Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
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=2.85487599670887
cohesive_energy=3.874281369635567
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: -0.141421623913241 eV

========================================
theta = 0.0
========================================

Energy: 0.012009442754409726
Energy: 0.012227085664169458
Energy: 2.772330515272697
Energy: 0.012227085664169458
Energy: 0.012227085664169458
Energy: 0.012242266312168256
Energy: 0.4123751073022592
Energy: 0.012242266313146
Energy: 2.772330515272697
Energy: 0.4123751073022592
Energy: 0.412350130952855
Energy: 0.4123751073022592
Energy: 0.012227085664169458
Energy: 0.012242266312168256
Energy: 0.4123751073022592
Energy: 0.012242266312168256

minimum gb energy = 0.012009442754409726 eV
minimum distance =  2.47005192409459 Angstroms
sigma value = 1


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

Energy: 1.4077504410334236
Energy: 1.224793593001158
Energy: 2.258941432203297
Energy: 1.2247935930035974
Energy: 1.441812676763727
Energy: 0.9005124791580656
Energy: 1.0462125667231301
Energy: 0.9005124791556264
Energy: 1.606535720836931
Energy: 0.910030534248809
Energy: 0.9034436406532107
Energy: 0.9100305342512485
Energy: 1.3245401474678902
Energy: 0.9023370525756985
Energy: 0.9824630769651006
Energy: 0.9023370525805772
Energy: 1.3257337896416153
Energy: 0.9023904652048955
Energy: 1.2958395962049791
Energy: 0.902390465202456
Energy: 1.438328572333373
Energy: 0.895657028476264
Energy: 0.8953765027106211
Energy: 0.8956570284787035
Energy: 1.1095130274471376
Energy: 1.157850943863534
Energy: 0.8952813058756696
Energy: 1.157850943863534
Energy: 0.9021214786845598
Energy: 0.8945384159057326
Energy: 1.2834063011362937
Energy: 0.8945384159057326
Energy: 1.1058786488323151
Energy: 1.0458888663101875
Energy: 1.2746857479326081
Energy: 1.0458888663114074
Energy: 1.4588976783280727
Energy: 1.1537698896716884
Energy: 1.1323012989625498
Energy: 1.1537698896692488
Energy: 0.8984042467918484
Energy: 1.0514034143097326
Energy: 1.2755877667741162
Energy: 1.0514034143097326
Energy: 0.8983806370310904
Energy: 0.8983189910040331
Energy: 1.803540857026123
Energy: 0.8983189910015937
Energy: 1.0885107529596783
Energy: 1.0500862674229066
Energy: 1.3290455145913322
Energy: 1.0500862673619509
Energy: 0.9092875664288547
Energy: 1.1562114517332887
Energy: 1.3682570133487633
Energy: 1.1562114517357278
Energy: 0.9118189989707464
Energy: 0.8947775056833694
Energy: 1.436225639206848
Energy: 0.8947775056833694
Energy: 0.966349113617615
Energy: 0.8949330252281671
Energy: 1.43943130670537
Energy: 0.8949330252257276
Energy: 0.9095012200556395
Energy: 1.1560081941452576
Energy: 1.370383493321493
Energy: 1.1560081941440379
Energy: 1.087494005746275
Energy: 1.051172536131898
Energy: 1.3056511005343228
Energy: 1.0511725361306783
Energy: 0.8984200296054763
Energy: 0.898235965049442
Energy: 1.829041340650426
Energy: 0.8982359650543208
Energy: 0.898541854686161
Energy: 1.0511735228423318
Energy: 1.1082704593155566
Energy: 1.0511735228423318
Energy: 1.4597104251153952
Energy: 1.1533339675482683
Energy: 1.1241627775942888
Energy: 1.153333967554367
Energy: 1.1054662390538548
Energy: 1.0402975477939247
Energy: 1.2755786901635389
Energy: 1.040297547792705
Energy: 1.126766327042136
Energy: 0.8946917221754874
Energy: 1.099034446027209
Energy: 0.8946917221754874
Energy: 1.2711421127526852
Energy: 1.1564621016815326
Energy: 0.8954546458519459
Energy: 1.1564621016790932
Energy: 1.439500290801132
Energy: 0.8956018676580619
Energy: 0.8954126806797402
Energy: 0.8956018676592816
Energy: 1.3681838313450638
Energy: 0.9024707032132487
Energy: 1.2886965276873064
Energy: 0.902470703212029
Energy: 1.2970790361902533
Energy: 0.9027705357704007
Energy: 0.9099771544971135
Energy: 0.9027705357679613
Energy: 1.607282460169437
Energy: 0.9099325114246697
Energy: 0.9296955724178066
Energy: 0.9099325114210105
Energy: 1.44272485952281
Energy: 0.9004144436269417
Energy: 1.046443098244923
Energy: 0.9004144436269417
Energy: 1.4018460649782714
Energy: 1.0536495076740653
Energy: 0.9101832389801885
Energy: 1.053649507671626
Energy: 1.442516453961919
Energy: 0.9005859721633068
Energy: 0.9426181707971885
Energy: 0.9005859721681855
Energy: 1.4386531001368676
Energy: 0.897668740266483
Energy: 0.9034361838949972
Energy: 0.8976687402652634
Energy: 1.3253840419767744
Energy: 1.0413639377369066
Energy: 0.9825682202247213
Energy: 1.0413639377356867

minimum gb energy = 0.8945384159057326 eV
minimum distance =  2.26536761740546 Angstroms
sigma value = 1


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

Energy: 1.5178445519717216
Energy: 1.2406502788153984
Energy: 2.3130132499586744
Energy: 1.2406502788153984
Energy: 1.3473671413190207
Energy: 1.0805336284765121
Energy: 1.124053545402556
Energy: 1.0805336284751217
Energy: 1.3553436723768648
Energy: 0.9473681027527456
Energy: 0.9555460688489622
Energy: 0.9473681027527456
Energy: 0.9317662341412244
Energy: 1.082341114625477
Energy: 1.1239806943044715
Energy: 1.0823411146240867
Energy: 0.9316874249649617
Energy: 1.0820004094024915
Energy: 1.3857316780357332
Energy: 1.0820004094024915
Energy: 1.3554522916003644
Energy: 0.930306144013814
Energy: 0.9306304271308944
Energy: 0.9303061440152045
Energy: 1.013138409990534
Energy: 1.00372065614383
Energy: 0.9309275601365445
Energy: 1.00372065614383
Energy: 0.9303054651407677
Energy: 0.9304810278684141
Energy: 1.3865323199927433
Energy: 0.9304810278684141
Energy: 1.013187816847925
Energy: 1.080417638710478
Energy: 1.3554679798592395
Energy: 1.080417638710478
Energy: 1.124636582923815
Energy: 0.9321518228647806
Energy: 0.9318426667989481
Energy: 0.9321518228647806
Energy: 1.0166541217198244
Energy: 1.0824826496164135
Energy: 1.3561022189083238
Energy: 1.0824826496164135
Energy: 1.0169622173014106
Energy: 0.9303005651018069
Energy: 1.7339507714054863
Energy: 0.9303005651018069
Energy: 1.1242266642942336
Energy: 1.0803081172748346
Energy: 1.41326797279777
Energy: 1.0803081172748346
Energy: 1.1242266642914522
Energy: 1.0802297508707446
Energy: 1.413374031119026
Energy: 1.0802297508721355
Energy: 1.0169703994822306
Energy: 0.9302773275977093
Energy: 1.7350384717538043
Energy: 0.9302773275977093
Energy: 1.016673612008357
Energy: 1.082485109686459
Energy: 1.3562358093024622
Energy: 1.082485109686459
Energy: 1.124636582927987
Energy: 0.9321717257008771
Energy: 0.9318838269270425
Energy: 0.9321717257008771
Energy: 1.0132100398969437
Energy: 1.0804531747104795
Energy: 1.3555012040253664
Energy: 1.0804531747104795
Energy: 0.9303079281451583
Energy: 0.9304803446153899
Energy: 1.3865323199927433
Energy: 0.9304803446153899
Energy: 1.0132818958584968
Energy: 1.0038496758578956
Energy: 0.9307496041419356
Energy: 1.003849675859286
Energy: 1.3561258960959515
Energy: 0.9303096873700482
Energy: 0.9307144101249557
Energy: 0.9303096873700482
Energy: 0.9316872757738639
Energy: 1.0818538730580343
Energy: 1.3857316780468583
Energy: 1.0818538730594247
Energy: 0.9317930018783408
Energy: 1.0824283488097686
Energy: 1.1239806943128152
Energy: 1.0824283488097686
Energy: 1.355183857156399
Energy: 0.9473732289886957
Energy: 0.9553325836974373
Energy: 0.9473732289886957
Energy: 1.3473965995710389
Energy: 1.0805493354992906
Energy: 1.1240535454011655
Energy: 1.0805493354992906
Energy: 1.5178445519717216
Energy: 1.2406502788167892
Energy: 2.3130132499378147
Energy: 1.2406502788153984
Energy: 1.3473671413204111
Energy: 1.0805336284765121
Energy: 1.124053545402556
Energy: 1.0805336284765121
Energy: 1.3553436723754744
Energy: 0.947368102751355
Energy: 0.9555460688489622
Energy: 0.9473681027527456
Energy: 0.9317662341412244
Energy: 1.0823411146240867
Energy: 1.1239806943044715
Energy: 1.0823411146240867

minimum gb energy = 0.9302773275977093 eV
minimum distance =  2.27850498527156 Angstroms
sigma value = 25


