Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645762205124
cohesive_energy=4.2905471300555265
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: 0.013216707320776951
Energy: 0.013578708852958754
Energy: 2.5529332533959788
Energy: 0.013578708852958754
Energy: 0.013578708852958754
Energy: 0.014139416424972538
Energy: 0.5545934578334764
Energy: 0.014139416424000772
Energy: 2.5529332533959788
Energy: 0.5545934578334764
Energy: 0.5542298392955527
Energy: 0.5545934578334764
Energy: 0.013578708852958754
Energy: 0.014139416424000772
Energy: 0.5545934578334764
Energy: 0.014139416424000772

minimum gb energy = 0.013216707320776951 eV
minimum distance =  2.47545094938515 Angstroms
sigma value = 1


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

Energy: 1.4459796679264472
Energy: 1.2375804421165677
Energy: 1.2040438013974386
Energy: 1.2375804421153556
Energy: 1.4405914509201962
Energy: 0.8924707857850279
Energy: 0.9367235614548083
Energy: 0.8924707857850279
Energy: 1.5590068391904384
Energy: 0.9351574344075257
Energy: 0.9145038947082629
Energy: 0.9351574344087379
Energy: 1.253979136994059
Energy: 0.8935943598299182
Energy: 0.9361516983126568
Energy: 0.8935943598299182
Energy: 1.2505108907520257
Energy: 0.8934666825575812
Energy: 1.304484247627228
Energy: 0.8934666825563689
Energy: 1.455898680652976
Energy: 0.8982797422224795
Energy: 0.8981897441466453
Energy: 0.8982797422212674
Energy: 1.0827193235800272
Energy: 0.8982860899306647
Energy: 0.8982268562199756
Energy: 0.8982860899294524
Energy: 0.894546699610683
Energy: 0.8962803836457599
Energy: 1.296246465637021
Energy: 0.8962803836457599
Energy: 1.0929619592577562
Energy: 1.0569563451634127
Energy: 1.256212549224362
Energy: 1.0569563451634127
Energy: 1.507314486338829
Energy: 0.8984240407420763
Energy: 1.0907958365586694
Energy: 0.8984240407432884
Energy: 0.9121942572651176
Energy: 0.9593813167126085
Energy: 1.1746774123730221
Energy: 0.9593813167126085
Energy: 0.9122305590843227
Energy: 0.9120993053820152
Energy: 1.8988954054588718
Energy: 0.9120993053808031
Energy: 1.103089112716216
Energy: 0.9593423863505032
Energy: 1.2539696632752624
Energy: 0.9593423863505032
Energy: 0.9334928258929175
Energy: 0.9592704872840098
Energy: 1.2534133644849998
Energy: 0.959270487286434
Energy: 0.9332405977197634
Energy: 0.8972914093463024
Energy: 1.4433417648925027
Energy: 0.8972914093475145
Energy: 0.9333605916610157
Energy: 0.8971616301733796
Energy: 1.4434655670619196
Energy: 0.8971616301733796
Energy: 0.937620220492033
Energy: 0.9584857819871486
Energy: 1.253359175844901
Energy: 0.958485781988361
Energy: 1.1032754195121641
Energy: 0.9589858445767598
Energy: 1.2528863567724646
Energy: 0.9589858445767598
Energy: 0.9159784323121226
Energy: 0.912136882165317
Energy: 1.9568664936857296
Energy: 0.9121368821665291
Energy: 0.9120973610366528
Energy: 0.9591900293677552
Energy: 1.0871942197846796
Energy: 0.9591900293689674
Energy: 1.5072624978298312
Energy: 0.8987985673005975
Energy: 1.0899023673556716
Energy: 0.8987985673005975
Energy: 1.0922451775675663
Energy: 0.8932983948634419
Energy: 1.2562345329646243
Energy: 0.8932983948634419
Energy: 0.9948718846546168
Energy: 0.8964660098536993
Energy: 1.0968965994381839
Energy: 0.8964660098549115
Energy: 1.2713524180498545
Energy: 0.8984499997980174
Energy: 0.8982091297267458
Energy: 0.8984499997992297
Energy: 1.4553455813273104
Energy: 0.8982653004472929
Energy: 0.8984151847291214
Energy: 0.8982653004472929
Energy: 1.2502256155542342
Energy: 0.8937390824368546
Energy: 1.3045036715955767
Energy: 0.8937390824380668
Energy: 1.2515014160506217
Energy: 0.893376899228018
Energy: 0.9234932039068405
Energy: 0.8933768992268057
Energy: 1.6635438447214503
Energy: 0.9351261750368391
Energy: 0.9151069648500323
Energy: 0.9351261750380515
Energy: 1.4409540490985475
Energy: 0.8923789720534001
Energy: 0.9366616788559886
Energy: 0.8923789720509757
Energy: 1.264236305614311
Energy: 0.8974488481955919
Energy: 0.9351887883966639
Energy: 0.8974488481943796
Energy: 1.4424551183073864
Energy: 0.8923592802164705
Energy: 0.9351565389617225
Energy: 0.8923592802176827
Energy: 1.454676504180481
Energy: 0.9105294424253162
Energy: 0.915130215584036
Energy: 0.9105294424253162
Energy: 1.2504270569161737
Energy: 0.8934506027193178
Energy: 0.9785600062434324
Energy: 0.8934506027205299

minimum gb energy = 0.8923592802164705 eV
minimum distance =  2.34610579152307 Angstroms
sigma value = 1


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

Energy: 1.578510309410889
Energy: 0.9408934027428492
Energy: 0.9823855339356479
Energy: 0.9408934027428492
Energy: 1.32360614890924
Energy: 0.9208241207501336
Energy: 1.0230423892804847
Energy: 0.9208241207487516
Energy: 1.3514069191106046
Energy: 0.9653720030685852
Energy: 0.9655774640882154
Energy: 0.9653720030685852
Energy: 0.9193287981101559
Energy: 0.9436691166830661
Energy: 1.0231333361034587
Energy: 0.9436691166830661
Energy: 0.9192330753941695
Energy: 0.94498777900433
Energy: 1.4359662282828
Energy: 0.94498777900433
Energy: 1.351315313895797
Energy: 0.943718262877658
Energy: 0.9437372141934878
Energy: 0.943718262877658
Energy: 0.9679105831511932
Energy: 0.9940207823098691
Energy: 0.9435869051501226
Energy: 0.9940207823098691
Energy: 0.943757866452704
Energy: 0.9435804291343981
Energy: 1.4352715743669908
Energy: 0.9435804291357802
Energy: 0.9661960895641677
Energy: 0.9196589141877949
Energy: 1.3538687744760602
Energy: 0.9196589141877949
Energy: 1.0228901475310244
Energy: 0.9193723661593367
Energy: 0.9193290286571195
Energy: 0.9193723661579547
Energy: 0.9450478350774055
Energy: 1.112211056936998
Energy: 1.35452796615478
Energy: 1.112211056936998
Energy: 0.9443999271113944
Energy: 0.9439919423489522
Energy: 1.8148761559082145
Energy: 0.9439919423489522
Energy: 1.023306077739941
Energy: 0.9195883177310891
Energy: 1.3224855587444986
Energy: 0.9195883177310891
Energy: 1.0233060777427054
Energy: 0.9196501435363026
Energy: 1.3224622905297116
Energy: 0.9196501435376846
Energy: 0.9444899656943958
Energy: 0.9439640624709371
Energy: 1.8148354724501403
Energy: 0.9439640624709371
Energy: 0.9450937765008155
Energy: 1.1122537226328153
Energy: 1.354495841418629
Energy: 1.1122537226314333
Energy: 1.0228901475296421
Energy: 0.9193676037154752
Energy: 0.9193186333333074
Energy: 0.9193676037154752
Energy: 0.9660082928803116
Energy: 0.9195839447340532
Energy: 1.3538209074821432
Energy: 0.9195839447340532
Energy: 0.9436591957130109
Energy: 0.9435813605881194
Energy: 1.4352715743656088
Energy: 0.9435813605881194
Energy: 0.9676207360212228
Energy: 0.9940707011053443
Energy: 0.9437407754539751
Energy: 0.9940707011053443
Energy: 1.3513168567295257
Energy: 0.9437616002748959
Energy: 0.9437356359651885
Energy: 0.9437616002748959
Energy: 0.9193223963498423
Energy: 0.9457556403009092
Energy: 1.4359662282814178
Energy: 0.9457556403009092
Energy: 0.9193136137813274
Energy: 0.9437262392563847
Energy: 1.023133336099312
Energy: 0.9437262392563847
Energy: 1.3513487199132075
Energy: 0.9653807544975902
Energy: 0.9655423409691569
Energy: 0.9653807544975902
Energy: 1.3239314552770036
Energy: 0.9206287234020452
Energy: 1.0230423892791025
Energy: 0.9206287234034274
Energy: 1.5785103094122712
Energy: 0.9408934027428492
Energy: 0.9823855425176404
Energy: 0.9408934027428492
Energy: 1.32360614890924
Energy: 0.9208241207501336
Energy: 1.0230423892804847
Energy: 0.9208241207501336
Energy: 1.3514069191106046
Energy: 0.9653720030685852
Energy: 0.9655774640882154
Energy: 0.9653720030685852
Energy: 0.9193287981101559
Energy: 0.9436691166830661
Energy: 1.0231333361006942
Energy: 0.9436691166844482

minimum gb energy = 0.9192330753941695 eV
minimum distance =  2.33567648062404 Angstroms
sigma value = 25


