Model name: model_name=Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_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=4.242432836593572
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: 0.01643190490423465
Energy: 0.017086348571439383
Energy: 1.1234106432156143
Energy: 0.017086348571439383
Energy: 0.017086348571439383
Energy: 1.2128735610659587
Energy: 0.017086348571439383
Energy: 1.2128735610659587
Energy: 1.1234106432156143
Energy: 0.017086348571439383
Energy: 0.01643190490423465
Energy: 0.017086348571439383
Energy: 0.017086348571439383
Energy: 1.2128735610659587
Energy: 0.017086348571439383
Energy: 1.2128735610659587

minimum gb energy = 0.01643190490423465 eV
minimum distance =  2.48771668222573 Angstroms
sigma value = 1


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

Energy: 0.9933496031077405
Energy: 1.0976076453934696
Energy: 0.8633942710468073
Energy: 1.0976076453934696
Energy: 0.9569223905703782
Energy: 1.0880530378512157
Energy: 0.9569374723830545
Energy: 1.0880530378504534
Energy: 0.9005110650282374
Energy: 1.0848119412347745
Energy: 0.9476004855588646
Energy: 1.0848119412347745
Energy: 0.9371834742383091
Energy: 1.1063007727291032
Energy: 0.9477866998993585
Energy: 1.1063007727298657
Energy: 0.9418606035657745
Energy: 1.100603285978478
Energy: 0.9465568115556534
Energy: 1.10060328597924
Energy: 0.894540292945596
Energy: 1.29051159589044
Energy: 0.9269230878462509
Energy: 1.29051159589044
Energy: 0.959899476599694
Energy: 1.0857891342837012
Energy: 0.8964190170142518
Energy: 1.0857891342844634
Energy: 0.8170828553074789
Energy: 1.0988278575652433
Energy: 0.9166905702821749
Energy: 1.0988278575652433
Energy: 0.9495664582739665
Energy: 0.9531606707231913
Energy: 0.9537615754749907
Energy: 0.9531606707239536
Energy: 0.9289949635360698
Energy: 1.085092530556872
Energy: 0.8017823243760742
Energy: 1.085092530556872
Energy: 0.9517965466724172
Energy: 1.0447265681360098
Energy: 0.9475295589016325
Energy: 1.0447265681360098
Energy: 0.9001471324452686
Energy: 1.0987075571828637
Energy: 0.9434025999251209
Energy: 1.0987075571828637
Energy: 0.9564971297146375
Energy: 1.0844054347428844
Energy: 0.9591209004578378
Energy: 1.0844054347436467
Energy: 0.9587456398238055
Energy: 1.0922309299100872
Energy: 0.9430531355696568
Energy: 1.0922309299100872
Energy: 0.9394210735226596
Energy: 1.0983369476819276
Energy: 0.9487331132137107
Energy: 1.0983369476819276
Energy: 0.949581853792871
Energy: 1.097628999172647
Energy: 0.9483655388665213
Energy: 1.097628999172647
Energy: 0.9478036339752254
Energy: 1.0847731898739161
Energy: 0.8747014808045747
Energy: 1.0847731898746784
Energy: 0.9568532630392613
Energy: 1.0840193812186032
Energy: 0.9564482466287919
Energy: 1.0840193812186032
Energy: 0.8576019653387773
Energy: 1.099244324072759
Energy: 0.9479253843861094
Energy: 1.0992443240735212
Energy: 0.9616770019781503
Energy: 0.9526148773450079
Energy: 0.9494074864879081
Energy: 0.9526148773450079
Energy: 0.9261519463901178
Energy: 1.0846559516239502
Energy: 0.8010444003843996
Energy: 1.0846559516239502
Energy: 0.9480183939172417
Energy: 1.1065100386272144
Energy: 0.9406218325582824
Energy: 1.1065100386272144
Energy: 0.9486487640692332
Energy: 1.1008790266412989
Energy: 0.8797312214077976
Energy: 1.1008790266412989
Energy: 0.9350981703587944
Energy: 1.0845196378947533
Energy: 0.8955710537728475
Energy: 1.0845196378947533
Energy: 0.8964885079492806
Energy: 1.2939387152660637
Energy: 0.959563719287595
Energy: 1.2939387152660637
Energy: 0.937720313555577
Energy: 1.0991372752802753
Energy: 0.8806134754818777
Energy: 1.0991372752810378
Energy: 0.939239797655731
Energy: 1.088840950310207
Energy: 0.9473135383260813
Energy: 1.0888409503094447
Energy: 0.8701649765753929
Energy: 1.0839340655103582
Energy: 0.9486454478640411
Energy: 1.0839340655111207
Energy: 0.9543167147348943
Energy: 1.0947321694211796
Energy: 0.9517130377505213
Energy: 1.094732169421942
Energy: 0.9625682732645072
Energy: 1.098341714821887
Energy: 0.9001434138694888
Energy: 1.0983417148226493
Energy: 0.9602799723805295
Energy: 1.0908538782636747
Energy: 0.9548791418688244
Energy: 1.0908538782644368
Energy: 0.9403079755546931
Energy: 1.085768428620069
Energy: 0.9587757689831656
Energy: 1.0857684286208316
Energy: 0.9410786851761221
Energy: 1.1065123838446038
Energy: 0.9500956397949519
Energy: 1.1065123838446038

minimum gb energy = 0.8010444003843996 eV
minimum distance =  2.28503844188844 Angstroms
sigma value = 1


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

Energy: 1.0637769182828418
Energy: 1.1840521729873037
Energy: 0.9600829832568253
Energy: 1.1840521729873037
Energy: 1.0096227578059473
Energy: 1.121520477186589
Energy: 1.01105073488393
Energy: 1.12152047718572
Energy: 0.9278880552360432
Energy: 1.1830228335413442
Energy: 1.0055656159845767
Energy: 1.1830228335422133
Energy: 1.0039519191206197
Energy: 1.1035707811567432
Energy: 0.9530466807906006
Energy: 1.1035707811576125
Energy: 1.0035820509315732
Energy: 1.1610796552729852
Energy: 1.010688394904142
Energy: 1.1610796552729852
Energy: 0.9890429392741157
Energy: 1.1610776619551921
Energy: 0.9761046069348879
Energy: 1.1610776619551921
Energy: 1.0093990409908211
Energy: 1.0144032718862093
Energy: 0.9804128532435281
Energy: 1.0144032718853402
Energy: 0.8538824229087983
Energy: 1.1833649967749065
Energy: 0.959689892832372
Energy: 1.1833649967749065
Energy: 1.003796747594174
Energy: 1.0255070499483123
Energy: 1.015483099625064
Energy: 1.0255070499491814
Energy: 1.0066069779731257
Energy: 1.1833333225336866
Energy: 0.8691075344641608
Energy: 1.1833333225336866
Energy: 1.0091053788289186
Energy: 1.104803564703018
Energy: 1.019851528856448
Energy: 1.104803564703018
Energy: 0.9305037725062073
Energy: 1.1720965913640171
Energy: 1.0142582565515559
Energy: 1.1720965913640171
Energy: 1.0212028992152324
Energy: 1.1615659678025891
Energy: 1.003075205793307
Energy: 1.1615659678025891
Energy: 1.0223020166674899
Energy: 1.161552256555843
Energy: 0.9741429240366711
Energy: 1.161552256555843
Energy: 0.9303962648964625
Energy: 1.1719406939666501
Energy: 1.0048811973616507
Energy: 1.1719406939666501
Energy: 1.009219938781305
Energy: 1.1049501839920064
Energy: 1.011547796691819
Energy: 1.1049501839920064
Energy: 1.0069542140262373
Energy: 1.1835916738130978
Energy: 0.8819515664396308
Energy: 1.1835916738130978
Energy: 1.003743942594935
Energy: 1.025567361548641
Energy: 1.0156620172198694
Energy: 1.0255673615503795
Energy: 0.8536511068902587
Energy: 1.1835189561281436
Energy: 0.9600410446334297
Energy: 1.1835189561281436
Energy: 1.0091827847653567
Energy: 1.1055723932610286
Energy: 0.9528545231655451
Energy: 1.1055723932618977
Energy: 0.9889196559671605
Energy: 1.1613383747236685
Energy: 0.9655912599089823
Energy: 1.1613383747236685
Energy: 1.0035768874175928
Energy: 1.1610547247807883
Energy: 1.0064323050867838
Energy: 1.1610547247807883
Energy: 1.0029015313757745
Energy: 1.1034599585712042
Energy: 0.9445993957833161
Energy: 1.1034599585712042
Energy: 0.9278264660273992
Energy: 1.1830305115922841
Energy: 1.0051669381863713
Energy: 1.183030511591415
Energy: 1.0095958590137668
Energy: 1.121007045784959
Energy: 1.011013539953829
Energy: 1.121007045784959
Energy: 1.0637769182854495
Energy: 1.1840521729873037
Energy: 0.9368629807394876
Energy: 1.1840521729864346
Energy: 1.009622757804209
Energy: 1.121520477186589
Energy: 1.0110507348821918
Energy: 1.121520477186589
Energy: 0.9278880552351741
Energy: 1.1830228335413442
Energy: 1.0209838634029718
Energy: 1.1830228335422133
Energy: 1.0039519191214887
Energy: 1.1035707811576125
Energy: 0.9552872448561156
Energy: 1.1035707811576125

minimum gb energy = 0.8536511068902587 eV
minimum distance =  2.27466657924438 Angstroms
sigma value = 25


