Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
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=3.662545010447502
cohesive_energy=13.753385086681691
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-6.881380686562679e-27, 1.305272475423558e-18, 1.431131460907428e-18, 1.6149139382402997e-18, 1.77040518057e-18, 1.88178850016568e-18, 1.95888523979376e-18, 2.01355150654584e-18, 2.0540545318533598e-18, 2.0853290197490396e-18, 2.11017877934238e-18, 2.1301739437347e-18, 2.1463238842054197e-18, 2.1593656020061798e-18, 2.16987588072522e-18, 2.17830332982006e-18, 2.18506451521554e-18, 2.1904478287057797e-18, 2.19469359678588e-18, 2.19796203711924e-18, 2.20039734560292e-18, 2.20206360930228e-18, 2.2030409370490197e-18, 2.20336137237582e-18, 2.2030249152826796e-18, 2.20190339163888e-18, 2.19988464908004e-18, 2.19685653524178e-18, 2.19270689775972e-18, 2.1873876713348397e-18, 2.1809308994998198e-18, 2.17340066932002e-18, 2.16489311139348e-18, 2.1554562910192198e-18, 2.1450261211318798e-18, 2.133298188171e-18, 2.11977581738004e-18, 2.1038021163390598e-18, 2.08222079707908e-18, 2.0432558613402e-18, 1.97944116600798e-18, 1.88153215190424e-18, 1.73677549302234e-18, 1.5278660795384458e-18, 1.233073589765616e-18, 8.242814259537839e-19, 2.5166990566872e-19, -5.841600094629359e-19, -1.84694115837618e-18, -3.7607892129882e-18, -6.66015213693996e-18, -1.11832730141517e-17, -1.85671443584358e-17, -3.17593065451284e-17]
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: 0.051672720550826674
Energy: -5.441960770380025
Energy: -4.1282115713654814
Energy: 0.05473387497350365
Energy: -5.441961919948488
Energy: -2.8173748544959665
Energy: 0.054733874979478236
Energy: -2.8167283899340654
Energy: -4.181295577350851
Energy: 0.054733874979478236
Energy: 0.05167272056277586
Energy: -5.441960157300832
Energy: 0.054733874979478236
Energy: -2.8234490295601917
Energy: -5.4419642872191165
Energy: -2.8355466910280533

minimum gb energy = -5.4419642872191165 eV
minimum distance =  2.37823998516062 Angstroms
sigma value = 1


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

Energy: 0.6542038558589952
Energy: 0.49912376488660215
Energy: 0.5667944731824154
Energy: 0.45640315139336296
Energy: 0.5057703747558955
Energy: 0.5318597149233673
Energy: 0.5581310805378251
Energy: 0.5318597149233673
Energy: 0.5633470309439292
Energy: 0.5041179267806069
Energy: 0.5985156364719685
Energy: 0.5041179267806069
Energy: 0.6016348500356397
Energy: 0.6392480233079959
Energy: 0.5441222642908013
Energy: 0.6392480233228172
Energy: 0.5815549674556691
Energy: 0.7341578081271263
Energy: 0.5687361479802348
Energy: 0.7341578081271263
Energy: 0.6511629460002015
Energy: 0.9900991329110106
Energy: 0.4542429373058548
Energy: 0.9900991329110106
Energy: 0.5932339715664
Energy: 1.088770467262891
Energy: 0.5204789436660023
Energy: 1.0887704672554805
Energy: 0.5156748465774852
Energy: 0.8849168161201674
Energy: 0.428710827492811
Energy: 0.8849168161053462
Energy: 0.5747369965414222
Energy: 1.2008046288558758
Energy: 0.5168156986652835
Energy: 1.2008046288558758
Energy: 0.5489117572124651
Energy: 1.0963654530359896
Energy: 0.40670860579794016
Energy: 1.0963654530211684
Energy: 0.462976987229976
Energy: 1.1644632617826665
Energy: 0.42830475229159415
Energy: 1.164463261790077
Energy: 0.4045590144321912
Energy: 1.1425012323750805
Energy: 0.5625199596450413
Energy: 1.1425012323750805
Energy: 0.5883919054538329
Energy: 1.0922335357856323
Energy: 0.6122018388382112
Energy: 1.0922335357856323
Energy: 0.5405338794179841
Energy: 0.8576439995605379
Energy: 0.5259930144781736
Energy: 0.8576439995383062
Energy: 0.6298612097285656
Energy: 0.748516099039518
Energy: 0.5762503579780647
Energy: 0.7485160990321075
Energy: 0.5502222274985197
Energy: 0.7202174526172932
Energy: 0.6285810303260009
Energy: 0.720217452602472
Energy: 0.5374096637376862
Energy: 0.4722766155064423
Energy: 0.5298199656734914
Energy: 0.4722766155064423
Energy: 0.5225001715364515
Energy: 0.5257059528523548
Energy: 0.6841225579783412
Energy: 0.5257059528894077
Energy: 0.6433499038685598
Energy: 0.48479560091031587
Energy: 0.5661647346202284
Energy: 0.48479560090290524
Energy: 0.4896520627117047
Energy: 0.3942396442959122
Energy: 0.5973220853624805
Energy: 0.39423964428850156
Energy: 0.5727124297476681
Energy: 0.7424718318969352
Energy: 0.6175636598828474
Energy: 0.7424718318969352
Energy: 0.5364981101501374
Energy: 0.7366576648111067
Energy: 0.6727342359403395
Energy: 0.7366576648259278
Energy: 0.5411474513478169
Energy: 1.0419075467638594
Energy: 0.588753431924844
Energy: 1.04190754677127
Energy: 0.47785816050549507
Energy: 1.0927366989530012
Energy: 0.6108607509800695
Energy: 1.0927366989530012
Energy: 0.5103543599421331
Energy: 1.198302164757838
Energy: 0.548035486069688
Energy: 1.198302164757838
Energy: 0.5093322911993908
Energy: 1.1389463002992661
Energy: 0.5033583097252773
Energy: 1.1389463002992661
Energy: 0.45478990565335414
Energy: 1.1714819914575128
Energy: 0.45513993557109195
Energy: 1.1714819914575128
Energy: 0.5609669066327743
Energy: 1.167937155080505
Energy: 0.4818779616876444
Energy: 1.1679371550879156
Energy: 0.7191555227545415
Energy: 1.1062590298689585
Energy: 0.568084449162371
Energy: 1.1062590298689585
Energy: 0.7245622917066837
Energy: 0.9877089677075955
Energy: 0.5655468768591482
Energy: 0.9877089677075955
Energy: 0.57939844906603
Energy: 0.751412762841208
Energy: 0.6312739650360517
Energy: 0.751412762841208
Energy: 0.6215390714988552
Energy: 0.7442100465164925
Energy: 0.5273078149160673
Energy: 0.7442100465387241
Energy: 0.51099063127301
Energy: 0.4718944212016991
Energy: 0.517329947440103
Energy: 0.471894421186878

minimum gb energy = 0.39423964428850156 eV
minimum distance =  2.29352893246281 Angstroms
sigma value = 1


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

Energy: 0.7750362409903919
Energy: 0.6109667948909598
Energy: 0.6369073799439839
Energy: 0.5471456287139161
Energy: 0.5455138343350622
Energy: 0.6185877828499625
Energy: 0.5987775339563293
Energy: 0.6185877828499625
Energy: 0.6187250259419366
Energy: 0.5859998807524647
Energy: 0.6230160514832851
Energy: 0.585999880760914
Energy: 0.5031471184288708
Energy: 0.7810904768283836
Energy: 0.6718576919782829
Energy: 0.7810904768452822
Energy: 0.60240051099241
Energy: 0.8499259620697955
Energy: 0.6413628054588685
Energy: 0.8499259620613462
Energy: 0.6454041445400519
Energy: 0.6508548201882555
Energy: 0.664192204581291
Energy: 0.650854820179806
Energy: 0.6789795822160778
Energy: 1.216610844281058
Energy: 0.6089413643496248
Energy: 1.216610844281058
Energy: 0.5350594005999643
Energy: 1.0207071974411606
Energy: 0.5861454671232433
Energy: 1.0207071974580593
Energy: 0.5201240694116983
Energy: 1.254348654976802
Energy: 0.5438130747609287
Energy: 1.254348654976802
Energy: 0.5460520294370632
Energy: 1.2716289825472558
Energy: 0.6698006804881625
Energy: 1.2716289825472558
Energy: 0.616843235345498
Energy: 1.2082965685019735
Energy: 0.6177832600784552
Energy: 1.2082965684935245
Energy: 0.6258656584664538
Energy: 1.0859902455192074
Energy: 0.6432366723232203
Energy: 1.0859902455276569
Energy: 0.6897902264215716
Energy: 0.8571190501111063
Energy: 0.8274591056654361
Energy: 0.8571190501111063
Energy: 0.7119715120325705
Energy: 0.8617760556057563
Energy: 0.6281153594334792
Energy: 0.8617760555888576
Energy: 0.6039046936804836
Energy: 0.5133950625982092
Energy: 0.5995385178076422
Energy: 0.5133950625728612
Energy: 0.5505141338685509
Energy: 0.4997093252142934
Energy: 0.5455577150148136
Energy: 0.4997093252227427
Energy: 0.6274444658965981
Energy: 0.5136227612882341
Energy: 0.6758486623744522
Energy: 0.5136227612966836
Energy: 0.5044890239202527
Energy: 0.5265707237189424
Energy: 0.71791572275785
Energy: 0.5265707237189424
Energy: 0.631555654929388
Energy: 0.8349059658467902
Energy: 0.6477260857423641
Energy: 0.8349059658467902
Energy: 0.6440761089572565
Energy: 0.874204532204204
Energy: 0.6751148829450373
Energy: 0.8742045322211027
Energy: 0.669304316336452
Energy: 1.2176459680554097
Energy: 0.5888276887101134
Energy: 1.2176459680554097
Energy: 0.6475591812482658
Energy: 1.0385624127624962
Energy: 0.6196629977391354
Energy: 1.0385624127709456
Energy: 0.536551869140248
Energy: 1.2481020290240141
Energy: 0.7393593170580469
Energy: 1.2481020290155649
Energy: 0.5236797469904085
Energy: 1.2476637344681005
Energy: 0.667368050688658
Energy: 1.2476637344681005
Energy: 0.6006442970293543
Energy: 1.2108696136950654
Energy: 0.636585884383301
Energy: 1.2108696136950654
Energy: 0.6075501393879831
Energy: 1.1940627434433488
Energy: 0.6712184775252227
Energy: 1.1940627434433488
Energy: 0.6805424387454313
Energy: 0.6969505635937929
Energy: 0.8658744191152201
Energy: 0.6969505636022422
Energy: 0.7303513151629053
Energy: 0.6882838022411558
Energy: 0.5992440222331824
Energy: 0.6882838022496052
Energy: 0.6040332431111516
Energy: 0.5059532549862585
Energy: 0.5197003738982925
Energy: 0.5059532549862585

minimum gb energy = 0.4997093252142934 eV
minimum distance =  2.29015429604046 Angstroms
sigma value = 25


