Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_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=3.611098542809487
cohesive_energy=4.242432836593574
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: 0.01643190484059401
Energy: 0.017086349527669104
Energy: 0.09256669246357593
Energy: 0.017086349527669104
Energy: 0.017086349527669104
Energy: 1.2128735395295158
Energy: 0.017086349527669104
Energy: 1.2128735395295158
Energy: 0.09256669246357593
Energy: 0.017086349527669104
Energy: 0.01643190484059401
Energy: 0.017086349527669104
Energy: 0.017086349527669104
Energy: 1.2128735395295158
Energy: 0.017086349527669104
Energy: 1.2128735395295158

minimum gb energy = 0.01643190484059401 eV
minimum distance =  2.48771669387597 Angstroms
sigma value = 1


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

Energy: 0.9933491453268966
Energy: 1.0976076538622574
Energy: 0.8829067590338422
Energy: 1.0976076538622574
Energy: 0.956922416017463
Energy: 1.0880530458867845
Energy: 0.9569374841760542
Energy: 1.0880530458867845
Energy: 0.8671393142695126
Energy: 1.0848119450467277
Energy: 0.9476004970281485
Energy: 1.0848119450467277
Energy: 0.9371834755074758
Energy: 1.1063007899818411
Energy: 0.9477867132308457
Energy: 1.1063007899810786
Energy: 0.9418606058836904
Energy: 1.1006032945017552
Energy: 0.9401679809933587
Energy: 1.1006032945017552
Energy: 0.8945403104991004
Energy: 1.2905115957889632
Energy: 0.9269231059058425
Energy: 1.2905115957882007
Energy: 0.9598994826007926
Energy: 1.08578913763574
Energy: 0.8964190334442498
Energy: 1.08578913763574
Energy: 0.8170828701833031
Energy: 1.0988278673543523
Energy: 0.9166905732361053
Energy: 1.0988278673543523
Energy: 0.9495664755797917
Energy: 0.953160666603591
Energy: 0.9420188966892373
Energy: 0.953160666605878
Energy: 0.92899497375831
Energy: 1.0850925345067075
Energy: 0.8017823312226379
Energy: 1.0850925345059452
Energy: 0.939409473365415
Energy: 1.0447265760910236
Energy: 0.9475295659297942
Energy: 1.0447265760925484
Energy: 0.9001471380669892
Energy: 1.0987075666765607
Energy: 0.9434025903997565
Energy: 1.0987075666757982
Energy: 0.956497137228127
Energy: 1.0844054228064586
Energy: 0.9591209101182735
Energy: 1.084405422804934
Energy: 0.9587456484571629
Energy: 1.0922309361448748
Energy: 0.9430531517671794
Energy: 1.0922309361448748
Energy: 0.9394210783242583
Energy: 1.0983369570285753
Energy: 0.9487331188894201
Energy: 1.0983369570293375
Energy: 0.9495818589799264
Energy: 1.0976290086752454
Energy: 0.9483655444903772
Energy: 1.0976290086752454
Energy: 0.9478036420115492
Energy: 1.084773193680853
Energy: 0.8655757259848772
Energy: 1.0847731936816152
Energy: 0.9568532955512911
Energy: 1.0840193658739699
Energy: 0.9564482553077911
Energy: 1.0840193658739699
Energy: 0.7945291014691188
Energy: 1.099244333474359
Energy: 0.9479253994461622
Energy: 1.099244333474359
Energy: 0.9616770155859342
Energy: 0.9526148838146234
Energy: 0.9494074949796851
Energy: 0.9526148838153856
Energy: 0.92615194208731
Energy: 1.0846559556094064
Energy: 0.8350178316083134
Energy: 1.0846559556086441
Energy: 0.9480184076986663
Energy: 1.1065092562322818
Energy: 0.9406218379374447
Energy: 1.1065092562322818
Energy: 0.9396667443037618
Energy: 1.1008790356865703
Energy: 0.8797312289414422
Energy: 1.1008790356865703
Energy: 0.9350981725694527
Energy: 1.0845196416916547
Energy: 0.8955710672427456
Energy: 1.0845196416916547
Energy: 0.8964885213254644
Energy: 1.2939387153077566
Energy: 0.9595637301658247
Energy: 1.2939387153069943
Energy: 0.9377203159579758
Energy: 1.0991372847650898
Energy: 0.8806134895681659
Energy: 1.099137284765852
Energy: 0.9459437252054548
Energy: 1.0888409631915956
Energy: 0.9473135475025879
Energy: 1.0888409631908333
Energy: 0.8701649828925935
Energy: 1.0839340691962194
Energy: 0.9486454606939018
Energy: 1.0839340691962194
Energy: 0.9543167264351746
Energy: 1.0947321761786526
Energy: 0.939739426048517
Energy: 1.0947321761786526
Energy: 0.9625682770963254
Energy: 1.0983417242005125
Energy: 0.9001434167908161
Energy: 1.098341724201275
Energy: 0.9616613911829757
Energy: 1.090853891201564
Energy: 0.9548791523765566
Energy: 1.090853891200802
Energy: 0.9403079844567823
Energy: 1.0857684320561345
Energy: 0.9587757745400947
Energy: 1.0857684320561345
Energy: 0.9410786873724901
Energy: 1.1065123964521493
Energy: 0.9500956614085226
Energy: 1.1065123964521493

minimum gb energy = 0.7945291014691188 eV
minimum distance =  2.28503844948835 Angstroms
sigma value = 1


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

Energy: 1.063776929162739
Energy: 1.1840521845157048
Energy: 0.941733053070897
Energy: 1.1840521845174432
Energy: 1.0096227648756846
Energy: 1.1215204909218186
Energy: 1.0110507416152277
Energy: 1.121520490923557
Energy: 0.9278880613687149
Energy: 1.183022845105185
Energy: 1.0055656178515322
Energy: 1.1830228451034468
Energy: 1.0039519243075752
Energy: 1.103570808191934
Energy: 0.9446396600595688
Energy: 1.1035708081893265
Energy: 1.0035820607557409
Energy: 1.1610796599042648
Energy: 0.9934034886466244
Energy: 1.1610796599051338
Energy: 0.9890429518819998
Energy: 1.1610776665534588
Energy: 0.9864945071642933
Energy: 1.1610776665551972
Energy: 1.0093990503403714
Energy: 1.0144029480087746
Energy: 0.9447576879555741
Energy: 1.0144029480052978
Energy: 0.853882430096191
Energy: 1.1833650087633631
Energy: 0.9870360442506741
Energy: 1.1833650087642327
Energy: 1.0037967571402495
Energy: 1.0255070451260615
Energy: 1.0154831097002657
Energy: 1.0255070451269308
Energy: 1.0066069849487136
Energy: 1.1833333342791523
Energy: 0.8452281564275348
Energy: 1.1833333342817598
Energy: 1.0091053867482442
Energy: 1.1048035703608268
Energy: 1.0115312017701001
Energy: 1.1048035703616959
Energy: 0.9305037834956121
Energy: 1.172096599137176
Energy: 1.0046641996100063
Energy: 1.1720965991328303
Energy: 1.0212029040495532
Energy: 1.1615659723933494
Energy: 0.9939133013998511
Energy: 1.161565972391611
Energy: 1.0223020263110867
Energy: 1.1615522613552411
Energy: 0.9940505289364902
Energy: 1.1615522613561102
Energy: 0.9303962761013239
Energy: 1.1719407017384487
Energy: 1.0048812005322978
Energy: 1.1719407017375796
Energy: 1.0092199465919462
Energy: 1.1049501918180034
Energy: 1.0115478043086612
Energy: 1.1049501918188724
Energy: 1.0069542384191745
Energy: 1.1835916856154962
Energy: 0.8452471530401647
Energy: 1.1835916856146271
Energy: 1.0037439518356521
Energy: 1.025567378653446
Energy: 1.0156620274386687
Energy: 1.0255673786551844
Energy: 0.8536511140743454
Energy: 1.183518968564499
Energy: 0.9870010188486179
Energy: 1.1835189685618914
Energy: 1.0091827943729819
Energy: 1.1055724171181311
Energy: 0.9448331432887719
Energy: 1.1055724171198698
Energy: 0.9889196679435746
Energy: 1.161338379306746
Energy: 0.9865215722150721
Energy: 1.1613383793093535
Energy: 1.0035768973877468
Energy: 1.16105472938442
Energy: 0.9933710301664455
Energy: 1.16105472938442
Energy: 1.0029015474417386
Energy: 1.1034599802789897
Energy: 0.944599402603436
Energy: 1.1034599802781204
Energy: 0.9278264721901311
Energy: 1.1830305233758855
Energy: 1.0051669406769754
Energy: 1.1830305233741472
Energy: 1.009595865976856
Energy: 1.1210070543724708
Energy: 1.0110135465655263
Energy: 1.1210070543724708
Energy: 1.0637769291636083
Energy: 1.1840521845157048
Energy: 0.9417330530717664
Energy: 1.1840521845174432
Energy: 1.0096227648765537
Energy: 1.121520490922688
Energy: 1.0110507416152277
Energy: 1.121520490923557
Energy: 0.9278880613687149
Energy: 1.183022845105185
Energy: 1.0055656178497938
Energy: 1.1830228451034468
Energy: 1.0039519243075752
Energy: 1.1035708081910647
Energy: 0.9446396600604379
Energy: 1.1035708081901956

minimum gb energy = 0.8452281564275348 eV
minimum distance =  2.27466740837314 Angstroms
sigma value = 25