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

Energy: 1.3429194068678858
Energy: 1.1101509396662403
Energy: 2.2943591762571427
Energy: 1.1101509396646239
Energy: 1.4530475558759457
Energy: 0.9931445165618612
Energy: 1.193624234013264
Energy: 0.9931445165602446
Energy: 1.4437499959281568
Energy: 1.0065691118344047
Energy: 1.0335052386994377
Energy: 1.0065691118360214
Energy: 1.29638704882175
Energy: 0.9918666340369817
Energy: 1.114150942955158
Energy: 0.9918666340369817
Energy: 1.2649410153886744
Energy: 0.9918291616141329
Energy: 1.282628656968092
Energy: 0.9918291616141329
Energy: 1.443012587246076
Energy: 0.9934227203496121
Energy: 0.9931300214140341
Energy: 0.9934227203479955
Energy: 1.0046131993261531
Energy: 0.9921364424567684
Energy: 0.99312642602151
Energy: 0.9921364424616183
Energy: 1.0070950833676435
Energy: 1.0041406003446773
Energy: 1.4694334925357604
Energy: 1.0041406003446773
Energy: 1.0937780255175364
Energy: 1.2258919086629352
Energy: 1.269266624270233
Energy: 1.2258919086629352
Energy: 1.0798952033633586
Energy: 1.001533198123702
Energy: 1.3294535954113609
Energy: 1.001533198123702
Energy: 1.079779246286613
Energy: 1.0767455580062606
Energy: 1.4502997902767218
Energy: 1.0767455580094938
Energy: 1.1011292190385324
Energy: 1.004455708003971
Energy: 1.4423186043930765
Energy: 1.0044557080055876
Energy: 1.0797500284281913
Energy: 1.001073918884861
Energy: 1.315691449451192
Energy: 1.0010739188832445
Energy: 1.1354140867498608
Energy: 0.9919339077015876
Energy: 1.2725918273419647
Energy: 0.9919339077015876
Energy: 1.003906476688419
Energy: 1.0046983419632685
Energy: 1.7048465994144248
Energy: 1.0046983419632685
Energy: 1.0043883840599772
Energy: 0.9928999048864462
Energy: 0.9932226969865843
Energy: 0.9928999048848296
Energy: 1.7148903501739154
Energy: 0.9936402120354393
Energy: 0.9928548682740443
Energy: 0.9936402120354393
Energy: 1.2674316295092438
Energy: 0.9920795017590462
Energy: 1.2972698986761233
Energy: 0.9920795017590462
Energy: 1.3236994547229806
Energy: 0.9922370834325128
Energy: 1.114394896144878
Energy: 0.9922370834341295
Energy: 1.2838585007118706
Energy: 0.9933069566825726
Energy: 1.0067905887942767
Energy: 0.9933069566809561
Energy: 1.4530089402974355
Energy: 0.9937020187669342
Energy: 1.059357751310117
Energy: 0.9937020187653176
Energy: 1.3446511594140316
Energy: 1.0015537835953192
Energy: 1.0344994452924268
Energy: 1.001553783596936
Energy: 1.452693864719621
Energy: 1.143231476045931
Energy: 1.193502829405084
Energy: 1.1432314760475475
Energy: 1.4433673137748735
Energy: 1.0327309164215352
Energy: 1.0328557787373542
Energy: 1.0327309164215352
Energy: 1.2649496032356322
Energy: 0.9918081030518241
Energy: 1.033546990374476
Energy: 0.9918081030550572

minimum gb energy = 0.9918081030518241 eV
minimum distance =  2.32007785481922 Angstroms
sigma value = 9


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

Energy: 1.0261063538430109
Energy: 1.0254123443268355
Energy: 2.376656503749825
Energy: 1.025412344327427
Energy: 1.0247242732804613
Energy: 1.0367966378167242
Energy: 1.0373332587445263
Energy: 1.0367966378167242
Energy: 1.1438623494308264
Energy: 1.0753355140384115
Energy: 1.1437963905616044
Energy: 1.0753355140388061
Energy: 1.0368554932206155
Energy: 1.037056349098428
Energy: 1.1488522687996416
Energy: 1.0370563490986031
Energy: 1.0368767311864568
Energy: 1.0370598300457954
Energy: 1.1439701866759098
Energy: 1.03705983004562
Energy: 1.693468412369226
Energy: 1.036969469153711
Energy: 1.0368771154182035
Energy: 1.0369694691540834
Energy: 1.1436245521703596
Energy: 1.0370076171834168
Energy: 1.0369993715599857
Energy: 1.0370076171841838
Energy: 1.1439578576672138
Energy: 1.1435451060077044
Energy: 1.5369454151492898
Energy: 1.1435451060071347
Energy: 1.309224492549215
Energy: 1.0367674486928862
Energy: 1.0242330746254378
Energy: 1.0367674486923166
Energy: 1.309247199049101
Energy: 1.0246423745819582
Energy: 1.0244403093889238
Energy: 1.0246423745813884
Energy: 1.1488744002145295
Energy: 1.1366859243640013
Energy: 1.5387053644767932
Energy: 1.1366859243640013
Energy: 1.1439634225954376
Energy: 1.024783942056445
Energy: 1.143455797468115
Energy: 1.024783942055875
Energy: 1.3087461652001402
Energy: 1.037787279540262
Energy: 1.0375218692977348
Energy: 1.0377872795400647
Energy: 1.143485940392834
Energy: 1.1197138552041286
Energy: 1.1435720806949827
Energy: 1.1197138552031642
Energy: 1.0382330824528474
Energy: 1.0377840697052743
Energy: 1.3087461652018715
Energy: 1.0377840697052743
Energy: 1.1434477668492449
Energy: 1.0241906875947546
Energy: 1.1439443580584585
Energy: 1.0241906875955218
Energy: 1.538160186132797
Energy: 1.1365584562604365
Energy: 1.148866162086625
Energy: 1.1365584562608306
Energy: 1.0244288885412032
Energy: 1.0246779040249525
Energy: 1.3092471990439072
Energy: 1.0246779040249525
Energy: 1.0242185861189315
Energy: 1.0367717912485872
Energy: 1.3092244925517134
Energy: 1.03677179124839
Energy: 1.5369876768891084
Energy: 1.1435374034672463
Energy: 1.1440310227324197
Energy: 1.143537403467816
Energy: 1.036978203560763
Energy: 1.0369070075828537
Energy: 1.1434702667763468
Energy: 1.0369070075824809

minimum gb energy = 1.0241906875947546 eV
minimum distance =  2.29453538738552 Angstroms
sigma value = 25


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

Energy: 1.1282349603523092
Energy: 1.3752278332049506
Energy: 2.2971312943026327
Energy: 1.3752278332051946
Energy: 1.5004260719750386
Energy: 1.2096952552890055
Energy: 1.157739805753681
Energy: 1.2096952552885176
Energy: 1.3119790329625822
Energy: 1.1605831536301594
Energy: 1.1571685443061694
Energy: 1.1605831536318398
Energy: 1.147189024100907
Energy: 1.1284565908755353
Energy: 1.1595598505961162
Energy: 1.128456590878164
Energy: 1.2521447078211523
Energy: 1.2033418434477128
Energy: 1.5097388478765368
Energy: 1.2033418434484446
Energy: 1.5773114810904423
Energy: 1.1041834756148043
Energy: 1.1038709180253614
Energy: 1.1041834756152922
Energy: 1.2042498764524314
Energy: 1.127802297941226
Energy: 1.1753771825326937
Energy: 1.127802297939329
Energy: 1.2076847198893812
Energy: 1.2127756651459562
Energy: 1.529856514338709
Energy: 1.2127756651445198
Energy: 1.2040322610067895
Energy: 1.104107263598553
Energy: 1.1038360320486555
Energy: 1.1041072635976044
Energy: 1.3123289499988335
Energy: 1.1041032208247767
Energy: 1.1037467921166613
Energy: 1.1041032208261858
Energy: 1.1276015010433424
Energy: 1.1284657560005396
Energy: 1.4479485869153381
Energy: 1.128465755999347
Energy: 1.1277284866856523
Energy: 1.1037060110507286
Energy: 1.159841847543573
Energy: 1.1037060110490755
Energy: 1.387862042153908
Energy: 1.159818102668585
Energy: 1.1603910909255688
Energy: 1.1598181026702654
Energy: 1.5030787987753949
Energy: 1.1036420346023168
Energy: 1.3319062933695633
Energy: 1.1036420346016123
Energy: 1.321760471458932
Energy: 1.3365200181765367
Energy: 1.3304128224617873
Energy: 1.3365200181769974
Energy: 1.500878517701736
Energy: 1.1286242858644497
Energy: 1.1597990404170668
Energy: 1.1286242858653985
Energy: 1.1283462076987596
Energy: 1.105024292692598
Energy: 1.1612407288247624
Energy: 1.1050242926909177

minimum gb energy = 1.1036420346016123 eV
minimum distance =  2.28431183853119 Angstroms
sigma value = 17