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

Energy: 0.9671340085133768
Energy: 0.5659073629205512
Energy: 0.7683341445069546
Energy: 0.6123944565635394
Energy: 0.7483986762691183
Energy: 0.7371261947146509
Energy: 0.695149690574533
Energy: 0.7371261947156331
Energy: 0.7377473673974044
Energy: 0.5650162146126413
Energy: 0.8255784329520331
Energy: 0.5650162146116591
Energy: 0.7834527248679339
Energy: 0.8938868960803094
Energy: 0.8560878832799965
Energy: 0.8938868959782482
Energy: 0.7396370722893039
Energy: 0.9321322171401227
Energy: 0.8056026570582521
Energy: 0.9321322171381582
Energy: 0.6771454354333344
Energy: 0.7715295876373582
Energy: 0.8074872200174315
Energy: 0.7715295876411978
Energy: 0.9015513131077224
Energy: 1.3698657434567922
Energy: 1.2937447559467479
Energy: 1.3698657434577746
Energy: 0.7957842304486585
Energy: 1.1441450219973652
Energy: 0.7473269553380423
Energy: 1.1441450219954008
Energy: 0.7991556799517854
Energy: 1.2368590387873093
Energy: 0.8116236257436941
Energy: 1.2368590387873093
Energy: 0.7097291043557133
Energy: 1.2330032870242926
Energy: 0.7616423568007781
Energy: 1.233003287025275
Energy: 0.6140829691232821
Energy: 1.1521492454975286
Energy: 0.8591289360945489
Energy: 1.152149245498511
Energy: 0.8360462291658945
Energy: 1.176844734472394
Energy: 0.6909680212894169
Energy: 1.1768447344694475
Energy: 0.6984116212817668
Energy: 0.6521779200788921
Energy: 0.7303287045134284
Energy: 0.6521779200749632
Energy: 0.8567904484468211
Energy: 0.6425257913785698
Energy: 0.8853292135368122
Energy: 0.6425257913726765
Energy: 0.8185783844514225
Energy: 0.6535108231766433
Energy: 0.7681748514580021
Energy: 0.6535108231805722
Energy: 0.9003506952776653
Energy: 0.718047903529746
Energy: 0.866760683752336
Energy: 0.7180479035543014
Energy: 0.738281556682684
Energy: 0.8652733322939162
Energy: 0.7536514031800962
Energy: 0.8652733322870406
Energy: 0.7396353593446059
Energy: 0.869972212714082
Energy: 0.9869590450571148
Energy: 0.8699722127150642
Energy: 1.2952428863404755
Energy: 1.373562220372048
Energy: 0.9681341492362938
Energy: 1.3735622203749946
Energy: 0.7793740267887175
Energy: 1.3604866703249727
Energy: 0.9318879168375879
Energy: 1.3604866703259548
Energy: 0.8249485058296293
Energy: 1.3193454253469363
Energy: 0.8167149063206318
Energy: 1.3193454253479187
Energy: 0.8164444916379504
Energy: 1.319788741398804
Energy: 0.7646626728529725
Energy: 1.3197887414017506
Energy: 0.8181697486526525
Energy: 0.9958804211699032
Energy: 0.6271701808100786
Energy: 0.995880421168921
Energy: 0.6920547520309903
Energy: 0.9819501221589803
Energy: 0.762902819219238
Energy: 0.981950122157998
Energy: 0.6598096421171606
Energy: 0.5161441353042249
Energy: 0.6611051320072745
Energy: 0.5161441353081537

minimum gb energy = 0.5161441353042249 eV
minimum distance =  2.29040060976781 Angstroms
sigma value = 9


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

Energy: 1.0022259132515392
Energy: 0.8804879096298129
Energy: 0.8819740094420278
Energy: 0.8510285060933185
Energy: 0.7778492499673006
Energy: 0.9455192978415159
Energy: 0.9724732959952564
Energy: 0.9455192978426876
Energy: 0.6985462509429381
Energy: 0.71089645069402
Energy: 0.7543541218186381
Energy: 0.7108964506893332
Energy: 0.7308320874341481
Energy: 1.175023052224942
Energy: 0.9840656186749258
Energy: 1.1750230522319722
Energy: 1.0137437253458634
Energy: 1.1741498244304354
Energy: 0.9831979302163213
Energy: 1.1741498244163746
Energy: 0.986156833038409
Energy: 1.1791263371321936
Energy: 0.8854742456361089
Energy: 1.1791263371298504
Energy: 1.1444235114678876
Energy: 1.488274479378254
Energy: 0.9951038377009442
Energy: 1.4882744793805975
Energy: 0.88946835000082
Energy: 1.3348616012794579
Energy: 0.8372660595365732
Energy: 1.334861601278286
Energy: 0.9845179826731891
Energy: 1.1797546496382627
Energy: 0.8358110639139484
Energy: 1.1797546496394342
Energy: 0.9805929243777067
Energy: 1.1862064713575222
Energy: 0.8366140298757799
Energy: 1.1862064713516636
Energy: 0.8408275555993986
Energy: 0.6850840023421706
Energy: 0.7498348488651949
Energy: 0.6850840023409989
Energy: 0.8849568543738331
Energy: 0.7052817913540605
Energy: 0.817906748098213
Energy: 0.7052817913798382
Energy: 0.7518643020339721
Energy: 0.7199400975840742
Energy: 0.7508100796654407
Energy: 0.7199400975840742
Energy: 0.7579692710695967
Energy: 0.7170650013597702
Energy: 0.7550804692921811
Energy: 0.7170650013843765
Energy: 1.0132837136582828
Energy: 1.1733748740804173
Energy: 0.9473109438762619
Energy: 1.1733748740839325
Energy: 0.9773010221542423
Energy: 1.1779505177777594
Energy: 0.9435498828131609
Energy: 1.1779505177742442
Energy: 1.1518926179096707
Energy: 1.4851040331427223
Energy: 0.9931167105018955
Energy: 1.485104033145066
Energy: 1.1068883019310134
Energy: 1.4889818286461436
Energy: 0.8565283904683073
Energy: 1.4889818286473153
Energy: 0.9876679653033277
Energy: 1.181977279296531
Energy: 0.8345106660347686
Energy: 1.1819772792977028
Energy: 1.019237471334966
Energy: 1.1801635736730876
Energy: 0.8352406185522965
Energy: 1.1801635736719158
Energy: 0.8468996346829425
Energy: 0.6991800814667483
Energy: 0.7560694681952442
Energy: 0.6991800814702633

minimum gb energy = 0.6850840023409989 eV
minimum distance =  2.31656723515917 Angstroms
sigma value = 25


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

Energy: 1.6438598004816132
Energy: 1.097603685363383
Energy: 1.1008673367726105
Energy: 1.0829954882961006
Energy: 0.9612837451696522
Energy: 1.1524350392836127
Energy: 0.9686713924595377
Energy: 1.152435039290858
Energy: 1.1752359925737839
Energy: 0.9592581127401655
Energy: 0.9890649424555369
Energy: 0.9592581127416144
Energy: 0.9751003916271476
Energy: 1.1612018070265377
Energy: 1.1091863223871774
Energy: 1.1612018070236394
Energy: 1.2417601912402572
Energy: 1.3868388893978008
Energy: 1.1824151205026772
Energy: 1.3868388894006989
Energy: 1.205258557800581
Energy: 1.400930669522428
Energy: 1.1085684849143203
Energy: 1.400930669523877
Energy: 1.412438319885013
Energy: 1.3879251142768223
Energy: 1.2489981873371023
Energy: 1.3879251142840674
Energy: 1.1086424928417418
Energy: 1.3869294720404322
Energy: 1.111394344878833
Energy: 1.3869294720389835
Energy: 0.9601214372777189
Energy: 0.950745464454667
Energy: 0.8666497872839543
Energy: 0.950745464456116
Energy: 0.9713957783529836
Energy: 0.9399395318962683
Energy: 0.8373540636425092
Energy: 0.9399395319020645
Energy: 1.0003743915888283
Energy: 0.9592859958857404
Energy: 0.9836909961862578
Energy: 0.9592859958900876
Energy: 0.9964199063889231
Energy: 0.9481873444851556
Energy: 0.9775473129926291
Energy: 0.9481873444837066
Energy: 1.1082462361490235
Energy: 1.3858692264470645
Energy: 1.246923734327026
Energy: 1.3858692264456152
Energy: 1.1048194769522128
Energy: 1.3868768887779637
Energy: 0.9794889251103216
Energy: 1.3868768887779637
Energy: 1.232354568687058
Energy: 1.3878896942317227
Energy: 1.1129507806774697
Energy: 1.3878896942375187
Energy: 1.1100897749809127
Energy: 1.4110156591747702
Energy: 1.103341621630547
Energy: 1.4110156591747702
Energy: 0.8515998183836854
Energy: 0.936904408061631
Energy: 0.9785121521073719
Energy: 0.936904408064529

minimum gb energy = 0.8373540636425092 eV
minimum distance =  2.32125415107308 Angstroms
sigma value = 17