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

Energy: 1.1312626826499828
Energy: 1.258419904498635
Energy: 0.9800161678704035
Energy: 1.258419904498635
Energy: 1.101241596609736
Energy: 1.1873479944989545
Energy: 1.089095799117384
Energy: 1.1873479944989545
Energy: 1.001210981119796
Energy: 1.289608170902231
Energy: 1.09330005271547
Energy: 1.2896081709012202
Energy: 1.0732678749131954
Energy: 1.213245227221505
Energy: 1.0238394481983972
Energy: 1.213245227221505
Energy: 1.0239088132017682
Energy: 1.2571322905486115
Energy: 1.0151736851022304
Energy: 1.2571322905486115
Energy: 1.0793066787942285
Energy: 1.2901019711360975
Energy: 1.0997336104306252
Energy: 1.2901019711360975
Energy: 1.1024277205789212
Energy: 1.098373260526119
Energy: 1.0585527118064406
Energy: 1.098373260526119
Energy: 1.0203622664387646
Energy: 1.262336072923472
Energy: 0.9484071702781202
Energy: 1.262336072923472
Energy: 1.058574839082528
Energy: 1.1864252410762355
Energy: 1.1025066378008435
Energy: 1.1864252410772458
Energy: 1.09690661580085
Energy: 1.2907747340864377
Energy: 1.0068022358775484
Energy: 1.290774734087448
Energy: 1.0785104103650922
Energy: 1.2581014872795828
Energy: 1.0895579281887167
Energy: 1.2581014872795828
Energy: 1.0301643588210816
Energy: 1.2597358690961835
Energy: 1.0888186106927429
Energy: 1.2597358690961835
Energy: 1.0926615665373514
Energy: 1.209845829491331
Energy: 1.0068893087126214
Energy: 1.209845829491331
Energy: 1.055413094663967
Energy: 1.1001709135994004
Energy: 1.1010277518563865
Energy: 1.1001709135994004
Energy: 0.9468278553276985
Energy: 1.2582820189491133
Energy: 0.9461212725868103
Energy: 1.2582820189491133
Energy: 1.0900150477175274
Energy: 1.098554314085521
Energy: 1.0252493052826064
Energy: 1.098554314085521
Energy: 0.9161437126084566
Energy: 1.289548322998237
Energy: 0.9164047735669083
Energy: 1.289548322998237
Energy: 1.0240544706029988
Energy: 1.2584745459613573
Energy: 1.0756162308700206
Energy: 1.2584745459613573
Energy: 1.0074170416332675
Energy: 1.21356889455728
Energy: 1.024075910783914
Energy: 1.21356889455728
Energy: 1.0983720084704884
Energy: 1.289670928992852
Energy: 1.0937429991025291
Energy: 1.289670928992852
Energy: 1.107832061315681
Energy: 1.1866412916184848
Energy: 1.091006082764527
Energy: 1.1866412916194955
Energy: 1.1292699223046323
Energy: 1.2599667269184354
Energy: 1.049140322368196
Energy: 1.2599667269184354
Energy: 1.1002439050369939
Energy: 1.193385096753943
Energy: 1.0888220409806901
Energy: 1.1933850967529327
Energy: 0.9993265716342078
Energy: 1.294128885777
Energy: 1.0967651062258144
Energy: 1.2941288857759896
Energy: 1.0890662276177696
Energy: 1.113531796628112
Energy: 1.0235769623427557
Energy: 1.1135317966291223

minimum gb energy = 0.9161437126084566 eV
minimum distance =  2.27310179954344 Angstroms
sigma value = 9


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

Energy: 1.2081757010103666
Energy: 1.3288043604622026
Energy: 1.1025910225259055
Energy: 1.3288043604622026
Energy: 1.2021716244611518
Energy: 1.3108737229655374
Energy: 1.16186870337288
Energy: 1.3108737229655374
Energy: 1.0842232955595046
Energy: 1.2268995632440665
Energy: 1.1688656207598542
Energy: 1.2268995632440665
Energy: 1.2168328021799613
Energy: 1.372857261570414
Energy: 1.0848140181968629
Energy: 1.372857261570414
Energy: 1.1990326259030255
Energy: 1.2995066959449082
Energy: 1.1067032313929572
Energy: 1.299506695943703
Energy: 1.050307005877221
Energy: 1.2118174346343373
Energy: 1.0872154863164412
Energy: 1.2118174346343373
Energy: 1.2217834248736805
Energy: 1.0373580436746033
Energy: 1.0414184672907574
Energy: 1.0373580436746033
Energy: 1.01563778557254
Energy: 1.212162181368533
Energy: 1.0964930193812148
Energy: 1.212162181368533
Energy: 1.2157404064232389
Energy: 1.300031922374918
Energy: 1.162323134327854
Energy: 1.300031922374918
Energy: 1.2193010487729774
Energy: 1.3288870250590323
Energy: 1.1295906170681214
Energy: 1.3288870250590323
Energy: 1.0933313634764135
Energy: 1.3519596241500786
Energy: 1.2097051544371886
Energy: 1.3519596241500786
Energy: 1.218132105034452
Energy: 1.2150102083388243
Energy: 1.0839752627400911
Energy: 1.2150102083388243
Energy: 1.0646987909302423
Energy: 1.2265433586848768
Energy: 0.9868783164842271
Energy: 1.2265433586848768
Energy: 1.1084008981109978
Energy: 1.3074238904163804
Energy: 1.1922404486439993
Energy: 1.3074238904163804
Energy: 1.0645911358274447
Energy: 1.2262054738290182
Energy: 1.0144630457483368
Energy: 1.226205473827813
Energy: 1.2161352337402536
Energy: 1.2147228752557435
Energy: 1.0369839623517971
Energy: 1.214722875254538
Energy: 1.1528913138180934
Energy: 1.3353370190120346
Energy: 1.1686669822223408
Energy: 1.3353370190120346
Energy: 1.195170533060688
Energy: 1.332628961042845
Energy: 1.0846651615462835
Energy: 1.332628961042845
Energy: 1.1862205774539383
Energy: 1.243283392898738
Energy: 1.1223363805613682
Energy: 1.243283392898738
Energy: 1.0678626598667984
Energy: 1.2138807045517552
Energy: 1.095319196745641
Energy: 1.2138807045517552
Energy: 1.2196512384290055
Energy: 1.248661996603219
Energy: 1.0888458143038715
Energy: 1.248661996603219

minimum gb energy = 0.9868783164842271 eV
minimum distance =  2.28222489098858 Angstroms
sigma value = 25


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

Energy: 1.1223243400844651
Energy: 1.4405945476901338
Energy: 1.2550877396544848
Energy: 1.4405945476901338
Energy: 1.096618766981159
Energy: 1.4542588153234903
Energy: 1.0731214642505957
Energy: 1.4542588153234903
Energy: 1.0752202466678988
Energy: 1.4745215629313884
Energy: 1.0728759654185065
Energy: 1.4745215629313884
Energy: 1.1180423103424095
Energy: 1.44149671449342
Energy: 1.159204213508161
Energy: 1.44149671449342
Energy: 1.1616037680442064
Energy: 1.0938483126840812
Energy: 1.1754114663720416
Energy: 1.0938483126840812
Energy: 1.0790270091439158
Energy: 1.471192711553427
Energy: 1.0784922896393037
Energy: 1.4711927115549173
Energy: 1.1241698518236147
Energy: 1.2785784918630103
Energy: 1.0738783013605218
Energy: 1.2785784918630103
Energy: 1.1592043317582954
Energy: 1.4385220132419514
Energy: 1.1251949998889976
Energy: 1.4385220132419514
Energy: 1.0729349007886742
Energy: 1.2879409332815641
Energy: 1.0980286636624281
Energy: 1.2879409332815641
Energy: 1.2200811591996001
Energy: 1.3123838976793751
Energy: 1.0756521803221575
Energy: 1.3123838976793751
Energy: 1.1397925893174683
Energy: 1.4406569389570467
Energy: 1.2330797761397934
Energy: 1.4406569389570467
Energy: 1.0728419495402899
Energy: 1.1301596367537035
Energy: 1.224797787786718
Energy: 1.130159636755194
Energy: 1.182524538285796
Energy: 1.4748526021701562
Energy: 1.0743032124687737
Energy: 1.4748526021701562
Energy: 1.0737177934631505
Energy: 1.4405368413667305
Energy: 1.1190416642734167
Energy: 1.4405368413667305
Energy: 1.1226933794746687
Energy: 1.4402301008975436
Energy: 1.1612273149629837
Energy: 1.4402301008975436
Energy: 1.0948103534909146
Energy: 1.4752482713829305
Energy: 1.07864875721775
Energy: 1.4752482713829305
Energy: 1.073747077746806
Energy: 1.1752336112593798
Energy: 1.2246857353506564
Energy: 1.1752336112593798

minimum gb energy = 1.0728419495402899 eV
minimum distance =  2.32101830837775 Angstroms
sigma value = 17


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

Energy: 1.3034234656107881
Energy: 1.2991711241732147
Energy: 1.3146880759444315
Energy: 1.2991711241732147
Energy: 1.2654855564190783
Energy: 1.2688364264473895
Energy: 1.1185116863905562
Energy: 1.2688364264490777
Energy: 1.1924710830170626
Energy: 1.2785108985070754
Energy: 1.118098230708507
Energy: 1.2785108985079197
Energy: 1.1217221562278872
Energy: 1.2988377990910782
Energy: 1.2619648750951344
Energy: 1.2988377990936109
Energy: 1.2406760366057081
Energy: 1.3674302329048633
Energy: 1.184427843647678
Energy: 1.3674302329048633
Energy: 1.1427182277528685
Energy: 1.292689873565619
Energy: 1.1706563917376271
Energy: 1.292689873565619
Energy: 1.124821265490977
Energy: 1.266922146778653
Energy: 1.1234175895927168
Energy: 1.2669221467769645
Energy: 1.1727597122508286
Energy: 1.2929698888474415
Energy: 1.137170866144939
Energy: 1.2929698888457528
Energy: 1.1450125561780087
Energy: 1.3418748199383477
Energy: 1.2279418468114371
Energy: 1.3418748199383477
Energy: 1.2855216837788206
Energy: 1.2418854998346562
Energy: 1.1188339581108897
Energy: 1.2418854998338118
Energy: 1.1254538149972306
Energy: 1.2989885244663917
Energy: 1.1972550592785136
Energy: 1.298988524467236
Energy: 1.140730886494423
Energy: 1.2679951650830623
Energy: 1.1409267528243516
Energy: 1.2679951650695547
Energy: 1.2532104184961887
Energy: 1.2988000819640402
Energy: 1.2987013337633406
Energy: 1.2988000819640402
Energy: 1.1179244402384771
Energy: 1.4561361838932465
Energy: 1.2137963032038148
Energy: 1.4561361838932465
Energy: 1.220097963064221
Energy: 1.3491096848029394
Energy: 1.1446151980187123
Energy: 1.3491096848020954
Energy: 1.1899824978303777
Energy: 1.2935365118365387
Energy: 1.1720656054459213
Energy: 1.293536511837383
Energy: 1.122780922198278
Energy: 1.3379387541907974
Energy: 1.3272043192625205
Energy: 1.3379387541899534
Energy: 1.1965321800453144
Energy: 1.2839729444685506
Energy: 1.1425972883744546
Energy: 1.2839729444693946
Energy: 1.2769050317847976
Energy: 1.3521252286601153
Energy: 1.1862635394988923
Energy: 1.3521252286609597
Energy: 1.2739011228785706
Energy: 1.2934513312598954
Energy: 1.1221408836712647
Energy: 1.2934513312590512
Energy: 1.146526648506872
Energy: 1.2840669808801437
Energy: 1.192129310915205
Energy: 1.2840669808801437
Energy: 1.1225958249923003
Energy: 1.29375692645388
Energy: 1.2865104936020126
Energy: 1.2937569264505033
Energy: 1.2495195476710559
Energy: 1.299275269310905
Energy: 1.119877984817738
Energy: 1.2992752693117493
Energy: 1.2282490196141433
Energy: 1.3466963027249423
Energy: 1.1932836492422794
Energy: 1.3466963027249423
Energy: 1.2964409698319872
Energy: 1.2783659900945818
Energy: 1.2498215305390497
Energy: 1.2783659900945818
Energy: 1.2813107423837367
Energy: 1.299696949118384
Energy: 1.121206868325458
Energy: 1.2996969491192283
Energy: 1.1497068600252291
Energy: 1.2929717765104913
Energy: 1.333338215387509
Energy: 1.2929717765104913
Energy: 1.1709846457704407
Energy: 1.3104067396992893
Energy: 1.1935512488129396
Energy: 1.3104067397001338
Energy: 1.3280164035808462
Energy: 1.442153076790185
Energy: 1.1244050575239708
Energy: 1.4421530767910289
Energy: 1.1367796099846046
Energy: 1.3421414400544074
Energy: 1.1973208582881465
Energy: 1.342141440052719

