0.5739036390744057
Energy: 0.5728513556488333
Energy: 0.5718594279712188
Energy: 0.6284611856676703
Energy: 0.9016779344798909
Energy: 0.6284611929147457
Energy: 0.9028373307573779
Energy: 0.5727399904113608
Energy: 0.5737164792595715
Energy: 0.5727399904113608
Energy: 0.5736018382371054
Energy: 0.5860353403605388
Energy: 0.5580497259559494
Energy: 0.5860353403618721
Energy: 0.728925291348968
Energy: 0.5856760927730313
Energy: 0.5738313724068527
Energy: 0.5856760927710314
Energy: 0.5749176725880409
Energy: 0.5873612572875326
Energy: 0.7361935563021368
Energy: 0.5873612572855328
Energy: 0.5503768460964547
Energy: 0.5726778168752531
Energy: 0.5724801277101494
Energy: 0.5726778168779197
Energy: 0.5735738717329055
Energy: 0.5725476804641593
Energy: 1.0471817854394194
Energy: 0.5725476804654925
Energy: 0.5444087866151808
Energy: 0.5721212792711017
Energy: 0.6001224811094447
Energy: 0.5721212792737681
Energy: 0.5749781862535587
Energy: 0.5875581275032822
Energy: 1.19857977765522
Energy: 0.5875581272274177
Energy: 0.5484534706321459
Energy: 0.5733669825694675
Energy: 0.9352081560367869
Energy: 0.5733669825694675
Energy: 0.5734627778046991
Energy: 0.572534868245274
Energy: 1.1970484943007311
Energy: 0.5725348682419408
Energy: 0.7755594495250118
Energy: 0.572006000793123
Energy: 0.600213631903197
Energy: 0.5720060007937897
Energy: 0.5749965880012873
Energy: 0.5868163929543739
Energy: 1.0466449097326112
Energy: 0.5868163929477076
Energy: 0.7753021408982942
Energy: 0.6261249552754078
Energy: 0.5722857062393111
Energy: 0.6261249552220772
Energy: 0.5737480323650561
Energy: 0.5727932050314355
Energy: 0.9061869067102224
Energy: 0.5727932050327686
Energy: 0.7695734050492453
Energy: 0.5718965671246378
Energy: 0.574046335883433
Energy: 0.5718965671219712
Energy: 0.5748505473764606
Energy: 0.6000041594890335
Energy: 0.7296968998304468
Energy: 0.6000041594810341
Energy: 0.7855462181747143
Energy: 0.5862661734539945
Energy: 0.5768063725990596
Energy: 0.5862661734499947
Energy: 0.5735859603403599
Energy: 0.5726572573968495
Energy: 0.5477200805662511
Energy: 0.5726572574028491
Energy: 1.0970830353407859
Energy: 0.5717360827496416
Energy: 0.5737962662360268
Energy: 0.5717360828529695
Energy: 0.6014314051406089
Energy: 0.6064121002816253
Energy: 0.5390674450870807
Energy: 0.6064121002776255
Energy: 1.0691975385643553
Energy: 0.5861196629911322
Energy: 0.5766709262615914
Energy: 0.5861196629917989
Energy: 0.9334002989619709
Energy: 0.5727819142278958
Energy: 0.5478097677093946
Energy: 0.5727819142198962
Energy: 1.193847038424331
Energy: 0.5725293454133064
Energy: 0.5738384178874955
Energy: 0.5725293454146396
Energy: 0.6013408262315555
Energy: 0.6552780173489767
Energy: 0.5396989979428645
Energy: 0.6552780173816415
Energy: 0.9227376892051147
Energy: 0.5864335046609309
Energy: 0.5769229859789256
Energy: 0.5864335046609309
Energy: 0.5734688172981325
Energy: 0.6257170896416263
Energy: 0.772906555763059
Energy: 0.625717089807557
Energy: 0.9016130561638984
Energy: 0.5723368669231613
Energy: 0.5737701008056386
Energy: 0.5723368669224947
Energy: 0.574839668690278
Energy: 0.6547751510701675
Energy: 0.7677823989987692
Energy: 0.6547751510668344
Energy: 0.5649583969228773
Energy: 0.5996058715666823
Energy: 0.5767516120238924
Energy: 0.5996058715840147
Energy: 0.5522315588830403
Energy: 0.627624201486028
Energy: 0.7833460474999642
Energy: 0.6276242014520297
Energy: 0.5483715596901589
Energy: 0.5722451554943643
Energy: 0.5753757078677422
Energy: 0.5722451554956975
Energy: 0.5750978954823734
Energy: 0.653066512750154
Energy: 1.0946760304660266
Energy: 0.6530665127481541