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

Energy: 1.0148124545663286
Energy: 1.0275335528989133
Energy: 1.0631650954764198
Energy: 0.9260945748235617
Energy: 1.035229402247496
Energy: 1.0603189159533553
Energy: 0.9630223386860934
Energy: 1.0603189159533553
Energy: 1.0146215583847449
Energy: 1.0494301597849405
Energy: 1.020401074997016
Energy: 1.049430159776734
Energy: 1.0960655574125593
Energy: 1.3337847639047564
Energy: 1.0132138737499155
Energy: 1.3337847638801361
Energy: 1.153459314763302
Energy: 1.5393366377548194
Energy: 1.2491974140786717
Energy: 1.5393366377630264
Energy: 1.0573404534712532
Energy: 1.6690542634055117
Energy: 1.0372004842282654
Energy: 1.6690542634055117
Energy: 1.1602619103040315
Energy: 1.091009894695234
Energy: 1.1321443812466403
Energy: 1.091009894695234
Energy: 0.9641379398313454
Energy: 1.0941155699710476
Energy: 1.0314199220234759
Energy: 1.0941155699710476
Energy: 0.8301003039422475
Energy: 0.9198762975719068
Energy: 1.310387760138418
Energy: 0.9198762975719068
Energy: 0.9842599611386269
Energy: 0.9719865172202201
Energy: 0.99347615888169
Energy: 0.9719865172120132
Energy: 1.2125298730167762
Energy: 1.2985259019516644
Energy: 1.0481629128413932
Energy: 1.2985259019516644
Energy: 1.050838737629525
Energy: 1.3583652056248199
Energy: 1.1216917997949087
Energy: 1.3583652056248199
Energy: 1.137901414919372
Energy: 1.3738972129704512
Energy: 1.2221201582099928
Energy: 1.3738972129704512
Energy: 1.1543987616386495
Energy: 1.3101735359924018
Energy: 1.0932770161741197
Energy: 1.3101735359759885
Energy: 1.034561842862272
Energy: 0.9616256667068784
Energy: 1.0588042797542152
Energy: 0.9616256667068784
Energy: 0.9450642670022064
Energy: 0.9816815724800031
Energy: 0.9609166008723083
Energy: 0.9816815724635896
Energy: 1.0090221490408375
Energy: 1.079527136931388
Energy: 1.0171067921388068
Energy: 1.079527136931388
Energy: 1.020098569635269
Energy: 1.09983784108143
Energy: 1.1551036272349988
Energy: 1.099837841073223
Energy: 1.0949779777116115
Energy: 1.5655426237871737
Energy: 1.0503428748649475
Energy: 1.5655426237871737
Energy: 1.2665094674846147
Energy: 1.5884063165749216
Energy: 1.0491614318899252
Energy: 1.5884063165749216
Energy: 1.114729592277652
Energy: 1.0484862790526974
Energy: 1.0237677792130686
Energy: 1.0484862790526974
Energy: 0.9924172571335288
Energy: 0.9828720568097042
Energy: 1.0417882826463165
Energy: 0.9828720567932909
Energy: 0.9929535427261279
Energy: 0.9752651019352562
Energy: 0.9723177144776939
Energy: 0.9752651019352562
Energy: 1.3124904805370992
Energy: 0.9759612057988148
Energy: 0.8945897062721602
Energy: 0.9759612057988148
Energy: 1.065018048165549
Energy: 1.4935815579593907
Energy: 0.9952866110069539
Energy: 1.4935815579593907
Energy: 1.2014465923204014
Energy: 1.3617902255803969
Energy: 1.3580916791583921
Energy: 1.3617902256214305
Energy: 1.091311974439554
Energy: 1.485751080831539
Energy: 1.0488993264309159
Energy: 1.485751080823332
Energy: 1.210550728344807
Energy: 1.3055096295351822
Energy: 1.164078930596602
Energy: 1.3055096295269752
Energy: 1.0306110434021158
Energy: 1.4369925604016809
Energy: 1.382865396518055
Energy: 1.4369925604098877
Energy: 0.9497913003578498
Energy: 0.96660291229647
Energy: 0.9696012925354652
Energy: 0.96660291229647

minimum gb energy = 0.8301003039422475 eV
minimum distance =  2.31521667751665 Angstroms
sigma value = 53


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

Energy: 2.0459035897163327
Energy: 1.2872416749624855
Energy: 1.2857382192377802
Energy: 1.1597204614111825
Energy: 1.1138144496070232
Energy: 1.1678363312107112
Energy: 1.1367329078139545
Energy: 1.167836331208822
Energy: 1.1375915077239587
Energy: 1.1365637174240144
Energy: 1.6465305122468328
Energy: 1.1365637174240144
Energy: 1.1513747723858496
Energy: 1.2823273514271378
Energy: 1.1064532570647978
Energy: 1.2823273514271378
Energy: 1.1138552821918768
Energy: 1.280853278386783
Energy: 1.2648907609406883
Energy: 1.2808532783886724
Energy: 1.128965735954534
Energy: 1.2771644894790484
Energy: 1.158976326167775
Energy: 1.2771644894828271
Energy: 1.0936768184282937
Energy: 1.1069494232287604
Energy: 1.1605307089126542
Energy: 1.1069494232325392
Energy: 1.120708795225017
Energy: 1.0993816065742543
Energy: 1.1205923653744445
Energy: 1.0993816065761437
Energy: 1.1438553853268074
Energy: 1.1392908388500311
Energy: 1.4531085539225619
Energy: 1.1392908388462526
Energy: 1.1798843969513122
Energy: 1.169800594743753
Energy: 1.1391300185385447
Energy: 1.1698005947286383
Energy: 1.1684001299579192
Energy: 1.2764328699829106
Energy: 1.1598027695938318
Energy: 1.2764328699866891
Energy: 1.144589576736965
Energy: 1.242259315366957
Energy: 1.25928536077293
Energy: 1.2422593153688464
Energy: 1.1187849385595403
Energy: 1.1358450210458209
Energy: 1.1654261298780566
Energy: 1.1358450210514888

minimum gb energy = 1.0936768184282937 eV
minimum distance =  2.32519318027675 Angstroms
sigma value = 9


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

Energy: 1.2620516315582107
Energy: 0.9181410538043422
Energy: 1.3612577444131555
Energy: 1.0498009525272525
Energy: 1.1343693287743588
Energy: 1.8547620670227958
Energy: 1.1033528806888386
Energy: 1.8547620670227958
Energy: 1.146084978216189
Energy: 1.427270956109217
Energy: 1.2766361618224444
Energy: 1.427270956109217
Energy: 1.1274101219728316
Energy: 1.1117471136830555
Energy: 1.122763872748249
Energy: 1.1117471136900485
Energy: 1.2143397452080595
Energy: 1.1361528425528469
Energy: 1.229205252556132
Energy: 1.1361528425808178
Energy: 1.1378996875243097
Energy: 1.4583992997534805
Energy: 1.2416966487529444
Energy: 1.4583992997534805
Energy: 1.2554798089109171
Energy: 1.0284137040854542
Energy: 1.2437550233523702
Energy: 1.028413704092447
Energy: 1.3453421065786348
Energy: 1.0611312843090157
Energy: 1.104921788122612
Energy: 1.0611312843090157
Energy: 1.0975263966883975
Energy: 1.7981226888105428
Energy: 1.4165747853189112
Energy: 1.7981226888105428
Energy: 1.3698540114666684
Energy: 1.516613872903701
Energy: 1.1535020658549284
Energy: 1.5166138728477594
Energy: 1.1067546030757223
Energy: 1.096469063372712
Energy: 1.3476612663982988
Energy: 1.0964690633797047
Energy: 1.1809515064610001
Energy: 1.0960419369724703
Energy: 1.1200079560818956
Energy: 1.096041936979463
Energy: 1.3095607260440527
Energy: 1.0988977392745365
Energy: 1.1695493742744865
Energy: 1.0988977392745365
Energy: 1.3055687586561024
Energy: 1.0963449140617956
Energy: 1.11880413800674
Energy: 1.0963449140687884
Energy: 1.176011548978334
Energy: 1.3787672397418573
Energy: 1.202410326343045
Energy: 1.3787672397418573
Energy: 1.407761987319193
Energy: 1.4047555294761582
Energy: 1.2091389704247963
Energy: 1.404755529483151
Energy: 1.0880398300847984
Energy: 1.7525345657116291
Energy: 1.1283268831594373
Energy: 1.7525345657116291
Energy: 1.1636249949630997
Energy: 1.0365377245753313
Energy: 1.515310354222392
Energy: 1.0365377245753313
Energy: 1.147456090983312
Energy: 1.0444561848960732
Energy: 1.1808293175819449
Energy: 1.044456184903066
Energy: 1.653626985025315
Energy: 1.4183198488602111
Energy: 1.1283336091227163
Energy: 1.4183198488532187
Energy: 1.1032818139109088
Energy: 1.1117892240689051
Energy: 1.1504324050969605
Energy: 1.1117892240689051
Energy: 1.2386370826366817
Energy: 1.1540693580983377
Energy: 1.2607908921513804
Energy: 1.1540693580913446
Energy: 1.2312022467298136
Energy: 1.4451314274284803
Energy: 1.1407106186359766
Energy: 1.4451314274424656
Energy: 1.1528735457037134
Energy: 1.0730874890984312
Energy: 1.252580390972133
Energy: 1.0730874890984312
Energy: 1.1066225089713786
Energy: 1.0631107833299294
Energy: 1.2677430736468507
Energy: 1.0631107833229367
Energy: 1.3209143010888393
Energy: 1.7979372033925367
Energy: 1.0965263381297061
Energy: 1.7979372033995298
Energy: 1.1554517861542803
Energy: 1.4888430319590973
Energy: 1.3683657812318717
Energy: 1.4888430319800756
Energy: 1.1280062064735494
Energy: 1.1024376378447647
Energy: 1.1069034035744338
Energy: 1.1024376378447647
Energy: 1.4957794581500083
Energy: 1.1482173069337163
Energy: 1.1674733910920656
Energy: 1.1482173069337163
Energy: 1.166024969230861
Energy: 1.0975705195274463
Energy: 1.3363861864078401
Energy: 1.0975705195344392
Energy: 1.1152718479660522
Energy: 1.0834280700654026
Energy: 1.4706433056475496
Energy: 1.0834280700654026
Energy: 1.0997879650937796
Energy: 1.384392993187999
Energy: 1.1219765147438625
Energy: 1.384392993187999
Energy: 1.2038828690470817
Energy: 1.4281059122436477
Energy: 1.4083338135442396
Energy: 1.4281059122506405
Energy: 1.068650549620913
Energy: 1.7135986779689951
Energy: 1.0756621663381463
Energy: 1.7135986779689951
Energy: 1.5171271381326994
Energy: 1.0518738889290138
Energy: 1.0729290208356115
Energy: 1.0518738889290138

minimum gb energy = 0.9181410538043422 eV
minimum distance =  2.28684256111969 Angstroms
sigma value = 73