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

Energy: 1.13126255444318
Energy: 1.2584199098774123
Energy: 1.0081336473439346
Energy: 1.2584199098774123
Energy: 1.101241606186248
Energy: 1.187347995656927
Energy: 1.0890957980229636
Energy: 1.187347995656927
Energy: 1.0012109873346569
Energy: 1.2896081834669293
Energy: 1.0933000771856924
Energy: 1.2896081834669293
Energy: 1.0732678755017948
Energy: 1.2132452412920773
Energy: 1.0238394538871483
Energy: 1.213245241291067
Energy: 1.0239088224146458
Energy: 1.2571322957259228
Energy: 1.0780226694607242
Energy: 1.2571322957259228
Energy: 1.0793066926289747
Energy: 1.2901019819293418
Energy: 1.0997336189147071
Energy: 1.2901019819293418
Energy: 1.1024277298659002
Energy: 1.0983732691658694
Energy: 1.0585527340203857
Energy: 1.0983732691658694
Energy: 1.0203622771322636
Energy: 1.2623360788254212
Energy: 0.9484071859930951
Energy: 1.262336078824411
Energy: 1.0585748565080826
Energy: 1.186425213058124
Energy: 1.102506648269802
Energy: 1.186425213058124
Energy: 1.0969066273209631
Energy: 1.2907747462658223
Energy: 1.0068022529799734
Energy: 1.2907747462658223
Energy: 1.0785104131959107
Energy: 1.25810149307709
Energy: 1.0895579370406097
Energy: 1.25810149307709
Energy: 1.0301643704375194
Energy: 1.2597358748428173
Energy: 1.088818621373688
Energy: 1.2597358748428173
Energy: 1.092661573009391
Energy: 1.2098458348356889
Energy: 1.0068893192546997
Energy: 1.2098458348346783
Energy: 1.055413111091526
Energy: 1.1001709198489034
Energy: 1.1010277623618463
Energy: 1.1001709198489034
Energy: 0.9589059613796649
Energy: 1.2582820244340642
Energy: 0.9461212881772195
Energy: 1.2582820244340642
Energy: 1.090014923688927
Energy: 1.09855431461589
Energy: 1.0252493160569294
Energy: 1.0985543146169003
Energy: 0.9161437197819264
Energy: 1.289548335445304
Energy: 0.9164047815239497
Energy: 1.289548335445304
Energy: 1.0240544763929902
Energy: 1.2584745514214801
Energy: 1.0756162345761269
Energy: 1.2584745514214801
Energy: 1.072856130514502
Energy: 1.2135689035299941
Energy: 1.0240759270579913
Energy: 1.2135689035310047
Energy: 1.098372017874757
Energy: 1.2896709411460279
Energy: 1.0937430078380401
Energy: 1.2896709411470384
Energy: 1.1078320736424512
Energy: 1.1866412933054031
Energy: 1.091006090209699
Energy: 1.1866412933054031
Energy: 1.1292699417019592
Energy: 1.259966732463196
Energy: 1.0491403302801336
Energy: 1.259966732463196
Energy: 1.1002439146742808
Energy: 1.193385075443086
Energy: 1.0888220525372592
Energy: 1.1933850754420756
Energy: 0.9993265781928179
Energy: 1.2941288973853817
Energy: 1.0967651210920806
Energy: 1.2941288973853817
Energy: 1.0890662380310272
Energy: 1.113531807590874
Energy: 1.02357696667018
Energy: 1.1135318075918845

minimum gb energy = 0.9161437197819264 eV
minimum distance =  2.27310180863733 Angstroms
sigma value = 9


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

Energy: 1.2853998515442426
Energy: 1.228711242786858
Energy: 1.0642976066473548
Energy: 1.228711242786858
Energy: 1.1530293383744457
Energy: 1.3031161817722736
Energy: 1.1907624732765028
Energy: 1.3031161817722736
Energy: 1.0842362305172972
Energy: 1.2268169553540276
Energy: 1.1896472721172298
Energy: 1.2268169553540276
Energy: 1.2147119067977736
Energy: 1.3728744976678424
Energy: 1.036609609776336
Energy: 1.3728744976678424
Energy: 1.18663682571722
Energy: 1.2996443070259338
Energy: 1.1881270960928587
Energy: 1.2996443070259338
Energy: 0.9865391141057397
Energy: 1.2119990801464922
Energy: 1.128887772268282
Energy: 1.2119990801476974
Energy: 1.2219088932251845
Energy: 1.037267761291382
Energy: 1.0413404949764296
Energy: 1.0372677612901768
Energy: 1.0679766407195335
Energy: 1.2113759477539958
Energy: 1.0320189438680567
Energy: 1.2113759477527906
Energy: 1.2157171772007822
Energy: 1.3032285852874455
Energy: 1.1923805130405443
Energy: 1.30322858528624
Energy: 1.2191671284415537
Energy: 1.2132778800904978
Energy: 1.1281854068687434
Energy: 1.2132778800904978
Energy: 1.1030344437847375
Energy: 1.335571681777062
Energy: 1.1512000441760633
Energy: 1.3355716817782672
Energy: 1.2181515518375865
Energy: 1.2153679675559028
Energy: 1.037110864067866
Energy: 1.2153679675559028
Energy: 0.9874231069573678
Energy: 1.2262492844497195
Energy: 1.0340832840382699
Energy: 1.2262492844497195
Energy: 1.1082097563103042
Energy: 1.21586339028879
Energy: 1.1927790270821015
Energy: 1.2158633902875846
Energy: 0.9874040426812684
Energy: 1.2262564471985586
Energy: 1.0680473384386973
Energy: 1.2262564471985586
Energy: 1.2183820124349811
Energy: 1.2153578775339413
Energy: 1.0369782463381267
Energy: 1.215357877536352
Energy: 1.102785910250664
Energy: 1.3356124689290025
Energy: 1.1891105956773547
Energy: 1.3356124689290025
Energy: 1.2193510735619137
Energy: 1.2132516429536233
Energy: 1.1282826679046425
Energy: 1.2132516429536233
Energy: 1.215977372190746
Energy: 1.3032231138106
Energy: 1.1929234114566118
Energy: 1.3032231138093946
Energy: 1.0681300757290482
Energy: 1.2111961394998367
Energy: 1.0330805111514534
Energy: 1.2111961394998367
Energy: 1.2221156838240497
Energy: 1.0374587655523373
Energy: 1.0413247405380888
Energy: 1.0374587655523373

minimum gb energy = 0.9865391141057397 eV
minimum distance =  2.33167805757793 Angstroms
sigma value = 25


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

Energy: 1.1223243579827873
Energy: 1.4405945451684865
Energy: 1.2256207284054281
Energy: 1.4405945451684865
Energy: 1.096618777702793
Energy: 1.4542588530479543
Energy: 1.0731214729058771
Energy: 1.4542588530494447
Energy: 1.0752202562683681
Energy: 1.474521553663304
Energy: 1.072875975731163
Energy: 1.474521553663304
Energy: 1.118042380487696
Energy: 1.4414967119017543
Energy: 1.1590147938503383
Energy: 1.4414967119017543
Energy: 1.1616037900956788
Energy: 1.0938483217777364
Energy: 1.073716921979461
Energy: 1.0938483217777364
Energy: 1.0790270210879884
Energy: 1.4711927275782826
Energy: 1.07849230235367
Energy: 1.4711927275767922
Energy: 1.073584323649931
Energy: 1.2785784926571933
Energy: 1.0738783165401262
Energy: 1.2785784926571933
Energy: 1.1591916861320197
Energy: 1.4385220109147263
Energy: 1.1251950171870237
Energy: 1.4385220109147263
Energy: 1.0729349099714858
Energy: 1.2879409295389423
Energy: 1.098028674463321
Energy: 1.2879409295389423
Energy: 1.2203327850726462
Energy: 1.3123839103467874
Energy: 1.0756521807006423
Energy: 1.3123839103467874
Energy: 1.1374110149938115
Energy: 1.4406569363961617
Energy: 1.233079795437957
Energy: 1.4406569363961617
Energy: 1.0728419266834692
Energy: 1.130159628487511
Energy: 1.2247978159560369
Energy: 1.130159628487511
Energy: 1.1825175036651348
Energy: 1.4748526436388276
Energy: 1.0743032256929876
Energy: 1.4748526436388276
Energy: 1.0737178074967657
Energy: 1.4405368385073551
Energy: 1.119041687521004
Energy: 1.440536838508846
Energy: 1.0726223043647483
Energy: 1.440230098206058
Energy: 1.1614272364548786
Energy: 1.440230098206058
Energy: 1.094810363327537
Energy: 1.4752482774093596
Energy: 1.0786487720629743
Energy: 1.4752482774093596
Energy: 1.0737470861272547
Energy: 1.1752336292737968
Energy: 1.2246857002089642
Energy: 1.1752336292737968

minimum gb energy = 1.0726223043647483 eV
minimum distance =  2.32101834156874 Angstroms
sigma value = 17