minimum gb energy = 1.1179244402384771 eV
minimum distance =  2.26476207614919 Angstroms
sigma value = 53


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

Energy: 1.1175641450882847
Energy: 1.115352150781666
Energy: 1.3490806252581025
Energy: 1.115352150781666
Energy: 1.2641092154631888
Energy: 1.2289163810616646
Energy: 1.136883854256987
Energy: 1.2289163810616646
Energy: 1.118488850064158
Energy: 1.1154889103002301
Energy: 1.1366024732702227
Energy: 1.1154889103002301
Energy: 1.118414674026957
Energy: 1.1155934121804008
Energy: 1.1068443991500527
Energy: 1.1155934121804008
Energy: 1.2640946776281174
Energy: 1.2288672121445017
Energy: 1.155858323803505
Energy: 1.2288672121445017
Energy: 1.1175641450882847
Energy: 1.115352150781666
Energy: 1.2524356265222034
Energy: 1.1153521507797224
Energy: 1.2641092154631888
Energy: 1.2289163810616646
Energy: 1.212371692743796
Energy: 1.2289163810616646
Energy: 1.118488850064158
Energy: 1.1154889103002301
Energy: 1.106750652594022
Energy: 1.1154889103002301
Energy: 1.118414674026957
Energy: 1.1155934121804008
Energy: 1.1367373899936835
Energy: 1.1155934121804008
Energy: 1.2640946776281174
Energy: 1.228867212142558
Energy: 1.2613099891446127
Energy: 1.2288672121445017
Energy: 1.1175641450882847
Energy: 1.115352150781666
Energy: 1.2056223175998584
Energy: 1.1153521507797224
Energy: 1.2641092154631888
Energy: 1.2289163810616646
Energy: 1.2068032268852114
Energy: 1.2289163810616646
Energy: 1.118488850064158
Energy: 1.1154889103002301
Energy: 1.2689943302775324
Energy: 1.1154889103002301

minimum gb energy = 1.106750652594022 eV
minimum distance =  2.31025234142893 Angstroms
sigma value = 9


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

Energy: 1.2310758858905952
Energy: 1.2608127005129022
Energy: 1.4347736177719637
Energy: 1.2608127005129022
Energy: 1.3432059783444
Energy: 1.2452046084893813
Energy: 1.1971453498716178
Energy: 1.2452046084893813
Energy: 1.1475812863478079
Energy: 1.21168677704745
Energy: 1.163920763451467
Energy: 1.21168677704745
Energy: 1.2050718081898324
Energy: 1.530767358940008
Energy: 1.157873698738541
Energy: 1.530767358940008
Energy: 1.2498993566934928
Energy: 1.2745481497919127
Energy: 1.1750684246132805
Energy: 1.2745481497911935
Energy: 1.2139485878296845
Energy: 1.211286364324879
Energy: 1.2000604103959325
Energy: 1.211286364324879
Energy: 1.3775341614333303
Energy: 1.266873855948269
Energy: 1.2103334910820283
Energy: 1.266873855948269
Energy: 1.1630578642690264
Energy: 1.5351101811322267
Energy: 1.267636119542616
Energy: 1.5351101811322267
Energy: 1.1500051138908773
Energy: 1.5455075870598864
Energy: 1.223899568599578
Energy: 1.5455075870598864
Energy: 1.1484390061101941
Energy: 1.240130401433611
Energy: 1.198332242112279
Energy: 1.240130401433611
Energy: 1.1651151102993371
Energy: 1.2223685574853178
Energy: 1.3144538913612946
Energy: 1.222368557488195
Energy: 1.3337165630240584
Energy: 1.3407327259153836
Energy: 1.1526566017950353
Energy: 1.3407327258808552
Energy: 1.1495213341252462
Energy: 1.2405813641197176
Energy: 1.2958377531917156
Energy: 1.2405813641233145
Energy: 1.2109153665555026
Energy: 1.5382011718868507
Energy: 1.2360909281992873
Energy: 1.5382011718868507
Energy: 1.2109341577014254
Energy: 1.3777123714513646
Energy: 1.2299332092171893
Energy: 1.3777123714528032
Energy: 1.1533794799794497
Energy: 1.54494026024453
Energy: 1.195222886598279
Energy: 1.5449402602452493
Energy: 1.2064679368264895
Energy: 1.3778313859763662
Energy: 1.1641505053343526
Energy: 1.377831385975647
Energy: 1.1683028569087208
Energy: 1.2676268795024188
Energy: 1.3137037342450828
Energy: 1.2676268795024188
Energy: 1.3176364207007323
Energy: 1.2400387778093018
Energy: 1.2160170460540312
Energy: 1.2400387778107405
Energy: 1.1920540008769656
Energy: 1.258542008857203
Energy: 1.2289737973601174
Energy: 1.2585420088579222
Energy: 1.2118074083562997
Energy: 1.529344022351619
Energy: 1.207440497068569
Energy: 1.529344022351619
Energy: 1.228093909252955
Energy: 1.2833324054754096
Energy: 1.1479740498316742
Energy: 1.2833324054761288
Energy: 1.2188648482667936
Energy: 1.4035705990174872
Energy: 1.150201879624219
Energy: 1.4035705990167677
Energy: 1.3731057016646318
Energy: 1.2051660573709613
Energy: 1.1624894323157218
Energy: 1.2051660573716807
Energy: 1.1975241634504052
Energy: 1.3403363216965287
Energy: 1.4175244391201425
Energy: 1.3403363217014985
Energy: 1.178774033460607
Energy: 1.2118003791005079
Energy: 1.1479029300181933
Energy: 1.2118003791012275
Energy: 1.2324320731417155
Energy: 1.3798802539567356
Energy: 1.2046047587171809
Energy: 1.3798802539581743
Energy: 1.2528182512667232
Energy: 1.5307178954612217
Energy: 1.205179440267661
Energy: 1.5307178954605025
Energy: 1.202805157364324
Energy: 1.2111913022973475
Energy: 1.1464866650161902
Energy: 1.2111913022973475
Energy: 1.196934754774791
Energy: 1.3433530556473545
Energy: 1.420411077542368
Energy: 1.343353055648793
Energy: 1.3791897892311598
Energy: 1.2064847619574188
Energy: 1.161851509929665
Energy: 1.2064847619617347
Energy: 1.1976072461366947
Energy: 1.2698565601022684
Energy: 1.148105135909427
Energy: 1.2698565601022684
Energy: 1.1974924988538755
Energy: 1.2837024202141067
Energy: 1.1475092022654672
Energy: 1.2837024202133875
Energy: 1.2032830592036645
Energy: 1.5308013043706405
Energy: 1.2046353926986413
Energy: 1.5308013043706405
Energy: 1.1641690322864677
Energy: 1.4143219473175759
Energy: 1.377382826762897
Energy: 1.4143219473175759

minimum gb energy = 1.1464866650161902 eV
minimum distance =  2.27390818882532 Angstroms
sigma value = 73