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

Energy: 1.9058164247208158
Energy: 0.8533350827666192
Energy: 0.8545406622046664
Energy: 1.0185886138282922
Energy: 0.9852140426347046
Energy: 1.1158433760808755
Energy: 1.092053002557272
Energy: 1.1158433760864228
Energy: 1.0643305937560619
Energy: 1.0626007544592726
Energy: 1.0889672554680245
Energy: 1.062600754454835
Energy: 1.0646518664734974
Energy: 1.0582285848427357
Energy: 1.0898611913797769
Energy: 1.0582285848482829
Energy: 1.0649486232004055
Energy: 1.39444213519291
Energy: 1.0696490011030695
Energy: 1.3944421351208964
Energy: 1.062040306401615
Energy: 1.42732402512458
Energy: 1.0094714988019695
Energy: 1.4273240251445503
Energy: 1.0551680555222702
Energy: 1.2652879150301544
Energy: 1.0897601200771814
Energy: 1.2652879150312637
Energy: 1.1076389678552852
Energy: 1.0283463930743775
Energy: 1.1111512446666412
Energy: 1.028346393075487
Energy: 1.1072076437527627
Energy: 1.6129674677907897
Energy: 1.048561367351458
Energy: 1.6129674677918988
Energy: 1.4127745455879581
Energy: 1.5140934616605979
Energy: 1.0052298635525942
Energy: 1.5140934616594885
Energy: 1.0228463449598244
Energy: 1.0127951379612068
Energy: 1.0845209017474278
Energy: 1.0127951379612068
Energy: 1.0741789138901459
Energy: 1.0189048947531358
Energy: 1.047086256033289
Energy: 1.0189048947553545
Energy: 1.0346777496728454
Energy: 1.3193837247699232
Energy: 1.011676855310403
Energy: 1.3193837247710327
Energy: 1.1053470702669
Energy: 1.2803781401078196
Energy: 1.0794699567724626
Energy: 1.2803781401078196
Energy: 1.1072959751422022
Energy: 1.2299018148288074
Energy: 1.0102572862584773
Energy: 1.2299018148708658
Energy: 1.0171116234194173
Energy: 0.9958177450703409
Energy: 1.0061697204521745
Energy: 0.9958177450703409
Energy: 1.078102170543819
Energy: 1.685717532340459
Energy: 1.039475692314667
Energy: 1.6857175323393494
Energy: 1.0372955536684114
Energy: 1.029039236454569
Energy: 1.0367875754107645
Energy: 1.0290392364556784
Energy: 1.074957168922369
Energy: 1.4134865611740093
Energy: 1.107305869577729
Energy: 1.4134865611662428
Energy: 1.0740901960543408
Energy: 1.222634342509488
Energy: 1.066796540506819
Energy: 1.2226343425117068
Energy: 1.0655646162182622
Energy: 1.3825014473774506
Energy: 1.0193258273657586
Energy: 1.382501447370794
Energy: 1.0953817391620857
Energy: 1.0038577907087782
Energy: 1.0221559757242802
Energy: 1.0038577907054496

minimum gb energy = 0.8533350827666192 eV
minimum distance =  2.29275881496818 Angstroms
sigma value = 7


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

Energy: 1.1089551045108068
Energy: 1.015516894353886
Energy: 1.263677820700901
Energy: 1.0324236695887918
Energy: 0.8561364335793588
Energy: 1.3797350721670523
Energy: 1.040218095289513
Energy: 1.3797350721748975
Energy: 1.037382183202614
Energy: 1.0156556851691136
Energy: 1.192056982789899
Energy: 1.0156556851691136
Energy: 1.025119857262012
Energy: 1.016616679061339
Energy: 1.0264977835484341
Energy: 1.0166166790534938
Energy: 1.0330412439940748
Energy: 0.9996740101672424
Energy: 1.0507613131068323
Energy: 0.9996740101672424
Energy: 1.0506237997246857
Energy: 1.3700885763997266
Energy: 1.0497477299095976
Energy: 1.3700885764075716
Energy: 0.9683174539183899
Energy: 1.3289016184843376
Energy: 1.0533435474705704
Energy: 1.3289016184843376
Energy: 1.1999384709499115
Energy: 1.0002415931256885
Energy: 1.1903502926326837
Energy: 1.0002415931256885
Energy: 1.0450737688319653
Energy: 1.0192416453345112
Energy: 1.1569634582723285
Energy: 1.0192416453345112
Energy: 0.9934332978604891
Energy: 1.6871147490414649
Energy: 1.0488839483272858
Energy: 1.68711474904931
Energy: 1.0408576144126747
Energy: 0.9978506002663334
Energy: 1.0624252643101095
Energy: 0.9978506002741784
Energy: 1.0359645277450074
Energy: 0.9948665688721064
Energy: 1.0627296609083123
Energy: 0.9948665688642615
Energy: 1.037315191332947
Energy: 1.6807700361095526
Energy: 1.0708379294651158
Energy: 1.6807700361095526
Energy: 1.031736892518986
Energy: 1.4057134179385375
Energy: 1.2856746182430587
Energy: 1.4057134179385375
Energy: 1.017747512049119
Energy: 1.3562098737412311
Energy: 1.0487205510599737
Energy: 1.3562098737412311
Energy: 1.0258476373121101
Energy: 0.9754325394974849
Energy: 1.008840310338903
Energy: 0.9754325394896399
Energy: 1.0596033646036584
Energy: 0.9747622158324477
Energy: 1.0355141025331613
Energy: 0.9747622158402927
Energy: 1.0274658518901452
Energy: 1.654891361120632
Energy: 1.240887576868886
Energy: 1.6548913611284768
Energy: 1.1629788219212724
Energy: 0.996358788876588
Energy: 1.0365196693003078
Energy: 0.996358788868743
Energy: 1.1756980133465091
Energy: 0.9974107352879714
Energy: 1.0561938215607896
Energy: 0.9974107352879714
Energy: 1.0524281339970099
Energy: 1.3694955516973422
Energy: 1.4763302223610784
Energy: 1.3694955516973422
Energy: 1.0525528922876242
Energy: 1.3500663928366106
Energy: 1.044526154002577
Energy: 1.3500663928366106
Energy: 1.0498577518045715
Energy: 1.0119714188449611
Energy: 1.0547562885172463
Energy: 1.0119714188449611
Energy: 1.0411061844771652
Energy: 1.0179751339487402
Energy: 1.0306305353070278
Energy: 1.0179751339487402
Energy: 1.0441187373596146
Energy: 1.3850989368426416
Energy: 1.0327036313039983
Energy: 1.3850989368426416
Energy: 1.0415128041510695
Energy: 1.3864069349162886
Energy: 0.9775500303348486
Energy: 1.3864069349005985
Energy: 0.988398288110737
Energy: 1.0146103135362938
Energy: 2.0541970662080065
Energy: 1.0146103135362938
Energy: 1.030983170561075
Energy: 1.3602437718056646
Energy: 0.9805000614696526
Energy: 1.3602437717978195
Energy: 1.0042153316231734
Energy: 1.397412531219989
Energy: 1.0395369082605797
Energy: 1.397412531212144
Energy: 0.9973236095424499
Energy: 1.3710943775112658
Energy: 1.037749361270364
Energy: 1.3710943775034208
Energy: 1.064642271478362
Energy: 1.0004383008744815
Energy: 1.0685681388305255
Energy: 1.0004383008744815

minimum gb energy = 0.8561364335793588 eV
minimum distance =  2.2900576681794 Angstroms
sigma value = 29


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

Energy: 1.4032262300964935
Energy: 0.6857037792547898
Energy: 1.1820626002987629
Energy: 0.826914807620807
Energy: 0.6307936447471302
Energy: 0.5835289921200305
Energy: 0.5111716323355933
Energy: 0.5835289921253743
Energy: 0.5303729735964245
Energy: 0.534635894819776
Energy: 1.2286871785773077
Energy: 0.5346358948224479
Energy: 0.950007643781411
Energy: 0.46095390318487395
Energy: 0.5864943168492632
Energy: 0.46095390318220203
Energy: 0.470552419432979
Energy: 0.35530016511842305
Energy: 0.9513541553848646
Energy: 0.35530016511842305
Energy: 0.5897684029932762
Energy: 0.5769193513994968
Energy: 0.9502771880848484
Energy: 0.5769193514795329
Energy: 1.2274678550014193
Energy: 0.6144399720476375
Energy: 0.5251324346979218
Energy: 0.6144399720422936
Energy: 0.5748566658982222
Energy: 0.6684061787106496
Energy: 0.9464728943335678
Energy: 0.6684061787106496
Energy: 0.9439502535441939
Energy: 0.5182450503011861
Energy: 0.6193420642210271
Energy: 0.5182450503038579

minimum gb energy = 0.35530016511842305 eV
minimum distance =  2.30472174018761 Angstroms
sigma value = 5