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

Energy: 1.3034234418804358
Energy: 1.2991711192772075
Energy: 1.2993864946051026
Energy: 1.2991711192772075
Energy: 1.2654855730542565
Energy: 1.2688364120671052
Energy: 1.1185117101397537
Energy: 1.2688364120671052
Energy: 1.192471097653237
Energy: 1.2785108964523937
Energy: 1.1180982341277583
Energy: 1.2785108964523937
Energy: 1.121722162790936
Energy: 1.2988382268239937
Energy: 1.261964887443083
Energy: 1.2988382268239937
Energy: 1.240676095632266
Energy: 1.3674299982350508
Energy: 1.2097074667008116
Energy: 1.3674299982342064
Energy: 1.1427182406470355
Energy: 1.2926898784248437
Energy: 1.171137217852011
Energy: 1.292689878425688
Energy: 1.1248212718951383
Energy: 1.266921983509449
Energy: 1.1234175895901366
Energy: 1.266921983509449
Energy: 1.1727597070142182
Energy: 1.2929703772340329
Energy: 1.1371708708050106
Energy: 1.2929703772348768
Energy: 1.1450125705873484
Energy: 1.3418748248321433
Energy: 1.2271780120707811
Energy: 1.3418748248321433
Energy: 1.285521945086377
Energy: 1.2418855263857647
Energy: 1.1188339666841562
Energy: 1.2418855263857647
Energy: 1.12545382071684
Energy: 1.2989885143966085
Energy: 1.197255074535965
Energy: 1.2989885143966085
Energy: 1.140730902944054
Energy: 1.2675252813954372
Energy: 1.1409267761109239
Energy: 1.2675252754057849
Energy: 1.2532104308219114
Energy: 1.2988001016245752
Energy: 1.2987013389003965
Energy: 1.2988001016237307
Energy: 1.1179244470877088
Energy: 1.4561361957315506
Energy: 1.2137963247000216
Energy: 1.4561361957315506
Energy: 1.2200979810182846
Energy: 1.3491103024764133
Energy: 1.144615204333768
Energy: 1.3491103024772573
Energy: 1.1899763350607802
Energy: 1.2935368217334025
Energy: 1.172065610793546
Energy: 1.2935368217334025
Energy: 1.1227809371218775
Energy: 1.3379387562074603
Energy: 1.3272043396489401
Energy: 1.3379387562074603
Energy: 1.1965321879360105
Energy: 1.28397294510538
Energy: 1.1425973019244302
Energy: 1.2839729451045359
Energy: 1.2121678750802254
Energy: 1.3521256185462733
Energy: 1.186263568454945
Energy: 1.3521256185437405
Energy: 1.2739011308649102
Energy: 1.2934513079004524
Energy: 1.122140889354937
Energy: 1.2934513078996082
Energy: 1.146458548054786
Energy: 1.2840669826461142
Energy: 1.1921293247702998
Energy: 1.2840669826469582
Energy: 1.1225958339193711
Energy: 1.2937559066700752
Energy: 1.2865105201502272
Energy: 1.293755906669231
Energy: 1.2495218484223254
Energy: 1.2992752689657856
Energy: 1.1198779905445302
Energy: 1.2992752689657856
Energy: 1.2282490486937314
Energy: 1.3466963070000773
Energy: 1.193283663672626
Energy: 1.3466963070000773
Energy: 1.296440965862292
Energy: 1.2783659858107719
Energy: 1.2498215383097953
Energy: 1.2783659858107719
Energy: 1.2813107525560947
Energy: 1.2996969124150552
Energy: 1.121206874071675
Energy: 1.2996969124150552
Energy: 1.211907378389527
Energy: 1.2929717721230252
Energy: 1.3333382446723459
Energy: 1.2929717721213365
Energy: 1.170842370233374
Energy: 1.3104067510069892
Energy: 1.1935512626048022
Energy: 1.3104067510061452
Energy: 1.3280164149178915
Energy: 1.4421509205373304
Energy: 1.1244050638961094
Energy: 1.4421509205381744
Energy: 1.1367796291714312
Energy: 1.342141629344726
Energy: 1.1973208656592758
Energy: 1.3421416293438817

minimum gb energy = 1.1179244470877088 eV
minimum distance =  2.26470543992639 Angstroms
sigma value = 53


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

Energy: 1.1175641495494462
Energy: 1.115352151387413
Energy: 1.287768674432016
Energy: 1.115352151387413
Energy: 1.2641092358804296
Energy: 1.22891637762769
Energy: 1.1081543582237245
Energy: 1.2289163776257463
Energy: 1.1184888542282316
Energy: 1.1154889142307025
Energy: 1.136602470374649
Energy: 1.1154889142287587
Energy: 1.1184146780770172
Energy: 1.1155934139691916
Energy: 1.1367373870600688
Energy: 1.1155934139691916
Energy: 1.264094700775016
Energy: 1.2288672080620524
Energy: 1.1075139074299418
Energy: 1.2288672080601086
Energy: 1.1175641495494462
Energy: 1.115352151387413
Energy: 1.3241829455605632
Energy: 1.115352151387413
Energy: 1.2641092358804296
Energy: 1.2289163776257463
Energy: 1.1368838516640956
Energy: 1.2289163776257463
Energy: 1.1184888542282316
Energy: 1.1154889142307025
Energy: 1.268994209590258
Energy: 1.1154889142287587
Energy: 1.1184146780770172
Energy: 1.115593413967248
Energy: 1.193537321221215
Energy: 1.1155934139691916
Energy: 1.264094700775016
Energy: 1.2288672080620524
Energy: 1.1558583208286544
Energy: 1.2288672080620524
Energy: 1.1175641495494462
Energy: 1.115352151387413
Energy: 1.2731922606832933
Energy: 1.115352151387413
Energy: 1.2641092358804296
Energy: 1.22891637762769
Energy: 1.1938760933858674
Energy: 1.2289163776257463
Energy: 1.1184888542282316
Energy: 1.1154889142307025
Energy: 1.2689942095960889
Energy: 1.1154889142287587

minimum gb energy = 1.1075139074299418 eV
minimum distance =  2.31025228004542 Angstroms
sigma value = 9


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

Energy: 1.2310759059453704
Energy: 1.2608129433020185
Energy: 1.3788168730332249
Energy: 1.2608129433041764
Energy: 1.3432059793630162
Energy: 1.2452046530325032
Energy: 1.1971453655694915
Energy: 1.2452046530325032
Energy: 1.1475812924387117
Energy: 1.2116867988305349
Energy: 1.1639207762569435
Energy: 1.2116867988305349
Energy: 1.2050718216464824
Energy: 1.5307673630104037
Energy: 1.1578737154299665
Energy: 1.5307673630096843
Energy: 1.2498448842104204
Energy: 1.2745481608064622
Energy: 1.184739068103742
Energy: 1.274548160805743
Energy: 1.2139485962706225
Energy: 1.21128636699246
Energy: 1.2000595555984181
Energy: 1.2112863669917406
Energy: 1.377534194889832
Energy: 1.2668738834709148
Energy: 1.210333512438334
Energy: 1.2668738834709148
Energy: 1.1630578796881195
Energy: 1.5351101849179551
Energy: 1.267636136786276
Energy: 1.5351101849179551
Energy: 1.1500051199704093
Energy: 1.5455075976911015
Energy: 1.2238995771632715
Energy: 1.5455075976911015
Energy: 1.1484390132453015
Energy: 1.2401304193925762
Energy: 1.1983322580642242
Energy: 1.2401304193932956
Energy: 1.1651151291599715
Energy: 1.222367824811332
Energy: 1.3144539055768263
Energy: 1.2223678248077354
Energy: 1.3337165908283752
Energy: 1.3407240413392552
Energy: 1.1526566086465084
Energy: 1.3407240413428518
Energy: 1.1495213405467295
Energy: 1.2405815159758704
Energy: 1.295837778909255
Energy: 1.2405815159744316
Energy: 1.2109153805815773
Energy: 1.5382011780946554
Energy: 1.2360909448742827
Energy: 1.5382011780953748
Energy: 1.2109341763269996
Energy: 1.3777123280403007
Energy: 1.2299332310393958
Energy: 1.37771232804102
Energy: 1.1533794866480649
Energy: 1.5449402712198246
Energy: 1.195222891513029
Energy: 1.544940271220544
Energy: 1.2064839826609695
Energy: 1.3778314165091112
Energy: 1.1641505147657991
Energy: 1.3778314165083918
Energy: 1.1683028363278063
Energy: 1.2676268868208362
Energy: 1.3137037483632856
Energy: 1.2676268868208362
Energy: 1.317636398071901
Energy: 1.2400289620119005
Energy: 1.216017054615161
Energy: 1.2400289620090232
Energy: 1.1920540072364714
Energy: 1.2585420254532418
Energy: 1.2282431632518576
Energy: 1.2585420254532418
Energy: 1.2118074218601615
Energy: 1.5293440273742003
Energy: 1.2074405103294974
Energy: 1.5293440273734809
Energy: 1.228093932333491
Energy: 1.2833324219229623
Energy: 1.1479740534718155
Energy: 1.2833324219236815
Energy: 1.218864856652771
Energy: 1.403570609021102
Energy: 1.1502018866188928
Energy: 1.4035706090218212
Energy: 1.3730704528140025
Energy: 1.205165977304623
Energy: 1.162489449506858
Energy: 1.2051659773017456
Energy: 1.1975241799325027
Energy: 1.34034758254345
Energy: 1.417524465123311
Energy: 1.3403475825441695
Energy: 1.1690604156881572
Energy: 1.2118004034767902
Energy: 1.1479029366867533
Energy: 1.2118004034767902
Energy: 1.2113713723725053
Energy: 1.379880210602526
Energy: 1.2046047724055855
Energy: 1.379880210603965
Energy: 1.2528182723435524
Energy: 1.5307179019831434
Energy: 1.2051794530418158
Energy: 1.5307179019831434
Energy: 1.2027487568148743
Energy: 1.211191305942184
Energy: 1.1464866727626963
Energy: 1.2111913059414645
Energy: 1.1969347649430073
Energy: 1.34335394932726
Energy: 1.4204110960222693
Energy: 1.3433539493236635
Energy: 1.3791896179207392
Energy: 1.206484742158579
Energy: 1.161851534966281
Energy: 1.2064847421564209
Energy: 1.197607250210673
Energy: 1.269856562484943
Energy: 1.148105142709985
Energy: 1.2698565624856626
Energy: 1.197492517651462
Energy: 1.2837024345101995
Energy: 1.1475092068621124
Energy: 1.2837024345101995
Energy: 1.2032861533948205
Energy: 1.5308013093207702
Energy: 1.2046354061092586
Energy: 1.5308013093214898
Energy: 1.184548529404179
Energy: 1.414321969822606
Energy: 1.3773828583225065
Energy: 1.4143219698218865

minimum gb energy = 1.1464866727626963 eV
minimum distance =  2.27390829032545 Angstroms
sigma value = 73