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

Energy: 1.3524358820428
Energy: 1.1113057671119773
Energy: 1.0416964897550383
Energy: 1.1113057671119773
Energy: 1.4442763012013085
Energy: 0.9934084828799272
Energy: 1.0686689866295607
Energy: 0.9934084828783204
Energy: 1.4608139351662306
Energy: 1.0240920737124686
Energy: 1.0242892206654035
Energy: 1.0240920737140753
Energy: 1.2560280073773664
Energy: 0.9888758896544726
Energy: 1.0686924994378575
Energy: 0.9888758896544726
Energy: 1.255193958401427
Energy: 0.9885281923741064
Energy: 1.2640765015562276
Energy: 0.9885281923741064
Energy: 1.4600741168828189
Energy: 0.9934138383402471
Energy: 0.9933035569122538
Energy: 0.9934138383418537
Energy: 1.0203788857482134
Energy: 0.988586358257365
Energy: 0.9932779073294189
Energy: 0.988586358257365
Energy: 0.9980595520837404
Energy: 1.0198126049724032
Energy: 1.538535073941196
Energy: 1.0198126049724032
Energy: 1.0735534429755436
Energy: 1.0771818834232882
Energy: 1.246452706831242
Energy: 1.0771818834232882
Energy: 1.0664750625384267
Energy: 0.9826651638949588
Energy: 1.246287392984082
Energy: 0.9826651638949588
Energy: 1.0613621480910629
Energy: 0.9885173302337733
Energy: 1.4487511264027062
Energy: 0.9885173302337733
Energy: 1.0530077763561159
Energy: 1.0201018006846225
Energy: 1.448058365205184
Energy: 1.0201018006846225
Energy: 1.0880057284770925
Energy: 0.9827860559465663
Energy: 1.2464161445628712
Energy: 0.9827860559449598
Energy: 1.0736648739702404
Energy: 1.0772494004642106
Energy: 1.2462038817512553
Energy: 1.0772494004642106
Energy: 1.0199536908879887
Energy: 1.0198542005932567
Energy: 1.8027339321191438
Energy: 1.0198542005932567
Energy: 1.0199889212427846
Energy: 0.9885486546642582
Energy: 0.9933342234182994
Energy: 0.9885486546642582
Energy: 1.7812782519349775
Energy: 0.9932839952432087
Energy: 0.9932987538277037
Energy: 0.9932839952416018
Energy: 1.2549166448894549
Energy: 0.988532199432205
Energy: 1.264693573983477
Energy: 0.988532199432205
Energy: 1.1251341454766663
Energy: 0.9886068221229954
Energy: 1.0687227407541915
Energy: 0.9886068221229954
Energy: 1.2351466152822215
Energy: 0.993300216120068
Energy: 1.0246281398296857
Energy: 0.993300216120068
Energy: 1.4459754478454805
Energy: 0.993273435312577
Energy: 1.0248065772114372
Energy: 0.993273435312577
Energy: 1.256769895474973
Energy: 0.982782411717745
Energy: 1.0687555319015265
Energy: 0.9827824117193515
Energy: 1.4462900682895907
Energy: 1.0697890715197094
Energy: 1.0685910489596395
Energy: 1.0697890715181027
Energy: 1.6109370210782061
Energy: 1.0325786608456158
Energy: 1.0332096015290648
Energy: 1.0325786608456158
Energy: 1.2553468294915842
Energy: 0.9888087027224238
Energy: 1.015614142399484
Energy: 0.9888087027224238

minimum gb energy = 0.9826651638949588 eV
minimum distance =  2.34703339135361 Angstroms
sigma value = 9


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

Energy: 1.0014944033833741
Energy: 1.0005381885768982
Energy: 1.1317494662956364
Energy: 1.0005381885768982
Energy: 1.00106543664117
Energy: 1.0427268831936256
Energy: 1.042546374158175
Energy: 1.0427268831936256
Energy: 1.0938703132727177
Energy: 1.094026274633872
Energy: 1.0940165234398376
Energy: 1.094026274634264
Energy: 1.0426736973154844
Energy: 1.0426677397393873
Energy: 1.0426277174336167
Energy: 1.0426677397393873
Energy: 1.0429716580252233
Energy: 1.0434798374595424
Energy: 1.0938852173028382
Energy: 1.0434798374593681
Energy: 1.7951152183845434
Energy: 1.0428952497553428
Energy: 1.0426939359184673
Energy: 1.0428952497551467
Energy: 1.0425979583458862
Energy: 1.0433563981207272
Energy: 1.042949723837534
Energy: 1.0433563981211194
Energy: 1.0427638066507614
Energy: 1.043507322462456
Energy: 1.5917197449934812
Energy: 1.043507322462456
Energy: 1.2331342201725115
Energy: 1.0432972375751979
Energy: 1.000600428012183
Energy: 1.0432972375751979
Energy: 1.2337164108705918
Energy: 1.000623196912986
Energy: 1.0006833144248606
Energy: 1.000623196913182
Energy: 1.0435866862910128
Energy: 1.1435968226631275
Energy: 1.5914872676575544
Energy: 1.1435968226631275
Energy: 1.1332927046161432
Energy: 1.0004944574704335
Energy: 1.0942609433962909
Energy: 1.0004944574704335
Energy: 1.2331077225732514
Energy: 1.0426698947452722
Energy: 1.0431586631354206
Energy: 1.0426698947452722
Energy: 1.0939930832135218
Energy: 1.0976048401546123
Energy: 1.093998919784144
Energy: 1.0976048401544163
Energy: 1.0431579652760865
Energy: 1.0426687522819353
Energy: 1.2331077225734475
Energy: 1.0426687522819353
Energy: 1.0940724775175026
Energy: 1.0005096949793768
Energy: 1.133224522074016
Energy: 1.0005096949792027
Energy: 1.5914437077182646
Energy: 1.1435859761892881
Energy: 1.043617305952598
Energy: 1.1435859761892881
Energy: 1.0006459591541643
Energy: 1.0006310915766683
Energy: 1.233716410870984
Energy: 1.0006310915766683
Energy: 1.0006211420509639
Energy: 1.0432814275620979
Energy: 1.2331342201723154
Energy: 1.0432814275620979
Energy: 1.5916973756002577
Energy: 1.0434116010620402
Energy: 1.0427537075716813
Energy: 1.043411601062236
Energy: 1.0429281967571131
Energy: 1.043312283935109
Energy: 1.0440089814475613
Energy: 1.043312283934913

minimum gb energy = 1.0004944574704335 eV
minimum distance =  2.32129956332376 Angstroms
sigma value = 25


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

Energy: 1.1449400932574372
Energy: 1.1015076154992205
Energy: 1.203575518376574
Energy: 1.101507615499463
Energy: 1.4282491237809316
Energy: 1.1972111597981943
Energy: 1.160925073890255
Energy: 1.1972111597986792
Energy: 1.2842415587435636
Energy: 1.1484074037710903
Energy: 1.1615817822204846
Energy: 1.1484074037710903
Energy: 1.1102066385500509
Energy: 1.188761858297283
Energy: 1.1288878881799067
Energy: 1.1887618582970674
Energy: 1.1896726595993883
Energy: 1.1968015120175257
Energy: 1.4698085039987403
Energy: 1.1968015120175257
Energy: 1.5355548985171399
Energy: 1.1425985791953035
Energy: 1.1424815392930014
Energy: 1.1425985791948186
Energy: 1.2427241444610564
Energy: 1.1897622836347193
Energy: 1.1428378828439016
Energy: 1.1897622836354467
Energy: 1.1894112133505337
Energy: 1.2208805568729122
Energy: 1.4705453014406191
Energy: 1.2208805568724272
Energy: 1.2214768074417706
Energy: 1.1427482904158501
Energy: 1.1423835685270949
Energy: 1.1427482904156077
Energy: 1.2688830424267568
Energy: 1.1433533603074026
Energy: 1.1424165330158838
Energy: 1.1433533603067023
Energy: 1.1484536411299244
Energy: 1.1891629679314644
Energy: 1.4649628519936397
Energy: 1.1891629679314644
Energy: 1.1887518320121675
Energy: 1.1434982032942522
Energy: 1.1302391305014396
Energy: 1.1434982032942522
Energy: 1.4163084611568477
Energy: 1.1482455331792338
Energy: 1.1497013633862188
Energy: 1.1482455331796917
Energy: 1.446028302597939
Energy: 1.1965796658039407
Energy: 1.2856074042313368
Energy: 1.1965796658034826
Energy: 1.4462691191669894
Energy: 1.0867008057130925
Energy: 1.2851445580094776
Energy: 1.0867008057130925
Energy: 1.4278186027410908
Energy: 1.1344214411919278
Energy: 1.1290428686509728
Energy: 1.1344214411917124
Energy: 1.188900122820727
Energy: 1.1427765102974259
Energy: 1.149291232918358
Energy: 1.1427765102974259

minimum gb energy = 1.0867008057130925 eV
minimum distance =  2.30365126212112 Angstroms
sigma value = 17