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

Energy: 1.7815714554635704
Energy: 0.7445599642335012
Energy: 1.1361366749345176
Energy: 0.8101674323337027
Energy: 1.2331834081830473
Energy: 1.0986192910433352
Energy: 1.088619824174736
Energy: 1.0986192910433352
Energy: 1.1574526285302618
Energy: 1.157421249475062
Energy: 1.0682979784664886
Energy: 1.157421249475062
Energy: 0.8908137027798197
Energy: 1.4633364095063308
Energy: 1.1104502576228719
Energy: 1.46333640949892
Energy: 1.0582411968967582
Energy: 0.8091714739422669
Energy: 1.419461965047914
Energy: 0.8091714739496774
Energy: 0.8710891220985689
Energy: 0.812856822072275
Energy: 1.2801209642564038
Energy: 0.812856822072275
Energy: 0.8668568563905994
Energy: 0.8309286731360629
Energy: 1.0726117102341146
Energy: 0.8309286731286525
Energy: 0.9510006102657704
Energy: 1.3539546049198339
Energy: 1.0247949924466249
Energy: 1.3539546049124236
Energy: 1.1973452626243883
Energy: 1.2081645997095176
Energy: 1.2998576813529967
Energy: 1.2081645996872858
Energy: 1.5142758205992564
Energy: 1.2212506515562074
Energy: 0.8381300790761536
Energy: 1.2212506515784392
Energy: 0.918466535131227
Energy: 0.8222417031378296
Energy: 0.913708448967895
Energy: 0.8222417031304192
Energy: 1.5339554242411118
Energy: 0.8574044445420317
Energy: 0.8508782235899006
Energy: 0.857404444534621
Energy: 1.4474613791074
Energy: 1.230434922223447
Energy: 1.1153790683330833
Energy: 1.2304349221863942
Energy: 1.0181942184380663
Energy: 1.2433017385434868
Energy: 1.1656921751098137
Energy: 1.2433017385508975
Energy: 0.8520913029494435
Energy: 0.8084514809323378
Energy: 1.0830267928399677
Energy: 0.8084514809323378
Energy: 0.9158177073226197
Energy: 0.81974774922542
Energy: 1.2775963059106081
Energy: 0.8197477492328306
Energy: 0.8098294987836494
Energy: 0.7832434671216699
Energy: 1.1548949830429558
Energy: 0.7832434671216699
Energy: 1.085159201417022
Energy: 0.8374994259446689
Energy: 0.9793931704452877
Energy: 0.837499425996408
Energy: 1.0615382732053305
Energy: 1.2503782715331697
Energy: 1.1711740351453577
Energy: 1.2503782715554013
Energy: 1.113209796049859
Energy: 1.3079564697982082
Energy: 0.8943841089425686
Energy: 1.3079564697907977
Energy: 1.2880249973597002
Energy: 0.8141293242001034
Energy: 1.0459040825647858
Energy: 0.8141293242149246
Energy: 1.2603020840299763
Energy: 0.8090972980301706
Energy: 0.866360174496012
Energy: 0.80909729802276
Energy: 1.0760593420470796
Energy: 0.8154789513369581
Energy: 0.8564342287138854
Energy: 0.8154789513443688
Energy: 0.9350582479341822
Energy: 1.122706807042598
Energy: 0.9485708662828654
Energy: 1.122706807042598
Energy: 1.1614136487875106
Energy: 1.208386655913193
Energy: 1.2441841366891193
Energy: 1.208386655913193
Energy: 0.7333658923881711
Energy: 1.203050805026047
Energy: 1.5289628870846965
Energy: 1.203050805033323
Energy: 1.0107452099081713
Energy: 0.7753590451741008
Energy: 0.8045267709805882
Energy: 0.7753590451815114
Energy: 0.8642821016812025
Energy: 0.7844463232069027
Energy: 1.1049542758890665
Energy: 0.7844463232143132
Energy: 1.0508517902504855
Energy: 1.2342415077151392
Energy: 1.4452043368073844
Energy: 1.23424150772255
Energy: 1.286849236124568
Energy: 1.5305537104894718
Energy: 0.826048531543794
Energy: 1.5305537104894718
Energy: 1.093910911733593
Energy: 0.8197299180091171
Energy: 0.8811142671214304
Energy: 0.8197299180091171
Energy: 1.281777749367656
Energy: 0.8010633612638018
Energy: 0.8966505449434536
Energy: 0.8010633612563913
Energy: 1.1554131808010746
Energy: 0.818670587920665
Energy: 0.84385204058515
Energy: 0.818670587920665

minimum gb energy = 0.7333658923881711 eV
minimum distance =  2.26719231028054 Angstroms
sigma value = 1


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

Energy: 1.271886696149739
Energy: 0.9840653098345548
Energy: 0.6444032156292522
Energy: 1.8635485021022238
Energy: 0.8898771131693565
Energy: 1.1309748893643237
Energy: 1.0174486049470848
Energy: 1.130974889369447
Energy: 1.1480866353332275
Energy: 1.099547098629476
Energy: 0.7965338918040604
Energy: 1.099547098624353
Energy: 0.7875300662351474
Energy: 0.9299463396741565
Energy: 1.0870127732878636
Energy: 0.9299463427671539
Energy: 1.0200475315784874
Energy: 0.6854490489623527
Energy: 0.9691562989997036
Energy: 0.6854490489654267
Energy: 0.7642398549264139
Energy: 0.6995764364367938
Energy: 0.9580650231346712
Energy: 0.6995764364367938
Energy: 0.7563373394688264
Energy: 0.6748146294680647
Energy: 0.7124458700061963
Energy: 0.6748146294660154
Energy: 0.8576362229098484
Energy: 1.2407029597327852
Energy: 1.5206977029375461
Energy: 1.2407029597195582
Energy: 0.7855553495973612
Energy: 1.1326464128638378
Energy: 1.2949950703681323
Energy: 1.1326464128669116
Energy: 1.1809254063525108
Energy: 1.0437407629312851
Energy: 0.7567279774493473
Energy: 1.0437407629364084
Energy: 0.8682854771304898
Energy: 0.6853443685338287
Energy: 0.8450090029575439
Energy: 0.6853443685317795
Energy: 1.542081329642743
Energy: 0.6689602477077846
Energy: 0.716783208746873
Energy: 0.6689602477016369
Energy: 1.5303854688288168
Energy: 0.7116827986452372
Energy: 0.8979959308671296
Energy: 0.7116827986411387
Energy: 0.9432533418287982
Energy: 1.172909348123535
Energy: 1.0678506812984876
Energy: 1.1729093354636229
Energy: 0.7811899140675951
Energy: 0.8350546827555422
Energy: 0.9736401999022731
Energy: 0.8350546827545177
Energy: 0.7683158248606059
Energy: 1.0902986250253812
Energy: 0.73962695282798
Energy: 1.0902985641235574
Energy: 0.7040062303672516
Energy: 0.6894815112606001
Energy: 1.3606895438172326
Energy: 0.6894815112616247
Energy: 0.7548856505796567
Energy: 0.6769447332323317
Energy: 0.9881824493308021
Energy: 0.6769447332384796
Energy: 0.6932406703511416
Energy: 0.6733978206737533
Energy: 1.287925793129146
Energy: 0.6733978206706793
Energy: 0.6859207217173836
Energy: 1.2226051342252198
Energy: 1.442551883442622
Energy: 1.2226051339773516
Energy: 1.1107225369840976
Energy: 1.1683824489465184
Energy: 0.8652096042879271
Energy: 1.1683824488625913
Energy: 1.1571457891312504
Energy: 0.6780423417767087
Energy: 0.7465599355074082
Energy: 0.678042341770561
Energy: 1.1283190683895614
Energy: 0.775297969708402
Energy: 0.7579995932287559
Energy: 0.7752979697073774
Energy: 1.5310618225220909
Energy: 0.7058705357242261
Energy: 0.7606301214553542
Energy: 0.7058705357232014

minimum gb energy = 0.6444032156292522 eV
minimum distance =  2.2528404294191 Angstroms
sigma value = 17


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

Energy: 1.4348810563378407
Energy: 0.2710383036662578
Energy: 0.9968771188706741
Energy: 0.45652684811761607
Energy: 0.6487807325633391
Energy: 0.6551468029507111
Energy: 0.9637519310491375
Energy: 0.6551468029507111
Energy: 1.243074548703796
Energy: 0.7726061659226005
Energy: 0.9671951421009632
Energy: 0.7726061655366296
Energy: 1.1723717746203621
Energy: 0.8893867008166043
Energy: 0.7574967965615459
Energy: 0.8893867008103865
Energy: 1.038775869613459
Energy: 0.4716861776135044
Energy: 1.5433496373910172
Energy: 0.4716861775819542
Energy: 0.7424743086745155
Energy: 0.6406691451577695
Energy: 1.409717383456787
Energy: 0.6406691451515517
Energy: 0.8133753956793337
Energy: 0.8345867405671512
Energy: 0.3327176342684349
Energy: 0.8345867405671512
Energy: 0.6871042076718947
Energy: 0.5907978171153142
Energy: 1.2547566750172456
Energy: 0.5907978171153142
Energy: 1.3864605154397707
Energy: 0.9893024275115259
Energy: 0.9881040577627003
Energy: 0.989302427505308
Energy: 0.947964520210569
Energy: 1.3149488562377027
Energy: 1.025620260778606
Energy: 1.314948856275701
Energy: 0.57344021024002
Energy: 0.9758395668351275
Energy: 0.9940125395947841
Energy: 0.9758395665755873
Energy: 0.9988628166839032
Energy: 0.6685369180914635
Energy: 0.9468837090704619
Energy: 0.6685369180850154
Energy: 1.4614513713797852
Energy: 0.5457525530841116
Energy: 0.7600152675879868
Energy: 0.5457525530649974
Energy: 0.5913760851468537
Energy: 0.6972034567821742
Energy: 0.74583771177951
Energy: 0.6972034567821742
Energy: 1.3391370869951464
Energy: 0.6564456729084207
Energy: 0.6984851891204464
Energy: 0.6564456729337529
Energy: 1.5650351360474541
Energy: 0.23085793573551294
Energy: 0.4681579325750606
Energy: 0.23085809995483988
Energy: 0.7840100582353009
Energy: 0.9497992560830508
Energy: 1.294672158127497
Energy: 0.9497992560830508
Energy: 0.8107061744535619
Energy: 0.782009386685067
Energy: 1.0227373579607923
Energy: 0.782009386685067
Energy: 0.7454205092674421
Energy: 0.6510116868243718
Energy: 1.517056592384084
Energy: 0.6510116868305897
Energy: 0.9180000644109583
Energy: 0.5019648690208237
Energy: 1.4290987750424173
Energy: 0.5019648690017093
Energy: 0.9857643972282204
Energy: 0.654302744021664
Energy: 0.6208469041033875
Energy: 0.6543027440027799
Energy: 0.9946363036232904
Energy: 1.0819130064964204
Energy: 1.2444025298780086
Energy: 1.0819130064964204
Energy: 0.7005742761334774
Energy: 1.3748710587450064
Energy: 1.2222774816479485
Energy: 1.3748710587514545
Energy: 1.5457752164855305
Energy: 0.6761265946923584
Energy: 0.9595972528963383
Energy: 0.6761265946796924
Energy: 1.4381585920918805
Energy: 0.6358614253924624
Energy: 0.7488405504661223
Energy: 0.6358614253924624
Energy: 0.6046468656907453
Energy: 0.6353796663874429
Energy: 0.9125601611641107
Energy: 0.635379666368559
Energy: 1.4248802877846078
Energy: 0.3529062724583584
Energy: 0.7713762239401284
Energy: 0.3529062724456924
Energy: 0.6411248241474395
Energy: 0.9499919910034178
Energy: 1.3966841459075972
Energy: 0.9499919911489629
Energy: 1.017919746773165
Energy: 1.3203885359003222
Energy: 0.9939814083810041
Energy: 1.3203885359194365
Energy: 0.7707787252726774
Energy: 0.5619836064768756
Energy: 1.37974263801216
Energy: 0.5619835850554916
Energy: 0.9240217345032066
Energy: 0.6711339169063983
Energy: 1.0152068307079694
Energy: 0.6711339169063983
Energy: 0.7602148653714405
Energy: 0.6890088823690695
Energy: 1.470696418613033
Energy: 0.6890088823690695
Energy: 0.7454054047321358
Energy: 0.9834324679415737
Energy: 0.5412442565681724
Energy: 0.9834324679415737
Energy: 0.7006875708621905
Energy: 1.0933182183860015
Energy: 1.3323769668192058
Energy: 1.0933182183860015
Energy: 0.572466663890938
Energy: 1.132677493818759
Energy: 1.577820252902433
Energy: 1.132677493818759
Energy: 1.090591046172763
Energy: 0.31598043433786027
Energy: 0.7848395778373435
Energy: 0.31598042518440883
Energy: 0.628537706396026
Energy: 0.8309581550026109
Energy: 0.8012364284861725
Energy: 0.8309581550026109
Energy: 1.5113351863050815
Energy: 0.6894754204828392
Energy: 0.7635376007873125
Energy: 0.6894754204890571

minimum gb energy = 0.23085793573551294 eV
minimum distance =  2.27040064984687 Angstroms
sigma value = 89