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

Energy: 1.2653633876250256
Energy: 1.265504853059237
Energy: 1.2909433095922669
Energy: 1.265504853059237
Energy: 1.3038396881264458
Energy: 1.337618610507641
Energy: 1.2111079345255917
Energy: 1.337618610507641
Energy: 1.165890848791584
Energy: 1.2086469976304566
Energy: 1.1853652642968262
Energy: 1.2086469976304566
Energy: 1.1265038451909397
Energy: 1.4302335672550461
Energy: 1.1901917956278254
Energy: 1.4302335672550461
Energy: 1.1732333183669215
Energy: 1.3104196560309886
Energy: 1.1706380167369657
Energy: 1.3104196560309886
Energy: 1.1975525194499623
Energy: 1.2549061349939243
Energy: 1.2188399703214947
Energy: 1.2549061349939243
Energy: 1.3981319606663312
Energy: 1.3528691163277418
Energy: 1.1589862291334365
Energy: 1.352869116328883
Energy: 1.1550159276891383
Energy: 1.2311916581248634
Energy: 1.3700793822051849
Energy: 1.2311916581248634
Energy: 1.289979253098666
Energy: 1.2323048126731115
Energy: 1.2298084333097317
Energy: 1.2323048126731115
Energy: 1.162126800995732
Energy: 1.2535350327011283
Energy: 1.1617933950789496
Energy: 1.2535350327011283
Energy: 1.1520559964471166
Energy: 1.2321670400554645
Energy: 1.258099698178747
Energy: 1.2321670400554645
Energy: 1.2700418904184099
Energy: 1.4282032776303117
Energy: 1.1259005576611363
Energy: 1.4282032776303117
Energy: 1.1902470969260603
Energy: 1.3008841142837846
Energy: 1.367278813103018
Energy: 1.3008841142837846
Energy: 1.2815437021388163
Energy: 1.4083784180731793
Energy: 1.1965139264727882
Energy: 1.4083784180731793
Energy: 1.1778307114257447
Energy: 1.4109653547630483
Energy: 1.3739138920529321
Energy: 1.4109653547630483
Energy: 1.257556617677795
Energy: 1.2313517026477916
Energy: 1.1555432527826763
Energy: 1.2313517026477916
Energy: 1.2704614631127908
Energy: 1.2673432235135613
Energy: 1.1660571640201087
Energy: 1.2673432235135613
Energy: 1.2175016613246237
Energy: 1.4209583072453789
Energy: 1.1618201099978394
Energy: 1.4209583072453789
Energy: 1.1223944730507243
Energy: 1.231377891919392
Energy: 1.1545425752813805
Energy: 1.231377891919392
Energy: 1.2110147662485233
Energy: 1.2882132820608407
Energy: 1.4436619113329374
Energy: 1.2882132820768188
Energy: 1.3058198811757769
Energy: 1.2427364362495363
Energy: 1.1966115097993915
Energy: 1.2427364362495363
Energy: 1.2068918309700993
Energy: 1.3093492100025208
Energy: 1.2848370394157698
Energy: 1.3093492100025208

minimum gb energy = 1.1223944730507243 eV
minimum distance =  2.28895301722006 Angstroms
sigma value = 7


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

Energy: 1.2664069042641006
Energy: 1.2623688745775823
Energy: 1.3033989773710828
Energy: 1.2623688745767752
Energy: 1.3520075690774314
Energy: 1.2048585664158675
Energy: 1.2043756645183934
Energy: 1.2048585664134464
Energy: 1.1778802950397225
Energy: 1.4679560909631442
Energy: 1.1595149415668482
Energy: 1.467956090962337
Energy: 1.1427084047717349
Energy: 1.3369494515930889
Energy: 1.2050120751031546
Energy: 1.336949451593896
Energy: 1.183193480323336
Energy: 1.2890055876583348
Energy: 1.1614348335877258
Energy: 1.289005587655914
Energy: 1.1811224030964331
Energy: 1.263590266147551
Energy: 1.273883358199506
Energy: 1.263590266147551
Energy: 1.386660341011793
Energy: 1.4364615662485407
Energy: 1.161568730819984
Energy: 1.4364615662493478
Energy: 1.1807424377848033
Energy: 1.2632392834495123
Energy: 1.4097164796989676
Energy: 1.2632392834454773
Energy: 1.289413387371904
Energy: 1.3164802669458124
Energy: 1.2033395347620621
Energy: 1.3164802669466196
Energy: 1.1796866611239247
Energy: 1.2965448865816431
Energy: 1.2704515280948165
Energy: 1.29654488658245
Energy: 1.1481067218268373
Energy: 1.4672296056901497
Energy: 1.1617091577332723
Energy: 1.4672296056893428
Energy: 1.2328102080541572
Energy: 1.2892657628425161
Energy: 1.158596008043106
Energy: 1.2892657628425161
Energy: 1.2313029869688394
Energy: 1.2639894540551617
Energy: 1.1620251081020951
Energy: 1.2639894540559684
Energy: 1.1678023431254032
Energy: 1.2474066136748254
Energy: 1.1576636622553493
Energy: 1.2474066136724042
Energy: 1.1809109777206759
Energy: 1.373765740484707
Energy: 1.3903679463484577
Energy: 1.373765740484707
Energy: 1.3374074711764825
Energy: 1.2471409104616211
Energy: 1.1995254075961383
Energy: 1.247140910464849
Energy: 1.1818524655561937
Energy: 1.2895651128459
Energy: 1.32358437512838
Energy: 1.2895651128459
Energy: 1.1816813398073482
Energy: 1.249527555941971
Energy: 1.1580873710401347
Energy: 1.2495275559395498
Energy: 1.1805015850082652
Energy: 1.2630386470389967
Energy: 1.1619235837856714
Energy: 1.2630386470381896
Energy: 1.1793504568172972
Energy: 1.2887247671168263
Energy: 1.1585981245015982
Energy: 1.2887247671200543
Energy: 1.1474457934673228
Energy: 1.4213929967647165
Energy: 1.2036221096830302
Energy: 1.4213929967558394
Energy: 1.1799656242323502
Energy: 1.4614899083839912
Energy: 1.349922391140137
Energy: 1.4614899083823771
Energy: 1.3367051443155473
Energy: 1.4319080990533224
Energy: 1.1732170262515407
Energy: 1.4319080990533224
Energy: 1.2694427517995952
Energy: 1.2631432844210861
Energy: 1.2651163758632407
Energy: 1.2631432844202795
Energy: 1.2131251968808898
Energy: 1.2888778706602768
Energy: 1.1825782391978266
Energy: 1.288877870661891
Energy: 1.1419500211599098
Energy: 1.465736038957546
Energy: 1.1661039066570975
Energy: 1.4657360389551248
Energy: 1.1812819013051763
Energy: 1.2964346210894349
Energy: 1.1823729229842017
Energy: 1.296434621086207
Energy: 1.1432200191252457
Energy: 1.2891899648876213
Energy: 1.206255978617466
Energy: 1.2891899648908496
Energy: 1.1770316393806763
Energy: 1.2627832132050543
Energy: 1.2293757560195386
Energy: 1.2627832132042471
Energy: 1.403332994272037
Energy: 1.226708554900467
Energy: 1.2058218406789805
Energy: 1.226708554898853
Energy: 1.1770302309632839
Energy: 1.2629693468360688
Energy: 1.3580171765412545
Energy: 1.262969346834455

minimum gb energy = 1.1419500211599098 eV
minimum distance =  2.27433387075157 Angstroms
sigma value = 29


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

Energy: 1.191775594380524
Energy: 1.1973381489087593
Energy: 1.3385395952761772
Energy: 1.1973381489092902
Energy: 1.1263160002853425
Energy: 1.2122514184913171
Energy: 1.2145207939521454
Energy: 1.2122514184915985
Energy: 1.079604166599358
Energy: 1.2807353445796397
Energy: 1.12550414728217
Energy: 1.2807353445802017
Energy: 1.2156996667987894
Energy: 1.2370098456964833
Energy: 1.2146416204642152
Energy: 1.2370098456975764
Energy: 1.190174662509866
Energy: 1.269306286809357
Energy: 1.079898845647773
Energy: 1.269306286809607
Energy: 1.0804964848222216
Energy: 1.3070307071099765
Energy: 1.0802454434513928
Energy: 1.3070307071094143
Energy: 1.0799586836120127
Energy: 1.269110564787623
Energy: 1.190212896392357
Energy: 1.269110564787623
Energy: 1.2140100363219457
Energy: 1.2376864840632518
Energy: 1.2126887082095161
Energy: 1.2376864840632518
Energy: 1.1242913563183072
Energy: 1.2810367875779856
Energy: 1.0795979340951931
Energy: 1.2810367875782669

minimum gb energy = 1.0795979340951931 eV
minimum distance =  2.30324147907524 Angstroms
sigma value = 5


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

Energy: 1.171664855520007
Energy: 1.1651372673069924
Energy: 1.3110964084315908
Energy: 1.165137267308517
Energy: 1.396546580620876
Energy: 1.1265645509090016
Energy: 1.0965053889898473
Energy: 1.1265645509105264
Energy: 1.0936624698285193
Energy: 1.15341606601832
Energy: 1.281506023923213
Energy: 1.1534160660190822
Energy: 1.088827714800376
Energy: 1.2017094051458974
Energy: 1.1460625898238164
Energy: 1.20170940514666
Energy: 1.1100438072916299
Energy: 1.2143886183679642
Energy: 1.3549044712442386
Energy: 1.214388618367202
Energy: 1.1157176896808578
Energy: 1.1732251348541558
Energy: 1.121776310907111
Energy: 1.1732251348556804
Energy: 1.1041738041661406
Energy: 1.2201404312578292
Energy: 1.1058648734520482
Energy: 1.2201404312600468
Energy: 1.1073431869228314
Energy: 1.1737043808061494
Energy: 1.0907222006858601
Energy: 1.1737043808069116
Energy: 1.1340415146197569
Energy: 1.168621591909242
Energy: 1.0684183160955887
Energy: 1.1686215919061926
Energy: 1.1339638551851758
Energy: 1.210809028428999
Energy: 1.0864834576446103
Energy: 1.210809028428999
Energy: 1.0822814394212268
Energy: 1.202778630710931
Energy: 1.0976865452652993
Energy: 1.2027786307101687
Energy: 1.086678402295302
Energy: 1.148651208826878
Energy: 1.2497041397680244
Energy: 1.1486512088230665
Energy: 1.1220509824816218
Energy: 1.1716716667980442
Energy: 1.1759659768258703
Energy: 1.1716716667980442
Energy: 1.1126597407293422
Energy: 1.172093842068496
Energy: 1.3764799229370206
Energy: 1.172093842065447
Energy: 1.374468385796675
Energy: 1.1153487112592853
Energy: 1.0977519060771357
Energy: 1.1153487112592853
Energy: 1.14218681073766
Energy: 1.1446571300055604
Energy: 1.2559135028229431
Energy: 1.1446571300055604
Energy: 1.2975010650358796
Energy: 1.1210098195559979
Energy: 1.0975086261050842
Energy: 1.1210098195559979
Energy: 1.1227036619456299
Energy: 1.1720609927059302
Energy: 1.1634043984694444
Energy: 1.1720609927036432
Energy: 1.1165153265099763
Energy: 1.2237444067825047
Energy: 1.1152226704982828
Energy: 1.223744406784792
Energy: 1.084865621037763
Energy: 1.2327440109510313
Energy: 1.1513472972155854
Energy: 1.2327440109517938
Energy: 1.0723009008609388
Energy: 1.3086527290227907
Energy: 1.145598504181706
Energy: 1.308652729021266
Energy: 1.1110556963561322
Energy: 1.2085276603150743
Energy: 1.1347815152644196
Energy: 1.2085276603150743
Energy: 1.1080890792915754
Energy: 1.1727296798147275
Energy: 1.082014087490963
Energy: 1.17272967981549
Energy: 1.2500531874034546
Energy: 1.2023804388821535
Energy: 1.085072875564121
Energy: 1.2023804388829158
Energy: 1.2638975894822857
Energy: 1.2997986169463542
Energy: 1.0938969346851561
Energy: 1.2997986169471165
Energy: 1.1494241957837037
Energy: 1.1723394915129448
Energy: 1.1119556900979948
Energy: 1.1723394915129448
Energy: 1.1072085083640435
Energy: 1.1012144211618793
Energy: 1.2059708755389484
Energy: 1.1012144211595922
Energy: 1.0900807738843123
Energy: 1.2583397979209958
Energy: 1.141726663720091
Energy: 1.2583397979247382
Energy: 1.0881666535247883
Energy: 1.1244595582704064
Energy: 1.428112947442463
Energy: 1.1244595582726933
Energy: 1.308548662062523
Energy: 1.1717767621525343
Energy: 1.1222355138168665
Energy: 1.17177676215101
Energy: 1.1197521010188065
Energy: 1.15395878324119
Energy: 1.19371485164206
Energy: 1.1539587832396654
Energy: 1.2961228572529102
Energy: 1.1570449326287218
Energy: 1.0867705365724962
Energy: 1.1570449326249101
Energy: 1.1441907142856689
Energy: 1.2031289258721638
Energy: 1.0768426889688225
Energy: 1.2031289258706388

