Model name: model_name=EAM_Dynamo_ZhouZimmermanWong_2008_PdH__MO_114797992931_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.884858903288844
cohesive_energy=3.9107257844470262
mass=106.42
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=[9.87708249151686e-20, 1.6354698644545198e-19, 2.2192229210524197e-19, 2.7662701109653797e-19, 3.24194033183364e-19, 3.6551256639759e-19, 4.0101359625376197e-19, 4.31262691103682e-19, 4.56935969486898e-19, 4.786823129401799e-19, 4.97056074578892e-19, 5.12497852977384e-19, 5.305335553463219e-19, 5.482408115052899e-19, 5.641504254809099e-19, 5.78010855541644e-19, 5.899086192257279e-19, 5.999831059003199e-19, 6.08335252693362e-19, 6.15037157553384e-19, 6.201497031924779e-19, 6.237289657928339e-19, 6.258310215366419e-19, 6.265183553126279e-19, 6.25776547531086e-19, 6.233796912866219e-19, 6.190265773720439e-19, 6.120843460169219e-19, 6.03208287464562e-19, 5.918857051920839e-19, 5.76985462495884e-19, 5.57528629452588e-19, 5.32470586896828e-19, 5.00547217464378e-19, 4.60141924931532e-19, 4.0918469708716194e-19, 3.45075201254286e-19, 2.64597868928466e-19, 1.6383537823957198e-19, 4.0695446721263395e-20, -1.140432532434468e-19, -3.08391765042222e-19, -5.5368821206089e-19, -8.672437923944939e-19, -1.272810774642084e-18, -1.80598952361114e-18, -2.5183012333212e-18, -3.5006918582246395e-18]
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: 0.013059439296477635
Energy: 6.2696533931954965
Energy: 0.40523541931463725
Energy: 0.01365363430878916
Energy: 6.270434363774175
Energy: 0.5212393820363379
Energy: 0.01365363430878916
Energy: 0.5212393820357947
Energy: 0.4052354192891716
Energy: 0.01365363430878916
Energy: 0.013059439296477635
Energy: 6.274010054295304
Energy: 0.01365363430878916
Energy: 0.5212393820341955
Energy: 6.269954648162492
Energy: 0.5212393820326265

minimum gb energy = 0.013059439296477635 eV
minimum distance =  2.62370075952533 Angstroms
sigma value = 1


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

Energy: 0.8639435932306931
Energy: 1.4030397440364832
Energy: 0.6790593119450501
Energy: 2.1211802274185576
Energy: 2.5216530688602328
Energy: 0.6915374354304039
Energy: 2.167921640931768
Energy: 0.6915374354910014
Energy: 0.6784113070493095
Energy: 2.1640336351632605
Energy: 0.9479902948527366
Energy: 2.1640336351612843
Energy: 2.0960078723560818
Energy: 0.6348652738078466
Energy: 1.3693499305381265
Energy: 0.6348652738098226
Energy: 0.8052613027500478
Energy: 2.0838893564290193
Energy: 0.6320333852463321
Energy: 2.0838893564138696
Energy: 1.4103796551502084
Energy: 0.6524174116016531
Energy: 0.6366608282838994
Energy: 0.6524174116003358
Energy: 0.6468421493887232
Energy: 0.6532399971673906
Energy: 0.8049254876637079
Energy: 0.653239997168708
Energy: 0.6606006075061552
Energy: 0.6668310074225936
Energy: 0.6942197757975683
Energy: 0.6668310074225936
Energy: 0.7044924196739671
Energy: 0.6577217318357957
Energy: 1.3091114679333693
Energy: 0.6577217318344785
Energy: 0.6980240789752417
Energy: 0.6749150356659893
Energy: 0.6743783583193961
Energy: 0.6749150356653306
Energy: 0.7430307598184767
Energy: 0.6570636333492688
Energy: 0.7043805298002651
Energy: 0.6570636333492688
Energy: 1.3629425002503637
Energy: 0.6576572910925337
Energy: 0.6908943403173378
Energy: 0.6576572910925337
Energy: 0.645940182770193
Energy: 1.3646117813735739
Energy: 2.0397768778691203
Energy: 1.3646117813762084
Energy: 1.3910566854174284
Energy: 0.6539502739281735
Energy: 0.6308077592841719
Energy: 0.6539502739281735
Energy: 0.8614695316271419
Energy: 0.630734884989419
Energy: 0.6303816115369959
Energy: 0.630734884957803
Energy: 0.6781713806779641
Energy: 0.6327374891988093
Energy: 0.6344046996603664
Energy: 0.6327374643826297
Energy: 0.678193241590967
Energy: 2.869836300291827
Energy: 2.177112993212313
Energy: 2.869836300281318
Energy: 0.6351535357324831
Energy: 0.6336218645336001
Energy: 1.3706952348381918
Energy: 0.6336218645599468
Energy: 0.6361828183600359
Energy: 1.4433746616239729
Energy: 0.6791234638948944
Energy: 1.4433746608016549
Energy: 0.6588547068629712
Energy: 0.632270330464882
Energy: 0.6376645893813117
Energy: 0.632270330462906
Energy: 0.6330482861166536
Energy: 2.1168798913636167
Energy: 0.8035313655144867
Energy: 2.1168798913609823
Energy: 0.635272217849569
Energy: 0.6324909733633961
Energy: 2.0989103576516173
Energy: 0.6324909733594439
Energy: 0.8043391585608783
Energy: 0.6537996003384126
Energy: 0.6499200543191028
Energy: 0.6537996003384126
Energy: 0.6949862362730502
Energy: 0.6525994276960452
Energy: 0.6569826082118714
Energy: 0.6525994276953865
Energy: 1.329482066735416
Energy: 0.6593736258126676
Energy: 0.7042563274950252
Energy: 0.6593736258133263
Energy: 0.6763797162963611
Energy: 0.6574258109581282
Energy: 0.6977662031262074
Energy: 0.6574258109574695
Energy: 0.7043524985921964
Energy: 0.6556779899736019
Energy: 0.7039378542419438
Energy: 0.6556779899736019
Energy: 0.6761789873775873
Energy: 0.6583720764334036
Energy: 1.3695603207736038
Energy: 0.658372076434721
Energy: 2.037951869517608
Energy: 1.368582364880697
Energy: 0.6456737449537725
Energy: 1.36858236466148
Energy: 0.6317198415629001
Energy: 0.6516701474949241
Energy: 0.659811150224728
Energy: 0.6516701474975589
Energy: 0.629997105925113
Energy: 0.6309193728809268
Energy: 0.6303952762227494
Energy: 0.6309193728691007
Energy: 0.634407334569527
Energy: 1.4268704983961673
Energy: 2.123670074321838
Energy: 1.42687042983418
Energy: 2.170942421361261
Energy: 1.4342235851578877
Energy: 0.6784226440223722
Energy: 1.4342235851499838