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

Energy: 0.9312477374313699
Energy: 1.0794537535191435
Energy: 0.39758587418887015
Energy: 1.3111863581635859
Energy: 0.7347752570708187
Energy: 0.5484108041827239
Energy: 0.22019751477281904
Energy: 0.5484108041827239
Energy: 0.860598422653794
Energy: 0.5499586495221843
Energy: 0.6637992479030569
Energy: 0.5499586495221843
Energy: 0.9508078170173703
Energy: 0.919410303283913
Energy: 1.1011974172648762
Energy: 0.9194102994546128
Energy: 0.9315194978823104
Energy: 1.069462205320259
Energy: 1.478012264260245
Energy: 1.069462205323573
Energy: 0.8043305347622081
Energy: 0.9714587257879295
Energy: 1.5089516439830732
Energy: 0.9714587220893859
Energy: 0.9119108540288519
Energy: 1.0231201115792952
Energy: 0.6416178143283245
Energy: 1.0231201115710098
Energy: 0.7786973230246123
Energy: 1.8514852551231498
Energy: -0.01725324659471316
Energy: 1.8514852551214929
Energy: 0.5703212613280108
Energy: 0.5372463862686847
Energy: 0.28879183342977716
Energy: 0.5372463862620566
Energy: 0.3967668342917502
Energy: 1.6648357221578505
Energy: 0.8275355214991985
Energy: 1.6648357221561931
Energy: 0.5254647388471311
Energy: 1.0526403651672094
Energy: 0.8791112922947393
Energy: 1.0526403651688665
Energy: 1.592682556930448
Energy: 0.9218249399501443
Energy: 0.782471414527291
Energy: 0.9218249399518014
Energy: 1.349829357242115
Energy: 0.4806148817424137
Energy: 0.575642801415785
Energy: 0.4806148817424137
Energy: 0.715536950041883
Energy: 0.6732402923910317
Energy: 0.5908989522563192
Energy: 0.6732402923893746
Energy: 0.7233971463720226
Energy: 0.49202353064802035
Energy: 0.4961363656142356
Energy: 0.4920235306496774

minimum gb energy = -0.01725324659471316 eV
minimum distance =  2.26390043600224 Angstroms
sigma value = 13


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

Energy: 1.6598241345233316
Energy: -0.33055724162265726
Energy: -0.022301179094470363
Energy: -0.16738208303618618
Energy: -0.19123948620415024
Energy: 0.28906605600380036
Energy: 0.2909119912335477
Energy: 0.28906605603158164
Energy: -0.08559146320538835
Energy: 0.8433445030282409
Energy: 0.5480301266244972
Energy: 0.8433445030282409
Energy: 1.0993040644526058
Energy: -0.1490524703776536
Energy: -0.12688714608128454
Energy: -0.14905247017636558
Energy: -0.281154763821085
Energy: 0.9158226513910195
Energy: 1.353607859061596
Energy: 0.915822651384074
Energy: 0.10825612321414597
Energy: 0.5406146881819058
Energy: 0.46203374022685495
Energy: 0.5406146372605749
Energy: -0.0210040511599326
Energy: 0.5324927147371061
Energy: -0.4117099618957295
Energy: 0.5324927147301609
Energy: 0.2564969097137044
Energy: -0.02990959632573676
Energy: 1.5681902833437587
Energy: -0.029909596311846122
Energy: 0.01399993282947186
Energy: 0.2154734036192845
Energy: 0.40842042286841623
Energy: 0.21547340359844855
Energy: 0.26008030273798616
Energy: 0.5185330498522939
Energy: -0.4075681967894288
Energy: 0.5185330498522939
Energy: 0.5382285482354774
Energy: -0.20072585376145494
Energy: 0.4452404421688029
Energy: -0.20072585407386817
Energy: 0.9188246413124448
Energy: 0.45885451093324126
Energy: -0.4786785153120416
Energy: 0.45885451095407725
Energy: -0.14967263790406982
Energy: 0.6910671506841786
Energy: -0.2768366525083177
Energy: 0.69106724700089
Energy: -0.30611351189837965
Energy: 1.4740091369745372
Energy: 1.0552689870045406
Energy: 1.4740091369675918
Energy: 0.3761889578173838
Energy: 0.10138047080189114
Energy: -0.16703857823375864
Energy: 0.10138047080189114
Energy: -0.09082393204749213
Energy: -0.03399748779634072
Energy: 0.06955833303324062
Energy: -0.03399748779634072
Energy: -0.5840023162013354
Energy: 0.6967461301120549
Energy: 0.1995926122411278
Energy: 0.6967461301120549
Energy: 1.6365358840972197
Energy: -0.017812913676691477
Energy: -0.2499905515375293
Energy: -0.01781291366280083
Energy: 0.1780494534690006
Energy: 0.44609293661022303
Energy: -0.3743880778353485
Energy: 0.4460929365963324
Energy: 0.00456353434307942
Energy: 0.9566001145884467
Energy: 0.6607122061706304
Energy: 0.9566001136095352
Energy: 0.9819615596808428
Energy: 0.49733559483156004
Energy: -0.2717437927885315
Energy: 0.4973355958659078
Energy: -0.018068155219674628
Energy: 0.5675054882665334
Energy: 1.3598564770881487
Energy: 0.5675054882734787
Energy: 0.3373000027592454
Energy: 0.3362053756151161
Energy: 1.3576425052523875
Energy: 0.5052006253156892
Energy: 0.7212565139338302
Energy: 0.1785666854718303
Energy: -0.6906763967722057
Energy: 0.17856668944278642
Energy: 0.534659719873994
Energy: -0.18837204183603357
Energy: 1.8313451115354833
Energy: -0.18837204183603357
Energy: 0.14982571299017952
Energy: -0.2954402439383133
Energy: 1.677510062511212
Energy: -0.2954402439869306
Energy: 0.12903878616866934
Energy: -0.504818317955466
Energy: -0.23047209075938174
Energy: -0.5048183178929581
Energy: 0.25828815664992966
Energy: -0.04291042173887067
Energy: 1.6364094192622038
Energy: -0.042910421766651954
Energy: -0.16919174541428622
Energy: 0.6081976683103587
Energy: 0.10375680817187864
Energy: 0.6081976683241231
Energy: 0.8182322190489281
Energy: 0.23230452831817536
Energy: -0.565912540582941
Energy: 0.23230454548637927
Energy: -0.17954788498540175
Energy: 1.4939283340500482
Energy: 0.08641762464424443
Energy: 1.4939283340639387
Energy: -0.04357432575652508
Energy: 0.14004798216112088
Energy: -0.46190952979566324
Energy: 0.14004798217501155
Energy: 0.3724358873005651
Energy: -0.15748561512549286
Energy: 0.038864066454685986
Energy: -0.1574856151116022
Energy: -0.5449135263926981
Energy: 0.6805317334979404
Energy: 0.43572298549100746
Energy: 0.680531733490995
Energy: 0.16005310127825623
Energy: -0.2109791324943014
Energy: -0.1135596457921767
Energy: -0.21097913250819203

minimum gb energy = -0.6906763967722057 eV
minimum distance =  2.2247936119128 Angstroms
sigma value = 37


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

Energy: 1.686607839401276
Energy: -0.2191675538139142
Energy: -0.24796750689135108
Energy: 0.34835853882146595
Energy: -0.11997513933725729
Energy: 0.04879264306002201
Energy: 0.5697212730506046
Energy: 0.04877547814238795
Energy: 0.2791154779797558
Energy: 0.4190134133945506
Energy: -0.1400339068071703
Energy: 0.4190134137553073
Energy: 0.16125136913749064
Energy: 0.2463292273083481
Energy: -0.22578331285184217
Energy: 0.24635951488242133
Energy: 0.4032073044286757
Energy: 0.14267034934975711
Energy: 0.5156480953464355
Energy: 0.1426703494930387
Energy: 0.19850654381973137
Energy: 0.9328764541293211
Energy: -0.30837085939630443
Energy: 0.9328764541317109
Energy: 0.04898831275632867
Energy: -0.34637583068933336
Energy: 0.3799469458478872
Energy: -0.3395153840492262
Energy: -0.07388567287414552
Energy: -0.1321148962799462
Energy: 0.4021968111722312
Energy: -0.13211489628114112
Energy: -0.19674369840108685
Energy: -0.22114119440486482
Energy: 0.5902911552315654
Energy: -0.22114119440486482
Energy: -0.019803392980182268
Energy: 0.348408455573259
Energy: 0.22440629733710735
Energy: 0.3484084555708692
Energy: -0.24871392151892177
Energy: 0.3483585388190761
Energy: 1.686607839402471
Energy: -0.21927292258645845
Energy: 0.5697212730470197
Energy: 0.04880098444835665
Energy: -0.11997513972419356
Energy: 0.04878799541387708
Energy: -0.14003403449082027
Energy: 0.41901341696464073
Energy: 0.2791154779713914
Energy: 0.4190134144683476
Energy: -0.22578331278264552
Energy: 0.24633275633495655
Energy: 0.16125150091069432
Energy: 0.2463490154694087
Energy: 0.5156480945497508
Energy: 0.1426703495862423
Energy: 0.40320729759558954
Energy: 0.1426703498131682
Energy: -0.30837086198688735
Energy: 0.9328764541675585
Energy: 0.19850654381853644
Energy: 0.9328764541257363
Energy: 0.3799464883723179
Energy: -0.3393976777532813
Energy: 0.04898831276349818
Energy: -0.3797252290730461
Energy: 0.40827494182430474
Energy: -0.13211489627636147
Energy: -0.07388567315962236
Energy: -0.13211489626919193
Energy: 0.5902910957868769
Energy: -0.22114119440964453
Energy: -0.19674369840108685
Energy: -0.22114119440605975
Energy: 0.22440629771328932
Energy: 0.3484084555696743
Energy: -0.019803392983767026
Energy: 0.3484084555696743

minimum gb energy = -0.3797252290730461 eV
minimum distance =  2.28493965624581 Angstroms
sigma value = 25