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

Energy: 1.2653553554672166
Energy: 1.2655048358769636
Energy: 1.291508602153275
Energy: 1.2655048358769636
Energy: 1.3038396721081136
Energy: 1.337618595137708
Energy: 1.2111079182187985
Energy: 1.3376185951365671
Energy: 1.1658908197181517
Energy: 1.2086469803017663
Energy: 1.1853652513653836
Energy: 1.2086469803017663
Energy: 1.1265038354345107
Energy: 1.430233557153309
Energy: 1.1901917803143183
Energy: 1.430233557153309
Energy: 1.1732333105521449
Energy: 1.3104196428539163
Energy: 1.1866985307193172
Energy: 1.3104196428550576
Energy: 1.197552501582557
Energy: 1.2549062348633326
Energy: 1.2188401316781419
Energy: 1.2549062348633326
Energy: 1.3981319064627145
Energy: 1.3528691026089552
Energy: 1.1589862133616011
Energy: 1.3528691026089552
Energy: 1.1550159315801625
Energy: 1.2311916486197547
Energy: 1.370079352513687
Energy: 1.2311916486197547
Energy: 1.2899792375774684
Energy: 1.232304798169178
Energy: 1.229808437451844
Energy: 1.232304798169178
Energy: 1.1621267981041534
Energy: 1.253535019861144
Energy: 1.1617933824514797
Energy: 1.2535350198622852
Energy: 1.1520559890941193
Energy: 1.2321669975988738
Energy: 1.258099681559334
Energy: 1.2321669975988738
Energy: 1.2700418683111423
Energy: 1.4282032625802217
Energy: 1.125900548038888
Energy: 1.4282032625802217
Energy: 1.1902470837017802
Energy: 1.3008841095496737
Energy: 1.367278801516625
Energy: 1.3008841095496737
Energy: 1.2815491686326663
Energy: 1.4083788425258275
Energy: 1.1965139078769678
Energy: 1.4083788425269688
Energy: 1.1243025038683059
Energy: 1.4109653364951213
Energy: 1.3739138634665424
Energy: 1.4109653364951213
Energy: 1.257556600109352
Energy: 1.231351691072353
Energy: 1.1555432512981354
Energy: 1.231351691072353
Energy: 1.2704614447097269
Energy: 1.2673432043204085
Energy: 1.1660571238470714
Energy: 1.2673432043192672
Energy: 1.21754653755667
Energy: 1.4209582241937786
Energy: 1.1618200910015626
Energy: 1.42095822419492
Energy: 1.122394466993
Energy: 1.2313778820028807
Energy: 1.154542575180308
Energy: 1.2313778820028807
Energy: 1.2110147472783805
Energy: 1.2881614085510722
Energy: 1.4436618775064416
Energy: 1.2881614085156923
Energy: 1.305821972874806
Energy: 1.2427364086556167
Energy: 1.1966114929725993
Energy: 1.2427364086544754
Energy: 1.2068918093946266
Energy: 1.3093491959496477
Energy: 1.2848370270234708
Energy: 1.3093491959496477

minimum gb energy = 1.122394466993 eV
minimum distance =  2.28895302995089 Angstroms
sigma value = 7


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

Energy: 1.2664068914096578
Energy: 1.2623688679059188
Energy: 1.432415753277607
Energy: 1.2623688679059188
Energy: 1.3520075411996673
Energy: 1.2048585371559366
Energy: 1.20437567319393
Energy: 1.2048585371559366
Energy: 1.1778802802527697
Energy: 1.4679560813797297
Energy: 1.1672683981916114
Energy: 1.4679560813797297
Energy: 1.1427083997035101
Energy: 1.3369494365322663
Energy: 1.2050120504544888
Energy: 1.3369494365314594
Energy: 1.1831934701556035
Energy: 1.2890055729439192
Energy: 1.1744397562942102
Energy: 1.2890055729431122
Energy: 1.1811223916048306
Energy: 1.2635902478434955
Energy: 1.273883344376722
Energy: 1.2635902478434955
Energy: 1.3866603046823585
Energy: 1.4364615421096691
Energy: 1.1615687166792725
Energy: 1.4364615421112834
Energy: 1.1807424240685371
Energy: 1.2632392784257664
Energy: 1.4097164621144787
Energy: 1.2632392784257664
Energy: 1.2894133805362176
Energy: 1.3164802612022968
Energy: 1.2033395181686042
Energy: 1.3164802612022968
Energy: 1.1796866514757633
Energy: 1.296544863182106
Energy: 1.2704515044339315
Energy: 1.296544863182106
Energy: 1.148106717381574
Energy: 1.4672295957514854
Energy: 1.1617091437429439
Energy: 1.4672295957514854
Energy: 1.2328101945094334
Energy: 1.2892657494329898
Energy: 1.1585959903083973
Energy: 1.2892657494329898
Energy: 1.2313029854776485
Energy: 1.2639894481325398
Energy: 1.1620250920162825
Energy: 1.2639894481325398
Energy: 1.1678023362428163
Energy: 1.2474066032529907
Energy: 1.1576636480654618
Energy: 1.2474066032521838
Energy: 1.1809109660022814
Energy: 1.3737657209466791
Energy: 1.3903679373170008
Energy: 1.3737657209466791
Energy: 1.3372316485628035
Energy: 1.2471409046266462
Energy: 1.1995253885600625
Energy: 1.2471409046274533
Energy: 1.1818524593606718
Energy: 1.2895650895605062
Energy: 1.3235843605541164
Energy: 1.2895650895605062
Energy: 1.181681322904446
Energy: 1.2495275008270765
Energy: 1.1580873570820562
Energy: 1.2495275008278837
Energy: 1.1805015748715793
Energy: 1.2630386371284779
Energy: 1.161923569734202
Energy: 1.2630386371284779
Energy: 1.1793504469114913
Energy: 1.2887247533745267
Energy: 1.158598108197964
Energy: 1.2887247533745267
Energy: 1.147445788693139
Energy: 1.4213988679214702
Energy: 1.203622102495094
Energy: 1.4213988679174352
Energy: 1.1799656143469546
Energy: 1.4614915313046473
Energy: 1.3499223645358005
Energy: 1.461491531311067
Energy: 1.3367051162598802
Energy: 1.4319085088580636
Energy: 1.1613729007471234
Energy: 1.4319085088556427
Energy: 1.2694427500230454
Energy: 1.2631432688705078
Energy: 1.2652134987491535
Energy: 1.2631432688705078
Energy: 1.2131251699139396
Energy: 1.288877859228734
Energy: 1.161860893722096
Energy: 1.2888778592295411
Energy: 1.1419500164791025
Energy: 1.4657360252225367
Energy: 1.1661038953158227
Energy: 1.4657360252225367
Energy: 1.1812818916258314
Energy: 1.2964346016117765
Energy: 1.2453098124466553
Energy: 1.2964346016117765
Energy: 1.1432200119292937
Energy: 1.2891899110180025
Energy: 1.2062559297438622
Energy: 1.2891899110180025
Energy: 1.1770316256749422
Energy: 1.2627831977684478
Energy: 1.2380500200400824
Energy: 1.2627831977684478
Energy: 1.403332966954173
Energy: 1.2267085117196372
Energy: 1.2058218239881846
Energy: 1.2267085117188303
Energy: 1.1770302166283235
Energy: 1.2629693317276929
Energy: 1.3580171639839351
Energy: 1.2629693317285

minimum gb energy = 1.1419500164791025 eV
minimum distance =  2.27433387353961 Angstroms
sigma value = 29


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

Energy: 1.1917755642478975
Energy: 1.1973381647838939
Energy: 1.0820873154454926
Energy: 1.1973381647836439
Energy: 1.1263159848386872
Energy: 1.2122515114605137
Energy: 1.2145207836866636
Energy: 1.2122515114607948
Energy: 1.079604168465196
Energy: 1.2807353188835515
Energy: 1.1243155045142905
Energy: 1.280735318884114
Energy: 1.2156996436935814
Energy: 1.2370098318238563
Energy: 1.2146415996569697
Energy: 1.2370098318235752
Energy: 1.1901746296248976
Energy: 1.2693062873522187
Energy: 1.1197109215663654
Energy: 1.2693062873522187
Energy: 1.0804964856211923
Energy: 1.3070306959894928
Energy: 1.0802454440578892
Energy: 1.3070306959894928
Energy: 1.079958685201888
Energy: 1.2691105708253063
Energy: 1.1902128628944868
Energy: 1.2691105708255563
Energy: 1.2140100057966774
Energy: 1.2376865022561143
Energy: 1.2126886775983812
Energy: 1.2376865022553023
Energy: 1.12552891279596
Energy: 1.2810367536716822
Energy: 1.124770191348945
Energy: 1.2810367536714011

minimum gb energy = 1.079604168465196 eV
minimum distance =  2.30324155258011 Angstroms
sigma value = 5


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

Energy: 1.149289569712876
Energy: 1.1710279512259505
Energy: 1.0854476539087214
Energy: 1.171027951225188
Energy: 1.3964108427808046
Energy: 1.1259953218748828
Energy: 1.0958553817988979
Energy: 1.1259953218748828
Energy: 1.0842236593046581
Energy: 1.1532193419442085
Energy: 1.2785712178298534
Energy: 1.1532193419442085
Energy: 1.078716108598809
Energy: 1.206356111175423
Energy: 1.1249851284063253
Energy: 1.2063561111761854
Energy: 1.1100747200378434
Energy: 1.2143508581997848
Energy: 1.274827053132416
Energy: 1.2143508581997848
Energy: 1.1160730428421812
Energy: 1.173472748956372
Energy: 1.1017925463386684
Energy: 1.1734727489571346
Energy: 1.0848632003434668
Energy: 1.2138651254366595
Energy: 1.086868675848609
Energy: 1.2138651254374218
Energy: 1.0856727064245535
Energy: 1.1737001317858393
Energy: 1.0907469588421932
Energy: 1.173700131785077
Energy: 1.1125283829673098
Energy: 1.213368233378594
Energy: 1.0768026710558989
Energy: 1.2133682333801188
Energy: 1.1126978302725574
Energy: 1.2160331407605816
Energy: 1.0715356875997106
Energy: 1.2160331407605816
Energy: 1.0949748434107016
Energy: 1.2028120504555104
Energy: 1.0880992517161279
Energy: 1.2028120504532236
Energy: 1.086839847829074
Energy: 1.142691851043896
Energy: 1.1747352228479997
Energy: 1.142691851044658
Energy: 1.1219891912798914
Energy: 1.1718360857027508
Energy: 1.1706139256613701
Energy: 1.1718360857027508
Energy: 1.1123274361313
Energy: 1.171317406914486
Energy: 1.3803327794411617
Energy: 1.1713174069152483
Energy: 1.30696877332048
Energy: 1.1156554151775817
Energy: 1.0880910511653965
Energy: 1.1156554151775817
Energy: 1.1228253544800444
Energy: 1.153141820714615
Energy: 1.1008502796523632
Energy: 1.1531418207153772
Energy: 1.275385772567178
Energy: 1.139499582921852
Energy: 1.101466335363452
Energy: 1.1394995829233765
Energy: 1.112118322548439
Energy: 1.1719935783585687
Energy: 1.171957451791035
Energy: 1.1719935783578066
Energy: 1.1113949892583301
Energy: 1.2180552431362417
Energy: 1.0968543707881286
Energy: 1.218055243137004
Energy: 1.0848149324615506
Energy: 1.2326589867767843
Energy: 1.1285313649802788
Energy: 1.232658986776022
Energy: 1.0721227689566433
Energy: 1.198989001361234
Energy: 1.1218074975844121
Energy: 1.1989890013673323
Energy: 1.1110914847876576
Energy: 1.2134780027006902
Energy: 1.1110211165969677
Energy: 1.2134780027006902
Energy: 1.0988003754707405
Energy: 1.1728034832750758
Energy: 1.0721951967090562
Energy: 1.1728034832743135
Energy: 1.1739913188715896
Energy: 1.2036816284903724
Energy: 1.0849448281854064
Energy: 1.2036816284903724
Energy: 1.180383003319723
Energy: 1.1573627634623378
Energy: 1.0941243857844265
Energy: 1.1573627634615753
Energy: 1.1491557898602576
Energy: 1.1717202954878847
Energy: 1.1118335763550347
Energy: 1.1717202954878847
Energy: 1.097762054261644
Energy: 1.1002179471951465
Energy: 1.1317472473868264
Energy: 1.1002179471928595
Energy: 1.1070462227455042
Energy: 1.2079178810033264
Energy: 1.1227994944932727
Energy: 1.2079178810018019
Energy: 1.095473291942598
Energy: 1.1252418709216554
Energy: 1.4346913066417224
Energy: 1.1252418709231802
Energy: 1.239156276691307
Energy: 1.1717122156156676
Energy: 1.1120534679351324
Energy: 1.1717122156156676
Energy: 1.1010339650251506
Energy: 1.1356043725234168
Energy: 1.2661607626248854
Energy: 1.1356043725241791
Energy: 1.2741981889733205
Energy: 1.1570087580573234
Energy: 1.0874372697670205
Energy: 1.1570087580557986
Energy: 1.123868743287062
Energy: 1.2033193582040904
Energy: 1.076503677539249
Energy: 1.2033193582033284