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

Energy: 1.4417125314861934
Energy: 1.32546405133097
Energy: 2.2367913609776915
Energy: 1.32546405133097
Energy: 1.3670011823803954
Energy: 1.2174750505750858
Energy: 1.208761803228634
Energy: 1.217475050576437
Energy: 1.1606345231064594
Energy: 1.1473082248238768
Energy: 1.1700914441905312
Energy: 1.1473082248252273
Energy: 1.1343559584915202
Energy: 1.1338187891085205
Energy: 1.181772595994535
Energy: 1.1338187891085205
Energy: 1.1646609382614939
Energy: 1.2229778550348878
Energy: 1.4042359560802022
Energy: 1.2229778550348878
Energy: 1.515636274498338
Energy: 1.3061293336257414
Energy: 1.1471086385766929
Energy: 1.3061293336243909
Energy: 1.310156777595608
Energy: 1.1328674946437751
Energy: 1.4039632054048543
Energy: 1.132867494639723
Energy: 1.192059863539087
Energy: 1.1332416204605287
Energy: 1.452031703924753
Energy: 1.1332416204605287
Energy: 1.2123034042985361
Energy: 1.1438451149300595
Energy: 1.1411845618302716
Energy: 1.1438451149287088
Energy: 1.4389604655186685
Energy: 1.2236954703266205
Energy: 1.1422595584843895
Energy: 1.2236954703293217
Energy: 1.139870039490678
Energy: 1.137675954051124
Energy: 1.416338890172352
Energy: 1.1376759540524746
Energy: 1.1372153490577082
Energy: 1.1421189886161582
Energy: 1.2728674663760022
Energy: 1.1421189886148078
Energy: 1.4400942308803362
Energy: 1.1946921243565733
Energy: 1.2286219136754775
Energy: 1.1946921243592747
Energy: 1.1370596369486132
Energy: 1.1375955124775032
Energy: 1.2235484257242548
Energy: 1.1375955124788542
Energy: 1.1372466886510952
Energy: 1.2286171731518847
Energy: 1.4712207361916279
Energy: 1.2286171731545554
Energy: 1.3902341216103715
Energy: 1.1414634804078267
Energy: 1.1401841495052853
Energy: 1.1414634804064763
Energy: 1.191239622092087
Energy: 1.29963132057623
Energy: 1.141925350873399
Energy: 1.2996313205748795
Energy: 1.1796802073693191
Energy: 1.1978270919167773
Energy: 1.3865258605418531
Energy: 1.197827091914076
Energy: 1.3109538013736837
Energy: 1.3026409536840005
Energy: 1.2691387340838287
Energy: 1.3026409536785977
Energy: 1.531732645374452
Energy: 1.217661249348815
Energy: 1.3890420411475175
Energy: 1.2176612493501657
Energy: 1.1437373378533042
Energy: 1.1594911758663329
Energy: 1.4093483904169575
Energy: 1.1594911758663329
Energy: 1.145114896285046
Energy: 1.1415197561767871
Energy: 1.1588399893249473
Energy: 1.1415197561754362
Energy: 1.3913272523515454
Energy: 1.1591772160580982
Energy: 1.1587028747370294
Energy: 1.1591772160567475
Energy: 1.3949209399437927
Energy: 1.246055812234884
Energy: 1.404922834872799
Energy: 1.2460558122335332
Energy: 1.4141210546355458
Energy: 1.1330739991060528
Energy: 1.4010791135243124
Energy: 1.1330739991060528
Energy: 1.3947793030333366
Energy: 1.1595844614197366
Energy: 1.1584837507072583
Energy: 1.159584461417035
Energy: 1.1450617782728203
Energy: 1.1418856467854976
Energy: 1.1463296659284226
Energy: 1.1418856467868483
Energy: 1.1439401307387915
Energy: 1.14358482456857
Energy: 1.3959640534672912
Energy: 1.143584824569921
Energy: 1.1587756439131347
Energy: 1.2239488803888245
Energy: 1.3920555466479
Energy: 1.223948880391526
Energy: 1.2906683791310367
Energy: 1.3062140589809208
Energy: 1.1459841413970089
Energy: 1.3062140589822715

minimum gb energy = 1.132867494639723 eV
minimum distance =  2.26167296452223 Angstroms
sigma value = 53


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

Energy: 1.0521181225172167
Energy: 1.0706754319874718
Energy: 2.3215755614815023
Energy: 1.0706754319880725
Energy: 1.0521312214427034
Energy: 1.0992404860928064
Energy: 1.0518582116675412
Energy: 1.0992404860922058
Energy: 1.5469798332833724
Energy: 1.1603974981830523
Energy: 1.1341485664153692
Energy: 1.1603974981830523
Energy: 1.1341265385748964
Energy: 1.160466566680407
Energy: 1.5470269634205376
Energy: 1.160466566681043
Energy: 1.0518332951834135
Energy: 1.0992226097961508
Energy: 1.0526565694114418
Energy: 1.0992226097951967
Energy: 2.3215755614839755
Energy: 1.0706754319874718
Energy: 1.0521181225178526
Energy: 1.0706754319874718
Energy: 1.0518582116675412
Energy: 1.0992404860928064
Energy: 1.0521312214417846
Energy: 1.0992404860934424
Energy: 1.1341485664144506
Energy: 1.1603974981833702
Energy: 1.5469798332833724
Energy: 1.1603974981830523
Energy: 1.5470269634205376
Energy: 1.160466566681043
Energy: 1.134126538576133
Energy: 1.1604665666816438
Energy: 1.0526565694120424
Energy: 1.0992226097961508
Energy: 1.0518332951846503
Energy: 1.0992226097967515
Energy: 1.0521181225172167
Energy: 1.0706754319880725
Energy: 2.3215755614836935
Energy: 1.0706754319874718
Energy: 1.0521312214423852
Energy: 1.0992404860922058
Energy: 1.0518582116681419
Energy: 1.0992404860931246
Energy: 1.5469798332827716
Energy: 1.1603974981830523
Energy: 1.1341485664153692
Energy: 1.1603974981830523

minimum gb energy = 1.0518332951834135 eV
minimum distance =  2.26596019296312 Angstroms
sigma value = 9


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

Energy: 1.2931629425957516
Energy: 1.3065803590004437
Energy: 2.1970949087875082
Energy: 1.3065803590015947
Energy: 1.4964718313380054
Energy: 1.270988030510112
Energy: 1.255111998729749
Energy: 1.2709880305089611
Energy: 1.2141924469386378
Energy: 1.1788555033327168
Energy: 1.178129613878145
Energy: 1.1788555033361694
Energy: 1.2179099641884565
Energy: 1.2527316867479308
Energy: 1.2492644006539138
Energy: 1.25273168674678
Energy: 1.3078350329666413
Energy: 1.1741204602112805
Energy: 1.4986282370962554
Energy: 1.1741204602089785
Energy: 1.485253281988737
Energy: 1.2561927749709847
Energy: 1.278816088160331
Energy: 1.256192774969834
Energy: 1.2321577255417433
Energy: 1.2710789285422686
Energy: 1.552930005262893
Energy: 1.2710789285422686
Energy: 1.1742467461887498
Energy: 1.229862931121342
Energy: 1.252860327015042
Energy: 1.229862931121342
Energy: 1.2353989707412278
Energy: 1.2381530017656301
Energy: 1.2319747910209295
Energy: 1.2381530017679319
Energy: 1.3005002777269938
Energy: 1.1784717226631154
Energy: 1.3084569461316466
Energy: 1.178471722665417
Energy: 1.1907291449662818
Energy: 1.253575198592672
Energy: 1.5416804652838694
Energy: 1.253575198594974
Energy: 1.6010138111704901
Energy: 1.2984278381121774
Energy: 1.2255695096239914
Energy: 1.29842783811563
Energy: 1.2493414967155514
Energy: 1.1852268449234384
Energy: 1.1878289285846684
Energy: 1.1852268449257402
Energy: 1.260664386417978
Energy: 1.2857364678272984
Energy: 1.3301556781554926
Energy: 1.2857364678296006
Energy: 1.2919007740268937
Energy: 1.2782949462680524
Energy: 1.227115760716649
Energy: 1.2782949462703541
Energy: 1.4850274866750262
Energy: 1.1863596314791205
Energy: 1.1905671035651302
Energy: 1.1863596314860259
Energy: 1.2778327639169633
Energy: 1.2594794887427219
Energy: 1.6300754786982141
Energy: 1.2594794887369674
Energy: 1.1937095551312058
Energy: 1.2495971011231664
Energy: 1.3055653861503709
Energy: 1.2495971011220155
Energy: 1.534885357722982
Energy: 1.273679509449459
Energy: 1.2295887717355087
Energy: 1.2736795094483082
Energy: 1.217827168198456
Energy: 1.2702361997164453
Energy: 1.2280456954521308
Energy: 1.2702361997152942
Energy: 1.1769941691535426
Energy: 1.2295381644171897
Energy: 1.5109845823786991
Energy: 1.229538164413737
Energy: 1.4220643050569703
Energy: 1.280680547790167
Energy: 1.2782724617436343
Energy: 1.2806805477867143
Energy: 1.361014625467963
Energy: 1.2541992253875953
Energy: 1.2776534777106197
Energy: 1.2541992253852936
Energy: 1.2687425432951922
Energy: 1.2133603287879622
Energy: 1.5195072301510275
Energy: 1.213360328789113
Energy: 1.2279922423753915
Energy: 1.267797612496218
Energy: 1.2010874145172639
Energy: 1.267797612496218
Energy: 1.3702704158500603
Energy: 1.2508234947146788
Energy: 1.2031027643942216
Energy: 1.2508234947169807
Energy: 1.4939301932747229
Energy: 1.266704352692453
Energy: 1.4435089014243199
Energy: 1.266704352692453
Energy: 1.292225738715072
Energy: 1.2665397609645408
Energy: 1.4445247756762654
Energy: 1.2665397609668425
Energy: 1.486522951356344
Energy: 1.2092753212665601
Energy: 1.2169932543890427
Energy: 1.209275321255051
Energy: 1.224295735444592
Energy: 1.3110661909381889
Energy: 1.2025797901558064
Energy: 1.311066190937038
Energy: 1.2133280862065265
Energy: 1.2537069646420094
Energy: 1.5170333911256
Energy: 1.2537069646408585
Energy: 1.3611543300875202
Energy: 1.2623152839970084
Energy: 1.2798248074143483
Energy: 1.2623152839958576
Energy: 1.5252204536405622
Energy: 1.2630439667751796
Energy: 1.2836837504950236
Energy: 1.2630439667763307
Energy: 1.2223693740269457
Energy: 1.1969583303079367
Energy: 1.4697755930380207
Energy: 1.1969583303079367
Energy: 1.1936106143033782
Energy: 1.2708818999078206
Energy: 1.2279232366843538
Energy: 1.2708818999078206

minimum gb energy = 1.1741204602089785 eV
minimum distance =  2.23378950181827 Angstroms
sigma value = 73