minimum gb energy = 1.0684183160955887 eV
minimum distance =  2.29562427419769 Angstroms
sigma value = 1


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

Energy: 1.1137560140693232
Energy: 1.110221210305932
Energy: 1.413547752496997
Energy: 1.1102212103069862
Energy: 1.334373599208809
Energy: 1.0559801907951867
Energy: 1.0624225655155175
Energy: 1.0559801907951867
Energy: 1.018986033694316
Energy: 1.1108509091582215
Energy: 1.2245302146158046
Energy: 1.1108509091582215
Energy: 1.0703379416724434
Energy: 1.1632881220921898
Energy: 1.0607870100459733
Energy: 1.1632881220911357
Energy: 1.0198841815649153
Energy: 1.2061218908377274
Energy: 1.2906252476175442
Energy: 1.2061218908377274
Energy: 1.022494573123809
Energy: 1.157976197098698
Energy: 1.0609821636394496
Energy: 1.1579761970997517
Energy: 1.0207481545796946
Energy: 1.2103385230049992
Energy: 1.0803682346284487
Energy: 1.2103385230049992
Energy: 1.0204877041068823
Energy: 1.1140344473481738
Energy: 1.0809502677406946
Energy: 1.1140344473481738
Energy: 1.1167518083702725
Energy: 1.1083562773195414
Energy: 1.0803049773963762
Energy: 1.1083562773184876
Energy: 1.1072849683937782
Energy: 1.108465447530287
Energy: 1.0803126952720223
Energy: 1.108465447530287
Energy: 1.0205423142561605
Energy: 1.114062462926299
Energy: 1.0810072920990648
Energy: 1.1140624629252451
Energy: 1.0200755767621559
Energy: 1.2101131444750899
Energy: 1.080377463577654
Energy: 1.2101131444771502
Energy: 1.0222036632110243
Energy: 1.1580780532638015
Energy: 1.06121351827346
Energy: 1.1580780532638015
Energy: 1.0197540101000608
Energy: 1.205364861329427
Energy: 1.2955791497647542
Energy: 1.205364861330481
Energy: 1.0692311464436999
Energy: 1.1631036008172038
Energy: 1.0607824949372031
Energy: 1.1631036008182578
Energy: 1.0187792852539643
Energy: 1.1107841157014073
Energy: 1.0757343506799528
Energy: 1.1107841157034672
Energy: 1.334184833433303
Energy: 1.0559468986061629
Energy: 1.062839544934238
Energy: 1.0559468986030007
Energy: 1.1137560140693232
Energy: 1.110221210305932
Energy: 1.0532306144667907
Energy: 1.1102212103069862
Energy: 1.334373599208809
Energy: 1.0559801907951867
Energy: 1.0624225655155175
Energy: 1.0559801907951867
Energy: 1.018986033694316
Energy: 1.1108509091582215
Energy: 1.2245302146158046
Energy: 1.1108509091582215
Energy: 1.0703379416724434
Energy: 1.1632881220921898
Energy: 1.0607870100459733
Energy: 1.1632881220911357
Energy: 1.0198841815649153
Energy: 1.2061218908387816
Energy: 1.2906252476175442
Energy: 1.2061218908377274
Energy: 1.022494573123809
Energy: 1.1579761970997517
Energy: 1.0609821636383956
Energy: 1.1579761970997517
Energy: 1.0207481545807484
Energy: 1.2103385230049992
Energy: 1.0803682346284487
Energy: 1.2103385230060535

minimum gb energy = 1.0187792852539643 eV
minimum distance =  2.30235282720919 Angstroms
sigma value = 17


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

Energy: 1.0886150490352973
Energy: 1.0856820475077738
Energy: 1.2638839128099195
Energy: 1.0856820475071223
Energy: 1.3152014309362077
Energy: 1.0687739667442442
Energy: 1.036015396541331
Energy: 1.0687739667455471
Energy: 1.0362712980889044
Energy: 1.0678727726503257
Energy: 1.3181768297970815
Energy: 1.0678727726516286
Energy: 1.058606276524779
Energy: 1.2505584715501548
Energy: 1.0325602379570473
Energy: 1.2505584715508062
Energy: 1.0177457907176395
Energy: 1.1485133053263534
Energy: 1.3224692509230132
Energy: 1.1485133053276562
Energy: 1.0066819720071591
Energy: 1.2686120770622369
Energy: 1.0539654280568393
Energy: 1.2686120770622369
Energy: 1.0361166960196937
Energy: 1.1274358956314272
Energy: 1.0921086800846558
Energy: 1.127435895630776
Energy: 1.017960949107946
Energy: 1.2783390790707156
Energy: 1.016640601959203
Energy: 1.2783390790700642
Energy: 1.080297212095371
Energy: 1.2794142582183863
Energy: 1.0642117104722393
Energy: 1.2794142582164316
Energy: 1.0843022070764547
Energy: 1.1109593072386326
Energy: 1.0360444016875887
Energy: 1.1109593072386326
Energy: 1.0367814683280363
Energy: 1.2494140456347527
Energy: 1.0177801418949122
Energy: 1.2494140456360556
Energy: 1.0390641921751145
Energy: 1.118232153782297
Energy: 1.019539981665533
Energy: 1.118232153782297
Energy: 1.0054538308624308
Energy: 1.2688822612298263
Energy: 1.0345423411984012
Energy: 1.2688822612311292
Energy: 1.0178695259226946
Energy: 1.1479941888970173
Energy: 1.113857179873985
Energy: 1.1479941888963658
Energy: 1.0207734332765583
Energy: 1.2587435987548887
Energy: 1.0940700285681295
Energy: 1.2587435987548887
Energy: 1.036297437228715
Energy: 1.0681229490350113
Energy: 1.3125325061539386
Energy: 1.0681229490337083
Energy: 1.0466167895725675
Energy: 1.2610439940205653
Energy: 1.0338818607769011
Energy: 1.2610439940199136
Energy: 1.0316342236110052
Energy: 1.0861034411112678
Energy: 1.0328799701607243
Energy: 1.0861034411125705
Energy: 1.200543003463241
Energy: 1.1202193203171795
Energy: 1.0368812862172563
Energy: 1.1202193203171795
Energy: 1.0540491261650582
Energy: 1.0677181225604129
Energy: 1.1967547895952546
Energy: 1.0677181225604129
Energy: 1.4557222863687709
Energy: 1.0583062359014004
Energy: 1.0344370241092122
Energy: 1.0583062359020519
Energy: 1.034896810486725
Energy: 1.0869574460513054
Energy: 1.322976816553394
Energy: 1.0869574460513054
Energy: 1.1885563778939299
Energy: 1.0503181475596122
Energy: 1.053605912295881
Energy: 1.0503181475596122
Energy: 1.0370481616889204
Energy: 1.1283631484428454
Energy: 1.2186515485345
Energy: 1.128363148442194
Energy: 1.0464449993491103
Energy: 1.0867808297262505
Energy: 1.0318568915344717
Energy: 1.0867808297269022
Energy: 1.035470280369818
Energy: 1.1493358464877705
Energy: 1.0508635660709065
Energy: 1.1493358464877705
Energy: 1.1794501782478848
Energy: 1.1024825550293365
Energy: 1.0370875430369253
Energy: 1.1024825550293365
Energy: 1.097065487353866
Energy: 1.2597606108390018
Energy: 1.019170368979894
Energy: 1.259760610839653
Energy: 1.1103513303080434
Energy: 1.147210354340841
Energy: 1.0188854664687357
Energy: 1.147210354340841
Energy: 1.0357513755647005
Energy: 1.267057019603779
Energy: 1.0610439251899129
Energy: 1.2670570196031272
Energy: 1.0190337947157093
Energy: 1.1472090772435835
Energy: 1.037657009090877
Energy: 1.1472090772429322
Energy: 1.0190506719574794
Energy: 1.250417688505236
Energy: 1.034733956829408
Energy: 1.2504176885065392
Energy: 1.0371135196833983
Energy: 1.110647667690472
Energy: 1.2136817159505962
Energy: 1.110647667689169
Energy: 1.0630950395494143
Energy: 1.282667814417309
Energy: 1.0568102571043805
Energy: 1.282667814417309
Energy: 1.017189599857868
Energy: 1.0867182780448488
Energy: 1.0509549944786514
Energy: 1.0867182780455003
Energy: 1.0882865600195788
Energy: 1.1283139026794369
Energy: 1.0347329734617474
Energy: 1.1283139026794369
Energy: 1.053465317050236
Energy: 1.2699775471878294
Energy: 1.0060101214375932
Energy: 1.2699775471891321
Energy: 1.315600462401304
Energy: 1.1493358418298134
Energy: 1.0346773296935252
Energy: 1.1493358418272075

minimum gb energy = 1.0054538308624308 eV
minimum distance =  2.29937335067704 Angstroms
sigma value = 89