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

Energy: 1.5644486888073432
Energy: 1.1633301418493356
Energy: 1.2549422281000342
Energy: 1.1633301418493356
Energy: 1.3832802666492503
Energy: 1.2253288204654529
Energy: 1.2688219172751765
Energy: 1.2253288204667951
Energy: 1.3831749448327226
Energy: 1.211095465600379
Energy: 1.191443320343095
Energy: 1.2110954656017214
Energy: 1.184838317787093
Energy: 1.1828492500654197
Energy: 1.2342623491814666
Energy: 1.1828492500654197
Energy: 1.2223294589458968
Energy: 1.2248362897215994
Energy: 1.4176593381530715
Energy: 1.224836289720257
Energy: 1.4109843783026428
Energy: 1.1620298173657566
Energy: 1.2069839444173878
Energy: 1.1620298173644141
Energy: 1.3105451165315358
Energy: 1.1839547624539009
Energy: 1.375761971935388
Energy: 1.1839547624539009
Energy: 1.2165311384681539
Energy: 1.182283165321168
Energy: 1.464280899612141
Energy: 1.182283165321168
Energy: 1.1968134746529098
Energy: 1.227426068747083
Energy: 1.168254882086947
Energy: 1.227426068747083
Energy: 1.4098786460110835
Energy: 1.1639838062338317
Energy: 1.23009447541522
Energy: 1.1639838062338317
Energy: 1.2096715981003046
Energy: 1.209738262544084
Energy: 1.4354053565489249
Energy: 1.2097382625427417
Energy: 1.2095922413968854
Energy: 1.2278833015034225
Energy: 1.2608346021874162
Energy: 1.2278833015034225
Energy: 1.394242382463252
Energy: 1.2408205004333877
Energy: 1.261609126043818
Energy: 1.2408205004333877
Energy: 1.2095210091583046
Energy: 1.2099615626810283
Energy: 1.244031890856204
Energy: 1.2099615626810283
Energy: 1.2100472487176428
Energy: 1.1792583158253467
Energy: 1.4459790212021886
Energy: 1.1792583158266892
Energy: 1.4413170689634294
Energy: 1.2276744906538173
Energy: 1.16810385182036
Energy: 1.2276744906538173
Energy: 1.218100054097651
Energy: 1.2697446840241509
Energy: 1.227458929894216
Energy: 1.2697446840254933
Energy: 1.1972319636665354
Energy: 1.252913453201032
Energy: 1.3943606133119375
Energy: 1.2529134531996893
Energy: 1.2973977846544897
Energy: 1.1628746347034096
Energy: 1.364715374538448
Energy: 1.1628746347034096
Energy: 1.4058017207054407
Energy: 1.1624018485747318
Energy: 1.3648376244005054
Energy: 1.1624018485747318
Energy: 1.1821208847939406
Energy: 1.2596102038202603
Energy: 1.4368839308862402
Energy: 1.2596102038189179
Energy: 1.1821588847357125
Energy: 1.2759184542185138
Energy: 1.2108066813695155
Energy: 1.2759184542185138
Energy: 1.4040473361842942
Energy: 1.2108634059119132
Energy: 1.1939619906910666
Energy: 1.2108634059119132
Energy: 1.3628695333573346
Energy: 1.1684957858060006
Energy: 1.3039503777625794
Energy: 1.1684957858060006
Energy: 1.3628795427828144
Energy: 1.1674305586938287
Energy: 1.3786470306036325
Energy: 1.1674305586938287
Energy: 1.4116272156329428
Energy: 1.2097286940798455
Energy: 1.2110545258100205
Energy: 1.2097286940798455
Energy: 1.1791150734292795
Energy: 1.228095021671772
Energy: 1.1938563768858188
Energy: 1.228095021671772
Energy: 1.1828724124943766
Energy: 1.182249532854393
Energy: 1.4430070614651893
Energy: 1.1822495328557354
Energy: 1.3770491325723804
Energy: 1.1624781223706508
Energy: 1.3667515773406764
Energy: 1.1624781223733358
Energy: 1.257159835303113
Energy: 1.162114174368555
Energy: 1.2051107713241371
Energy: 1.162114174368555

minimum gb energy = 1.1620298173644141 eV
minimum distance =  2.30905178636701 Angstroms
sigma value = 53


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

Energy: 1.1943681093651644
Energy: 1.1974588357626077
Energy: 1.3744180119187295
Energy: 1.1974588357632046
Energy: 1.276242451490657
Energy: 1.1960292721449204
Energy: 1.1944195579560342
Energy: 1.1960292721446042
Energy: 1.194288176994245
Energy: 1.2971471031067128
Energy: 1.306806119702967
Energy: 1.2971471031069939
Energy: 1.3067928113007572
Energy: 1.2971266420224539
Energy: 1.1941808485340155
Energy: 1.2971266420224539
Energy: 1.1942326017600176
Energy: 1.1973589061831498
Energy: 1.2763899653251314
Energy: 1.1973589061831498
Energy: 2.518142258679185
Energy: 1.1974588357629237
Energy: 1.1943681093651644
Energy: 1.1974588357629237
Energy: 1.194419557956315
Energy: 1.1960292721442884
Energy: 1.276242451490657
Energy: 1.1960292721446042
Energy: 1.3068061197032477
Energy: 1.2971471031069939
Energy: 1.1942881773767007
Energy: 1.2971471031067128
Energy: 1.194180848497877
Energy: 1.2971266420224539
Energy: 1.3067928113007572
Energy: 1.2971266420224539
Energy: 1.2763899653254474
Energy: 1.1973589061831498
Energy: 1.1942326017603335
Energy: 1.1973589061825176
Energy: 1.1943681093651644
Energy: 1.1974588357626077
Energy: 1.3744180399344825
Energy: 1.1974588357626077
Energy: 1.2762424514903408
Energy: 1.1960292721449204
Energy: 1.1944195579560342
Energy: 1.1960292721446042
Energy: 1.194288177856438
Energy: 1.2971471031067128
Energy: 1.306806119702967
Energy: 1.2971471031069939

minimum gb energy = 1.194180848497877 eV
minimum distance =  2.3151092572594 Angstroms
sigma value = 9


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

Energy: 1.3937362354520844
Energy: 1.286560430291439
Energy: 1.446209442579905
Energy: 1.286560430291439
Energy: 1.5522829095694977
Energy: 1.2781662207997933
Energy: 1.3932236687378607
Energy: 1.278166220800937
Energy: 1.3226761519461303
Energy: 1.2510175157770673
Energy: 1.2512663523004346
Energy: 1.2510175157770673
Energy: 1.2618467230105688
Energy: 1.2748642272792434
Energy: 1.365339611069733
Energy: 1.2748642272792434
Energy: 1.3187651501642146
Energy: 1.2377702670315736
Energy: 1.5555409786230554
Energy: 1.2377702670304298
Energy: 1.5198890173925785
Energy: 1.3491129558885249
Energy: 1.391335733518227
Energy: 1.3491129558896688
Energy: 1.3813252174416735
Energy: 1.328234718309265
Energy: 1.5785055355739996
Energy: 1.328234718310409
Energy: 1.237916117992678
Energy: 1.2828408078007496
Energy: 1.3255257724471063
Energy: 1.2828408077996059
Energy: 1.330348641465149
Energy: 1.2513887674370157
Energy: 1.2863866178945842
Energy: 1.2513887674370157
Energy: 1.398011607408875
Energy: 1.2514503133533308
Energy: 1.3497509092732476
Energy: 1.2514503133544745
Energy: 1.2625287646350247
Energy: 1.357425553277425
Energy: 1.548214016334088
Energy: 1.357425553277425
Energy: 1.5957319146081284
Energy: 1.3341979703426787
Energy: 1.3260456304346222
Energy: 1.3341979703426787
Energy: 1.3123350772443112
Energy: 1.2664419520428951
Energy: 1.2689695579743485
Energy: 1.2664419520417514
Energy: 1.3167799974181054
Energy: 1.325299416222052
Energy: 1.4180010493676274
Energy: 1.325299416222052
Energy: 1.321702433269499
Energy: 1.282998955866055
Energy: 1.2663840352421738
Energy: 1.282998955866055
Energy: 1.5526874913524418
Energy: 1.2663892621479191
Energy: 1.2717299141202891
Energy: 1.2663892621479191
Energy: 1.4299751423949143
Energy: 1.2670727853121087
Energy: 1.6179289959142076
Energy: 1.2670727853132524
Energy: 1.265780630175277
Energy: 1.3564574443625987
Energy: 1.3451727315464723
Energy: 1.3564574443625987
Energy: 1.5874709637932571
Energy: 1.3518894054131492
Energy: 1.3085459466806117
Energy: 1.3518894054131492
Energy: 1.2826508455228849
Energy: 1.2663182058426896
Energy: 1.2820279831304529
Energy: 1.2663182058426896
Energy: 1.2369362288755745
Energy: 1.2833571390066922
Energy: 1.3083985662872541
Energy: 1.2833571390066922
Energy: 1.5312645133117373
Energy: 1.2375188095143366
Energy: 1.3884608921723691
Energy: 1.2375188095143366
Energy: 1.416609201991233
Energy: 1.3459204834896608
Energy: 1.3896679695537715
Energy: 1.3459204834896608
Energy: 1.3375841531448338
Energy: 1.35714622784967
Energy: 1.482596962762305
Energy: 1.3571462278485262
Energy: 1.260757970781781
Energy: 1.283051598795353
Energy: 1.2508514039719076
Energy: 1.2830515987942093
Energy: 1.4920083889745661
Energy: 1.3101260249827091
Energy: 1.2513913655946416
Energy: 1.3101260249827091
Energy: 1.577242223506699
Energy: 1.2330015976760327
Energy: 1.5645653789947205
Energy: 1.2330015976748887
Energy: 1.3928104996506354
Energy: 1.2328811588215123
Energy: 1.5638163179775892
Energy: 1.2328811588203683
Energy: 1.4777306556213523
Energy: 1.3107950594040256
Energy: 1.2989379073291683
Energy: 1.3107950594040256
Energy: 1.260469860407937
Energy: 1.2837091592187122
Energy: 1.2508167722065975
Energy: 1.2837091592187122
Energy: 1.3113249183230367
Energy: 1.354736032163417
Energy: 1.478542688490762
Energy: 1.3547360321645607
Energy: 1.4168152141153576
Energy: 1.2373043778928183
Energy: 1.392344368912963
Energy: 1.237304377893962
Energy: 1.624067577680582
Energy: 1.2373104074078678
Energy: 1.3885561785523324
Energy: 1.237310407406724
Energy: 1.236971477250207
Energy: 1.2837519213816493
Energy: 1.569735283470389
Energy: 1.2837519213816493
Energy: 1.2589885764211357
Energy: 1.266545072046591
Energy: 1.281749115020623
Energy: 1.266545072045447

minimum gb energy = 1.2328811588203683 eV
minimum distance =  2.27054698590164 Angstroms
sigma value = 73