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

Energy: 1.4044074519933458
Energy: 1.2915673584058789
Energy: 2.2359375243064403
Energy: 1.2915673584051526
Energy: 1.3685370323513104
Energy: 1.2800996931573665
Energy: 1.3059537706431916
Energy: 1.2800996931575324
Energy: 1.2471835381165448
Energy: 1.2318665399596256
Energy: 1.1931517507311216
Energy: 1.2318665399587128
Energy: 1.2183200252464899
Energy: 1.1976152790733587
Energy: 1.3084739408914627
Energy: 1.1976152790735246
Energy: 1.3709739925616686
Energy: 1.197099103476222
Energy: 1.3361590525405935
Energy: 1.1970991034775085
Energy: 1.6654715196534062
Energy: 1.2829659163112999
Energy: 1.2028011679132327
Energy: 1.2829659163118392
Energy: 1.251193064072342
Energy: 1.2752955810888598
Energy: 1.4387535775385465
Energy: 1.275295581088486
Energy: 1.19950120128035
Energy: 1.1977815125619082
Energy: 1.2778837503065288
Energy: 1.197781512564274
Energy: 1.4252816873924923
Energy: 1.231918891461384
Energy: 1.333225575303784
Energy: 1.231918891448436
Energy: 1.2416781993936181
Energy: 1.2324695099585083
Energy: 1.321708610851075
Energy: 1.2324695099575955
Energy: 1.1975217209366666
Energy: 1.1975771868596874
Energy: 1.5719082335018617
Energy: 1.1975771868571352
Energy: 1.4251919431767048
Energy: 1.2855188660232904
Energy: 1.3345644528095948
Energy: 1.2855188660216512
Energy: 1.3700775701594463
Energy: 1.280875823562666
Energy: 1.2000061409010028
Energy: 1.280875823561753
Energy: 1.2470295576440158
Energy: 1.3405306781409745
Energy: 1.6631835135155797
Energy: 1.3405306781393354
Energy: 1.2182291014912312
Energy: 1.2855752105002556
Energy: 1.2441429766295788
Energy: 1.2855752105009817
Energy: 1.3388715419766866
Energy: 1.2322833465129504
Energy: 1.2283752216713142
Energy: 1.232283346514029
Energy: 1.3317547004016175
Energy: 1.284907564504965
Energy: 1.5872592993778782
Energy: 1.284907564503865
Energy: 1.3324807174002173
Energy: 1.2914768333991062
Energy: 1.5233859971259602
Energy: 1.2914768334000193
Energy: 1.4864044042785916
Energy: 1.2327235944665493
Energy: 1.2625559752326965
Energy: 1.2327235944658232
Energy: 1.2180790377349584
Energy: 1.3352412125878157
Energy: 1.193276491101278
Energy: 1.3352412125861766
Energy: 1.2470444205182336
Energy: 1.3072536921250884
Energy: 1.592357903011225
Energy: 1.3072536921258353
Energy: 1.370113114119602
Energy: 1.2858164636318938
Energy: 1.1999770487112154
Energy: 1.2858164636302545

minimum gb energy = 1.1931517507311216 eV
minimum distance =  2.23165014930377 Angstroms
sigma value = 7


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

Energy: 1.4945339239230286
Energy: 1.306618054834403
Energy: 2.227925246272996
Energy: 1.306618054834403
Energy: 1.4297009260231033
Energy: 1.3012211969817653
Energy: 1.2612777269282696
Energy: 1.3012211969843475
Energy: 1.296135366138005
Energy: 1.2279245308180395
Energy: 1.2284029500012645
Energy: 1.2279245308167481
Energy: 1.25353955258786
Energy: 1.2000810558120238
Energy: 1.2300555348400917
Energy: 1.2000810558107327
Energy: 1.319794335282729
Energy: 1.2273203712618954
Energy: 1.2006276163978467
Energy: 1.227320371274778
Energy: 1.6697410319060955
Energy: 1.199495730603498
Energy: 1.2021471239665118
Energy: 1.199495730603498
Energy: 1.2692328953869727
Energy: 1.3165499432420404
Energy: 1.495254010462656
Energy: 1.3165499432420404
Energy: 1.2021558487709325
Energy: 1.1996032070380838
Energy: 1.3158368533135338
Energy: 1.1996032070380838
Energy: 1.4164658842271973
Energy: 1.2276411746647686
Energy: 1.262357845623922
Energy: 1.227641174667351
Energy: 1.2290426687716722
Energy: 1.1998746625177703
Energy: 1.25417565105042
Energy: 1.1998746625177703
Energy: 1.2294287348345259
Energy: 1.2292033655915084
Energy: 1.3716736389297015
Energy: 1.2292033655927996
Energy: 1.6064195745211314
Energy: 1.2804427880015123
Energy: 1.3799353220893271
Energy: 1.280442788005386
Energy: 1.7239720045170521
Energy: 1.3241079362464114
Energy: 1.3805813750084204
Energy: 1.324107936243829
Energy: 1.2309205288795062
Energy: 1.2297262617308682
Energy: 1.622793535821837
Energy: 1.2297262617282858
Energy: 1.228806575745977
Energy: 1.2765218539778602
Energy: 1.249779478694418
Energy: 1.276521853976569
Energy: 1.5747185704788
Energy: 1.4654289008868213
Energy: 1.2992241746335247
Energy: 1.4654289008855599
Energy: 1.1995462125334755
Energy: 1.2014152614374494
Energy: 1.3161696653773767
Energy: 1.2014152614400315
Energy: 1.2695877586868425
Energy: 1.302789950641564
Energy: 1.5533442564572568
Energy: 1.3027899506402727
Energy: 1.6677783675528912
Energy: 1.200900031374049
Energy: 1.199523201778954
Energy: 1.2009000313714664
Energy: 1.3162564836700634
Energy: 1.2284452180818806
Energy: 1.1997918494295596
Energy: 1.2284452180818806
Energy: 1.2967880376031768
Energy: 1.3468540951979424
Energy: 1.2925505822039203
Energy: 1.3468540951979424
Energy: 1.2495704436536728
Energy: 1.2289378703637064
Energy: 1.2314023257874438
Energy: 1.2289378703662885
Energy: 1.5117057396337126
Energy: 1.290878848257241
Energy: 1.2921472068104727
Energy: 1.2908788482611147
Energy: 1.3796699667332568
Energy: 1.31002438080875
Energy: 1.6097391256703135
Energy: 1.31002438080875
Energy: 1.3845394393985702
Energy: 1.199266078434905
Energy: 1.3220312969518007
Energy: 1.199266078434905
Energy: 1.371301606036746
Energy: 1.2279636138713519
Energy: 1.2310141299075554
Energy: 1.2279636138726433
Energy: 1.2508008097688352
Energy: 1.199610547022442
Energy: 1.2300949416180726
Energy: 1.199610547022442
Energy: 1.3161392093936584
Energy: 1.227688489894023
Energy: 1.42220464140751
Energy: 1.2276884898927318
Energy: 1.316668532536792
Energy: 1.1991626677934666
Energy: 1.1991160713928772
Energy: 1.1991626677921752
Energy: 1.5002220924213698
Energy: 1.300779594573025
Energy: 1.4949603366447937
Energy: 1.3007795945704428
Energy: 1.1991162132005233
Energy: 1.1990185558988202
Energy: 1.3166685325264624
Energy: 1.1990185559001116

minimum gb energy = 1.1990185558988202 eV
minimum distance =  2.27886707439173 Angstroms
sigma value = 29


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

Energy: 1.1380045042617275
Energy: 1.290722164751094
Energy: 2.2119943646179228
Energy: 1.2907221647523934
Energy: 1.5285005157101381
Energy: 1.2143616897340355
Energy: 1.1882018577259048
Energy: 1.2143616897331357
Energy: 1.3919729014849778
Energy: 1.168101627517202
Energy: 1.169884884547604
Energy: 1.1681016275176517
Energy: 1.5635489701407324
Energy: 1.290899182779445
Energy: 1.1667393658328697
Energy: 1.290899182779445
Energy: 1.5862671816051102
Energy: 1.2506423492115737
Energy: 1.1683949966146088
Energy: 1.250642349211149
Energy: 1.3916328261872921
Energy: 1.168236284324678
Energy: 1.1682041348285035
Energy: 1.1682362843255525
Energy: 1.462470900521749
Energy: 1.2451816719183746
Energy: 1.818477683297495
Energy: 1.2451816719377389
Energy: 1.1349514769451288
Energy: 1.2448068739411162
Energy: 1.8185695017530765
Energy: 1.2448068739402416
Energy: 1.5281779667178448
Energy: 1.3304062089217747
Energy: 1.249141653512968
Energy: 1.3304062089204505

minimum gb energy = 1.1349514769451288 eV
minimum distance =  2.27738503632173 Angstroms
sigma value = 5


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

Energy: 1.3665020684308564
Energy: 1.3399628463891318
Energy: 1.9767203859574731
Energy: 1.3399628463915711
Energy: 1.5547452635406958
Energy: 1.222456204757052
Energy: 1.3319983195411846
Energy: 1.2224562047582719
Energy: 1.2387515624785004
Energy: 1.278478281037593
Energy: 1.2402030163529714
Energy: 1.2784782810412518
Energy: 1.2396015025083993
Energy: 1.2566548005197042
Energy: 1.3744141936019327
Energy: 1.2566548005148255
Energy: 1.1879416156779234
Energy: 1.25765584683519
Energy: 1.2174522639110013
Energy: 1.257655846840041
Energy: 1.276400694565977
Energy: 1.270704306763273
Energy: 1.215494272806041
Energy: 1.2707043067620534
Energy: 1.316504113638688
Energy: 1.254204082441513
Energy: 1.390426193659822
Energy: 1.2542040824439524
Energy: 1.3183727112080141
Energy: 1.2690199203879096
Energy: 1.4414103400281708
Energy: 1.2690199203854702
Energy: 1.4902299841847981
Energy: 1.2252461015878453
Energy: 1.324262712025588
Energy: 1.2252461016329452
Energy: 1.4933772975946555
Energy: 1.2235293227542539
Energy: 1.3258190061598785
Energy: 1.2235293199819397
Energy: 1.2370081057851712
Energy: 1.2707604375823773
Energy: 1.2568885127782514
Energy: 1.2707604375823773
Energy: 1.2364145987151454
Energy: 1.2847943360257732
Energy: 1.2115013512546735
Energy: 1.2847943360257732
Energy: 1.387472822660579
Energy: 1.286970531164141
Energy: 1.2085017884670124
Energy: 1.2869705311629214
Energy: 1.210142144415277
Energy: 1.2592328422741872
Energy: 1.2117599305592937
Energy: 1.2592328422778463
Energy: 1.2246360696379721
Energy: 1.3483440565243914
Energy: 1.4545787844507514
Energy: 1.348344056525611
Energy: 1.4956006282476744
Energy: 1.3206621972682795
Energy: 1.322495088035392
Energy: 1.3206621972707189
Energy: 1.4791790927524342
Energy: 1.2547775226617663
Energy: 1.465907078757186
Energy: 1.2547775226434714
Energy: 1.2385597705521714
Energy: 1.277605102624395
Energy: 1.438423750063579
Energy: 1.277605102621956
Energy: 1.3106350275978569
Energy: 1.2313307969101175
Energy: 1.2707988999567745
Energy: 1.231330796907678
Energy: 1.2273475255274606
Energy: 1.2759434464381565
Energy: 1.2154277552646462
Energy: 1.275943446433278
Energy: 1.2364710696499117
Energy: 1.2485742164487503
Energy: 1.2474773522756801
Energy: 1.2485742164499698
Energy: 1.3637592569941022
Energy: 1.2581200831542987
Energy: 1.2335884921245148
Energy: 1.25812008314942
Energy: 1.239630514224649
Energy: 1.2799133074336844
Energy: 1.2320921538698528
Energy: 1.2799133074349038
Energy: 1.4432977234442999
Energy: 1.2295849016525309
Energy: 1.6159739420437214
Energy: 1.2295849016525309
Energy: 1.4379864812041403
Energy: 1.2299010265747023
Energy: 1.5974040638924065
Energy: 1.2299010265771415
Energy: 1.3815032389926283
Energy: 1.257584463948253
Energy: 1.23023982582392
Energy: 1.257584463948253
Energy: 1.240816204218501
Energy: 1.2570299022816975
Energy: 1.2317291681223639
Energy: 1.2570299022829172
Energy: 1.2540856850764153
Energy: 1.2541143222356048
Energy: 1.4135931495543244
Energy: 1.2541143222331654
Energy: 1.228285416787454
Energy: 1.2799744553436072
Energy: 1.2133436786293694
Energy: 1.2799744553423875
Energy: 1.4604278677413856
Energy: 1.3471546338535032
Energy: 1.2971149156080193
Energy: 1.3471546345240455
Energy: 1.2744118537523506
Energy: 1.2763604165148892
Energy: 1.3451190282460856
Energy: 1.2763604165136697
Energy: 1.3411478481718728
Energy: 1.2106124812900418
Energy: 1.524695560643675
Energy: 1.2106124812864107
Energy: 1.6534339665279822
Energy: 1.3208256628156174
Energy: 1.3270078370455245
Energy: 1.3208256628204684