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

Energy: 1.3463364582735236
Energy: -0.17007262236958637
Energy: -0.06856206252338219
Energy: 0.13305172140066943
Energy: -0.2560624964013374
Energy: 0.6237572409479116
Energy: -0.9002934634420466
Energy: 0.6237572409497777
Energy: 0.28538642516123996
Energy: 0.6362155600457843
Energy: -0.3238240245158623
Energy: 0.6362155600569812
Energy: 0.8460610744033729
Energy: 0.3908712779637352
Energy: -0.4177413818171038
Energy: 0.390871277993424
Energy: -0.21099873993943186
Energy: 1.1377888171501116
Energy: -0.39113723435681097
Energy: 1.1377888171604604
Energy: -0.2429580195490369
Energy: 1.2778744100589188
Energy: -0.37063314429660854
Energy: 1.2778744100580703
Energy: -0.2831663625087834
Energy: 1.3137528014749436
Energy: -0.2799114447764931
Energy: 1.3137528014778277
Energy: -0.3198879061561559
Energy: 0.46160516100519444
Energy: -0.039821977633054916
Energy: 0.4616051604792798
Energy: -0.6082312616453226
Energy: -0.4963492146448233
Energy: -0.46434053903501205
Energy: -0.4387306058040904
Energy: 0.3722620130866044
Energy: 0.6128834101635576
Energy: -0.43979626678660605
Energy: 0.6128834101625398
Energy: -0.5060866903261313
Energy: -0.13921600957850278
Energy: 1.276797613165474
Energy: -0.13921600937051198
Energy: 0.13289792549466437
Energy: 0.27954471820340926
Energy: -0.35179586342231667
Energy: 0.2795447181978108
Energy: 0.2768038053411676
Energy: 0.22036031527049602
Energy: -0.29284923351448494
Energy: 0.22036031527049602
Energy: -0.19436497843289252
Energy: -0.11366476442301078
Energy: 0.25991220211881166
Energy: -0.1136647681508977
Energy: -0.19686306281005814
Energy: 0.2699339105247551
Energy: -0.4105917810207773
Energy: 0.26993391051542437
Energy: -0.5337773501866547
Energy: 0.7052205843247489
Energy: -0.2579469881753613
Energy: 0.7052205843098196
Energy: 0.009786035836641421
Energy: 0.5782607793915527
Energy: -0.04313227633616463
Energy: 0.578260779435492
Energy: 0.5798441384822501
Energy: 1.2874890857264703
Energy: -0.05658010496493262
Energy: 1.2874890857237558
Energy: -0.40093149254037824
Energy: 1.2765150959905125
Energy: -0.11993531444670728
Energy: 1.2765150959894944
Energy: -0.21463677376596516
Energy: 1.2445331525184868
Energy: -0.1595698223880223
Energy: 1.2445331525174688
Energy: 1.1568723371817915
Energy: -0.42614418081665917
Energy: -0.3192622876390264
Energy: -0.4261436219591794
Energy: -0.2639701834948359
Energy: -0.3658937960576414
Energy: 0.26785300743346974
Energy: -0.3658550728607794
Energy: 0.2534189724898714
Energy: 0.683129723296853
Energy: -0.4458774031760134
Energy: 0.6831297233005853
Energy: 0.2630965078375612
Energy: -0.29429243906863556
Energy: -0.20946501655882158
Energy: -0.2942924390705017
Energy: -0.5344895337637284
Energy: 0.38433715278825764
Energy: 0.2919611213828623
Energy: 0.38433715278740943
Energy: 0.44185815512376264
Energy: 0.10849038834493867
Energy: 0.2900713078724671
Energy: 0.1084903883457869

minimum gb energy = -0.9002934634420466 eV
minimum distance =  2.28546545835762 Angstroms
sigma value = 41


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

Energy: 1.1134116786870787
Energy: -0.23116634980789508
Energy: -0.07344180885529941
Energy: -0.11693203327473989
Energy: -0.6496133186418822
Energy: 0.6275150628115991
Energy: -0.079852100647932
Energy: 0.6275150628115991
Energy: -0.41186767763606186
Energy: 0.5136611741973728
Energy: -0.8170539177726402
Energy: 0.5136611741820735
Energy: 1.076327266825596
Energy: 0.3109101328900488
Energy: 1.0149012697852826
Energy: 0.3109101330047941
Energy: -1.0728163409399396
Energy: 1.1281526267096489
Energy: -0.8357021927398748
Energy: 1.1281526267096489
Energy: -0.27296487234702066
Energy: 1.162964881391527
Energy: -0.5473531951086367
Energy: 1.162964881391527
Energy: -0.6585872047499185
Energy: 1.162510482157201
Energy: -0.7394543009577466
Energy: 1.162510482157201
Energy: -0.5359830237181431
Energy: 1.1475790538861639
Energy: -0.30923955330792147
Energy: 1.1475790538786532
Energy: -1.0093134926581782
Energy: 1.127893152255758
Energy: -0.6930837085487789
Energy: 1.127893152255758
Energy: -0.25379894158099164
Energy: 1.069050176227785
Energy: -1.044347827031044
Energy: 1.069050176227785
Energy: -0.6276987019066276
Energy: 0.22326464641146934
Energy: -0.44495193791137894
Energy: 0.22326464271069288
Energy: -1.0410150381868186
Energy: -0.24219977495334322
Energy: -0.5549161272323583
Energy: -0.5513080264145184
Energy: -0.8190239279608965
Energy: 0.4773296823188664
Energy: -0.5137596703950709
Energy: 0.47732968230356704
Energy: 0.06383904555845633
Energy: 0.026581062014773966
Energy: 0.5023761508787319
Energy: 0.026581062022423645
Energy: 0.17772121957586592
Energy: 0.23933550549885277
Energy: -0.9432278385370777
Energy: 0.23933550550650246
Energy: 0.18181662623144637
Energy: 0.049249840917788834
Energy: 0.41875321690263256
Energy: 0.049249840917788834
Energy: -0.3057805638132288
Energy: 0.03776055473659945
Energy: -0.16003422221935376
Energy: 0.03776055480544658
Energy: 0.11817151816448737
Energy: 0.632899520262597
Energy: -0.678239102798087
Energy: 0.632899520262597
Energy: -0.7566199396799902
Energy: 0.6227243317345357
Energy: 1.1075981381232207
Energy: 0.6227243317345357
Energy: -0.6915206380170874
Energy: 0.6219649597710386
Energy: 1.246716121273239
Energy: 0.6219649600768867
Energy: 0.7123998332228602
Energy: 1.1384175505413174
Energy: -1.0733416003035847
Energy: 1.138417550533668
Energy: -0.6809799281574723
Energy: 1.073649416486127
Energy: -0.31289342002373205
Energy: 1.0736494164937769
Energy: -0.9106516982387841
Energy: 1.190221714558673
Energy: -0.4777154306020175
Energy: 1.190221714558673
Energy: -0.48014939246370225
Energy: 1.1486013354505482
Energy: -0.3492978196481675
Energy: 1.1486013354505482
Energy: -0.8424841542567093
Energy: 0.648090876266993
Energy: 0.22262375336869233
Energy: 0.648090876266993
Energy: -0.025700241778184
Energy: 0.5663384327173109
Energy: -1.2195693960174778
Energy: 0.5663384327173109
Energy: -0.10958712161499999
Energy: -0.32932177882791225
Energy: -0.21700129859048525
Energy: -0.32929120613819746
Energy: -0.6732050624147549
Energy: 0.5305967916629124
Energy: 0.5237062546116459
Energy: 0.5305967628440615
Energy: 0.5277820870959891
Energy: 0.05060690011484291
Energy: -0.49539532599312036
Energy: 0.05060690013014227
Energy: 1.4335905493396914
Energy: 0.07191499604770105
Energy: 0.21113450190648306
Energy: 0.07191499603240167
Energy: -0.41213659637049765
Energy: 0.261900777948686
Energy: 0.36879085338602186
Energy: 0.261900777948686
Energy: 0.5505543754772865
Energy: 0.046574766004470775
Energy: 0.11681915282280267
Energy: 0.046574765996821095

minimum gb energy = -1.2195693960174778 eV
minimum distance =  2.27641983677775 Angstroms
sigma value = 15