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

Energy: 1.444861004355491
Energy: 1.357214921459089
Energy: 1.4953930432080071
Energy: 1.3572149214589033
Energy: 1.4695248310987488
Energy: 1.2977984374257703
Energy: 1.4058428451269325
Energy: 1.2977984374255847
Energy: 1.3496356996557253
Energy: 1.3151007441658804
Energy: 1.2293864155030678
Energy: 1.3151007441662517
Energy: 1.2765150213245362
Energy: 1.2568046250981975
Energy: 1.3727497012986816
Energy: 1.2568046250978262
Energy: 1.4298732817440427
Energy: 1.256827949904911
Energy: 1.4592645038733756
Energy: 1.256827949905447
Energy: 1.67056528215967
Energy: 1.379605633341251
Energy: 1.2397418755898306
Energy: 1.379605633341251
Energy: 1.3165856143905117
Energy: 1.3001073434939776
Energy: 1.504518724679523
Energy: 1.3001073434939776
Energy: 1.258614161439524
Energy: 1.2567842297241758
Energy: 1.3604556586431031
Energy: 1.2567842297243408
Energy: 1.5278955552383513
Energy: 1.3148107691343227
Energy: 1.3543901741442756
Energy: 1.3148107691346937
Energy: 1.2568247780532884
Energy: 1.3150949358505564
Energy: 1.3548536277429062
Energy: 1.3150949358505564
Energy: 1.2566734118443428
Energy: 1.2567409035966912
Energy: 1.645670796563419
Energy: 1.2567409035968768
Energy: 1.5647915632252587
Energy: 1.256700225733342
Energy: 1.477831995487795
Energy: 1.25670022573262
Energy: 1.4283252008915825
Energy: 1.2570520159942455
Energy: 1.2384399706605853
Energy: 1.2570520159942455
Energy: 1.314781066494374
Energy: 1.4229216706955259
Energy: 1.5263961172040037
Energy: 1.4229216706951755
Energy: 1.276157989003171
Energy: 1.2566600539544706
Energy: 1.3145443907292749
Energy: 1.2566600539541202
Energy: 1.4076037615593358
Energy: 1.3151697631879375
Energy: 1.2296301307586548
Energy: 1.3151697631875663
Energy: 1.430282698973749
Energy: 1.2382314788711264
Energy: 1.65318920010488
Energy: 1.238231478871312
Energy: 1.4305735755022835
Energy: 1.2381894534196163
Energy: 1.652393354772796
Energy: 1.2381894534198017
Energy: 1.5950352791956361
Energy: 1.3155606698564175
Energy: 1.3147340214769658
Energy: 1.315560669856232
Energy: 1.2760339188347
Energy: 1.2568016751604747
Energy: 1.2294043037830729
Energy: 1.2568016751603095
Energy: 1.3504651445691596
Energy: 1.2777652683491665
Energy: 1.5287208668044276
Energy: 1.2777652683489809
Energy: 1.4283202153562715
Energy: 1.256843119999115
Energy: 1.238348541918423
Energy: 1.2568431199989294

minimum gb energy = 1.2293864155030678 eV
minimum distance =  2.2683213841608 Angstroms
sigma value = 7


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

Energy: 1.5800860415117723
Energy: 1.386342415399345
Energy: 1.4858927635567127
Energy: 1.386342415399345
Energy: 1.516481875494127
Energy: 1.3062352831562858
Energy: 1.31697682235306
Energy: 1.3062352831562858
Energy: 1.2995817594492043
Energy: 1.2794883354488413
Energy: 1.2809507024125575
Energy: 1.2794883354501247
Energy: 1.3048341617678185
Energy: 1.2322140484643538
Energy: 1.2803032823903395
Energy: 1.2322140484643538
Energy: 1.3932832610376553
Energy: 1.2797112679508336
Energy: 1.231799813318733
Energy: 1.2797112679508336
Energy: 1.8140586300790724
Energy: 1.2318252469159479
Energy: 1.2346364531966996
Energy: 1.2318252469159479
Energy: 1.2735139025170772
Energy: 1.314071704991023
Energy: 1.5851173248289119
Energy: 1.314071704991023
Energy: 1.2347756523115918
Energy: 1.2320964152891098
Energy: 1.3868928019602675
Energy: 1.2320964152891098
Energy: 1.622332623525422
Energy: 1.279994037472775
Energy: 1.3163488741092435
Energy: 1.2799940374714915
Energy: 1.2795290539899564
Energy: 1.2319862922671168
Energy: 1.3051701100443485
Energy: 1.2319862922671168
Energy: 1.279453431313605
Energy: 1.2796310537254902
Energy: 1.3820261386810324
Energy: 1.2796310537254902
Energy: 1.7268354476358965
Energy: 1.2318937823782505
Energy: 1.4957570655184902
Energy: 1.2318937823782505
Energy: 1.7235257694725767
Energy: 1.232284052252056
Energy: 1.4973879898273752
Energy: 1.2322840522507728
Energy: 1.2801419858561804
Energy: 1.2799743295062826
Energy: 1.6509875150695108
Energy: 1.2799743295062826
Energy: 1.2793607344593785
Energy: 1.2319232887333915
Energy: 1.2995561548858987
Energy: 1.2319232887333915
Energy: 1.6212351122700788
Energy: 1.3820558414281332
Energy: 1.3141543883052393
Energy: 1.3820558414281332
Energy: 1.2315311797730812
Energy: 1.2320345312334717
Energy: 1.3869400936434544
Energy: 1.2320345312334717
Energy: 1.2319046809889256
Energy: 1.2796647754785355
Energy: 1.613470132979503
Energy: 1.2796647754785355
Energy: 1.8293489051554985
Energy: 1.2318920251851344
Energy: 1.2316770991518222
Energy: 1.2318920251851344
Energy: 1.3880048235638367
Energy: 1.2802892436422315
Energy: 1.2317088521978772
Energy: 1.280289243643515
Energy: 1.299579848474465
Energy: 1.313857004182737
Energy: 1.3996500480782688
Energy: 1.313857004181454
Energy: 1.2994561565318343
Energy: 1.2799323810251564
Energy: 1.284496498793839
Energy: 1.2799323810251564
Energy: 1.516569320887022
Energy: 1.3081213133654424
Energy: 1.3156833747539411
Energy: 1.3081213133667258
Energy: 1.4947165392501789
Energy: 1.2326346912002915
Energy: 1.7226335275629512
Energy: 1.2326346912002915
Energy: 1.5002552558310123
Energy: 1.2316511473228182
Energy: 1.3018693436664261
Energy: 1.2316511473241016
Energy: 1.3825875356454327
Energy: 1.2802250759741256
Energy: 1.2844383885975608
Energy: 1.2802250759741256
Energy: 1.301266614473617
Energy: 1.232118893963333
Energy: 1.2802034999549508
Energy: 1.232118893963333
Energy: 1.3873754137352843
Energy: 1.2800021039171716
Energy: 1.5564862154548569
Energy: 1.2800021039171716
Energy: 1.3868936660403715
Energy: 1.2317136585149673
Energy: 1.2315157077073484
Energy: 1.2317136585149673
Energy: 1.5907854493910147
Energy: 1.3322771540365355
Energy: 1.5909816689829641
Energy: 1.332277154035252
Energy: 1.2315069629385995
Energy: 1.2316954442535748
Energy: 1.3868936660416549
Energy: 1.2316954442535748

minimum gb energy = 1.2315069629385995 eV
minimum distance =  2.28850305395576 Angstroms
sigma value = 29


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

Energy: 1.111248868262523
Energy: 1.1997876601581947
Energy: 1.498306424649775
Energy: 1.1997876601577475
Energy: 1.5771307397551515
Energy: 1.1905805159028848
Energy: 1.1976533298059862
Energy: 1.190580515903307
Energy: 1.4980187996202772
Energy: 1.1676526254551376
Energy: 1.1689497491951628
Energy: 1.1676526254551376
Energy: 1.6281902888631228
Energy: 1.1998376291945372
Energy: 1.168374988037007
Energy: 1.1998376291945372
Energy: 1.6633536379723766
Energy: 1.1677803829669406
Energy: 1.1681804082415816
Energy: 1.167780382966494
Energy: 1.448502251780956
Energy: 1.1688990982384933
Energy: 1.1677835028484365
Energy: 1.1688990982389154
Energy: 1.5773692965629365
Energy: 1.1676099927813364
Energy: 1.4772196692955466
Energy: 1.1676099927813364
Energy: 1.1097509027166192
Energy: 1.1692173542090727
Energy: 1.833585468082822
Energy: 1.1692173542086257
Energy: 1.6150122231416513
Energy: 1.1981120760886226
Energy: 1.1985938519463184
Energy: 1.1981120760886226

minimum gb energy = 1.1097509027166192 eV
minimum distance =  2.34076091284123 Angstroms
sigma value = 5


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

Energy: 1.36201727540264
Energy: 1.2384286225332028
Energy: 1.547972882863452
Energy: 1.238428622534415
Energy: 1.356141204508041
Energy: 1.2125165724474656
Energy: 1.3198034723865963
Energy: 1.2125165724474656
Energy: 1.275046809305829
Energy: 1.2675736963918731
Energy: 1.2659508841844147
Energy: 1.2675736963918731
Energy: 1.2749510881267958
Energy: 1.2767825899716163
Energy: 1.3436096702480866
Energy: 1.2767825899716163
Energy: 1.2065269083844194
Energy: 1.2667121233952252
Energy: 1.2386801151400848
Energy: 1.2667121233964374
Energy: 1.339042889512622
Energy: 1.296194102308487
Energy: 1.2359606999405555
Energy: 1.2961941023072752
Energy: 1.3407243209269881
Energy: 1.2504184934584608
Energy: 1.393248967070224
Energy: 1.2504184934584608
Energy: 1.343215123420851
Energy: 1.249880923550858
Energy: 1.5186657850034366
Energy: 1.249880923550858
Energy: 1.5440937755606692
Energy: 1.2300509703336182
Energy: 1.3331776149163634
Energy: 1.2300509703324063
Energy: 1.545998163274669
Energy: 1.2302966993028854
Energy: 1.335798372700107
Energy: 1.2302966993028854
Energy: 1.2658245808434399
Energy: 1.2677179924238988
Energy: 1.4041694404064635
Energy: 1.2677179924226865
Energy: 1.2668433007378175
Energy: 1.2675475887846404
Energy: 1.2360007020836201
Energy: 1.2675475887846404
Energy: 1.3698583331757892
Energy: 1.3189104704625798
Energy: 1.2347805199016981
Energy: 1.3189104704625798
Energy: 1.2243510653800889
Energy: 1.2688383155479577
Energy: 1.2349041099529217
Energy: 1.2688383155479577
Energy: 1.247052678584728
Energy: 1.3688502640770661
Energy: 1.4440406364758498
Energy: 1.3688502640782785
Energy: 1.5870538718614204
Energy: 1.2411628045058902
Energy: 1.3319311940603253
Energy: 1.2411628045046779
Energy: 1.43941234027771
Energy: 1.2313994877320795
Energy: 1.4604884322123466
Energy: 1.2313994877320795
Energy: 1.245095896031271
Energy: 1.2519917238190719
Energy: 1.5239145149826279
Energy: 1.2519917238190719
Energy: 1.3416235693021639
Energy: 1.2475124213654278
Energy: 1.295259349249443
Energy: 1.2475124213642157
Energy: 1.263429791732641
Energy: 1.26702259173725
Energy: 1.2408318050630127
Energy: 1.2670225917384623
Energy: 1.264516666170331
Energy: 1.2761182590540399
Energy: 1.2961494630985313
Energy: 1.2761182590540399
Energy: 1.354443371017649
Energy: 1.2671315851697287
Energy: 1.2498976360456806
Energy: 1.267131585170941
Energy: 1.2752411313578584
Energy: 1.2662076647346379
Energy: 1.2517842386225109
Energy: 1.2662076647346379
Energy: 1.4670871536346635
Energy: 1.2273131687117687
Energy: 1.6487332880676835
Energy: 1.2273131687117687
Energy: 1.4627400171167357
Energy: 1.2277507978425457
Energy: 1.7012095402787193
Energy: 1.2277507978413338
Energy: 1.4508506349437476
Energy: 1.2658351538842871
Energy: 1.2497042908784515
Energy: 1.2658351538867116
Energy: 1.2788743783609995
Energy: 1.2655832443573294
Energy: 1.2519494547139556
Energy: 1.2655832443573294
Energy: 1.3026435949056618
Energy: 1.2775760078639724
Energy: 1.40828296398552
Energy: 1.2775760078651843
Energy: 1.2651920222591522
Energy: 1.2673115700250055
Energy: 1.238175713109566
Energy: 1.2673115700250055
Energy: 1.357059295778522
Energy: 1.372638096760625
Energy: 1.302955906912596
Energy: 1.372638096760625
Energy: 1.3386704963360208
Energy: 1.2524926221843529
Energy: 1.3905800543381972
Energy: 1.2524926221843529
Energy: 1.3399945511889269
Energy: 1.2205095341130583
Energy: 1.5142333204945462
Energy: 1.220509534111846
Energy: 1.7059679920894955
Energy: 1.2325323119597946
Energy: 1.3312320165339466
Energy: 1.2325323119597946