minimum gb energy = 1.1879416156779234 eV
minimum distance =  2.23023265268531 Angstroms
sigma value = 1


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

Energy: 1.2211128341635642
Energy: 1.2105049772991887
Energy: 1.9805953512662837
Energy: 1.2105049772991887
Energy: 1.1864125376367385
Energy: 1.2306319312004372
Energy: 1.2200567132361906
Energy: 1.2306319312004372
Energy: 1.3127862183339993
Energy: 1.2201433213481645
Energy: 1.2451901005912822
Energy: 1.2201433213481645
Energy: 1.2098626625448459
Energy: 1.2194208343059043
Energy: 1.2215046308277213
Energy: 1.2194208343059043
Energy: 1.1605075470202537
Energy: 1.2098989707939287
Energy: 1.1625182446119335
Energy: 1.209898970792242
Energy: 1.1620034348237023
Energy: 1.161315339047516
Energy: 1.161451299349737
Energy: 1.1613153390492026
Energy: 1.2222736717399427
Energy: 1.2196788446803668
Energy: 1.3127137160682538
Energy: 1.2196788446803668
Energy: 1.2219569637169756
Energy: 1.2182355133576157
Energy: 1.312970826074815
Energy: 1.2182355133576157
Energy: 1.3649302077365433
Energy: 1.209350216467128
Energy: 1.2105825711123237
Energy: 1.2093502164654415
Energy: 1.364930207734857
Energy: 1.209611930403009
Energy: 1.2105783905238015
Energy: 1.209611930403009
Energy: 1.221917316325083
Energy: 1.2182940332020726
Energy: 1.3129708260731285
Energy: 1.2182940332020726
Energy: 1.2222374452748643
Energy: 1.219706968992123
Energy: 1.3127137160682538
Energy: 1.219706968992123
Energy: 1.161136661245734
Energy: 1.1612681603021306
Energy: 1.1614608764297722
Energy: 1.161268160300444
Energy: 1.1605086318066797
Energy: 1.2099961524577814
Energy: 1.1624592845667565
Energy: 1.2099961524577814
Energy: 1.2097990260149305
Energy: 1.219418692391138
Energy: 1.2213976001851101
Energy: 1.219418692391138
Energy: 1.3127862183339993
Energy: 1.220098377905888
Energy: 1.2448276407018877
Energy: 1.220098377905888
Energy: 1.1864562458247543
Energy: 1.230651498108692
Energy: 1.2201167249009723
Energy: 1.230651498108692
Energy: 1.2211128341635642
Energy: 1.210504977297541
Energy: 1.9805953512578516
Energy: 1.210504977297541
Energy: 1.1864125376367385
Energy: 1.2306319312004372
Energy: 1.2200567132361906
Energy: 1.2306319312004372
Energy: 1.312786218332313
Energy: 1.2201433213481645
Energy: 1.2451901005845365
Energy: 1.2201433213481645
Energy: 1.2098626625465325
Energy: 1.2194208343059043
Energy: 1.2215046308277213
Energy: 1.2194208343059043
Energy: 1.1605075470202537
Energy: 1.209898970792242
Energy: 1.162518244610247
Energy: 1.209898970792242
Energy: 1.1620034348237023
Energy: 1.1613153390492026
Energy: 1.161451299349737
Energy: 1.161315339047516
Energy: 1.2222736717399427
Energy: 1.2196788446786804
Energy: 1.3127137160699403
Energy: 1.2196788446786804

minimum gb energy = 1.1605075470202537 eV
minimum distance =  2.23397129952235 Angstroms
sigma value = 17


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

Energy: 1.3951549320574677
Energy: 1.2318466947279245
Energy: 1.883820648175513
Energy: 1.2318466947279245
Energy: 1.4694967265026309
Energy: 1.2774765972069515
Energy: 1.3894987230086295
Energy: 1.27747659720174
Energy: 1.1999603244443657
Energy: 1.223324424875501
Energy: 1.2214662941579522
Energy: 1.223324424872374
Energy: 1.2364520887672825
Energy: 1.2018223473714313
Energy: 1.3786619731889638
Energy: 1.201822347370389
Energy: 1.2124255876113044
Energy: 1.2165211516211034
Energy: 1.212057659713115
Energy: 1.2165211516252725
Energy: 1.2231699643981844
Energy: 1.2193744920823473
Energy: 1.2092611358536216
Energy: 1.2193744920771357
Energy: 1.2156934318118462
Energy: 1.2195831574723308
Energy: 1.1799570842682818
Energy: 1.2195831574796272
Energy: 1.2156905045344593
Energy: 1.2192814720724843
Energy: 1.2137406115960938
Energy: 1.2192814720735266
Energy: 1.4533389724020824
Energy: 1.2083461585411865
Energy: 1.3673887437349495
Energy: 1.2083461585411865
Energy: 1.5011644903735548
Energy: 1.2087469424702544
Energy: 1.3646544002076244
Energy: 1.2087469424681698
Energy: 1.263760529168313
Energy: 1.204081737125178
Energy: 1.4781111850075808
Energy: 1.204081737125178
Energy: 1.2619085409076027
Energy: 1.2035952001517973
Energy: 1.3846880299058197
Energy: 1.2035952001549246
Energy: 1.2263787841556093
Energy: 1.223285717765731
Energy: 1.217208880950737
Energy: 1.2232857177646885
Energy: 1.1880216195595492
Energy: 1.2171290316756918
Energy: 1.2171520374587081
Energy: 1.217129031679861
Energy: 1.1926566150371871
Energy: 1.2340002798387317
Energy: 1.2206236254772747
Energy: 1.2340002798418588
Energy: 1.1987945238515836
Energy: 1.21794898957396
Energy: 1.1928086599870258
Energy: 1.2179489895760447
Energy: 1.3591120543450403
Energy: 1.1878772273860017
Energy: 1.2547534753913507
Energy: 1.1878772273870442
Energy: 1.2587536720809485
Energy: 1.2275864230219462
Energy: 1.3934084026123976
Energy: 1.2275864230198614
Energy: 1.2990865666285585
Energy: 1.1945530382942122
Energy: 1.3694081283527704
Energy: 1.1945530382952545
Energy: 1.590463792715164
Energy: 1.21042452137267
Energy: 1.2703653724362738
Energy: 1.2104245213768392
Energy: 1.3062970992772729
Energy: 1.29319255521589
Energy: 1.434081442650199
Energy: 1.2931925552169325
Energy: 1.2092257996483853
Energy: 1.2156930215792503
Energy: 1.1797485154809841
Energy: 1.2156930215792503
Energy: 1.3229341523657523
Energy: 1.2193908639812763
Energy: 1.2589784545393206
Energy: 1.2193908639791917
Energy: 1.202408980092719
Energy: 1.2185505178828753
Energy: 1.1748679819477352
Energy: 1.2185505178797482
Energy: 1.2202267931599853
Energy: 1.2379940276008619
Energy: 1.2433568194613625
Energy: 1.2379940276029466
Energy: 1.2010797346841522
Energy: 1.2167293911589596
Energy: 1.2205603234408282
Energy: 1.2167293911600021
Energy: 1.2029931285495508
Energy: 1.2170553676531302
Energy: 1.257603347655685
Energy: 1.2170553676572993
Energy: 1.3805352396738055
Energy: 1.1862999357356894
Energy: 1.582542131117364
Energy: 1.1862999357366844
Energy: 1.372307319849783
Energy: 1.186061281674427
Energy: 1.5830285484470528
Energy: 1.1860612816765117
Energy: 1.2002585024048613
Energy: 1.2166763025744296
Energy: 1.2207439826572115
Energy: 1.2166763025733869
Energy: 1.2021262513820783
Energy: 1.217241805374719
Energy: 1.2580635919469012
Energy: 1.2172418053757612
Energy: 1.1977141048800615
Energy: 1.2321381646584753
Energy: 1.211201291792184
Energy: 1.2321381646584753
Energy: 1.2058060247435243
Energy: 1.219070805534144
Energy: 1.174689170210233
Energy: 1.2190708055289323
Energy: 1.2664122708259715
Energy: 1.2219391424883868
Energy: 1.189784400863487
Energy: 1.221939142486302
Energy: 1.2154970878097935
Energy: 1.2159678480845002
Energy: 1.2178330689297714
Energy: 1.215967848086585
Energy: 1.3231475249892997
Energy: 1.1835634107403288
Energy: 1.3817879449393917
Energy: 1.1835634107392863
Energy: 1.6076829496997467
Energy: 1.2100003894504985
Energy: 1.2701721509625021
Energy: 1.2100003894452869
Energy: 1.3795031239284925
Energy: 1.194289379599153
Energy: 1.4552384303153898
Energy: 1.194289379599153

minimum gb energy = 1.174689170210233 eV
minimum distance =  2.23191967899828 Angstroms
sigma value = 89