minimum gb energy = 1.0715356875997106 eV
minimum distance =  2.29387337703931 Angstroms
sigma value = 1


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

Energy: 1.1137559973758864
Energy: 1.1102211937666293
Energy: 1.1264933678076245
Energy: 1.1102211937666293
Energy: 1.334373581585231
Energy: 1.0559801684835242
Energy: 1.0624225448952855
Energy: 1.0559801684835242
Energy: 1.0189860246167397
Energy: 1.1108509182206003
Energy: 1.4784501710282811
Energy: 1.1108509182206003
Energy: 1.0703379496028986
Energy: 1.1632881053313555
Energy: 1.060786990482714
Energy: 1.1632881053313555
Energy: 1.0198841716160676
Energy: 1.2061217962607313
Energy: 1.2839890594172365
Energy: 1.2061217962607313
Energy: 1.0224945635863072
Energy: 1.1579761834757796
Energy: 1.060982144133617
Energy: 1.1579761834768336
Energy: 1.020748145548282
Energy: 1.2103384988402115
Energy: 1.077762479307269
Energy: 1.2103384988412658
Energy: 1.0204876939797087
Energy: 1.1140344308487742
Energy: 1.0781729236740212
Energy: 1.1140344308487742
Energy: 1.1167517947000087
Energy: 1.1083564713554417
Energy: 1.076852350304733
Energy: 1.1083564713543876
Energy: 1.107285201485141
Energy: 1.1084654231073379
Energy: 1.0803126795394435
Energy: 1.1084654231073379
Energy: 1.0205423070235848
Energy: 1.1140624384474442
Energy: 1.0707595118499753
Energy: 1.1140624384474442
Energy: 1.0200755670856796
Energy: 1.2101131262420979
Energy: 1.080377445207498
Energy: 1.2101131262420979
Energy: 1.0222036536784997
Energy: 1.1580733132543235
Energy: 1.0612134987800774
Energy: 1.1580733132522152
Energy: 1.019754000213381
Energy: 1.2053648314911989
Energy: 1.213266839840171
Energy: 1.2053648314911989
Energy: 1.0692311305322761
Energy: 1.1631035834574466
Energy: 1.0607824747491021
Energy: 1.1631035834574466
Energy: 1.0187792762368701
Energy: 1.110784093798825
Energy: 1.0757337459390086
Energy: 1.110784093798825
Energy: 1.334184817046086
Energy: 1.0559468750098813
Energy: 1.0628395245081323
Energy: 1.0559468750098813
Energy: 1.1137559973758864
Energy: 1.1102211937666293
Energy: 1.0460434792033186
Energy: 1.1102211937666293
Energy: 1.334373581585231
Energy: 1.0559801684824701
Energy: 1.0624225448952855
Energy: 1.0559801684835242
Energy: 1.0189860246156857
Energy: 1.1108509182195463
Energy: 1.4784501710293352
Energy: 1.1108509182195463
Energy: 1.0703379496028986
Energy: 1.1632881053313555
Energy: 1.060786990482714
Energy: 1.1632881053313555
Energy: 1.0198841716150135
Energy: 1.2061217962617854
Energy: 1.2839890594172365
Energy: 1.2061217962607313
Energy: 1.0224945635863072
Energy: 1.1579761834768336
Energy: 1.060982144133617
Energy: 1.1579761834768336
Energy: 1.020748145548282
Energy: 1.2103384988402115
Energy: 1.0726700870511325
Energy: 1.2103384988402115

minimum gb energy = 1.0187792762368701 eV
minimum distance =  2.30235271017874 Angstroms
sigma value = 17


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

Energy: 1.0886150290441352
Energy: 1.085682048198899
Energy: 1.2647039072245825
Energy: 1.085682048198899
Energy: 1.3148164495424646
Energy: 1.0687739740324174
Energy: 1.036015374940619
Energy: 1.0687739740311142
Energy: 1.0362712799350888
Energy: 1.0678727530746643
Energy: 1.3181768212169394
Energy: 1.0678727530746643
Energy: 1.058606126972032
Energy: 1.2505584389131084
Energy: 1.032560218644065
Energy: 1.2505584389137598
Energy: 1.017745772169353
Energy: 1.1485132731866305
Energy: 1.3159795587940764
Energy: 1.1485132731872822
Energy: 1.0066819680095558
Energy: 1.2686120816555477
Energy: 1.0539654055030914
Energy: 1.2686120816509876
Energy: 1.0361166698999147
Energy: 1.1274358765408836
Energy: 1.0921086568305207
Energy: 1.1274358765408836
Energy: 1.0179609345499678
Energy: 1.2783390598873758
Energy: 1.0166405944616006
Energy: 1.2783390598867244
Energy: 1.0802971921579214
Energy: 1.2794142106435173
Energy: 1.0580003807478968
Energy: 1.2794142106435173
Energy: 1.0843021873524588
Energy: 1.1109591524043638
Energy: 1.0360443775761379
Energy: 1.110959152405667
Energy: 1.0367814491274177
Energy: 1.249414022796457
Energy: 1.017780126766286
Energy: 1.249414022796457
Energy: 1.0390641743615006
Energy: 1.118232128621536
Energy: 1.0195399664401466
Energy: 1.118232128621536
Energy: 1.005453825285338
Energy: 1.2688822259543133
Energy: 1.0345423206053337
Energy: 1.2688822259536616
Energy: 1.0178695131475934
Energy: 1.1479941595192498
Energy: 1.1138571488300921
Energy: 1.1479941595192498
Energy: 1.0207734183296422
Energy: 1.258743579343377
Energy: 1.0940700045956686
Energy: 1.258743579343377
Energy: 1.0362974219977097
Energy: 1.0681229309011835
Energy: 1.3125324843647304
Energy: 1.068122930901835
Energy: 1.0466167917060263
Energy: 1.2610439754433347
Energy: 1.033881840320938
Energy: 1.2610439754433347
Energy: 1.0316342043542848
Energy: 1.0861034065387007
Energy: 1.0328799537489297
Energy: 1.0861034065387007
Energy: 1.2005429274596833
Energy: 1.1202180647508893
Energy: 1.0368812638546487
Energy: 1.1202180647502378
Energy: 1.0540491006602082
Energy: 1.0677181027998173
Energy: 1.1966547856472955
Energy: 1.0677181027998173
Energy: 1.4557222742534535
Energy: 1.0583061961608566
Energy: 1.0344370029649532
Energy: 1.0583061961608566
Energy: 1.034896789506525
Energy: 1.0869574217140678
Energy: 1.3234958128663574
Energy: 1.0869574217134164
Energy: 1.1885563718041883
Energy: 1.0503181100517982
Energy: 1.0536058819568335
Energy: 1.0503181100524497
Energy: 1.0370481414615806
Energy: 1.12836312737318
Energy: 1.2186515683682206
Energy: 1.12836312737318
Energy: 1.046444995030442
Energy: 1.0867808062601227
Energy: 1.0318568723362083
Energy: 1.0867808062607742
Energy: 1.0354702618082583
Energy: 1.1493358184266989
Energy: 1.0508635459908102
Energy: 1.1493358184266989
Energy: 1.1794501571986469
Energy: 1.1024825282487205
Energy: 1.0370875226719154
Energy: 1.102482528249372
Energy: 1.0970654624188987
Energy: 1.2597604842396164
Energy: 1.0191703543440067
Energy: 1.259760484240268
Energy: 1.1103513022827773
Energy: 1.1472103386407453
Energy: 1.0188854601911064
Energy: 1.1472103386400938
Energy: 1.035751354848058
Energy: 1.267056997287527
Energy: 1.0610439123432849
Energy: 1.2670569972901329
Energy: 1.0190337780476202
Energy: 1.1472090493213147
Energy: 1.0376569683177126
Energy: 1.1472090493219662
Energy: 1.0190506578734142
Energy: 1.2504176924391694
Energy: 1.0347339381667144
Energy: 1.250417692441124
Energy: 1.0371135000433431
Energy: 1.1106475847156851
Energy: 1.2136816909153796
Energy: 1.1106475847143824
Energy: 1.0630950225365077
Energy: 1.2826677617965203
Energy: 1.0568102329715905
Energy: 1.2826677617965203
Energy: 1.0171895906202537
Energy: 1.0867182601602552
Energy: 1.0509549784764434
Energy: 1.0867182601602552
Energy: 1.088286530084549
Energy: 1.1283138585168595
Energy: 1.0347329524430606
Energy: 1.1283138585181625
Energy: 1.0534652899848356
Energy: 1.269977523085338
Energy: 1.0060101176604492
Energy: 1.2699775230846866
Energy: 1.3156004409291597
Energy: 1.1493358875518296
Energy: 1.0346773082445806
Energy: 1.1493358875511783

minimum gb energy = 1.005453825285338 eV
minimum distance =  2.29937374728567 Angstroms
sigma value = 89