minimum gb energy = 1.2065269083844194 eV
minimum distance =  2.27536334390918 Angstroms
sigma value = 1


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

Energy: 1.2332089704861968
Energy: 1.1846579395058003
Energy: 1.5526867347355868
Energy: 1.1846579395058003
Energy: 1.180125331763807
Energy: 1.1950582730676225
Energy: 1.2463966060944112
Energy: 1.1950582730676225
Energy: 1.3913751145728201
Energy: 1.2452443876487482
Energy: 1.308906920308915
Energy: 1.2452443876487482
Energy: 1.2455830251122741
Energy: 1.2457122341557023
Energy: 1.2724837189066878
Energy: 1.2457122341557023
Energy: 1.1955162303507083
Energy: 1.1847696770057505
Energy: 1.1954508859045399
Energy: 1.1847696770057505
Energy: 1.195978835701876
Energy: 1.245978073573412
Energy: 1.1954129914947076
Energy: 1.245978073573412
Energy: 1.272818315582965
Energy: 1.2454757655848674
Energy: 1.3895117419179892
Energy: 1.2454757655848674
Energy: 1.2771472479360002
Energy: 1.24518464627726
Energy: 1.3926044914311924
Energy: 1.24518464627726
Energy: 1.4792935121044573
Energy: 1.1844754676502942
Energy: 1.203980336666936
Energy: 1.1844754676502942
Energy: 1.4792935121044573
Energy: 1.1844618828799558
Energy: 1.2039828738321003
Energy: 1.1844618828799558
Energy: 1.2755912454266687
Energy: 1.2452140748547225
Energy: 1.3926044914295164
Energy: 1.2452140748547225
Energy: 1.2727995972036927
Energy: 1.2454885550489498
Energy: 1.3895117419179892
Energy: 1.2454885550489498
Energy: 1.1961117478089027
Energy: 1.2460373438322858
Energy: 1.1952892685452985
Energy: 1.2460373438322858
Energy: 1.1955149804992937
Energy: 1.1848044420826558
Energy: 1.1956020559869243
Energy: 1.1848044420826558
Energy: 1.2454678146484603
Energy: 1.2455683222896043
Energy: 1.2724177243376502
Energy: 1.2455683222896043
Energy: 1.3913751145728201
Energy: 1.245243469416033
Energy: 1.3087968348946866
Energy: 1.245243469416033
Energy: 1.180192312817316
Energy: 1.1948829327625974
Energy: 1.2463870490687488
Energy: 1.1948829327625974
Energy: 1.2332089704861968
Energy: 1.1846579395058003
Energy: 1.5526867336835006
Energy: 1.1846579395058003
Energy: 1.180125331763807
Energy: 1.1950582730676225
Energy: 1.2463966060944112
Energy: 1.1950582730676225
Energy: 1.3913751145728201
Energy: 1.2452443876487482
Energy: 1.308906920308915
Energy: 1.2452443876487482
Energy: 1.2455830251122741
Energy: 1.2457122341557023
Energy: 1.2724837189066878
Energy: 1.2457122341557023
Energy: 1.1955162303507083
Energy: 1.1847696770057505
Energy: 1.1954508859045399
Energy: 1.1847696770057505
Energy: 1.195978835701876
Energy: 1.245978073573412
Energy: 1.1954129914947076
Energy: 1.245978073573412
Energy: 1.272818315582965
Energy: 1.2454757655848674
Energy: 1.3895117419196652
Energy: 1.2454757655848674

minimum gb energy = 1.180125331763807 eV
minimum distance =  2.2867557463271 Angstroms
sigma value = 17


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

Energy: 1.4187571567206898
Energy: 1.2189634163373195
Energy: 1.7822892890078657
Energy: 1.2189634163362837
Energy: 1.3134327404178752
Energy: 1.2241815369774225
Energy: 1.296464878151707
Energy: 1.2241815369753504
Energy: 1.2460196661492968
Energy: 1.2232959752952646
Energy: 1.2374053639913016
Energy: 1.2232959752942287
Energy: 1.2739553899566785
Energy: 1.2346744605304218
Energy: 1.3800731611496906
Energy: 1.234674460529386
Energy: 1.2524549697630423
Energy: 1.2176705889520716
Energy: 1.2411727407051072
Energy: 1.2176705889541435
Energy: 1.2619459095932555
Energy: 1.24920089840801
Energy: 1.2412041055069172
Energy: 1.24920089840801
Energy: 1.2272822891709922
Energy: 1.2304753975256335
Energy: 1.2180952769587285
Energy: 1.2304753975235616
Energy: 1.2254448511135152
Energy: 1.2304364235895437
Energy: 1.251521296582257
Energy: 1.2304364235895437
Energy: 1.4511001016544423
Energy: 1.2067112704895406
Energy: 1.391561931125556
Energy: 1.206711270490577
Energy: 1.4908547640576617
Energy: 1.206932570377473
Energy: 1.391253859884223
Energy: 1.206932570377473
Energy: 1.2857490713142194
Energy: 1.2108049808467773
Energy: 1.2518843042679937
Energy: 1.2108049808467773
Energy: 1.282561147489217
Energy: 1.2110581761818124
Energy: 1.25022427831829
Energy: 1.2110581761818124
Energy: 1.2702375582116017
Energy: 1.2361788490066015
Energy: 1.2414610130361594
Energy: 1.2361788490045298
Energy: 1.2267278230919267
Energy: 1.2178670622321623
Energy: 1.2401960309098408
Energy: 1.217867062231126
Energy: 1.2256710992003024
Energy: 1.2569751835511571
Energy: 1.245264728204638
Energy: 1.2569751835521932
Energy: 1.2286077925231564
Energy: 1.2305311102801095
Energy: 1.2371914764441536
Energy: 1.2305311102811454
Energy: 1.3772387404699924
Energy: 1.2124770088332266
Energy: 1.2762424030723467
Energy: 1.2124770088311547
Energy: 1.2795560391056184
Energy: 1.2199281928289567
Energy: 1.4726108840395915
Energy: 1.2199281928279209
Energy: 1.2804943687886532
Energy: 1.200905782465277
Energy: 1.2765805073431808
Energy: 1.200905782466313
Energy: 1.590874380519483
Energy: 1.215502972125991
Energy: 1.2814224058443142
Energy: 1.2155029721280628
Energy: 1.2583466840150805
Energy: 1.3286227182095003
Energy: 1.3699700658999596
Energy: 1.3286227182105366
Energy: 1.22653385912608
Energy: 1.2180737839568367
Energy: 1.2250776130619678
Energy: 1.2180737839589084
Energy: 1.3248667491398431
Energy: 1.3025900810508422
Energy: 1.27662309443093
Energy: 1.3025900810498061
Energy: 1.2192958494332125
Energy: 1.231111530787291
Energy: 1.2053207348537267
Energy: 1.231111530786255
Energy: 1.2206562716157126
Energy: 1.2579981967855702
Energy: 1.2924644462721586
Energy: 1.2579981967845344
Energy: 1.2476493013556258
Energy: 1.2182843272364647
Energy: 1.2240620582235218
Energy: 1.2182843272343926
Energy: 1.330683886465869
Energy: 1.2184578401397101
Energy: 1.2868196959498566
Energy: 1.2184578401386739
Energy: 1.3838378955795798
Energy: 1.192658927332651
Energy: 1.6599397373230946
Energy: 1.1926589273305792
Energy: 1.3888272107710933
Energy: 1.1933445319006157
Energy: 1.503256544057171
Energy: 1.1933445319006157
Energy: 1.2460769529193387
Energy: 1.2185581347081766
Energy: 1.2242791892434195
Energy: 1.2185581347081766
Energy: 1.2491708572838447
Energy: 1.21867744877238
Energy: 1.286976393734237
Energy: 1.2186774487734158
Energy: 1.219181241610954
Energy: 1.2560080059709933
Energy: 1.248423491920621
Energy: 1.2560080059709933
Energy: 1.220725785458133
Energy: 1.2315261349988946
Energy: 1.2032452618218157
Energy: 1.2315261349999307
Energy: 1.3019236487604409
Energy: 1.2347135490904235
Energy: 1.225625200596868
Energy: 1.2347135490914596
Energy: 1.225330991898782
Energy: 1.2187797460086192
Energy: 1.2582264571711612
Energy: 1.218779746010691
Energy: 1.3345539104334951
Energy: 1.1987400871968836
Energy: 1.3714976453565424
Energy: 1.1987400871958476
Energy: 1.6446735728514466
Energy: 1.2101446315666904
Energy: 1.281194900615881
Energy: 1.2101446315656545
Energy: 1.378592514414519
Energy: 1.200131579342727
Energy: 1.293963454647865
Energy: 1.2001315793416911

minimum gb energy = 1.1926589273305792 eV
minimum distance =  2.28195671251184 Angstroms
sigma value = 89