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

Energy: 1.2919393956907264
Energy: 1.1520525034986555
Energy: 1.8068786227001237
Energy: 1.1520525034991824
Energy: 1.2500540068850166
Energy: 1.3393175782225564
Energy: 1.272145622031543
Energy: 1.339317578223083
Energy: 1.2457056006256766
Energy: 1.1419877988886422
Energy: 1.1490376016850772
Energy: 1.141987798888921
Energy: 1.1649645798616513
Energy: 1.157720583284133
Energy: 1.318272275501487
Energy: 1.157720583283854
Energy: 1.1670973211952433
Energy: 1.1562737051124456
Energy: 1.1377498604465748
Energy: 1.1562737051127243
Energy: 1.159692635242443
Energy: 1.2840577151972128
Energy: 1.2219727008892338
Energy: 1.2840577151961279
Energy: 1.1589092502859621
Energy: 1.1423452174665163
Energy: 1.137656149269547
Energy: 1.1423452174659587
Energy: 1.1603027897844487
Energy: 1.1648974587282452
Energy: 1.2659024676699036
Energy: 1.1648974587266028
Energy: 1.2450022472589506
Energy: 1.1565175666359384
Energy: 1.139450295222939
Energy: 1.1565175666364964
Energy: 1.1585858717979836
Energy: 1.1567125375958067
Energy: 1.1395418329553753
Energy: 1.1567125375944431
Energy: 1.2494846535192146
Energy: 1.1423101681683183
Energy: 1.2761339303527126
Energy: 1.1423101681680394
Energy: 1.2480787024338738
Energy: 1.1426764982132283
Energy: 1.2760401090759235
Energy: 1.1426764982135071
Energy: 1.2461368662503258
Energy: 1.1567783825885778
Energy: 1.1398174445734897
Energy: 1.15677838258802
Energy: 1.2450115496247869
Energy: 1.1563721108826903
Energy: 1.139181918915133
Energy: 1.156372110883775
Energy: 1.158422008811603
Energy: 1.1571966858690643
Energy: 1.2642065452170077
Energy: 1.1571966858687854

minimum gb energy = 1.137656149269547 eV
minimum distance =  2.23552078800975 Angstroms
sigma value = 13


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

Energy: 1.2094374202720672
Energy: 1.110434029878303
Energy: 1.7176444757321765
Energy: 1.110434029868015
Energy: 1.186906933544095
Energy: 1.2539201525553425
Energy: 1.1581945306179362
Energy: 1.2539201525553425
Energy: 1.1615905126899781
Energy: 1.0821733134139049
Energy: 1.1632032172281865
Energy: 1.0821733134139049
Energy: 1.1433012090151158
Energy: 1.1544591363198855
Energy: 1.1600991361566988
Energy: 1.1544591363210286
Energy: 1.113429207938593
Energy: 1.0907152297925915
Energy: 1.117372598375241
Energy: 1.0907152297914484
Energy: 1.2163605873455445
Energy: 1.0899691737791857
Energy: 1.1472895612230425
Energy: 1.0899691737803288
Energy: 1.1135437908347872
Energy: 1.0821992359826627
Energy: 1.1189196966764445
Energy: 1.0821992359826627
Energy: 1.120263364817441
Energy: 1.1122518263476158
Energy: 1.1141279518450213
Energy: 1.1122518263476158
Energy: 1.112638639050617
Energy: 1.0902028674174313
Energy: 1.1041899349667417
Energy: 1.0902028674185744
Energy: 1.2866803865946965
Energy: 1.0906494452776208
Energy: 1.157377167032642
Energy: 1.0906494452776208
Energy: 1.1593100034213557
Energy: 1.0812563304899685
Energy: 1.1624821116558535
Energy: 1.0812563304911118
Energy: 1.1435849773725852
Energy: 1.084710071211649
Energy: 1.111761387999149
Energy: 1.084710071209363
Energy: 1.1715608683439274
Energy: 1.1047465605627864
Energy: 1.1900876434995897
Energy: 1.1047465605627864
Energy: 1.1934213594475096
Energy: 1.1073941325261234
Energy: 1.284065100011476
Energy: 1.1073941325249803
Energy: 1.1590270104706397
Energy: 1.080974926055539
Energy: 1.1614696717763293
Energy: 1.080974926055539
Energy: 1.143595978624257
Energy: 1.0812985430506403
Energy: 1.1673158572446058
Energy: 1.0812985430494972
Energy: 1.1721420360160772
Energy: 1.089985211186405
Energy: 1.104571790445539
Energy: 1.089985211186405
Energy: 1.1174580968709302
Energy: 1.090349584983581
Energy: 1.1681651876203487
Energy: 1.090349584983581
Energy: 1.1136748158300798
Energy: 1.0803723117679547
Energy: 1.1197415017866894
Energy: 1.0803723117690978
Energy: 1.1197361175703575
Energy: 1.0804469599323079
Energy: 1.1132702054058345
Energy: 1.0804469599323079
Energy: 1.1683456550502782
Energy: 1.0903583069288107
Energy: 1.1188859918776244
Energy: 1.090358306931097
Energy: 1.1045126740025943
Energy: 1.0899799376323356
Energy: 1.1721420360115047
Energy: 1.0899799376334787
Energy: 1.167315857243463
Energy: 1.0801779208025697
Energy: 1.1436915365746598
Energy: 1.0801779208014266
Energy: 1.1614696717763293
Energy: 1.0810115699822247
Energy: 1.159020498931357
Energy: 1.0810115699822247
Energy: 1.2841764423067956
Energy: 1.107465740951721
Energy: 1.193412619431081
Energy: 1.107465740952864
Energy: 1.190019647141329
Energy: 1.1047528671303013
Energy: 1.1715608683439274
Energy: 1.1047528671303013
Energy: 1.1125853525169187
Energy: 1.084815772174438
Energy: 1.143507452307086
Energy: 1.0848157721732947
Energy: 1.1624821116547104
Energy: 1.081260383250253
Energy: 1.1588625779776927
Energy: 1.081260383250253
Energy: 1.1574074554248328
Energy: 1.0904544072799065
Energy: 1.286533228618932
Energy: 1.0904544072810496
Energy: 1.1041718968351182
Energy: 1.0902430989668033
Energy: 1.1125892862443394
Energy: 1.0902430989656602
Energy: 1.1143276877581734
Energy: 1.1123686984117143
Energy: 1.1201530069514212
Energy: 1.1123686984117143
Energy: 1.1190457073077076
Energy: 1.0821998466086424
Energy: 1.1134019775428374
Energy: 1.0821998466086424
Energy: 1.1472313877905076
Energy: 1.0899675039823837
Energy: 1.2163361488693252
Energy: 1.0899675039800976
Energy: 1.117231347517052
Energy: 1.0907861824941514
Energy: 1.1134230025143919
Energy: 1.0907861824930083
Energy: 1.160123714805994
Energy: 1.1547604203376955
Energy: 1.1441215703206162
Energy: 1.1547604203399817

minimum gb energy = 1.0801779208014266 eV
minimum distance =  2.25619469011699 Angstroms
sigma value = 37


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

Energy: 1.222408007690747
Energy: 1.0567654193040783
Energy: 1.6326813774602724
Energy: 1.0567654193040783
Energy: 1.2361242655808964
Energy: 1.3045168565529832
Energy: 1.1624547435916952
Energy: 1.3045168565516196
Energy: 1.140277251974715
Energy: 1.0154578840622719
Energy: 1.1832366718698601
Energy: 1.0154578840620707
Energy: 1.1813697316728058
Energy: 1.0400410542854517
Energy: 1.1624025228933705
Energy: 1.0400410542860552
Energy: 1.092670354956194
Energy: 1.015092166358473
Energy: 1.1341724502930812
Energy: 1.0150921663594563
Energy: 1.1818760405056854
Energy: 1.028929604442332
Energy: 1.1027511425406658
Energy: 1.0289296044437177
Energy: 1.0698209521303537
Energy: 1.0156463551487547
Energy: 1.1118270340302834
Energy: 1.015646355149157
Energy: 1.122834053479422
Energy: 1.3783833597398105
Energy: 1.1397461344169553
Energy: 1.3783833597400115
Energy: 1.0689754258892066
Energy: 1.0141265442130827
Energy: 1.0963679537157012
Energy: 1.0141265442148706
Energy: 1.1816340256050173
Energy: 1.0294493067007986
Energy: 1.0924925419305562
Energy: 1.0294493067011783
Energy: 1.0801819906285233
Energy: 1.013895935205612
Energy: 1.133204078311604
Energy: 1.0138959352054109
Energy: 1.0817692730769695
Energy: 1.0295164464888948
Energy: 1.2462113952552165
Energy: 1.0295164464883138
Energy: 1.1406727805938235
Energy: 1.0139240829051306
Energy: 1.1399910825926305
Energy: 1.0139240829070972
Energy: 1.072932528022696
Energy: 1.0138830165221095
Energy: 1.1393015333885612
Energy: 1.0138830165215282
Energy: 1.1829546012228374
Energy: 1.0546571740185333
Energy: 1.1329183128389517
Energy: 1.0546571740195165
Energy: 1.1624712438984817
Energy: 1.055991320386956
Energy: 1.1316205364798686
Energy: 1.0559913203881404
Energy: 1.1402858383851147
Energy: 1.0137060065892918
Energy: 1.1394474429307617
Energy: 1.0137060065914596
Energy: 1.1390306456992363
Energy: 1.0142457038450787
Energy: 1.1393577869404783
Energy: 1.0142457038460622
Energy: 1.0792349137705546
Energy: 1.0135684883388354
Energy: 1.1329807361101467
Energy: 1.013568488337651
Energy: 1.082043047794804
Energy: 1.0301619297640674
Energy: 1.1406253847537386
Energy: 1.0301619297630842

minimum gb energy = 1.013568488337651 eV
minimum distance =  2.24941370218038 Angstroms
sigma value = 25