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

Energy: 0.9478095015853182
Energy: 0.9455865775921835
Energy: 1.1632876797383513
Energy: 0.9455865775921835
Energy: 0.9501702995710587
Energy: 0.9869283359360864
Energy: 0.9536856212533842
Energy: 0.9869283359360864
Energy: 0.9535598917027002
Energy: 1.1171581188329647
Energy: 1.372930030362777
Energy: 1.1171581188329647
Energy: 0.9230928790767601
Energy: 0.9868997916089933
Energy: 0.9536395086849857
Energy: 0.9868997916089933
Energy: 0.9526483458510124
Energy: 1.0307085556553774
Energy: 1.2809379672133776
Energy: 1.0307085556553774
Energy: 0.9495257428572199
Energy: 0.9470208609169982
Energy: 0.9507180840656878
Energy: 0.9470208609169982
Energy: 0.9530369014125615
Energy: 1.1173894889839289
Energy: 0.9540978951873623
Energy: 1.1173894889839289
Energy: 0.9083786817086018
Energy: 1.1156703810637605
Energy: 0.9532048601015912
Energy: 1.1156703810637605
Energy: 0.9499688742186002
Energy: 1.0313138875398775
Energy: 0.9237662685451851
Energy: 1.0313138875398775
Energy: 0.9867260946498182
Energy: 1.0248803056732265
Energy: 0.9480263744517238
Energy: 1.024880305674931
Energy: 0.9429290857065512
Energy: 0.9877991555170186
Energy: 0.9535676226405748
Energy: 0.9877991555170186
Energy: 0.9429583251629344
Energy: 1.1206147981932566
Energy: 0.9530257518136142
Energy: 1.1206147981932566
Energy: 0.9486958382891846
Energy: 0.9483876046107834
Energy: 0.9069481897208383
Energy: 0.9483876046107834
Energy: 0.9498969739777335
Energy: 1.02928997061185
Energy: 0.9498806313367694
Energy: 1.02928997061185
Energy: 0.9147505133428011
Energy: 0.9484706114301582
Energy: 0.94909560904103
Energy: 0.9484706114301582

minimum gb energy = 0.9069481897208383 eV
minimum distance =  2.31736048514432 Angstroms
sigma value = 13


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

Energy: 0.9221283029318599
Energy: 0.8795255462185474
Energy: 1.3862364107998895
Energy: 0.8795255462206907
Energy: 1.3742629246750133
Energy: 0.9074115100885611
Energy: 0.8632910047351577
Energy: 0.9074115100885611
Energy: 0.882033617116999
Energy: 0.8803185570495945
Energy: 1.0028707003632313
Energy: 0.8803185570510236
Energy: 0.8880282684325995
Energy: 0.9073181071342471
Energy: 0.8598676775141553
Energy: 0.9073181071349616
Energy: 0.8897852059929979
Energy: 0.9430397106185191
Energy: 0.8897779785602508
Energy: 0.9430397106192334
Energy: 0.8687761640232411
Energy: 0.907932439975675
Energy: 0.8945663751479582
Energy: 0.9079324399735315
Energy: 0.8898815526248387
Energy: 0.9492571497819678
Energy: 1.2801865682505822
Energy: 0.9492571497798246
Energy: 0.8474134249711364
Energy: 0.9080687815082091
Energy: 0.89453412625258
Energy: 0.9080687815096381
Energy: 0.8899115106154066
Energy: 0.948446631701993
Energy: 1.1279165987672164
Energy: 0.9484466317048508
Energy: 1.0641210051130945
Energy: 0.9691440905956974
Energy: 0.8600372141957131
Energy: 0.969144090593554
Energy: 0.8899230083218506
Energy: 0.9699183292074418
Energy: 0.8671953580291849
Energy: 0.9699183292010117
Energy: 1.207018503867787
Energy: 0.9690892298042493
Energy: 0.8592049464456022
Energy: 0.969089229803535
Energy: 0.9298226879397073
Energy: 0.8997909917482786
Energy: 0.8668306927108573
Energy: 0.899790991747564
Energy: 1.2312948130402688
Energy: 0.9696051779822918
Energy: 0.8592903967479885
Energy: 0.9696051779822918
Energy: 0.8900748538470112
Energy: 0.8803028551864919
Energy: 0.8590955051146417
Energy: 0.8803028551886355
Energy: 0.8873644473041707
Energy: 0.970177985678844
Energy: 0.8614475432960638
Energy: 0.9701779856745572
Energy: 0.8811313632338803
Energy: 0.8784646694145292
Energy: 0.8635273738073993
Energy: 0.8784646694131003
Energy: 0.8780507778456468
Energy: 0.9462684140384734
Energy: 0.901970286963054
Energy: 0.946268414037759
Energy: 0.8812042907980138
Energy: 0.9465525674111164
Energy: 0.9021723639856745
Energy: 0.9465525674125453
Energy: 0.8812290574741777
Energy: 0.94658608710864
Energy: 0.9021023238086859
Energy: 0.94658608710864
Energy: 0.8783702763219906
Energy: 0.9461892640344086
Energy: 0.9022271291573165
Energy: 0.9461892640329796
Energy: 0.8811417993093134
Energy: 0.8783998476637302
Energy: 0.863949549356442
Energy: 0.8783998476658736
Energy: 0.8871703441621818
Energy: 0.9699447198934978
Energy: 0.8614286704214863
Energy: 0.9699447198927834
Energy: 0.8900522635082332
Energy: 0.8802149576871126
Energy: 0.8547114744454726
Energy: 0.8802149576871126
Energy: 1.2311193073175652
Energy: 0.9695011858097141
Energy: 0.8591943880534211
Energy: 0.9695011858097141
Energy: 0.9288386901274719
Energy: 0.8997991318592056
Energy: 0.8672999150152735
Energy: 0.8997991318613489
Energy: 1.2066298491403125
Energy: 0.9691243211562848
Energy: 0.8593285652905805
Energy: 0.9691243211555703
Energy: 0.8899275542499796
Energy: 0.9701367447518218
Energy: 0.867295358258486
Energy: 0.9701367447525363
Energy: 1.0642035696558823
Energy: 0.9692068239462329
Energy: 0.8600138456031797
Energy: 0.9692068239476617
Energy: 0.8899488076661317
Energy: 0.9488002620407837
Energy: 1.186973809112129
Energy: 0.9488002620386404
Energy: 0.852692757003302
Energy: 0.9078252419898788
Energy: 0.8946155601743335
Energy: 0.9078252419891644
Energy: 0.8901208813514242
Energy: 0.9495547715316163
Energy: 1.3451607028401327
Energy: 0.9495547715344742
Energy: 0.8642729507011256
Energy: 0.9076755614106438
Energy: 0.8944306771684525
Energy: 0.9076755614106438
Energy: 0.889760474599216
Energy: 0.9430871169131437
Energy: 0.8776164593088462
Energy: 0.9430871169074281
Energy: 0.8883993073660587
Energy: 0.9068557418491379
Energy: 0.8598532046042532
Energy: 0.9068557418469946

minimum gb energy = 0.8474134249711364 eV
minimum distance =  2.32858627037226 Angstroms
sigma value = 37


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

Energy: 0.8393822358527133
Energy: 0.8372618452604258
Energy: 0.7458119785717631
Energy: 0.8372618452604258
Energy: 1.3627303929292391
Energy: 0.8363766687365577
Energy: 0.773768526430972
Energy: 0.8363766687353285
Energy: 0.7694833764522548
Energy: 0.9372151002303838
Energy: 1.0845930792542584
Energy: 0.9372151002316129
Energy: 0.7734075774744992
Energy: 0.8364042237331736
Energy: 0.7741958632498198
Energy: 0.8364042237319443
Energy: 0.7734390236233586
Energy: 0.8363124743329814
Energy: 0.7744189960019369
Energy: 0.8363124743317522
Energy: 0.7470726899336924
Energy: 0.8363644692759211
Energy: 0.7711340637596071
Energy: 0.8363644692759211
Energy: 0.7734190684514302
Energy: 0.8805186146485596
Energy: 1.0821245131955164
Energy: 0.8805186146485596
Energy: 0.7710129166564383
Energy: 0.8378548835955307
Energy: 0.8414661034956097
Energy: 0.8378548835955307
Energy: 0.7729007889218493
Energy: 0.836231098087246
Energy: 1.2229919119811823
Energy: 0.8362310980884753
Energy: 1.1217219979252115
Energy: 0.9263424894093525
Energy: 0.7713277466122888
Energy: 0.9263424894093525
Energy: 0.774157965176357
Energy: 0.8802665200066434
Energy: 0.7720626995208276
Energy: 0.8802665200066434
Energy: 1.1421175342446908
Energy: 0.837040835137555
Energy: 0.7738726975261526
Energy: 0.8370408351363259
Energy: 0.7735646140384975
Energy: 0.8360081365054581
Energy: 0.7545304366418426
Energy: 0.8360081365042289
Energy: 1.0818993494375801
Energy: 0.8801740695966952
Energy: 0.7721966793422435
Energy: 0.8801740695966952
Energy: 0.8424909642053992
Energy: 0.8813279286298157
Energy: 0.7721947467051593
Energy: 0.8813279286298157
Energy: 0.834872551132287
Energy: 0.836604109475315
Energy: 0.7741770369386561
Energy: 0.836604109475315
Energy: 0.7732689086430188
Energy: 0.9288263013232977
Energy: 0.7363708635147017
Energy: 0.9288263013232977
Energy: 0.7682894838711706
Energy: 0.8810850116905727
Energy: 0.7723339582725292
Energy: 0.8810850116905727
Energy: 0.7735835566192175
Energy: 0.8384681023409891
Energy: 0.7758619492868047
Energy: 0.8384681023409891
Energy: 0.769270256224155
Energy: 0.836221290456664
Energy: 0.7675378685117968
Energy: 0.836221290456664

minimum gb energy = 0.7363708635147017 eV
minimum distance =  2.33533225948439 Angstroms
sigma value = 25