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

Energy: 1.3183166483061046
Energy: 1.1369074572206483
Energy: 1.5232705006196479
Energy: 1.1369074572204019
Energy: 1.219202189729857
Energy: 1.1699486340715672
Energy: 1.2722131016759772
Energy: 1.1699486340710126
Energy: 1.341847989277414
Energy: 1.127937931385922
Energy: 1.1420524999036155
Energy: 1.1279379313853672
Energy: 1.1898529890761413
Energy: 1.198465417244202
Energy: 1.3419878990366714
Energy: 1.198465417244479
Energy: 1.2057480269928555
Energy: 1.1836988180209247
Energy: 1.1853134517870978
Energy: 1.1836988180206474
Energy: 1.1824100074569894
Energy: 1.3563525391826259
Energy: 1.1852915203327814
Energy: 1.3563525391828721
Energy: 1.1852740600376195
Energy: 1.1280738641985568
Energy: 1.185056879624131
Energy: 1.1280738641980332
Energy: 1.1835231911264206
Energy: 1.1956146960709795
Energy: 1.344487806612028
Energy: 1.1956146960709795
Energy: 1.34316419162844
Energy: 1.1838948469329411
Energy: 1.1225734151845832
Energy: 1.1838948469329411
Energy: 1.1827353619100736
Energy: 1.1847146524370868
Energy: 1.121349203831008
Energy: 1.184714652437364
Energy: 1.2629941834866503
Energy: 1.1278988263034075
Energy: 1.3443972817481595
Energy: 1.1278988263031304
Energy: 1.2628390852261442
Energy: 1.1289069404873235
Energy: 1.3443707791856692
Energy: 1.1289069404873235
Energy: 1.342962754304948
Energy: 1.1840634766027267
Energy: 1.1230216922596918
Energy: 1.1840634766035276
Energy: 1.3415869357016212
Energy: 1.1849800077424193
Energy: 1.121232604610238
Energy: 1.1849800077424193
Energy: 1.1849281575610986
Energy: 1.183881331717992
Energy: 1.257078512549898
Energy: 1.183881331717992

minimum gb energy = 1.121232604610238 eV
minimum distance =  2.28424827643808 Angstroms
sigma value = 13


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

Energy: 1.194225728748315
Energy: 1.1038196004300287
Energy: 1.4798777043049764
Energy: 1.1038196004288923
Energy: 1.1863308800740542
Energy: 1.1015704177654588
Energy: 1.135181571565497
Energy: 1.1015704177654588
Energy: 1.2331318407379008
Energy: 1.0862293984661358
Energy: 1.183707019389227
Energy: 1.0862293984649996
Energy: 1.1700760696602013
Energy: 1.105849482579034
Energy: 1.1347997741947529
Energy: 1.105849482579034
Energy: 1.1131947263215385
Energy: 1.1150445895148073
Energy: 1.1538901679806242
Energy: 1.1150445895136711
Energy: 1.2385070506050107
Energy: 1.1158766576048078
Energy: 1.1736072208454098
Energy: 1.1158766576048078
Energy: 1.1378486855871357
Energy: 1.0863256067303335
Energy: 1.1468492675436934
Energy: 1.0863256067303335
Energy: 1.1409307726015163
Energy: 1.1309240090378514
Energy: 1.1363858121579358
Energy: 1.1309240090378514
Energy: 1.1473343923110924
Energy: 1.1149199033025055
Energy: 1.1046863332720323
Energy: 1.1149199033036414
Energy: 1.308690449157575
Energy: 1.1156058731886997
Energy: 1.194219192599024
Energy: 1.1156058731886997
Energy: 1.1661074080660772
Energy: 1.0862601836773957
Energy: 1.2270450759314449
Energy: 1.0862601836773957
Energy: 1.158521906982222
Energy: 1.0871285971381812
Energy: 1.1365182672077947
Energy: 1.0871285971393172
Energy: 1.2234197951175032
Energy: 1.0993439644825402
Energy: 1.1699053503240802
Energy: 1.0993439644825402
Energy: 1.2160223856837464
Energy: 1.1014348196025616
Energy: 1.2998575910587362
Energy: 1.1014348196025616
Energy: 1.1657808455736784
Energy: 1.0863271277240445
Energy: 1.2255341585208044
Energy: 1.0863271277240445
Energy: 1.1585678163713538
Energy: 1.0873116783293708
Energy: 1.2333120072745665
Energy: 1.0873116783293708
Energy: 1.2236870235229373
Energy: 1.1148858579247138
Energy: 1.1047887132627334
Energy: 1.1148858579247138
Energy: 1.1534916000664786
Energy: 1.11535877364686
Energy: 1.1946480595565376
Energy: 1.11535877364686
Energy: 1.1374507976794401
Energy: 1.0870512854892949
Energy: 1.1419767502537388
Energy: 1.0870512854892949
Energy: 1.1419916332485796
Energy: 1.087024242430031
Energy: 1.137450750240723
Energy: 1.087024242430031
Energy: 1.1946605064471927
Energy: 1.115147712216563
Energy: 1.1535184401638217
Energy: 1.115147712216563
Energy: 1.104772447842777
Energy: 1.1148670552522837
Energy: 1.223687023527482
Energy: 1.1148670552522837
Energy: 1.233312007270022
Energy: 1.0868286658272226
Energy: 1.1585330322696274
Energy: 1.0868286658272226
Energy: 1.2255341585139876
Energy: 1.0863178587277111
Energy: 1.158598073750533
Energy: 1.0863178587288471
Energy: 1.2997480871115592
Energy: 1.1014784536367572
Energy: 1.215980345843234
Energy: 1.1014784536367572
Energy: 1.1764657137469134
Energy: 1.0993431154381035
Energy: 1.2234197951163672
Energy: 1.0993431154381035
Energy: 1.136485809305413
Energy: 1.0871558449922705
Energy: 1.1586040346101771
Energy: 1.0871558449911343
Energy: 1.227045075932581
Energy: 1.0862499023208552
Energy: 1.1652033181039982
Energy: 1.0862499023208552
Energy: 1.1941718525738674
Energy: 1.1156084670362518
Energy: 1.3090223566693746
Energy: 1.1156084670351156
Energy: 1.1047094949406078
Energy: 1.1149218307470574
Energy: 1.147408932707261
Energy: 1.1149218307470574
Energy: 1.1363996577162327
Energy: 1.1309269766557806
Energy: 1.1409308277986654
Energy: 1.1309269766546444
Energy: 1.1468398136380964
Energy: 1.086317265976545
Energy: 1.1378857155329205
Energy: 1.086317265976545
Energy: 1.1736336670573726
Energy: 1.1156418577055223
Energy: 1.2384209382873237
Energy: 1.1156418577055223
Energy: 1.153896677719633
Energy: 1.1150291823433656
Energy: 1.113189294685088
Energy: 1.1150291823433656
Energy: 1.1351508804696522
Energy: 1.1058513884516268
Energy: 1.1702980590541785
Energy: 1.1058513884516268

minimum gb energy = 1.0862293984649996 eV
minimum distance =  2.30445480820785 Angstroms
sigma value = 37


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

Energy: 1.1888859189884862
Energy: 1.0322308597108
Energy: 1.429021938765538
Energy: 1.032230859711
Energy: 1.2170940413080826
Energy: 1.051905082843922
Energy: 1.1087300303116085
Energy: 1.051905082844122
Energy: 1.2253066246097148
Energy: 1.015799136315149
Energy: 1.140461455378455
Energy: 1.015799136315349
Energy: 1.147719305761207
Energy: 1.0315106455183052
Energy: 1.1086278919933628
Energy: 1.0315106455184828
Energy: 1.1031781929668856
Energy: 1.0137873067503502
Energy: 1.2144549059429464
Energy: 1.01378730675055
Energy: 1.1908034319207252
Energy: 1.0563075893309763
Energy: 1.1289800490925643
Energy: 1.0563075893307765
Energy: 1.1058279208901791
Energy: 1.0158075556727144
Energy: 1.1000774434990408
Energy: 1.0158075556723145
Energy: 1.1051826433375067
Energy: 1.1564630774943718
Energy: 1.124426342985251
Energy: 1.1564630774941942
Energy: 1.1124906128117988
Energy: 1.0138172747457022
Energy: 1.1243559802492846
Energy: 1.0138172747461018
Energy: 1.190143159989024
Energy: 1.0562303482692343
Energy: 1.1249956060052457
Energy: 1.056230348269812
Energy: 1.0752292602884255
Energy: 1.0157083672183587
Energy: 1.2128140339445188
Energy: 1.0157083672183587
Energy: 1.0851566235895354
Energy: 1.0579934233165231
Energy: 1.1703273840956583
Energy: 1.0579934233163233
Energy: 1.2253418364451312
Energy: 1.014000779562832
Energy: 1.134864512837179
Energy: 1.014000779562832
Energy: 1.0702381339117664
Energy: 1.0162779842231862
Energy: 1.1366233974486182
Energy: 1.0162779842233862
Energy: 1.1391628297665524
Energy: 1.0312090383382295
Energy: 1.2128024722501078
Energy: 1.0312090383382295
Energy: 1.1065179176746398
Energy: 1.0387502862627416
Energy: 1.166879024714262
Energy: 1.0387502862629416
Energy: 1.225577619868353
Energy: 1.0139934644054813
Energy: 1.134931594912319
Energy: 1.0139934644062587
Energy: 1.147414025551314
Energy: 1.0161357741766857
Energy: 1.136243003818642
Energy: 1.016135774177263
Energy: 1.0753721263246165
Energy: 1.015702157290071
Energy: 1.2130609460797184
Energy: 1.015702157289871
Energy: 1.075418901735735
Energy: 1.0575147483301426
Energy: 1.2145313255053383
Energy: 1.0575147483299425

minimum gb energy = 1.0137873067503502 eV
minimum distance =  2.29662429383649 Angstroms
sigma value = 25