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

Energy: 1.1492253353467485
Energy: 0.9568774870209257
Energy: 1.4171814336064972
Energy: 0.9568774870209257
Energy: 1.0679248400843153
Energy: 1.2138223777036266
Energy: 1.0225053164522937
Energy: 1.2138223777036266
Energy: 1.038371790020702
Energy: 0.9385111696818059
Energy: 1.106862923070544
Energy: 0.9385111696833417
Energy: 1.0533208566128747
Energy: 0.9865751418903603
Energy: 1.1085501552238717
Energy: 0.9865751418903603
Energy: 1.0430380742009546
Energy: 0.9178919803423838
Energy: 1.0186097337925168
Energy: 0.9178919803423838
Energy: 1.0534824817391364
Energy: 0.9635485222976516
Energy: 1.0586951402111933
Energy: 0.9635485222976516
Energy: 0.9913512606056578
Energy: 0.9199767388080342
Energy: 1.0238600179739026
Energy: 0.9199767388095699
Energy: 1.0317583659183023
Energy: 0.9238509395421106
Energy: 1.079928538583145
Energy: 0.9238509395421106
Energy: 0.983210609360817
Energy: 0.917468715472097
Energy: 0.9953380869478946
Energy: 0.917468715472097
Energy: 1.0485595476554879
Energy: 1.2887977590057402
Energy: 1.0191390159479017
Energy: 1.2887977590057402
Energy: 0.9836888307987083
Energy: 0.9173247833293411
Energy: 0.996408092420762
Energy: 0.9173247833308767
Energy: 1.0307419570333178
Energy: 0.9267415147050493
Energy: 1.0799395019137996
Energy: 0.926741514701978
Energy: 0.9851828356720524
Energy: 0.9175468871010778
Energy: 1.0179211739258835
Energy: 0.917546887099542
Energy: 1.0279304824369337
Energy: 1.0241709561618069
Energy: 1.0185177513525954
Energy: 1.0241709561633425
Energy: 1.0318396447558074
Energy: 0.9175200327074384
Energy: 1.0214554031335357
Energy: 0.9175200327089741
Energy: 1.0457766980754961
Energy: 0.9170872159524326
Energy: 0.9959844164204856
Energy: 0.9170872159524326
Energy: 1.035679578154333
Energy: 0.9386695229204027
Energy: 1.0814581872975855
Energy: 0.9386695229188668
Energy: 0.9901040849559157
Energy: 0.969133626803233
Energy: 1.059226008204743
Energy: 0.9691336268047688
Energy: 1.1222433615237173
Energy: 0.9558977618666309
Energy: 1.0223598468906794
Energy: 0.9558977618650951
Energy: 1.0678467125181605
Energy: 0.9558685442621025
Energy: 1.026420987886059
Energy: 0.9558685442621025
Energy: 1.0357030474938016
Energy: 0.9388527103825673
Energy: 1.0814620549568676
Energy: 0.9388527103856388
Energy: 1.0301626582536056
Energy: 0.9386132136799605
Energy: 1.059008679329237
Energy: 0.9386132136784249
Energy: 1.0322033307082152
Energy: 0.9181339942925161
Energy: 1.0183194990139786
Energy: 0.9181339942925161
Energy: 1.0675325700146496
Energy: 0.9188534847476948
Energy: 1.0409342032580713
Energy: 0.918853484746159
Energy: 0.9867753552981126
Energy: 0.9182290162019655
Energy: 1.0179397136940858
Energy: 0.9182290162004298
Energy: 1.0363150054993409
Energy: 0.9239918855232822
Energy: 1.0182785693402994
Energy: 0.9239918855232822

minimum gb energy = 0.9170872159524326 eV
minimum distance =  2.25543892813077 Angstroms
sigma value = 41


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

Energy: 1.1166755260972518
Energy: 0.8896271884262654
Energy: 1.2634716401970278
Energy: 0.8896271884275244
Energy: 0.9487374969792299
Energy: 1.0451750918250011
Energy: 0.9789563294370811
Energy: 1.0451750918212241
Energy: 0.9572789049317169
Energy: 0.8624214987656179
Energy: 1.0506538287460014
Energy: 0.8624214987618409
Energy: 0.9731729280759872
Energy: 0.9203616945575009
Energy: 0.9780896311529491
Energy: 0.9203616945562418
Energy: 1.0246925716553033
Energy: 0.8518149597703214
Energy: 0.9362468486385058
Energy: 0.8518149597740697
Energy: 0.9736468607044444
Energy: 0.9125382352485197
Energy: 0.9726167164881372
Energy: 0.9125382352485197
Energy: 0.9354795902190384
Energy: 0.8403229098249375
Energy: 0.9711556609479344
Energy: 0.8403229098274555
Energy: 0.975076111888239
Energy: 0.9150291021737105
Energy: 0.9722973613320923
Energy: 0.9150291021787468
Energy: 0.9642197131487277
Energy: 0.8403964448234549
Energy: 0.9177939201174784
Energy: 0.8403964448196779
Energy: 1.0014918979136709
Energy: 0.9574624354866613
Energy: 0.9728756148507016
Energy: 0.9574624354879203
Energy: 0.9345875461137434
Energy: 0.8403106281341294
Energy: 0.9273605028718838
Energy: 0.8403106281379065
Energy: 0.9504922323589571
Energy: 1.2271728618758546
Energy: 0.9848512470439662
Energy: 1.2271728618771138
Energy: 0.9351142835104234
Energy: 0.8404336250118732
Energy: 0.9266181683081012
Energy: 0.8404336250118732
Energy: 1.0036891575443676
Energy: 0.8476520362385674
Energy: 0.9677927062771283
Energy: 0.8476520362385674
Energy: 0.9620351855148246
Energy: 0.8404715754262545
Energy: 0.9168060981349206
Energy: 0.8404715754212182
Energy: 0.9579316578395027
Energy: 0.9459801954612851
Energy: 1.0279895141693833
Energy: 0.9459801954751343
Energy: 0.9403806121544741
Energy: 0.8404366383058199
Energy: 0.968028066339548
Energy: 0.8404366383095969
Energy: 0.9765509691157493
Energy: 0.8407284826884523
Energy: 0.9790420559360107
Energy: 0.8407284826846753
Energy: 1.0070854367294655
Energy: 0.8517724444197574
Energy: 0.9380400106489001
Energy: 0.8517724444197574
Energy: 0.9837762317470728
Energy: 0.9141533125468757
Energy: 0.9421681838331158
Energy: 0.9141533125456167
Energy: 0.954972050208995
Energy: 0.8613226508075488
Energy: 1.0285594985311193
Energy: 0.861322650808808
Energy: 0.9483863398591265
Energy: 0.9293288187301574
Energy: 0.9780788517837441
Energy: 0.9293288187301574
Energy: 1.0854366909960864
Energy: 0.8891778565068316
Energy: 0.939854602431191
Energy: 0.8891778565043137
Energy: 1.0040859977639929
Energy: 0.9258063673801101
Energy: 0.9502338078684293
Energy: 0.9258063673813691
Energy: 0.9548996455669376
Energy: 0.861402621861457
Energy: 1.0284867376761389
Energy: 0.861402621861457
Energy: 0.9764321848209815
Energy: 0.903101612462266
Energy: 0.9781914015867995
Energy: 0.9031016124597478
Energy: 1.0070254833176773
Energy: 0.8518876536672574
Energy: 0.9400231931898572
Energy: 0.8518876536659983
Energy: 0.9847385156060428
Energy: 0.8508989554153985
Energy: 0.978436906699957
Energy: 0.8508989554191757
Energy: 0.9375524703960226
Energy: 0.8405646945161412
Energy: 0.967562394205349
Energy: 0.8405646945161412
Energy: 0.9739509820398835
Energy: 0.8400502579616024
Energy: 0.9754971527542295
Energy: 0.8400502579603434
Energy: 0.962753516454384
Energy: 0.840428928292793
Energy: 0.9194578383763233
Energy: 0.840428928289016
Energy: 0.9583773313772137
Energy: 0.8444989985321648
Energy: 0.9622971811628589
Energy: 0.8444989985321648

minimum gb energy = 0.8400502579603434 eV
minimum distance =  2.2555230479477 Angstroms
sigma value = 15