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

Energy: 0.9478094875027742
Energy: 0.9455865622219437
Energy: 0.9343241042751266
Energy: 0.9455865622219437
Energy: 0.9501702872629668
Energy: 0.9869283131903303
Energy: 0.9536856049515132
Energy: 0.9869283131903303
Energy: 0.9535598792675408
Energy: 1.117158049394615
Energy: 1.3729300194139247
Energy: 1.117158049394615
Energy: 0.9230928628768496
Energy: 0.9868997751876295
Energy: 0.9536394922924288
Energy: 0.9868997751876295
Energy: 0.9526483295473994
Energy: 1.0307085403197527
Energy: 1.579266369996579
Energy: 1.0307085403197527
Energy: 0.94952572711054
Energy: 0.9470208456591286
Energy: 0.9507180680085373
Energy: 0.9470208456591286
Energy: 0.9530368852995842
Energy: 1.1173894618710931
Energy: 0.9540978775701106
Energy: 1.1173894618710931
Energy: 0.9083786898902968
Energy: 1.1156702734452009
Energy: 0.9532048435418827
Energy: 1.1156702734452009
Energy: 0.9499688676184599
Energy: 1.0313138675236373
Energy: 0.9156066964243453
Energy: 1.0313138675236373
Energy: 0.9867260399842026
Energy: 1.0248802893608786
Energy: 0.9480263605532847
Energy: 1.0248802893608786
Energy: 0.9429290703007424
Energy: 0.9877991547018034
Energy: 0.9535676066171691
Energy: 0.9877991547018034
Energy: 0.9429583096210761
Energy: 1.120614766354987
Energy: 0.9530257355165251
Energy: 1.120614766354987
Energy: 0.9486958240878921
Energy: 0.9483875910901838
Energy: 0.9230331691384074
Energy: 0.9483875910901838
Energy: 0.9498969600316621
Energy: 1.029289944008854
Energy: 0.9498806129673837
Energy: 1.0292899440105585
Energy: 0.9072384975139981
Energy: 0.9484705928651157
Energy: 0.9490955952672898
Energy: 0.9484705928651157

minimum gb energy = 0.9072384975139981 eV
minimum distance =  2.31736017210737 Angstroms
sigma value = 13


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

Energy: 0.9221282700099763
Energy: 0.879525519885161
Energy: 1.1298521626070772
Energy: 0.8795255198844465
Energy: 1.374262895053182
Energy: 0.9074114696988537
Energy: 0.8632909841022864
Energy: 0.9074114696981392
Energy: 0.8820335890232208
Energy: 0.8803185537489152
Energy: 1.3113306231648953
Energy: 0.8803185537496298
Energy: 0.8880282400162549
Energy: 0.9073180738359164
Energy: 0.8598676573357482
Energy: 0.9073180738359164
Energy: 0.8897851771755306
Energy: 0.9430396796345895
Energy: 0.88142529736853
Energy: 0.9430396796345895
Energy: 0.8687758899904107
Energy: 0.9079323832398499
Energy: 0.8945663367682192
Energy: 0.9079323832377066
Energy: 0.8898815237710146
Energy: 0.9492569753702779
Energy: 1.2113169898974359
Energy: 0.949256975368849
Energy: 0.8474134165962727
Energy: 0.9080686479793434
Energy: 0.8945340969465123
Energy: 0.9080686479779145
Energy: 0.889911481410444
Energy: 0.9484465979432216
Energy: 1.050797910484228
Energy: 0.9484465979432216
Energy: 1.0641209915052334
Energy: 0.9691440867990874
Energy: 0.8600371940094821
Energy: 0.9691440868026598
Energy: 0.8899229793019636
Energy: 0.9699183877792389
Energy: 0.8671953473816527
Energy: 0.9699183877792389
Energy: 1.207018483145187
Energy: 0.9690891974777771
Energy: 0.8592049249919954
Energy: 0.9690891974777771
Energy: 0.9298226546064674
Energy: 0.8997918140277843
Energy: 0.8619733068647191
Energy: 0.8997918140277843
Energy: 1.2312947914518473
Energy: 0.9696051989774501
Energy: 0.8592903756250388
Energy: 0.9696051989774501
Energy: 0.8900748237393414
Energy: 0.8803028339570831
Energy: 0.8590954941896249
Energy: 0.8803028339577975
Energy: 0.8873644262958085
Energy: 0.9701779756869563
Energy: 0.8614475221058957
Energy: 0.9701779756862419
Energy: 0.8811313420840544
Energy: 0.8784644932681752
Energy: 0.8635273682991883
Energy: 0.8784644932674609
Energy: 0.8780507591849162
Energy: 0.9462683976803936
Energy: 0.9019702560357971
Energy: 0.9462683976789648
Energy: 0.8812042695095343
Energy: 0.9465717545138799
Energy: 0.902172330836287
Energy: 0.9465717545167378
Energy: 0.8812290357031206
Energy: 0.9465862976872278
Energy: 0.9021022925004758
Energy: 0.9465862976879421
Energy: 0.8783702583594589
Energy: 0.9461892327143047
Energy: 0.9022270981336482
Energy: 0.9461892327143047
Energy: 0.8811417780360363
Energy: 0.8783998092248732
Energy: 0.863949529107476
Energy: 0.8783998092255877
Energy: 0.8871703239756036
Energy: 0.9699446861429518
Energy: 0.861428649096194
Energy: 0.9699446861429518
Energy: 0.8900522337394868
Energy: 0.8802149321077832
Energy: 0.8547114631085969
Energy: 0.8802149321077832
Energy: 1.2311192887056415
Energy: 0.9695011380632079
Energy: 0.8591943672367681
Energy: 0.9695011380632079
Energy: 0.9288386573487831
Energy: 0.8997991039034073
Energy: 0.8672998996852354
Energy: 0.8997991039048363
Energy: 1.2066298282566739
Energy: 0.9691242879788521
Energy: 0.8593285434280871
Energy: 0.9691242879788521
Energy: 0.8899275252494209
Energy: 0.9701367215843798
Energy: 0.8672953454157802
Energy: 0.9701367215850943
Energy: 1.0642035603250222
Energy: 0.9692072409261331
Energy: 0.8600138254009728
Energy: 0.9692072409247042
Energy: 0.8899487787014065
Energy: 0.9487974836140483
Energy: 1.1869738023069423
Energy: 0.9487974836133338
Energy: 0.8526927646502551
Energy: 0.9078252100832852
Energy: 0.8946155309360325
Energy: 0.9078252100839997
Energy: 0.8901208527316458
Energy: 0.9495547485255627
Energy: 1.345160689791315
Energy: 0.949554748526277
Energy: 0.8642720412872094
Energy: 0.9076755314153669
Energy: 0.8944306533161948
Energy: 0.9076755314153669
Energy: 0.8897604457072407
Energy: 0.9430870962775602
Energy: 0.8776163574401399
Energy: 0.9430870962761314
Energy: 0.8883992834254433
Energy: 0.9068557083334318
Energy: 0.8598531844814549
Energy: 0.9068557083341463

minimum gb energy = 0.8474134165962727 eV
minimum distance =  2.32858632165483 Angstroms
sigma value = 37


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

Energy: 0.8393822071181033
Energy: 0.8372618166115138
Energy: 0.7406357395333478
Energy: 0.8372618166115138
Energy: 1.362730378166197
Energy: 0.8363766476968223
Energy: 0.7737685088603247
Energy: 0.8363766476980515
Energy: 0.7894611460250676
Energy: 0.9372150523607621
Energy: 1.0845904728962705
Energy: 0.9372150523607621
Energy: 0.7734075528888822
Energy: 0.8364041961866838
Energy: 0.7741958457183186
Energy: 0.8364041961866838
Energy: 0.7734390066237808
Energy: 0.8363124479787369
Energy: 0.769510455072763
Energy: 0.8363124479787369
Energy: 0.7470729157312205
Energy: 0.8363644450047198
Energy: 0.7711340468712468
Energy: 0.8363644450047198
Energy: 0.7734190509160043
Energy: 0.880518582340151
Energy: 1.0821244970418147
Energy: 0.880518582340151
Energy: 0.7710127949646098
Energy: 0.8378548563509667
Energy: 0.8414660760928641
Energy: 0.8378548563509667
Energy: 0.7729007715418593
Energy: 0.8362310742904243
Energy: 1.0813652831845364
Energy: 0.8362310742904243
Energy: 1.1217219542322383
Energy: 0.9263424968221462
Energy: 0.771327729986007
Energy: 0.9263424968221462
Energy: 0.7940971101959602
Energy: 0.8802657185165387
Energy: 0.7720626836488363
Energy: 0.8802657185165387
Energy: 1.1421175202374119
Energy: 0.8370408063332517
Energy: 0.7738726803347936
Energy: 0.8370408063320226
Energy: 0.7735645969711485
Energy: 0.8360081186989632
Energy: 0.7480715708673408
Energy: 0.8360081187001924
Energy: 1.0818993301366435
Energy: 0.8801740399565684
Energy: 0.7721966621874218
Energy: 0.8801740399565684
Energy: 0.8424909376883751
Energy: 0.8813278970419209
Energy: 0.7721947314302003
Energy: 0.8813278970419209
Energy: 0.8348725239847735
Energy: 0.8366040812940243
Energy: 0.7741770195446149
Energy: 0.8366040812940243
Energy: 0.7732688928989584
Energy: 0.9288263336959698
Energy: 0.7467543905872549
Energy: 0.9288263336959698
Energy: 0.7682894715201158
Energy: 0.8810848667774446
Energy: 0.7723339437100954
Energy: 0.8810848667786738
Energy: 0.7735835394795293
Energy: 0.8384680746530485
Energy: 0.7758619312923442
Energy: 0.8384680746530485
Energy: 0.7692702447609167
Energy: 0.836221256115361
Energy: 0.7675378524108174
Energy: 0.8362212561141319

minimum gb energy = 0.7406357395333478 eV
minimum distance =  2.33533304341054 Angstroms
sigma value = 25