minimum gb energy = 0.5297412724426338 eV
minimum distance =  2.34110214599698 Angstroms
sigma value = 85


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

Energy: 0.9569432609480789
Energy: 0.575539892859745
Energy: 1.082165741607517
Energy: 0.5755398275392521
Energy: 1.3896279816559292
Energy: 0.5603736378662354
Energy: 0.521266623566323
Energy: 0.5603736378668137
Energy: 0.9233145560174395
Energy: 0.571937658398052
Energy: 0.6883243138872654
Energy: 0.5719376583974738
Energy: 1.1187679877085956
Energy: 0.5611099826259354
Energy: 0.5210276702356834
Energy: 0.5611099826259354
Energy: 0.64447054514615
Energy: 0.5318107451047672
Energy: 0.4888311540641299
Energy: 0.5318107451065017
Energy: 0.9848652957329291
Energy: 0.5738688792674632
Energy: 0.5212411856887899
Energy: 0.5738688792680414
Energy: 0.6052806794574415
Energy: 0.5794737636309057
Energy: 0.5746185737471963
Energy: 0.5794737636297493
Energy: 0.8510024397820771
Energy: 0.5595869310952581
Energy: 0.5318696399363239
Energy: 0.5595869310964144
Energy: 0.5314013640023368
Energy: 0.5395258293882715
Energy: 0.7396994425518076
Energy: 0.5395258293888497
Energy: 0.7044854782466426
Energy: 0.5728260743342373
Energy: 0.6046618431916676
Energy: 0.5728260743336592
Energy: 0.5217868938679797
Energy: 0.5600336685559455
Energy: 1.0595188032539704
Energy: 0.5600336685542109
Energy: 0.53830287069988
Energy: 0.5593595196463317
Energy: 0.643413180696421
Energy: 0.5593595196469099
Energy: 0.5208405868772086
Energy: 0.5396737582117478
Energy: 1.120695771914921
Energy: 0.5396737582123259
Energy: 0.45383735686615834
Energy: 0.5732775496152153
Energy: 0.9205024443733109
Energy: 0.5732775496146371
Energy: 0.5219647764153109
Energy: 0.5606400575228707
Energy: 1.2546108335610764
Energy: 0.5606400575228707
Energy: 0.4573493631376472
Energy: 0.5594371462591278
Energy: 0.8872129360376503
Energy: 0.5594371462608623
Energy: 0.5210289136713747
Energy: 0.5406536189993362
Energy: 1.187119477637954
Energy: 0.5406536189981798
Energy: 0.6649420091307839
Energy: 0.5708188873488169
Energy: 0.920703933810311
Energy: 0.5708188872476895
Energy: 0.5219659276262961
Energy: 0.5611867755598395
Energy: 1.1187057759369954
Energy: 0.5611867755604176
Energy: 0.6681998744641849
Energy: 0.5599633942342612
Energy: 0.6431077119001488
Energy: 0.5599633942336831
Energy: 0.5215833719249925
Energy: 0.5504656646931587
Energy: 0.9843367490778003
Energy: 0.5504656646931587
Energy: 0.7414463355345869
Energy: 0.5592882366388737
Energy: 0.604744269632643
Energy: 0.5592882366388737
Energy: 0.5330712690649232
Energy: 0.5597143175424818
Energy: 0.8513920532803573
Energy: 0.5597143175419037
Energy: 0.769291203214867
Energy: 0.5796384989558793
Energy: 0.5320500017080959
Energy: 0.5796384989553011
Energy: 0.6050738317571459
Energy: 0.5595360162847434
Energy: 0.7038727395820079
Energy: 0.5595360162853215