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

Energy: 0.7550527346010351
Energy: 0.7015857951180925
Energy: 1.2139702838458633
Energy: 0.7015857951190525
Energy: 1.3592647687000838
Energy: 0.7261059165695954
Energy: 0.7056510958901582
Energy: 0.7261059165695954
Energy: 0.701321107214241
Energy: 0.7002794149261673
Energy: 0.6511001707501815
Energy: 0.7002794149261673
Energy: 0.9127016656612654
Energy: 0.726437564057816
Energy: 0.7058162145020134
Energy: 0.726437564057816
Energy: 0.7048194438908781
Energy: 0.726435708785533
Energy: 0.667609897180416
Energy: 0.726435708785533
Energy: 0.663685949177827
Energy: 0.7259926042473533
Energy: 0.7056153783319724
Energy: 0.7259926042473533
Energy: 0.7057648990308235
Energy: 0.7004508966154025
Energy: 0.9127959751869018
Energy: 0.7004508966154025
Energy: 0.6503221443075866
Energy: 0.7540272815531671
Energy: 0.7021744799995916
Energy: 0.7540272815531671
Energy: 0.7049271427444971
Energy: 0.7266222607226984
Energy: 1.2487051623464247
Energy: 0.7266222607207786
Energy: 0.6633446298274965
Energy: 0.7004152933112667
Energy: 0.7564077032503028
Energy: 0.7004152933112667
Energy: 0.7054686869609593
Energy: 0.7002863892076321
Energy: 1.167122337136915
Energy: 0.7002863892085921
Energy: 0.963548597520643
Energy: 0.824439315790259
Energy: 0.7021920280451073
Energy: 0.8244393157921786
Energy: 0.7050015270523844
Energy: 0.7264968504537058
Energy: 1.0370541043170278
Energy: 0.7264968504546657
Energy: 0.9850036009636773
Energy: 0.9975827181248468
Energy: 0.705648589315559
Energy: 0.9975827181248468
Energy: 0.705640317394506
Energy: 0.7003092021351615
Energy: 0.6637715554799489
Energy: 0.7003092021361212
Energy: 0.971105849588794
Energy: 0.825125322710024
Energy: 0.7077533889936454
Energy: 0.825125322710024
Energy: 0.7049090453316458
Energy: 0.7536423379582895
Energy: 0.6518313923265674
Energy: 0.7536423379582895
Energy: 0.9562171320002635
Energy: 0.7265545625562468
Energy: 0.7058344772534194
Energy: 0.7265545625562468
Energy: 0.7594493465907707
Energy: 0.7004717815395537
Energy: 0.6635415509814023
Energy: 0.7004717815395537
Energy: 1.1635541588124052
Energy: 0.8281868199945478
Energy: 0.707909822156322
Energy: 0.828186819993588
Energy: 0.7051212085567861
Energy: 0.8241113923352077
Energy: 0.6574518383076403
Energy: 0.8241113923371275
Energy: 0.6987990302177839
Energy: 0.726344139798691
Energy: 0.7063478480105894
Energy: 0.726344139798691
Energy: 0.7061721084683754
Energy: 0.701449486717124
Energy: 0.9830356921836996
Energy: 0.7014494867161642
Energy: 0.6647957527517997
Energy: 0.8282627839349955
Energy: 0.7079470701152056
Energy: 0.8282627839359554
Energy: 0.7106163082292847
Energy: 0.8240868825689609
Energy: 0.9700424761196925
Energy: 0.8240868825689609
Energy: 0.670277550260987
Energy: 0.7541538005616136
Energy: 0.706367330751473
Energy: 0.7541538005606538

minimum gb energy = 0.6503221443075866 eV
minimum distance =  2.3410879608051 Angstroms
sigma value = 41


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

Energy: 1.038882667345569
Energy: 0.6458471428027136
Energy: 1.1941613789253767
Energy: 0.6458471428027136
Energy: 1.348352599592388
Energy: 0.6278969901881609
Energy: 0.6143655006533851
Energy: 0.6278969901881609
Energy: 0.6459727772429841
Energy: 0.6124291825882513
Energy: 0.5820105122186261
Energy: 0.6124291825874644
Energy: 1.0149247079358374
Energy: 0.6283958343064636
Energy: 0.6145797069664424
Energy: 0.6283958343056767
Energy: 0.61192467958602
Energy: 0.6657974261134572
Energy: 0.5960660448153099
Energy: 0.6657974261134572
Energy: 0.7987546479345444
Energy: 0.6279171923818734
Energy: 0.6142807167583426
Energy: 0.6279171923818734
Energy: 0.6137482913380804
Energy: 0.6284946290785142
Energy: 0.8848733305644986
Energy: 0.6284946290793011
Energy: 0.6027554741314246
Energy: 0.646062712878176
Energy: 0.6124408685670549
Energy: 0.6460627128789629
Energy: 0.615985188894576
Energy: 0.6461687998833978
Energy: 1.0808965276233373
Energy: 0.6461687998881195
Energy: 0.600019841893516
Energy: 0.6118804958055036
Energy: 0.6465102677106751
Energy: 0.6118804958062906
Energy: 0.6138079277693577
Energy: 0.6288429915527227
Energy: 1.1858960510277288
Energy: 0.6288429915527227
Energy: 0.6032001930756181
Energy: 0.64555698355498
Energy: 1.037071465156715
Energy: 0.645556983554193
Energy: 0.6159410758416405
Energy: 0.6476705653845406
Energy: 1.2629000357920128
Energy: 0.6476705653829669
Energy: 0.8583554266552993
Energy: 0.7095714990429697
Energy: 0.6464708167986337
Energy: 0.7095714990421828
Energy: 0.6140225067225762
Energy: 0.628519814351996
Energy: 1.0126991002876558
Energy: 0.6285198143480613
Energy: 0.8633877223969926
Energy: 0.6451184643398086
Energy: 0.6124536699957714
Energy: 0.6451184643390216
Energy: 0.6158860255284205
Energy: 0.6465860634893836
Energy: 0.9055891915129646
Energy: 0.6465860634893836
Energy: 0.8563902765721181
Energy: 0.7107782408314903
Energy: 0.614398904116437
Energy: 0.7107782408330642
Energy: 0.6139472084891546
Energy: 0.6457766406410692
Energy: 0.5999803495114355
Energy: 0.6457766406418562
Energy: 0.8784119410001197
Energy: 0.6451490437068013
Energy: 0.618756313848622
Energy: 0.6451490437060144
Energy: 0.6483565520545111
Energy: 0.6464527520350359
Energy: 0.5907598698599049
Energy: 0.6464527520334622
Energy: 1.1861846993779432
Energy: 0.6665634540344817
Energy: 0.614505510710506
Energy: 0.6665634540321209
Energy: 1.0343367378725252
Energy: 0.6455932557739459
Energy: 0.6003565300099762
Energy: 0.6455932557747328
Energy: 1.0444605496282067
Energy: 0.6471513797905505
Energy: 0.6186587388611998
Energy: 0.6471513797897637
Energy: 0.6487280021473504
Energy: 0.7073960368212582
Energy: 0.5815350529826617
Energy: 0.7073960368204713
Energy: 1.0128283528528206
Energy: 1.171414283123089
Energy: 0.6147048273875064
Energy: 1.1714142831238759
Energy: 0.6143008998211005
Energy: 0.6451846357569562
Energy: 0.8615770072872463
Energy: 0.645184635759317
Energy: 0.6289655511978209
Energy: 0.6469487653510045
Energy: 0.6184432851124337
Energy: 0.646948765728583
Energy: 0.6162742547524822
Energy: 0.7080762645500315
Energy: 0.8540917482425369
Energy: 0.7080762645508183
Energy: 0.5977267071307817
Energy: 0.9483470197140422
Energy: 0.6164378572107521
Energy: 0.9483470197140422
Energy: 0.6184184856007179
Energy: 0.6453253147436319
Energy: 0.8767010011541655
Energy: 0.6453253147412712
Energy: 0.6016403913299163
Energy: 0.6471076627114559
Energy: 0.6518596605420977
Energy: 0.647107662710669

minimum gb energy = 0.5815350529826617 eV
minimum distance =  2.33503579305584 Angstroms
sigma value = 15