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

Energy: 1.227274858740504
Energy: -0.11123516146859766
Energy: 0.06330398748519918
Energy: -0.10528997884238821
Energy: -0.6900434619631293
Energy: 0.4384746981713955
Energy: -0.08262199775948728
Energy: 0.4384746981259152
Energy: -0.2212439312734274
Energy: -0.03637464865600902
Energy: -0.4484333692996599
Energy: -0.036374649783119405
Energy: 0.48029653639419684
Energy: 0.32652718976973805
Energy: 0.11729522462351577
Energy: 0.3265271894457203
Energy: -0.7808297667217586
Energy: 1.0533346022682413
Energy: -0.5221463845413794
Energy: 1.0533346022682413
Energy: -0.3681346801312517
Energy: 1.0415986662875374
Energy: -0.790025981915492
Energy: 1.0415986662875374
Energy: 0.2827426322443519
Energy: 1.0214267470012732
Energy: -1.440755114638869
Energy: 1.0214267470012732
Energy: -0.7868087752248643
Energy: 1.0414858078191345
Energy: -0.08345672959102125
Energy: 1.0414858078125364
Energy: 1.0579259432583716
Energy: 1.066707840993956
Energy: -0.6303257476508033
Energy: 1.0667078410005542
Energy: -0.19106971809139042
Energy: 1.0651732233405249
Energy: -1.3305394414880776
Energy: 1.0651732233405249
Energy: -0.8783155622291873
Energy: 1.0151914527261978
Energy: 0.08480869419500767
Energy: 1.0151914527325603
Energy: -0.7231543952404543
Energy: 0.996057820243231
Energy: -0.012496636413118723
Energy: 0.9960578202366329
Energy: -0.6159381969627099
Energy: 0.5823167435181674
Energy: -0.3462984092142909
Energy: 0.5823167422162054
Energy: -0.6764827640502471
Energy: 0.40307654665376014
Energy: -0.12539731405780508
Energy: 0.40307654669264226
Energy: 0.5512294510722534
Energy: 0.7343288424065795
Energy: -0.22567734338431494
Energy: 0.7343288424129422
Energy: -0.05191403911162528
Energy: -0.2241330402825743
Energy: 1.057343382616712
Energy: -0.22413304029553502
Energy: 0.09616992009316709
Energy: -0.028257758919846183
Energy: 0.4037055924169008
Energy: -0.02825775892620871
Energy: 0.43326701733917156
Energy: 0.26953049058970935
Energy: -0.14300570715694907
Energy: 0.26953049060903256
Energy: 0.14262470677643493
Energy: -0.09954306583884284
Energy: 1.4153654207651991
Energy: -0.09954306583884284
Energy: 0.3689553028666001
Energy: -0.008783250866362098
Energy: -0.33001847153999475
Energy: -0.00878325085976392
Energy: -0.3238405354122243
Energy: 0.6043314839889737
Energy: 0.437852364794572
Energy: 0.6043314839953362
Energy: -0.594055520421958
Energy: 0.40874156991378363
Energy: -0.09011941759071906
Energy: 0.4087415699074211
Energy: -0.6517367007987889
Energy: 0.5611119826680814
Energy: -0.5377633858828489
Energy: 0.5611119826357976
Energy: -0.5454476154057141
Energy: 1.0526629573458777
Energy: -1.2136115923239825
Energy: 1.0526629573522401
Energy: -0.6270199920305124
Energy: 0.5721491312693651
Energy: 0.8605964839705931
Energy: 0.5721491312630024
Energy: -0.7282597040661128
Energy: 1.0711812622388628
Energy: -1.0516424103888744
Energy: 1.0711812622388628
Energy: 0.12088137392853639
Energy: 1.0695420497392683
Energy: -0.7643089705172607
Energy: 1.0695420497329056
Energy: -0.643356409315165
Energy: 1.0499166736650856
Energy: -0.49507872237448347
Energy: 1.0499166736650856
Energy: -0.17494327883136365
Energy: 1.0328176723130333
Energy: -0.4895244369566003
Energy: 1.0328176723130333
Energy: 1.2416339059363801
Energy: 0.9892730614136732
Energy: -0.8882584011606867
Energy: 0.9892730614136732
Energy: -1.0010304179118963
Energy: 0.9741741162125793
Energy: -0.25030318638213545
Energy: 0.9741741162189418
Energy: 0.2471001617143038
Energy: 0.4983604745924594
Energy: -0.3562866906602358
Energy: 0.49836047458586125
Energy: -0.8317132709826213
Energy: -0.5837191496122347
Energy: -0.2759174726477371
Energy: -0.5609504921268501
Energy: -0.57150673208465
Energy: -0.27943434094193176
Energy: -0.3902377615684256
Energy: -0.27943434106494064
Energy: 0.4646577543422583
Energy: -0.21844598444026078
Energy: 0.30914331152001784
Energy: -0.21844598442070187
Energy: -0.007513177711762539
Energy: 0.02710152354411653
Energy: 0.20524816441905117
Energy: 0.027101523518195114
Energy: -0.18821949406350968
Energy: -0.06721058364733716
Energy: 0.04665079244592538
Energy: -0.06721058364733716

minimum gb energy = -1.440755114638869 eV
minimum distance =  2.28068468471324 Angstroms
sigma value = 85


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

Energy: 1.4592391740347292
Energy: -1.1672579865662498
Energy: -0.38534446477098344
Energy: -0.6994687977361078
Energy: -0.06706718100995757
Energy: -0.6573726053467417
Energy: -0.006676842079744183
Energy: -0.657373066977532
Energy: 0.10572655218866288
Energy: 0.03487691308593544
Energy: -0.8666933888370126
Energy: 0.03487691309155587
Energy: 0.20615240691132192
Energy: -0.18780753417166096
Energy: -0.7134764289640297
Energy: -0.1878075333683492
Energy: -0.12809608070043638
Energy: 0.6913374043024983
Energy: -1.0088815662710608
Energy: 0.6913374043024983
Energy: 0.02177467539931702
Energy: 0.8552930553941185
Energy: -0.6428941678724271
Energy: 0.8552930553941185
Energy: -0.37548012483506504
Energy: 0.6962581651555871
Energy: -0.3001384657403087
Energy: 0.6962581651555871
Energy: -0.2074679286554178
Energy: 0.8900854310862919
Energy: -0.5905917327590418
Energy: 0.8900854310862919
Energy: -0.4783611563871214
Energy: 0.8934775653675804
Energy: -0.3227429043935131
Energy: 0.8934775653675804
Energy: -0.3314100800095555
Energy: 0.90380012668549
Energy: -0.310320189705594
Energy: 0.9038001266798696
Energy: -0.4910404811437914
Energy: 0.8540609491599284
Energy: -0.5932755526681567
Energy: 0.8540609491599284
Energy: -0.5479687286085742
Energy: 0.9030062866501172
Energy: -0.20079336914259754
Energy: 0.9030062866501172
Energy: -0.3950591761461642
Energy: 0.8387918220773153
Energy: -0.04244766217308455
Energy: 0.8387918220773153
Energy: -0.6068305799050714
Energy: 0.7397362269973486
Energy: 0.07764768534585628
Energy: 0.7397362270198304
Energy: -0.9868317011609299
Energy: 0.8503612984699762
Energy: -0.31527860406183417
Energy: 0.8503612984699762
Energy: 0.477961666171179
Energy: -0.3774393697966095
Energy: -0.2484788908281064
Energy: -0.3774396258953755
Energy: -1.046427075302739
Energy: -0.015052851351100028
Energy: -0.2816549883660869
Energy: -0.01505285115448741
Energy: -1.0972591743976146
Energy: -0.8909397076421978
Energy: -0.07510776086747352
Energy: -0.890939701872578
Energy: 0.006713178403440293
Energy: -0.898000124897104
Energy: 0.44222935877414177
Energy: -0.8980001255656277
Energy: -1.1663784959306807
Energy: 0.025986628053512754
Energy: 0.38504384025780664
Energy: 0.025986628306329602
Energy: -0.8618506501068499
Energy: -0.8630067701326702
Energy: -0.08836250348251423
Energy: -0.8630067700540865
Energy: -0.8608000555388465
Energy: -0.29199259083871504
Energy: 0.20632581704711364
Energy: -0.29199259083309465
Energy: 0.14816546100748998
Energy: -1.1977513826009518
Energy: 0.2488920030251885
Energy: -1.1977513826065727
Energy: -0.6461790061330622
Energy: -0.5847234754663653
Energy: -0.31619941616251956
Energy: -0.5847234870168455
Energy: -0.6116058467782519
Energy: -1.0053249991890454
Energy: 0.07466522864810266
Energy: -1.0053480015412906
Energy: -0.6595285361605177
Energy: -0.6518541937022958
Energy: -0.1788335803182965
Energy: -0.6527008311852076
Energy: -0.6931902588652208
Energy: 0.7136740302120084
Energy: -0.08510174892308091
Energy: 0.7136740302176289
Energy: -0.2688825407634629
Energy: 0.5764404746005661
Energy: -0.44973726233628614
Energy: 0.5764404746005661
Energy: -0.596805969709838
Energy: 0.7365747831989896
Energy: -0.10268316812524025
Energy: 0.7365747831989896
Energy: -0.6211750013540559
Energy: 0.8943252814870329
Energy: -0.0988625264395279
Energy: 0.8943252814870329
Energy: -0.29988981341661164
Energy: 0.8726874134782702
Energy: -0.3080572176165326
Energy: 0.8726874134782702
Energy: -0.48695765356689097
Energy: 0.8931454766937557
Energy: -0.1707526990325502
Energy: 0.8931454766937557
Energy: -0.26561797196360615
Energy: 0.9060329299469787
Energy: -0.6854574666712693
Energy: 0.9060329299469787
Energy: -0.1352683842667554
Energy: 0.8391024210316276
Energy: -0.7873478276367035
Energy: 0.8391024210316276
Energy: -0.14319530324266028
Energy: 0.28588011492699034
Energy: -0.653195881700931
Energy: 0.2858801149213699
Energy: 0.05573356070024779
Energy: 0.7944426130485116
Energy: -0.8265130069509349
Energy: 0.7944426130485116
Energy: 0.10976010566916092
Energy: 0.39940760599432995
Energy: -0.5440936654354843
Energy: 0.3994076060111912
Energy: -0.14975403539463758
Energy: 0.14216727749281086
Energy: -0.9220906037917196
Energy: 0.14216727749843128
Energy: -0.2642055291708568
Energy: -1.1076160622425655
Energy: -0.8945817851683289
Energy: -1.1076212819490714
Energy: 0.2256195895946986
Energy: -1.2600681312786035
Energy: 0.08545317060057658
Energy: -1.2600681552278392
Energy: 0.4170379391046062
Energy: -0.30294665469285187
Energy: -0.1487439875361555
Energy: -0.3029466546872315
Energy: -0.14502073459483422
Energy: -0.9117007282784826
Energy: 0.18700779114360908
Energy: -0.9117007282784826
Energy: -0.1020000240711964
Energy: -0.9203546874846454
Energy: -0.8105517032913597
Energy: -0.9203546876250538

minimum gb energy = -1.2600681552278392 eV
minimum distance =  2.22871788067202 Angstroms
sigma value = 113


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

Energy: 0.058461009804023675
Energy: 0.5106493166075081
Energy: 1.594195922282071
Energy: 0.05967505282544475
Energy: -0.1164837649311002
Energy: -2.6220472118895453
Energy: -2.677242863671195
Energy: -2.622047142445598
Energy: -0.8607656701303247
Energy: -2.2893979426621436
Energy: -0.5495823260775883
Energy: -2.2893979453732323
Energy: 0.06189056193979436
Energy: -0.5050601436286535
Energy: -0.6586233106624525
Energy: -0.5050601436286535
Energy: -0.19073958239885222
Energy: -2.2438374266263987
Energy: -2.3832228938221833
Energy: -2.2438374266221746
Energy: -0.5415207860896737
Energy: -0.5059119868409107
Energy: -2.9123945631603143
Energy: -0.5059119868451354

minimum gb energy = -2.9123945631603143 eV
minimum distance =  2.39478101348599 Angstroms
sigma value = 1