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

Energy: 1.1192770545790283
Energy: 0.9441367068825389
Energy: 1.2615271217186963
Energy: 0.9441367068825389
Energy: 0.9950868853283015
Energy: 0.9717727112512694
Energy: 1.0348407618261573
Energy: 0.9717727112512694
Energy: 1.0911372532651826
Energy: 0.9282607732021775
Energy: 1.0921367790967913
Energy: 0.9282607732006511
Energy: 1.0408573016780844
Energy: 0.9798708519073625
Energy: 1.034758507392555
Energy: 0.9798708519073625
Energy: 1.0452220113977673
Energy: 0.921354375579562
Energy: 1.0799458817668603
Energy: 0.921354375579562
Energy: 1.0411133471849885
Energy: 0.9406862433962879
Energy: 1.0681226502122037
Energy: 0.9406862433962879
Energy: 1.020363831746159
Energy: 0.9211887051865056
Energy: 1.0455322648741099
Energy: 0.9211887051865056
Energy: 1.0451359206242545
Energy: 0.9443171455758056
Energy: 1.0822433243845102
Energy: 0.9443171455758056
Energy: 1.0153550084376701
Energy: 0.9215845680054803
Energy: 1.0369292258642941
Energy: 0.9215845680054803
Energy: 1.0633717740163127
Energy: 0.9962662140681177
Energy: 1.046539105190502
Energy: 0.9962662140681177
Energy: 1.0074531753687836
Energy: 0.9210204974220534
Energy: 1.0446592925018159
Energy: 0.921020497420527
Energy: 1.0421940921499964
Energy: 0.9442940304888429
Energy: 1.06778133585542
Energy: 0.9442940304888429
Energy: 1.023182450673115
Energy: 0.9216731430204332
Energy: 1.0187181434182724
Energy: 0.9216731430219594
Energy: 1.1159502299213482
Energy: 0.9437670933280307
Energy: 1.009086441084116
Energy: 0.9437670933265043
Energy: 0.9927588358880175
Energy: 0.9211508276565249
Energy: 1.0823088407108128
Energy: 0.9211508276565249
Energy: 1.016962889077516
Energy: 0.9212548777236144
Energy: 1.0336548840552457
Energy: 0.9212548777236144
Energy: 1.0875934257594664
Energy: 0.9283619347270661
Energy: 1.0088362592961897
Energy: 0.9283619347270661
Energy: 0.9998665586547412
Energy: 0.9540322079096065
Energy: 1.0094319173515964
Energy: 0.9540322079096065
Energy: 1.0294312878164036
Energy: 0.9425128695352732
Energy: 1.08401111235525
Energy: 0.9425128695352732
Energy: 1.0386481397937433
Energy: 0.9432148111454502
Energy: 1.033425062634919
Energy: 0.943214811143924
Energy: 1.087377589905646
Energy: 0.9285414652946246
Energy: 1.0089539908370346
Energy: 0.9285414652930981
Energy: 1.0577513230886186
Energy: 0.9382501723689619
Energy: 1.0094421408641319
Energy: 0.9382501723689619
Energy: 0.9926658024213987
Energy: 0.9213155596860829
Energy: 1.0794514519294982
Energy: 0.9213155596860829
Energy: 1.0403870390151129
Energy: 0.9208917598595451
Energy: 1.0586051675706998
Energy: 0.9208917598595451
Energy: 1.0242686781007901
Energy: 0.921641819001277
Energy: 1.0190690998526022
Energy: 0.921641819001277
Energy: 1.0925500210392853
Energy: 0.9434411314888808
Energy: 1.009333455992759
Energy: 0.9434411314888808

minimum gb energy = 0.9208917598595451 eV
minimum distance =  2.30606767261123 Angstroms
sigma value = 41


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

Energy: 1.040849397888573
Energy: 0.8764722579285028
Energy: 1.1385573451161948
Energy: 0.8764722579285028
Energy: 0.9296093851311694
Energy: 0.889329008528942
Energy: 0.9793134102456991
Energy: 0.8893290085301934
Energy: 0.9907980727493848
Energy: 0.857569389985142
Energy: 0.9982065376810308
Energy: 0.857569389985142
Energy: 0.9809046307368958
Energy: 0.9243688109233522
Energy: 0.9792879115627201
Energy: 0.9243688109246034
Energy: 0.9887482576843516
Energy: 0.8479061312008249
Energy: 0.9822444881758121
Energy: 0.8479061312008249
Energy: 0.9808463840171958
Energy: 0.8656022579624988
Energy: 0.9637377787410404
Energy: 0.8656022579624988
Energy: 0.9947106476946026
Energy: 0.8444743531903529
Energy: 0.985311100244024
Energy: 0.8444743531903529
Energy: 0.9806675837055884
Energy: 0.8701316884953052
Energy: 0.9635437276658686
Energy: 0.8701316884953052
Energy: 0.9876450467754001
Energy: 0.8445262664546636
Energy: 0.9593794564967576
Energy: 0.8445262664534123
Energy: 0.980585851079943
Energy: 0.9013782878313203
Energy: 0.9777062319606584
Energy: 0.901378287830069
Energy: 0.974493189362529
Energy: 0.8446688013452858
Energy: 0.9627500337178356
Energy: 0.844668801346537
Energy: 0.968741998764782
Energy: 0.8881853917323781
Energy: 0.977700428100513
Energy: 0.8881853917323781
Energy: 0.9813363867891753
Energy: 0.844623948231809
Energy: 0.9558312282433605
Energy: 0.8446239482330603
Energy: 0.9804710777471953
Energy: 0.8581781873299876
Energy: 0.967055661446516
Energy: 0.8581781873287363
Energy: 0.9306728187119853
Energy: 0.8445564092429052
Energy: 0.9633402202154179
Energy: 0.8445564092429052
Energy: 0.9306295037191082
Energy: 0.8580546577296744
Energy: 0.9947442767129447
Energy: 0.858054657728423
Energy: 0.9986008790779137
Energy: 0.8443530905111565
Energy: 0.9233283822570938
Energy: 0.8443530905136591
Energy: 0.9772420704803771
Energy: 0.8442557541219835
Energy: 0.9413417285947379
Energy: 0.8442557541219835
Energy: 0.9312706685731776
Energy: 0.8471837696525027
Energy: 0.9838717365590248
Energy: 0.8471837696550054
Energy: 0.9344386136921814
Energy: 0.9134542090232782
Energy: 0.9369061868203902
Energy: 0.9134542090232782
Energy: 0.9881280414124843
Energy: 0.8563421904339512
Energy: 0.9407954650884505
Energy: 0.8563421904339512
Energy: 0.9318393868721313
Energy: 0.8765866109027768
Energy: 0.9756585626259924
Energy: 0.8765866109040282
Energy: 0.9661784921418594
Energy: 0.8754119590376107
Energy: 0.9863714122071264
Energy: 0.8754119590376107
Energy: 0.9909710082291067
Energy: 0.8788783324087093
Energy: 0.9624944152535488
Energy: 0.8788783324087093
Energy: 0.9877573601658131
Energy: 0.8563389333637208
Energy: 0.9408680133326193
Energy: 0.8563389333624696
Energy: 0.9773679264510244
Energy: 0.8575737004922037
Energy: 0.9755197198187575
Energy: 0.8575737004922037
Energy: 0.9313188171581062
Energy: 0.847334905189804
Energy: 0.9863714376190095
Energy: 0.8473349051885527
Energy: 0.9654034322166819
Energy: 0.8553464570842259
Energy: 0.9947469517143482
Energy: 0.8553464570842259
Energy: 0.9935635914706801
Energy: 0.8442633138681896
Energy: 0.9234741579028661
Energy: 0.8442633138681896
Energy: 0.9808075212789235
Energy: 0.8439530379655387
Energy: 0.9668417611981754
Energy: 0.8439530379667901
Energy: 0.930971946628994
Energy: 0.8444053630031684
Energy: 0.9584259174589498
Energy: 0.8444053630044198
Energy: 0.9306768384248029
Energy: 0.8577047749924162
Energy: 1.0022733125004815
Energy: 0.8577047749924162

minimum gb energy = 0.8439530379655387 eV
minimum distance =  2.31355145704138 Angstroms
sigma value = 15