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

Energy: 0.8950146989221528
Energy: 0.7175882714906501
Energy: 1.2364613387355674
Energy: 0.7175882714916101
Energy: 1.377099145742001
Energy: 0.726214512642042
Energy: 0.7057564821617147
Energy: 0.726214512642042
Energy: 0.853014879925924
Energy: 0.7156514698604034
Energy: 0.9225087348430072
Energy: 0.7156514698594435
Energy: 1.0429798220908053
Energy: 0.7430780898382409
Energy: 0.7065622166180135
Energy: 0.7430780898382409
Energy: 0.7199539666040686
Energy: 0.7264394834116975
Energy: 0.6885413934964546
Energy: 0.7264394834116975
Energy: 0.7874930791704332
Energy: 0.7156252014903743
Energy: 0.7209861035405266
Energy: 0.7156252014903743
Energy: 0.7058935392774234
Energy: 0.7003040362791575
Energy: 1.044415996335143
Energy: 0.7003040362791575
Energy: 0.6585920072800887
Energy: 0.754277062599245
Energy: 0.8408034145726734
Energy: 0.754277062599245
Energy: 0.7050967408135013
Energy: 0.7300922454815306
Energy: 1.2643455553827638
Energy: 0.7300922454805707
Energy: 0.6674960998282481
Energy: 0.7003136088888858
Energy: 0.7564309394726836
Energy: 0.7003136088879262
Energy: 0.7054795897743747
Energy: 0.7002400220164442
Energy: 1.1671913423425175
Energy: 0.7002400220164442
Energy: 0.9744942884128864
Energy: 0.8244714226597898
Energy: 0.8412345714681957
Energy: 0.82447142265883
Energy: 0.7073836233150341
Energy: 0.7427241127660373
Energy: 1.0551170078020087
Energy: 0.7427241127669971
Energy: 0.9994995700732109
Energy: 0.9976766153023526
Energy: 0.7207318508693059
Energy: 0.9976766153023526
Energy: 0.7208946072581087
Energy: 0.7007157477580738
Energy: 0.7942633315681068
Energy: 0.7007157477580738
Energy: 1.1033761322937077
Energy: 0.8249323001497542
Energy: 0.7076037933510485
Energy: 0.8249323000605316
Energy: 0.8369403931239655
Energy: 0.7536424403026988
Energy: 0.6590699977657742
Energy: 0.7536424403017388
Energy: 1.0963379968794111
Energy: 0.7264496836566284
Energy: 0.7060377197998535
Energy: 0.7264496836556686
Energy: 0.8962132871658635
Energy: 0.7151274541858144
Energy: 0.6732661300182223
Energy: 0.7151274541848546
Energy: 1.272130320750949
Energy: 0.8284225403553158
Energy: 0.7074362139469418
Energy: 0.8284225403543559
Energy: 0.8421568122190471
Energy: 1.0440864659628086
Energy: 0.6579122578416972
Energy: 1.0440864659618487
Energy: 0.8350203545547613
Energy: 0.7430832949538584
Energy: 0.7102906668759776
Energy: 0.7430832949548184
Energy: 0.7241142832988013
Energy: 0.7011027943374201
Energy: 0.9980897101217243
Energy: 0.7011027943355004
Energy: 0.8011698052425118
Energy: 0.8280794061369992
Energy: 0.72409455582971
Energy: 0.8280794061369992
Energy: 0.7084449247454179
Energy: 0.8241670154692283
Energy: 1.101654832877763
Energy: 0.8241670154797867
Energy: 0.6713849298368315
Energy: 0.7540456054805291
Energy: 0.8390053599688412
Energy: 0.7540456054795694

minimum gb energy = 0.6579122578416972 eV
minimum distance =  2.33925486280312 Angstroms
sigma value = 41


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

Energy: 1.0388826672874716
Energy: 0.6458471099864302
Energy: 0.9053434752849214
Energy: 0.6458471099872171
Energy: 1.3483525896952084
Energy: 0.6278969633535557
Energy: 0.6143654732712228
Energy: 0.6278969633535557
Energy: 0.6459727459591552
Energy: 0.6124291631108875
Energy: 0.5817009853673227
Energy: 0.6124291631101005
Energy: 1.0149246893726078
Energy: 0.6283958057643889
Energy: 0.6145796807753702
Energy: 0.6283958057643889
Energy: 0.6119246571124082
Energy: 0.6657973902195696
Energy: 0.5960660563613559
Energy: 0.6657973902187827
Energy: 0.7986529664354274
Energy: 0.6279171603466094
Energy: 0.6142806884929854
Energy: 0.6279171603473962
Energy: 0.6137482646870952
Energy: 0.6284945978094322
Energy: 0.8850023932197271
Energy: 0.6284945978094322
Energy: 0.6027554577637535
Energy: 0.6460625822842492
Energy: 0.6124408462990829
Energy: 0.6460625822842492
Energy: 0.6159851606644613
Energy: 0.6461687686240075
Energy: 1.0808964923574678
Energy: 0.6461687686224338
Energy: 0.6000198439664851
Energy: 0.6118804773060452
Energy: 0.6465102484438304
Energy: 0.6118804773052583
Energy: 0.6138079025291683
Energy: 0.6288429568900976
Energy: 1.185896033700182
Energy: 0.6288429568885239
Energy: 0.6032001726624133
Energy: 0.6455569447103547
Energy: 1.0370714284853086
Energy: 0.6455569447111417
Energy: 0.61594104762225
Energy: 0.6476703801702823
Energy: 1.1853857457799977
Energy: 0.6476703801694955
Energy: 0.8583554140733007
Energy: 0.7095712261665892
Energy: 0.6464707847583214
Energy: 0.7095712261665892
Energy: 0.6140224825405621
Energy: 0.6285199806940036
Energy: 1.012699080415295
Energy: 0.6285199806924298
Energy: 0.863387699342416
Energy: 0.6451184078016029
Energy: 0.6124536478160402
Energy: 0.6451184078008161
Energy: 0.6158859965691571
Energy: 0.6462501355516047
Energy: 0.9055891756986642
Energy: 0.6462501355484571
Energy: 0.856390249449862
Energy: 0.7107783687959623
Energy: 0.6143988756231332
Energy: 0.7107783687943886
Energy: 0.6139471856759028
Energy: 0.6457766047589361
Energy: 0.5999803306856302
Energy: 0.6457766047589361
Energy: 0.8784119154519199
Energy: 0.6451490141372398
Energy: 0.6187562851010493
Energy: 0.6451490141348789
Energy: 0.6483565189293614
Energy: 0.6466942572706236
Energy: 0.5877502105767549
Energy: 0.646694257328033
Energy: 1.1861846812276573
Energy: 0.6665566121362344
Energy: 0.6145054873465826
Energy: 0.6665566121346607
Energy: 1.034336699359226
Energy: 0.6455932221036905
Energy: 0.6003564943091296
Energy: 0.6455932221029036
Energy: 1.044460517280242
Energy: 0.6471512967750647
Energy: 0.6186587102276407
Energy: 0.6471512967750647
Energy: 0.6487279674167303
Energy: 0.7073952411791967
Energy: 0.5895251386598427
Energy: 0.7073952411791967
Energy: 1.0128283340905828
Energy: 1.171414261438675
Energy: 0.6147048031678429
Energy: 1.1714142614378882
Energy: 0.6143008759929225
Energy: 0.6451849269243992
Energy: 0.861576979833437
Energy: 0.6451849269236122
Energy: 0.6289655271029332
Energy: 0.6470659751308974
Energy: 0.6184432562033914
Energy: 0.6470659746565993
Energy: 0.6162742304443299
Energy: 0.7080761897158723
Energy: 0.8540917424394335
Energy: 0.7080761897150855
Energy: 0.5977266974334634
Energy: 0.9483470067294878
Energy: 0.616437828952181
Energy: 0.9483470067294878
Energy: 0.6184184569824882
Energy: 0.6453256414062618
Energy: 0.8767009760032257
Energy: 0.6453256414078357
Energy: 0.6016403697585121
Energy: 0.6471076880410063
Energy: 0.6518596272995276
Energy: 0.6471076880402195

minimum gb energy = 0.5817009853673227 eV
minimum distance =  2.33503496190821 Angstroms
sigma value = 15