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

Energy: 0.9386715642337563
Energy: 0.5756532359053628
Energy: 0.8700367187530677
Energy: 0.5756532359060295
Energy: 1.3405753620107228
Energy: 0.572655312383781
Energy: 0.5737907692230987
Energy: 0.572655312383781
Energy: 0.599662535628862
Energy: 0.5723364782772725
Energy: 0.5491492026855832
Energy: 0.5723364782772725
Energy: 1.0497017341368111
Energy: 0.5728509722321823
Energy: 0.5739036699753387
Energy: 0.5728509722335156
Energy: 0.571859462050736
Energy: 0.6279618612762018
Energy: 0.5435146474024075
Energy: 0.6279618603960054
Energy: 0.9028373124541199
Energy: 0.5727400321078179
Energy: 0.5737165100987192
Energy: 0.5727400321051515
Energy: 0.5736018600950021
Energy: 0.5860353844985908
Energy: 0.5580497348229442
Energy: 0.5860353844985908
Energy: 0.7289215013005366
Energy: 0.5856761402630246
Energy: 0.5738314040326471
Energy: 0.5856761402656911
Energy: 0.5749177039316724
Energy: 0.5873604585711503
Energy: 0.820006964085468
Energy: 0.5873604585658172
Energy: 0.5503768630067806
Energy: 0.5726775651859324
Energy: 0.5724801591005632
Energy: 0.5726775651845991
Energy: 0.573573902791764
Energy: 0.5725482168585714
Energy: 1.0471818039412657
Energy: 0.5725482168505718
Energy: 0.5444088963501508
Energy: 0.5721213000084281
Energy: 0.6001225188189598
Energy: 0.5721213000070948
Energy: 0.5749782145715157
Energy: 0.5874758717865846
Energy: 1.268555641977273
Energy: 0.5874758719624541
Energy: 0.5484534904182563
Energy: 0.5733664653082885
Energy: 0.9352082163795788
Energy: 0.5733664652962892
Energy: 0.5734628086212751
Energy: 0.5730466441518915
Energy: 1.1970485103050086
Energy: 0.5730466450507536
Energy: 0.7755594611753912
Energy: 0.5720060444793523
Energy: 0.6002136567257249
Energy: 0.572006044478019
Energy: 0.5749966187358749
Energy: 0.586808408807345
Energy: 1.1141196194550622
Energy: 0.5868084088106782
Energy: 0.7753021610298081
Energy: 0.6261379358795919
Energy: 0.5722857368970041
Energy: 0.6261379359801926
Energy: 0.5737480635338047
Energy: 0.5727921736229751
Energy: 0.9061869230441134
Energy: 0.572792173628914
Energy: 0.7695734190211508
Energy: 0.5718976064401191
Energy: 0.574046366757129
Energy: 0.5718976064381192
Energy: 0.5748505768535315
Energy: 0.5999887380323431
Energy: 0.8102441131062329
Energy: 0.5999887380303432
Energy: 0.7855462490780859
Energy: 0.5862652699506158
Energy: 0.5768064080910678
Energy: 0.5862652699459495
Energy: 0.5735859907661214
Energy: 0.5726541377982468
Energy: 0.547720095593512
Energy: 0.5726541377982468
Energy: 1.0970830463429873
Energy: 0.5718145523903547
Energy: 0.5737962969905808
Energy: 0.5718145523923547
Energy: 0.6014314452574375
Energy: 0.6064258831287896
Energy: 0.5390671601295064
Energy: 0.6064258831314563
Energy: 1.0691975062455183
Energy: 0.5861199162659737
Energy: 0.5766709579412803
Energy: 0.5861199162626407
Energy: 0.9334003313649029
Energy: 0.5727819391850038
Energy: 0.5478097909451828
Energy: 0.5727819391850038
Energy: 1.1938470559089538
Energy: 0.5725293710222223
Energy: 0.5738384489935013
Energy: 0.5725293710255553
Energy: 0.601340862726291
Energy: 0.6551912443691449
Energy: 0.5342008312959711
Energy: 0.6551912443918104
Energy: 0.9227377256469292
Energy: 0.5864335371534573
Energy: 0.5769230174472726
Energy: 0.5864335371534573
Energy: 0.5734688511811041
Energy: 0.6257281614408936
Energy: 0.7729067551679981
Energy: 0.6257281612290259
Energy: 0.901613071106218
Energy: 0.5723369819718364
Energy: 0.5737701308306891
Energy: 0.5723369819731696
Energy: 0.5748396998372908
Energy: 0.6547754803316655
Energy: 0.7677824169907617
Energy: 0.654775480336938
Energy: 0.5649582611305395
Energy: 0.5996171972273296
Energy: 0.5767516435229855
Energy: 0.5996171972319962
Energy: 0.5649820169686216
Energy: 0.6276237583800117
Energy: 0.7833460783016212
Energy: 0.6276237584300092
Energy: 0.5483715601445627
Energy: 0.5722451606717247
Energy: 0.5753757408840512
Energy: 0.5722451606743911
Energy: 0.5750979273249156
Energy: 0.6530677277459721
Energy: 1.0946760497007542
Energy: 0.6530677277486386

minimum gb energy = 0.5342008312959711 eV
minimum distance =  2.34112761289418 Angstroms
sigma value = 85


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

Energy: 0.9569432942139305
Energy: 0.575477454705131
Energy: 1.0821657681262935
Energy: 0.5754774623017979
Energy: 1.3896280107408194
Energy: 0.5603727686632765
Energy: 0.5212666507741112
Energy: 0.5603727686632765
Energy: 0.92331458043574
Energy: 0.5719375802994797
Energy: 0.6883243312224203
Energy: 0.5719375802977452
Energy: 1.1187682922552393
Energy: 0.5611100413882656
Energy: 0.5210276975136153
Energy: 0.5611100413888438
Energy: 0.6444705736006517
Energy: 0.5318109004172564
Energy: 0.5444943842874626
Energy: 0.5318109004161001
Energy: 0.9848760566107262
Energy: 0.5738692750524805
Energy: 0.521241213003697
Energy: 0.5738692750524805
Energy: 0.6052807056175233
Energy: 0.5794737922634636
Energy: 0.574541512691563
Energy: 0.5794737922640418
Energy: 0.8510021507328155
Energy: 0.5595869739023902
Energy: 0.5318696682851924
Energy: 0.5595869739035466
Energy: 0.531401392378197
Energy: 0.5395258414298993
Energy: 0.8543972213134062
Energy: 0.5395258414293211
Energy: 0.7044853817147827
Energy: 0.5728260723708716
Energy: 0.6046618694927007
Energy: 0.5728260723714498
Energy: 0.5217869214176408
Energy: 0.5600337027796756
Energy: 1.0595188221076695
Energy: 0.5600337027802537
Energy: 0.5383029102750874
Energy: 0.5593599655094798
Energy: 0.6434132085563012
Energy: 0.5593599655089014
Energy: 0.5208406140393683
Energy: 0.539673785629268
Energy: 1.1788866251108097
Energy: 0.5396737856310027
Energy: 0.45383733366566825
Energy: 0.5732758536126785
Energy: 0.9205024589896981
Energy: 0.5732758536080531
Energy: 0.5219648033543747
Energy: 0.5606400257431984
Energy: 1.2546108786831682
Energy: 0.5606400257437765
Energy: 0.45734937679978926
Energy: 0.5594366845535276
Energy: 0.8872129604757967
Energy: 0.5594366845523712
Energy: 0.5210289409082725
Energy: 0.5406536480708798
Energy: 1.305341604358633
Energy: 0.5406536480703016
Energy: 0.6649387468880088
Energy: 0.5706004330325761
Energy: 0.920703915297259
Energy: 0.5706004326673298
Energy: 0.5219659551513528
Energy: 0.5611871556557312
Energy: 1.118705766652435
Energy: 0.561187155655153
Energy: 0.6682001215163237
Energy: 0.5599633915541298
Energy: 0.6431077418655681
Energy: 0.5599633915558643
Energy: 0.5215833986915187
Energy: 0.5504657178989161
Energy: 0.9843368975042808
Energy: 0.5504657178989161
Energy: 0.7414463572498562
Energy: 0.559288258486936
Energy: 0.6047442958728924
Energy: 0.5592882584880923
Energy: 0.533071297429866
Energy: 0.5597142776473054
Energy: 0.8513927981465502
Energy: 0.5597142776478835
Energy: 0.7693059954321041
Energy: 0.5796385569722746
Energy: 0.5320500297532241
Energy: 0.5796385569722746
Energy: 0.6050738577796745
Energy: 0.5595360435463828
Energy: 0.7752909188377988
Energy: 0.5595360435463828
Energy: 1.03853350502578
Energy: 0.5593421734088793
Energy: 0.5232726733428602
Energy: 0.5593421734088793
Energy: 0.6437324033569018
Energy: 0.5593231024129265
Energy: 0.5402797581694485
Energy: 0.559323102407723
Energy: 1.060024429727814
Energy: 0.579371323744007
Energy: 0.521106124301226
Energy: 0.5793713237428506
Energy: 0.9198974920996491
Energy: 0.5705062304762131
Energy: 0.45398552457029245
Energy: 0.5705062304767912
Energy: 1.2620877913127309
Energy: 0.5597204142373522
Energy: 0.5233408085952272
Energy: 0.5597204142373522
Energy: 0.9534834037598748
Energy: 0.5708333892444527
Energy: 0.4569501526172063
Energy: 0.5708333895490174
Energy: 1.1600635975230105
Energy: 0.5795813150828861
Energy: 0.5215259097386189
Energy: 0.5795813150782868
Energy: 0.9198443276190275
Energy: 0.570632236848694
Energy: 0.45048881037330984
Energy: 0.5706322368492722
Energy: 1.1245408778446337
Energy: 0.5595254163972777
Energy: 0.5232847003765532
Energy: 0.5595254163978559
Energy: 0.6439012154205754
Energy: 0.5595699286375059
Energy: 0.6682203337160851
Energy: 0.5595699287207101
Energy: 0.8809037516160386
Energy: 0.5896760200869676
Energy: 0.522694201059646
Energy: 0.5896760207833744
Energy: 0.6051113387781136
Energy: 0.5593274510431843
Energy: 0.7466651701791194
Energy: 0.5593274510437624
Energy: 0.8510596965692484
Energy: 0.5596837557316884
Energy: 0.534768624764475
Energy: 0.5596837557316884
Energy: 0.5331264911830371
Energy: 0.7891670181117654
Energy: 0.769410477857325
Energy: 0.7891670181123435
Energy: 0.568479926929485
Energy: 0.5993797738770206
Energy: 0.606486284307433
Energy: 0.5993797738752861
Energy: 0.5252225660292111
Energy: 0.5592663905547137
Energy: 1.0372692960832115
Energy: 0.5592663905541355
Energy: 0.5405223882232976
Energy: 0.5592772326509587
Energy: 0.6453913250978294
Energy: 0.559277232648068
Energy: 0.522097393427799
Energy: 0.7888430805405087
Energy: 1.0596907316956148
Energy: 0.7888430805405087

minimum gb energy = 0.45048881037330984 eV
minimum distance =  2.29279616989354 Angstroms
sigma value = 113


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

Energy: 0.0185924597998295
Energy: 0.019035699660402985
Energy: 0.7868867440722075
Energy: 0.019035699659958518
Energy: 0.743270568420469
Energy: -0.5190487469647586
Energy: -0.518932166859719
Energy: -0.5190487469638696
Energy: 0.0185924597998295
Energy: 0.019035699660402985
Energy: 0.7868867440722075
Energy: 0.019035699659958518
Energy: 0.743270568420469
Energy: -0.5190487469643141
Energy: -0.518932166859719
Energy: -0.5190487469647586
Energy: 0.0185924597998295
Energy: 0.019035699660402985
Energy: 0.786886744070479
Energy: 0.019035699659958518
Energy: 0.7432705684209134
Energy: -0.5190487469643141
Energy: -0.518932166859324
Energy: -0.5190487469634252

minimum gb energy = -0.5190487469647586 eV
minimum distance =  2.46812761867896 Angstroms
sigma value = 1