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

Energy: 0.9682635141335844
Energy: 0.8145080324827181
Energy: 1.043279223055202
Energy: 0.814508032481658
Energy: 0.9229929178835827
Energy: 0.8672407572815602
Energy: 0.914288754405514
Energy: 0.8672407572805003
Energy: 0.9136227873409809
Energy: 0.8045112913536377
Energy: 0.9430549696540479
Energy: 0.8045112913546979
Energy: 0.9106827358208551
Energy: 0.8165925401990308
Energy: 0.9143332448838093
Energy: 0.8165925401990308
Energy: 0.9296885504800055
Energy: 0.792891774512432
Energy: 0.9073168980191918
Energy: 0.792891774512432
Energy: 0.910482282495632
Energy: 0.8520767503578132
Energy: 0.9121559042846582
Energy: 0.8520767503599332
Energy: 0.9176393864012241
Energy: 0.7828265386697736
Energy: 0.9397207822231699
Energy: 0.7828265386697736
Energy: 0.9030018064342673
Energy: 0.8525557538214766
Energy: 0.9122625191637649
Energy: 0.8525557538225367
Energy: 0.9323240412125909
Energy: 0.781690667030113
Energy: 0.894501438974907
Energy: 0.781690667030113
Energy: 0.9028514611255634
Energy: 0.7984003589598034
Energy: 0.9144633281566533
Energy: 0.7984003589576834
Energy: 0.9062231002550384
Energy: 0.7817919113906051
Energy: 0.9110898303382847
Energy: 0.7817919113937853
Energy: 0.9125646291486241
Energy: 0.8181516118732486
Energy: 0.914001779497556
Energy: 0.8181516118743088
Energy: 0.9131972196317107
Energy: 0.781883153121657
Energy: 0.8940040996415795
Energy: 0.7818831531195368
Energy: 0.9127612676192625
Energy: 0.8096939210806754
Energy: 0.907319930305822
Energy: 0.8096939210827955
Energy: 0.9078487979263065
Energy: 0.7819371302070616
Energy: 0.8975906094521583
Energy: 0.7819371302060014
Energy: 0.9120861751396605
Energy: 0.8096890728221081
Energy: 0.9140473837001167
Energy: 0.8096890728221081
Energy: 0.9099720671833482
Energy: 0.7818080473950437
Energy: 0.9058499404129655
Energy: 0.7818080473929235
Energy: 0.9197730667444602
Energy: 0.7905598171479613
Energy: 0.8767410221818006
Energy: 0.7905598171479613
Energy: 0.8713744146700765
Energy: 0.7816527279572137
Energy: 0.8981833997124506
Energy: 0.7816527279550936
Energy: 0.9053466514876747
Energy: 0.7981040401644433
Energy: 0.9079775262657923
Energy: 0.7981040401633831
Energy: 0.9214314848142886
Energy: 0.7832370453085782
Energy: 0.8788556036192146
Energy: 0.7832370453075181
Energy: 0.9218191121956572
Energy: 0.8451264338131504
Energy: 0.9038237248114267
Energy: 0.8451264338152704
Energy: 0.8800014313972457
Energy: 0.7927674091698415
Energy: 0.9086021699898138
Energy: 0.7927674091698415
Energy: 0.913658135937255
Energy: 0.8574243487815589
Energy: 0.9202531777108146
Energy: 0.8574243487815589
Energy: 0.9116249420804562
Energy: 0.80133458712217
Energy: 0.8942414552880831
Energy: 0.80133458712323
Energy: 0.8788171624872444
Energy: 0.8199481485029432
Energy: 0.9220128077368694
Energy: 0.8199481485018832
Energy: 0.9048978178945835
Energy: 0.8141224382166555
Energy: 0.9103817667654663
Energy: 0.8141224382155955
Energy: 0.9230673339091733
Energy: 0.8258052322721648
Energy: 0.9204359925901456
Energy: 0.825805232273225
Energy: 0.9180652163666277
Energy: 0.8013159198506972
Energy: 0.8942563435569514
Energy: 0.8013159198506972
Energy: 0.9223252479581937
Energy: 0.8035504587789228
Energy: 0.9219781743834613
Energy: 0.8035504587789228
Energy: 0.8799792703109175
Energy: 0.7928645150253587
Energy: 0.9100145356611486
Energy: 0.7928645150253587
Energy: 0.9135714726578569
Energy: 0.8033095512608727
Energy: 0.9083636144799094
Energy: 0.8033095512598127
Energy: 0.9171224355931434
Energy: 0.7831808741904845
Energy: 0.8770224627783767
Energy: 0.7831808741904845
Energy: 0.9199774604917008
Energy: 0.7882773624686105
Energy: 0.9044719713851329
Energy: 0.7882773624707304
Energy: 0.8710795564277866
Energy: 0.7818862179628872
Energy: 0.9250738968536648
Energy: 0.7818862179597069
Energy: 0.9062517202443432
Energy: 0.797601284409566
Energy: 0.91457443212144
Energy: 0.797601284410626
Energy: 0.9024071608803714
Energy: 0.7820652167352332
Energy: 0.906179634744226
Energy: 0.7820652167352332

minimum gb energy = 0.7816527279550936 eV
minimum distance =  2.31690173790983 Angstroms
sigma value = 85


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

Energy: 0.9512549396658457
Energy: 0.7585934785233789
Energy: 0.9207417138129033
Energy: 0.7585934785242984
Energy: 0.8296814015483719
Energy: 0.7608832570644133
Energy: 0.8352754998734716
Energy: 0.7608832570644133
Energy: 0.8283973713934742
Energy: 0.756936534185593
Energy: 0.9149313134567806
Energy: 0.756936534185593
Energy: 0.822269378846117
Energy: 0.7582330342794201
Energy: 0.8351522977516076
Energy: 0.7582330342794201
Energy: 0.897442694710169
Energy: 0.7241117231989602
Energy: 0.8284657778407318
Energy: 0.7241117231989602
Energy: 0.8223404557903363
Energy: 0.6707305663166755
Energy: 0.8296144571520887
Energy: 0.6707305663166755
Energy: 0.8416978752700005
Energy: 0.7256119776538259
Energy: 0.8770788642807078
Energy: 0.7256119776529065
Energy: 0.8324377506905081
Energy: 0.7693035298375089
Energy: 0.8295243687658311
Energy: 0.7693035298384074
Energy: 0.8816743946938451
Energy: 0.7078411257605545
Energy: 0.8570643285777143
Energy: 0.7078411257596352
Energy: 0.8325491012106963
Energy: 0.7817420830805192
Energy: 0.836148344569108
Energy: 0.7817420830805192
Energy: 0.8175661083288787
Energy: 0.7078433985179671
Energy: 0.8687633004723809
Energy: 0.7078433985179671
Energy: 0.852536710410207
Energy: 0.7214608509293837
Energy: 0.8356231444688677
Energy: 0.7214608509293837
Energy: 0.8411019145197706
Energy: 0.7080966981193303
Energy: 0.8346808248510397
Energy: 0.7080966981184109
Energy: 0.8522917410846291
Energy: 0.7528194248862461
Energy: 0.8511686199458628
Energy: 0.7528194248862461
Energy: 0.8140246915150474
Energy: 0.7080445866858728
Energy: 0.8451409854307135
Energy: 0.7080445866858728
Energy: 0.8463072075068502
Energy: 0.7520162878463577
Energy: 0.8508658345151495
Energy: 0.7520162878463577
Energy: 0.8178039323705768
Energy: 0.707896820472594
Energy: 0.8343473898212256
Energy: 0.7078968204735132
Energy: 0.8520685572830066
Energy: 0.7517437738869466
Energy: 0.8507916750342562
Energy: 0.7517437738869466
Energy: 0.8298312096341346
Energy: 0.7079222138475787
Energy: 0.8400531150234241
Energy: 0.7079222138475787
Energy: 0.8175984135919172
Energy: 0.7208701625507443
Energy: 0.8497340259208941
Energy: 0.7208701625507443
Energy: 0.8166212464945843
Energy: 0.7079069608461808
Energy: 0.8072185101043502
Energy: 0.7079069608471003
Energy: 0.8329416575936328
Energy: 0.7226678740148966
Energy: 0.8363580149404465
Energy: 0.7226678740139773
Energy: 0.8124297814940946
Energy: 0.7073646268085078
Energy: 0.8547755493964291
Energy: 0.7073646268085078
Energy: 0.8326073297689948
Energy: 0.7685345121004395
Energy: 0.8251647932940106
Energy: 0.7685345121004395
Energy: 0.8445216543623546
Energy: 0.7248287458681179
Energy: 0.8113026346539203
Energy: 0.7248287458681179
Energy: 0.8223679003395764
Energy: 0.7611349877952286
Energy: 0.8297058708136453
Energy: 0.7611349877933898
Energy: 0.8309290867871474
Energy: 0.7240744345957902
Energy: 0.8291542885670767
Energy: 0.7240744345957902
Energy: 0.8417729750940215
Energy: 0.7644383342984219
Energy: 0.8162064689411561
Energy: 0.7644383342984219
Energy: 0.8268935316943444
Energy: 0.7568071756884944
Energy: 0.8294112973607544
Energy: 0.7568071756884944
Energy: 0.8122980355864926
Energy: 0.760582213364381
Energy: 0.8353019022439637
Energy: 0.7605822133653004
Energy: 0.8642935128009405
Energy: 0.7585203508781774
Energy: 0.830813667184914
Energy: 0.758520350877258
Energy: 0.8626147396206837
Energy: 0.7265092235799931
Energy: 0.8158206568796328
Energy: 0.7265092235799931
Energy: 0.8268086017081627
Energy: 0.756845245332734
Energy: 0.8296101034050256
Energy: 0.7568452453318146
Energy: 0.8221548723493982
Energy: 0.7074292076482167
Energy: 0.8352591420385602
Energy: 0.7074292076472973
Energy: 0.8309310732132027
Energy: 0.7241080541387064
Energy: 0.830523966216345
Energy: 0.7241080541377871
Energy: 0.8416291296710905
Energy: 0.7076637964197547
Energy: 0.8252462245904666
Energy: 0.7076637964197547
Energy: 0.841744412123689
Energy: 0.7247382251539403
Energy: 0.8111631315945267
Energy: 0.7247382251530209
Energy: 0.8331470234870874
Energy: 0.7072168013609851
Energy: 0.829704871868057
Energy: 0.7072168013600657
Energy: 0.8125001022159822
Energy: 0.7075085310632644
Energy: 0.8545888653152406
Energy: 0.7075085310632644
Energy: 0.835179804679088
Energy: 0.7070532638860004
Energy: 0.849899625712698
Energy: 0.7070532638860004
Energy: 0.8148791263173638
Energy: 0.7073803978680328
Energy: 0.8071738439373964
Energy: 0.7073803978680328
Energy: 0.852517323993456
Energy: 0.7226523585231158
Energy: 0.8359992060299472
Energy: 0.7226523585231158
Energy: 0.8296829034019756
Energy: 0.7065809404171906
Energy: 0.8369440563927684
Energy: 0.7065809404171906

minimum gb energy = 0.6707305663166755 eV
minimum distance =  2.32513768848017 Angstroms
sigma value = 113


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

Energy: 0.014952163156261845
Energy: 0.015171247096451372
Energy: 1.475229184102691
Energy: 0.015171247096451372
Energy: 0.015607932322845948
Energy: 0.6811048771448566
Energy: 0.015607932322845948
Energy: 0.6811048771448566
Energy: 1.3319308105735725
Energy: 0.015171247096451372
Energy: 0.014952163156261845
Energy: 0.015171247096451372
Energy: 0.015607932322178438
Energy: 0.6811048771448566
Energy: 0.015607932322845948
Energy: 0.6811048771448566
Energy: 0.014952163156261845
Energy: 0.015171247096451372
Energy: 1.475229184102691
Energy: 0.015171247096451372
Energy: 0.01560793232355272
Energy: 0.6811048771448566
Energy: 0.015607932322845948
Energy: 0.6811048771448566

minimum gb energy = 0.014952163156261845 eV
minimum distance =  2.45802806203491 Angstroms
sigma value = 1