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

Energy: 0.9386715370150892
Energy: 0.5756531905962292
Energy: 0.8725079295319975
Energy: 0.5756531905962292
Energy: 1.340575348717072
Energy: 0.5726554299889605
Energy: 0.5737907378216843
Energy: 0.572655429989627
Energy: 0.5996625030709778
Energy: 0.5723364437280806
Energy: 0.5460267905188619
Energy: 0.5723364437294138
Energy: 1.0497197465498542
Energy: 0.5728513586328591
Energy: 0.5739036389086568
Energy: 0.5728513586341923
Energy: 0.571859427790804
Energy: 0.6281188306472998
Energy: 0.9016415473481749
Energy: 0.6281188308678943
Energy: 0.9028373302872207
Energy: 0.572739987826102
Energy: 0.5737164790964892
Energy: 0.5727399878274353
Energy: 0.5736018380806893
Energy: 0.5860353402106679
Energy: 0.5580497265193745
Energy: 0.5860353402106679
Energy: 0.7289252591727113
Energy: 0.5856760925458311
Energy: 0.5738313722350435
Energy: 0.5856760925464977
Energy: 0.5749176724202922
Energy: 0.5873612604613667
Energy: 0.7361936564093865
Energy: 0.5873612604633667
Energy: 0.5503768455325447
Energy: 0.5726778154614484
Energy: 0.5724801275337346
Energy: 0.572677815462115
Energy: 0.5735738715671567
Energy: 0.5725476772079053
Energy: 1.0471817852384602
Energy: 0.5725476772025723
Energy: 0.5444087854702709
Energy: 0.5721212797530159
Energy: 0.6001224809475139
Energy: 0.5721212797516826
Energy: 0.5749781860971427
Energy: 0.5875625078045748
Energy: 1.1985797774301408
Energy: 0.5875625077732431
Energy: 0.5484534704480344
Energy: 0.5733669839882418
Energy: 0.9352081557955874
Energy: 0.5733669839922416
Energy: 0.5734627776422229
Energy: 0.5725348945077188
Energy: 1.197048494093651
Energy: 0.5725348945004464
Energy: 0.7755594492976298
Energy: 0.5720060004874421
Energy: 0.6002136317053286
Energy: 0.5720060004874421
Energy: 0.5749965878368112
Energy: 0.5868165268779157
Energy: 1.046644909547651
Energy: 0.5868165268692496
Energy: 0.7753021406921231
Energy: 0.6261248168669488
Energy: 0.5722857060728349
Energy: 0.6261248168309508
Energy: 0.5737480322019737
Energy: 0.5727932096746471
Energy: 0.9061869064845979
Energy: 0.5727932096759805
Energy: 0.7695734048970715
Energy: 0.57189656264166
Energy: 0.5740463357203506
Energy: 0.5718965626429933
Energy: 0.5748505472239835
Energy: 0.6000044652572252
Energy: 0.7296969023035903
Energy: 0.6000044652565584
Energy: 0.785546217981088
Energy: 0.5862661759348344
Energy: 0.5768063724259778
Energy: 0.5862661759388342
Energy: 0.5735859601712778
Energy: 0.5726572650998406
Energy: 0.5477200804654686
Energy: 0.5726572650998406
Energy: 1.0970830352357612
Energy: 0.5717359610489151
Energy: 0.5737962660669447
Energy: 0.5717359611115178
Energy: 0.6014314049593456
Energy: 0.6064116317195837
Energy: 0.5390674460738171
Energy: 0.6064116316869187
Energy: 1.0691975381779515
Energy: 0.5861196604464167
Energy: 0.576670926091176
Energy: 0.5861196604484167
Energy: 0.933400298754709
Energy: 0.5727819237979407
Energy: 0.5478097674660134
Energy: 0.5727819238026073
Energy: 1.1938470382119175
Energy: 0.5725293456014178
Energy: 0.5738384177250191
Energy: 0.572529345597418
Energy: 0.6013408260656248
Energy: 0.655278110224847
Energy: 0.5396989977561469
Energy: 0.6552781101481843
Energy: 0.922737689151966
Energy: 0.5864335043957931
Energy: 0.5769229858078436
Energy: 0.5864335043997929
Energy: 0.5734688171297171
Energy: 0.625716898875845
Energy: 0.7729065563358168
Energy: 0.6257168990364426
Energy: 0.9016130559789384
Energy: 0.5723368675490074
Energy: 0.5737701006358291
Energy: 0.5723368675463409
Energy: 0.5748396685265289
Energy: 0.6547751532356907
Energy: 0.7677823987925982
Energy: 0.654775153234418
Energy: 0.5649583961568567
Energy: 0.5996057940558267
Energy: 0.5767516118600827
Energy: 0.5996057940131624
Energy: 0.5522315587180792
Energy: 0.6276242114452042
Energy: 0.783346047304338
Energy: 0.6276242114225993
Energy: 0.5483715595620444
Energy: 0.5722451552446197
Energy: 0.5753757076952664
Energy: 0.5722451552466197
Energy: 0.5750978953146247
Energy: 0.6530665043809554
Energy: 1.0946760302337357
Energy: 0.6530665043842886

minimum gb energy = 0.5390674460738171 eV
minimum distance =  2.34110196407399 Angstroms
sigma value = 85


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

Energy: 0.9569432607727092
Energy: 0.5755327374494568
Energy: 1.0821657412057935
Energy: 0.5755327390185075
Energy: 1.3896279813935184
Energy: 0.5603736415376211
Energy: 0.5212666234120829
Energy: 0.5603736415358865
Energy: 0.9233145558422536
Energy: 0.5719376592625227
Energy: 0.6883243136240925
Energy: 0.5719376592625227
Energy: 1.1187679862955984
Energy: 0.5611099814099104
Energy: 0.5210276700808387
Energy: 0.5611099814104886
Energy: 0.6444705449888612
Energy: 0.5318107428173916
Energy: 0.4888311542077528
Energy: 0.5318107428185479
Energy: 0.9848655442748782
Energy: 0.5738688796100558
Energy: 0.5212411855333932
Energy: 0.5738688796100558
Energy: 0.6052806793002579
Energy: 0.5794737635787653
Energy: 0.5746185837904464
Energy: 0.579473763578187
Energy: 0.8510024426804482
Energy: 0.5595869308408891
Energy: 0.5318696397820311
Energy: 0.5595869308414673
Energy: 0.5314013638486222
Energy: 0.5395258292888525
Energy: 0.7396993852875751
Energy: 0.5395258292888525
Energy: 0.7044854789837316
Energy: 0.572826074075243
Energy: 0.6046618430339058
Energy: 0.5728260740746649
Energy: 0.5217868937137394
Energy: 0.5600336684471967
Energy: 1.0595188030136353
Energy: 0.5600336684466186
Energy: 0.5383028699587173
Energy: 0.5593595206384994
Energy: 0.6434131805339286
Energy: 0.5593595206384994
Energy: 0.5208405867229684
Energy: 0.5396737580626059
Energy: 1.1206957717640973
Energy: 0.5396737580620278
Energy: 0.4538373569896504
Energy: 0.5732775560080252
Energy: 0.9205024441998334
Energy: 0.5732775560080252
Energy: 0.5219647762633834
Energy: 0.56064005716677
Energy: 1.2546108334668344
Energy: 0.5606400571679263
Energy: 0.4573493629721064
Energy: 0.5594371487400068
Energy: 0.8872129358658022
Energy: 0.5594371487394288
Energy: 0.5210289135165562
Energy: 0.5406536188421525
Energy: 1.1871194771912117
Energy: 0.5406536188427306
Energy: 0.6649419899686743
Energy: 0.5708179168480546
Energy: 0.9207039336264528
Energy: 0.5708179167648243
Energy: 0.5219659274697432
Energy: 0.5611867763462834
Energy: 1.1187057752463967
Energy: 0.5611867763468615
Energy: 0.6681998744031616
Energy: 0.5599634022093937
Energy: 0.64310771174286
Energy: 0.559963402203034
Energy: 0.521583371770174
Energy: 0.5504656644504058
Energy: 0.9843367491183511
Energy: 0.5504656644504058
Energy: 0.7414463353701235
Energy: 0.5592882364995082
Energy: 0.6047442694789286
Energy: 0.5592882365006647
Energy: 0.5330712689158338
Energy: 0.5597143170927701
Energy: 0.8513920503961514
Energy: 0.5597143170921918
Energy: 0.7692913345199613
Energy: 0.5796384987320747
Energy: 0.5320500015503342
Energy: 0.5796384987320747
Energy: 0.6050738316011186
Energy: 0.5595360161655876
Energy: 0.7038727393903704
Energy: 0.5595360161655876
Energy: 1.038533495605647
Energy: 0.5593412417235893
Energy: 0.5232726442150967
Energy: 0.5593412417218547
Energy: 0.6437323756659851
Energy: 0.5593316692228428
Energy: 0.5404603313915692
Energy: 0.5593316692234209
Energy: 1.0600244258295521
Energy: 0.5793718866132349
Energy: 0.521106096591128
Energy: 0.5793718866132349
Energy: 0.9198974670375794
Energy: 0.5705046213225201
Energy: 0.4539855258977748
Energy: 0.5705046213213637
Energy: 1.2620877748631092
Energy: 0.5597204336633566
Energy: 0.52334078179703
Energy: 0.5597204336633566
Energy: 0.9534833731484711
Energy: 0.5706877555281463
Energy: 0.45695012915757977
Energy: 0.5706877553189538
Energy: 1.1600635710269565
Energy: 0.5795784048278316
Energy: 0.5215258820285162
Energy: 0.5795784048255188
Energy: 0.9198443039683597
Energy: 0.570632176019095
Energy: 0.4504889556309565
Energy: 0.5706321760185168
Energy: 1.1245408619363781
Energy: 0.5595253126114973
Energy: 0.5232846725492216
Energy: 0.5595253126126536
Energy: 0.6439011869329656
Energy: 0.5594307612310996
Energy: 0.6682202680248572
Energy: 0.5594307612351469
Energy: 0.8809037315940066
Energy: 0.5896837931758299
Energy: 0.5226941736267733
Energy: 0.5896837931209299
Energy: 0.6051113126148994
Energy: 0.5593274203792584
Energy: 0.7466651566170565
Energy: 0.5593274203792584
Energy: 0.8510596554376412
Energy: 0.5596838556406266
Energy: 0.5347685957125077
Energy: 0.5596838556394703
Energy: 0.533126462604127
Energy: 0.7891670387829691
Energy: 0.7694104579565847
Energy: 0.7891670387829691
Energy: 0.5685545070014204
Energy: 0.5993797086521061
Energy: 0.606486257777022
Energy: 0.5993797086526843
Energy: 0.5252225373012879
Energy: 0.5592663590008993
Energy: 1.037269272897721
Energy: 0.5592663590008993
Energy: 0.5405201983425039
Energy: 0.5592810130601537
Energy: 0.6453912970548055
Energy: 0.5592810130601537
Energy: 0.5220973655732973
Energy: 0.7888430598841122
Energy: 1.059690709403638
Energy: 0.7888430598841122

minimum gb energy = 0.4504889556309565 eV
minimum distance =  2.29279608985084 Angstroms
sigma value = 113


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

Energy: 0.01859245970254346
Energy: 0.019035699699670876
Energy: 0.7431602576028807
Energy: 0.019035699699670876
Energy: 0.7432705377571746
Energy: -0.5190485505176494
Energy: -0.5189319702122794
Energy: -0.5190485505176494
Energy: 0.01859245970254346
Energy: 0.019035699699670876
Energy: 0.7431652927988109
Energy: 0.019035699699670876
Energy: 0.7432705377571746
Energy: -0.5190485505172051
Energy: -0.5189319702127239
Energy: -0.5190485505180941
Energy: 0.018592459702098996
Energy: 0.019035699700115344
Energy: 0.7431700187682002
Energy: 0.019035699699670876
Energy: 0.7432705377571746
Energy: -0.5190485505176494
Energy: -0.5189319702122794
Energy: -0.5190485505176494

minimum gb energy = -0.5190485505180941 eV
minimum distance =  2.46812762522784 Angstroms
sigma value = 1