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

Energy: 1.0502302161170367
Energy: 0.8250600349910028
Energy: 1.1449446406241328
Energy: 0.8250600349931361
Energy: 0.9215348561751899
Energy: 0.9666848579446923
Energy: 0.9000657810207434
Energy: 0.9666848579446923
Energy: 0.8899066671962387
Energy: 0.8118641197555104
Energy: 0.995564455435183
Energy: 0.8118641197512442
Energy: 0.9158704788603067
Energy: 0.8530751364521115
Energy: 0.9057981039333202
Energy: 0.8530751364499783
Energy: 0.9739760497217091
Energy: 0.7940172789459816
Energy: 0.871431416536092
Energy: 0.7940172789491814
Energy: 0.9161981342439489
Energy: 0.8491970944503182
Energy: 0.907747460685374
Energy: 0.8491970944524513
Energy: 0.8656808730026451
Energy: 0.7863742100625541
Energy: 0.9391588823479862
Energy: 0.7863742100625541
Energy: 0.908567411005616
Energy: 0.8456079354848813
Energy: 0.9078718760898652
Energy: 0.8456079354870145
Energy: 0.9180290246354817
Energy: 0.7780559278543722
Energy: 0.8566957829974868
Energy: 0.7780559278543722
Energy: 0.9088038126909436
Energy: 0.8521479739454875
Energy: 0.9103313376562293
Energy: 0.8521479739422877
Energy: 0.864356852735142
Energy: 0.7777149536568662
Energy: 0.8942707342633578
Energy: 0.777714953654733
Energy: 0.9090159345844712
Energy: 0.900449549984401
Energy: 0.9374739590689273
Energy: 0.9004495500035994
Energy: 0.8823038860506918
Energy: 0.7793871506291244
Energy: 0.8685155068768216
Energy: 0.7793871506259247
Energy: 0.9216218525905239
Energy: 0.7922278883723219
Energy: 0.8964497541744972
Energy: 0.7922278883733885
Energy: 0.8813569317927711
Energy: 0.7781825704496014
Energy: 0.8674870747809389
Energy: 0.7781825704496014
Energy: 0.9108965484943387
Energy: 0.7971536868765612
Energy: 0.9430159798981939
Energy: 0.7971536868744282
Energy: 0.8651967416429672
Energy: 0.7783164497313516
Energy: 0.8929192170427411
Energy: 0.7783164497302849
Energy: 0.9503609695600463
Energy: 0.8820908306047606
Energy: 0.9056977028740625
Energy: 0.8820908305983611
Energy: 0.9177502908508475
Energy: 0.7781813516292616
Energy: 0.8587058222511285
Energy: 0.778181351626062
Energy: 0.912044970105691
Energy: 0.7915477902999936
Energy: 0.9052785717333993
Energy: 0.7915477903085262
Energy: 0.8686035289236653
Energy: 0.7848585811207126
Energy: 0.9218763725285396
Energy: 0.7848585811217791
Energy: 0.9059305833734036
Energy: 0.8445480358763229
Energy: 0.9262576922357605
Energy: 0.8445480358773894
Energy: 0.9602919565897636
Energy: 0.7942761515248246
Energy: 0.8723910704956578
Energy: 0.7942761515248246
Energy: 0.9102998501764515
Energy: 0.8515394598064491
Energy: 0.8871358094929341
Energy: 0.8515394598064491
Energy: 0.8886721461658772
Energy: 0.8109775831921657
Energy: 0.9742736184568258
Energy: 0.8109775831910992
Energy: 0.8826970173366883
Energy: 0.861032607017119
Energy: 0.9274245855534473
Energy: 0.8610326070160523
Energy: 1.024472506763425
Energy: 0.8234280870425803
Energy: 0.874522875285921
Energy: 0.8234280870425803
Energy: 0.921328313354566
Energy: 0.8658208457184199
Energy: 0.882605271462291
Energy: 0.8658208457216195
Energy: 0.8947951382323674
Energy: 0.810114442583469
Energy: 0.9750758425711603
Energy: 0.8101144425845355
Energy: 0.9048315775092822
Energy: 0.8519623978106469
Energy: 0.9274871264855571
Energy: 0.8519623978159797
Energy: 0.9609031162142234
Energy: 0.7940801112652424
Energy: 0.8739573938570708
Energy: 0.7940801112652424
Energy: 0.9103136180768858
Energy: 0.8472220029570062
Energy: 0.9053850154990112
Energy: 0.8472220029612725
Energy: 0.8670578862502732
Energy: 0.7849099641503874
Energy: 0.9218628505962542
Energy: 0.7849099641556717
Energy: 0.9064982328907428
Energy: 0.7856144347470913
Energy: 0.9193876436875252
Energy: 0.7856144347534908
Energy: 0.9172162836424419
Energy: 0.7777484620232064
Energy: 0.8749340116192764
Energy: 0.7777484620232064
Energy: 0.9121734226186055
Energy: 0.7887899549662017
Energy: 0.9090647230927863
Energy: 0.788789954963002
Energy: 0.863695203053689
Energy: 0.7777709294049845
Energy: 0.8928043808971305
Energy: 0.7777709294092509

minimum gb energy = 0.777714953654733 eV
minimum distance =  2.26122939963846 Angstroms
sigma value = 85


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

Energy: 1.0448691434545219
Energy: 0.785987070379012
Energy: 1.034623584410811
Energy: 0.785987070380862
Energy: 0.8111035292220811
Energy: 0.9153005981965794
Energy: 0.84614797793197
Energy: 0.9153005981947293
Energy: 0.7942378444010678
Energy: 0.780515055594978
Energy: 1.0043997526394393
Energy: 0.7805150555977531
Energy: 0.8332984166558269
Energy: 0.7668644247816296
Energy: 0.8558216701486892
Energy: 0.7668644247797797
Energy: 0.9581006795250676
Energy: 0.7435382709540789
Energy: 0.7859989489018573
Energy: 0.7435382709531538
Energy: 0.8331292725931049
Energy: 0.7635239263985348
Energy: 0.8444749382676796
Energy: 0.7635239263976098
Energy: 0.7892786490423983
Energy: 0.7426720858739061
Energy: 0.9259362718396392
Energy: 0.7426720858739061
Energy: 0.8343039380678028
Energy: 0.8126168249554284
Energy: 0.8446501846434294
Energy: 0.8126168249554284
Energy: 0.8912992327982951
Energy: 0.7204665553538646
Energy: 0.8045728209196336
Energy: 0.7204665553557147
Energy: 0.8343333310222205
Energy: 0.7776944756573931
Energy: 0.8484423501800331
Energy: 0.7776944756592434
Energy: 0.7793707544397598
Energy: 0.7201426223662762
Energy: 0.8658527639961191
Energy: 0.7201426223653514
Energy: 0.8492364767417521
Energy: 0.7926415669186216
Energy: 0.8486218667595999
Energy: 0.7926415669176965
Energy: 0.8355334219949234
Energy: 0.7194890825290386
Energy: 0.8021730793285438
Energy: 0.7194890825281135
Energy: 0.876336674428047
Energy: 0.7331455623695134
Energy: 0.8486078879958461
Energy: 0.7331455623732136
Energy: 0.7935754560399658
Energy: 0.720362202659923
Energy: 0.8244513081004744
Energy: 0.7203622026589981
Energy: 0.8391274636813614
Energy: 0.7313634371414393
Energy: 0.857274741143112
Energy: 0.7313634371414393
Energy: 0.7977603306730902
Energy: 0.7203654999254584
Energy: 0.8203342864155524
Energy: 0.7203654999291585
Energy: 0.8778159984625671
Energy: 0.9152048319021606
Energy: 0.8477948191555899
Energy: 0.9152048318993855
Energy: 0.8279752345925845
Energy: 0.720075056428532
Energy: 0.8028742102877974
Energy: 0.7200750564248318
Energy: 0.8515597480430801
Energy: 0.8278544770514
Energy: 0.8781978277288531
Energy: 0.8278544770514
Energy: 0.7765787456250027
Energy: 0.72015225203976
Energy: 0.8575133915081866
Energy: 0.7201522520379098
Energy: 0.8343765284386203
Energy: 0.7139744751768313
Energy: 0.8469227066290662
Energy: 0.7139744751786814
Energy: 0.8696311579808206
Energy: 0.7189021543012789
Energy: 0.806136371136782
Energy: 0.7189021543022038
Energy: 0.8574048209629541
Energy: 0.7760345823038748
Energy: 0.8232111463078086
Energy: 0.7760345823020247
Energy: 0.7908253284174384
Energy: 0.7420992670074068
Energy: 0.9057686859007116
Energy: 0.7420992670074068
Energy: 0.8332205173666899
Energy: 0.8206302287574604
Energy: 0.8444894428468822
Energy: 0.8206302287593105
Energy: 0.9227324181172096
Energy: 0.7430994722888427
Energy: 0.7867757952954274
Energy: 0.7430994722851425
Energy: 0.8669311524037165
Energy: 0.7772766383999449
Energy: 0.791993390957604
Energy: 0.777276638403645
Energy: 0.7935039910096606
Energy: 0.7809188256780925
Energy: 0.9626117830499225
Energy: 0.7809188256780925
Energy: 0.8111997777040623
Energy: 0.7693525807901419
Energy: 0.8464191625655361
Energy: 0.7693525807929169
Energy: 0.9616170018483827
Energy: 0.7862144535183625
Energy: 0.7882061142696563
Energy: 0.7862144535192874
Energy: 0.8796260192761136
Energy: 0.7896348822205669
Energy: 0.791857559437401
Energy: 0.7896348822196418
Energy: 0.7934040086799724
Energy: 0.7808082881193043
Energy: 0.9626144714739602
Energy: 0.7808082881230043
Energy: 0.8328893839172767
Energy: 0.7668344407820726
Energy: 0.8473073587140378
Energy: 0.766834440785773
Energy: 0.9226373652232683
Energy: 0.7437114541021408
Energy: 0.7880338521419292
Energy: 0.7437114541030657
Energy: 0.8668621988629507
Energy: 0.7761277163467553
Energy: 0.8231323765477915
Energy: 0.7761277163449051
Energy: 0.7903843126042509
Energy: 0.7420907692936427
Energy: 0.9056843826816883
Energy: 0.7420907692982678
Energy: 0.8342252470251673
Energy: 0.7105016609497266
Energy: 0.8445472486469053
Energy: 0.7105016609515766
Energy: 0.8695726574884103
Energy: 0.7190668748086101
Energy: 0.8036756809265766
Energy: 0.71906687480676
Energy: 0.8577239251458878
Energy: 0.7092705327174691
Energy: 0.8366425086543697
Energy: 0.7092705327156189
Energy: 0.7791529088807924
Energy: 0.7191989306999147
Energy: 0.8576017842353374
Energy: 0.7191989306989894
Energy: 0.8488889124017549
Energy: 0.7141147921165897
Energy: 0.8472709530106685
Energy: 0.7141147921147395
Energy: 0.8278447142080003
Energy: 0.7093945599704676
Energy: 0.8032580085694465
Energy: 0.7093945599686176

minimum gb energy = 0.7092705327156189 eV
minimum distance =  2.26512734319496 Angstroms
sigma value = 113


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

Energy: 0.013593409384780451
Energy: 0.013695494239322453
Energy: 1.3784122759609563
Energy: 0.013695494239322453
Energy: 0.014869419352893213
Energy: 0.6653015508090905
Energy: 0.014869419352893213
Energy: 0.6653015508090905
Energy: 1.3784122759630502
Energy: 0.013695494239322453
Energy: 0.013593409384780451
Energy: 0.013695494239322453
Energy: 0.014869419352893213
Energy: 0.6653015508090905
Energy: 0.014869419352893213
Energy: 0.6653015508083991
Energy: 0.013593409384780451
Energy: 0.013695494239322453
Energy: 1.3784122759609563
Energy: 0.013695494239322453
Energy: 0.014869419352893213
Energy: 0.6653015508090905
Energy: 0.014869419353584582
Energy: 0.6653015508090905

minimum gb energy = 0.013593409384780451 eV
minimum distance =  2.41010599843587 Angstroms
sigma value = 1