Energy: 1.0385334956073025
Energy: 0.5593412455373363
Energy: 0.5232726443762749
Energy: 0.5593412455379145
Energy: 0.6437323758284773
Energy: 0.5593316750494658
Energy: 0.5404609728321664
Energy: 0.559331675050044
Energy: 1.0600244259763814
Energy: 0.5793718863654359
Energy: 0.5211060967453682
Energy: 0.5793718863642796
Energy: 0.9198974672139215
Energy: 0.5705046085680424
Energy: 0.4539855254876413
Energy: 0.5705046085657298
Energy: 1.2620877750648385
Energy: 0.5597204340575902
Energy: 0.5233407819472231
Energy: 0.5597204340570121
Energy: 0.9534833733324872
Energy: 0.5706865071883566
Energy: 0.45695012912549116
Energy: 0.5706865074247234
Energy: 1.1600635712223781
Energy: 0.5795783923837531
Energy: 0.5215258821816001
Energy: 0.5795783923901129
Energy: 0.9198443041429674
Energy: 0.5706321780332061
Energy: 0.4504889567303223
Energy: 0.5706321780326279
Energy: 1.124540862135164
Energy: 0.5595253148978216
Energy: 0.5232846727051964
Energy: 0.5595253148983999
Energy: 0.6439011870908327
Energy: 0.5594295240329005
Energy: 0.6682202684482098
Energy: 0.5594295241398359
Energy: 0.88090373176391
Energy: 0.5896837399628148
Energy: 0.5226941737833263
Energy: 0.5896837398998204
Energy: 0.605111312772083
Energy: 0.5593274204406232
Energy: 0.7466651568028857
Energy: 0.5593274204412014
Energy: 0.8510596557530598
Energy: 0.5596838585089066
Energy: 0.5347685958714258
Energy: 0.5596838585071721
Energy: 0.5331264627613106
Energy: 0.7891670386027376
Energy: 0.7694104581275657
Energy: 0.7891670386015811
Energy: 0.5685541374354917
Energy: 0.5993797087869513
Energy: 0.606486257935362
Energy: 0.5993797087869513
Energy: 0.525222537458419
Energy: 0.559266359172616
Energy: 1.0372692731108824
Energy: 0.5592663591737724
Energy: 0.5405202032741444
Energy: 0.5592810237892194
Energy: 0.6453912972120943
Energy: 0.5592810237863286
Energy: 0.5220973657281157
Energy: 0.7888430600772214
Energy: 1.0596907096088624
Energy: 0.7888430600760651

minimum gb energy = 0.4504889567303223 eV
minimum distance =  2.29279608982718 Angstroms
sigma value = 113


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

Energy: 0.018592459701506373
Energy: 0.019035699699967185
Energy: 0.7432613129566182
Energy: 0.01903569970085612
Energy: 0.7432705379802974
Energy: -0.51904854908029
Energy: -0.5189319687749199
Energy: -0.5190485490820185
Energy: 0.018592459701506373
Energy: 0.019035699699967185
Energy: 0.7432620614696789
Energy: 0.01903569970085612
Energy: 0.7432705379807418
Energy: -0.5190485490811295
Energy: -0.5189319687744754
Energy: -0.51904854908029
Energy: 0.018592459701506373
Energy: 0.019035699699967185
Energy: 0.7432562706513262
Energy: 0.01903569970085612
Energy: 0.7432705379807418
Energy: -0.5190485490811295
Energy: -0.5189319687753644
Energy: -0.5190485490806851

minimum gb energy = -0.5190485490820185 eV
minimum distance =  2.46812762523177 Angstroms
sigma value = 1