minimum gb energy = 0.629997105925113 eV
minimum distance =  0.934031708716101 Angstroms
sigma value = 1


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

Energy: 0.9975677466169831
Energy: 0.7060398401551682
Energy: 0.7058457467119472
Energy: 2.322326376675096
Energy: 1.113692544522357
Energy: 0.7155047752155036
Energy: 2.334482588455497
Energy: 0.7155047752185076
Energy: 0.7050931279708734
Energy: 2.4047149218910233
Energy: 0.9104365777692085
Energy: 2.4047149218865176
Energy: 2.3238789589608952
Energy: 0.6527304478106851
Energy: 2.365272649413181
Energy: 0.6527304478091832
Energy: 0.910646139435508
Energy: 2.315459192427021
Energy: 0.653043382300827
Energy: 2.3154591924285226
Energy: 0.6849567921100983
Energy: 0.6817425971839877
Energy: 0.6567041437430973
Energy: 0.6817425971862405
Energy: 0.6791352616956231
Energy: 0.6934804867739218
Energy: 0.7645525255086306
Energy: 0.6934804867754238
Energy: 0.6853039174928538
Energy: 0.694862202170473
Energy: 0.6820102135002812
Energy: 0.694862202170473
Energy: 0.7655741534094002
Energy: 0.6894976397022374
Energy: 0.707147395368682
Energy: 0.6894976396939765
Energy: 0.7185018105626035
Energy: 0.6893013193395665
Energy: 0.6885470649405694
Energy: 0.6893013193388156
Energy: 0.6538992145968257
Energy: 0.6944461700547185
Energy: 0.6796987616951298
Energy: 0.6944461700562204
Energy: 0.6562365494403748
Energy: 0.6808558124632952
Energy: 0.6877320935734367
Energy: 0.6808558124587892
Energy: 0.6510572624880786
Energy: 1.515967477768711
Energy: 0.821430837270109
Energy: 1.515967477828757
Energy: 0.6567911656238075
Energy: 1.5350745082823347
Energy: 0.6785111853856367
Energy: 1.5350745585490753
Energy: 0.6557803467012953
Energy: 3.1929261482191165
Energy: 0.7053944569412047
Energy: 3.1929261481365407
Energy: 0.653794591034171
Energy: 0.6531546159625309
Energy: 1.4937020405954062
Energy: 0.6531546159557717
Energy: 0.7067641193912388
Energy: 2.3361336972183633
Energy: 0.6571871286187977
Energy: 2.336446897365649
Energy: 0.6575616976536677
Energy: 0.6535305502662456
Energy: 0.6855647805780072
Energy: 0.6535305502692497
Energy: 0.652826297584179
Energy: 0.6560019969154701
Energy: 0.6552316482488922
Energy: 0.6560019968996991
Energy: 2.32700692898749
Energy: 0.6524195901484058
Energy: 0.6589191738857288
Energy: 0.6524195901491566
Energy: 0.6810652692701952
Energy: 0.6824352988273793
Energy: 0.7646504012208054
Energy: 0.6824352988303833
Energy: 0.6839978819433818
Energy: 0.6835113400110298
Energy: 0.6809910393523185
Energy: 0.6835113400132827
Energy: 0.7656133559663456
Energy: 0.6881926369431058
Energy: 0.7069037908519177
Energy: 0.6881926369423548
Energy: 0.6861385373432285
Energy: 0.6901537985915289
Energy: 1.449202894098145
Energy: 0.6901537985922798
Energy: 0.6538627973590705
Energy: 0.6888687403033653
Energy: 0.6790295354685297
Energy: 0.6888687403063694
Energy: 0.6525311451489613
Energy: 0.6773178186304006
Energy: 0.68628199263387
Energy: 0.6773178186273966
Energy: 0.6515014542361576
Energy: 0.6516896971596142
Energy: 0.6539476655515261
Energy: 0.651689697167841
Energy: 0.655942039990497
Energy: 0.6519911461056337
Energy: 2.300474619765787
Energy: 0.6519911859719424
Energy: 0.6549532113944029
Energy: 2.4037772160307873
Energy: 0.7066901284901902
Energy: 2.4037772160382973

minimum gb energy = 0.6510572624880786 eV
minimum distance =  0.928322415209505 Angstroms
sigma value = 25


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

Energy: 0.9524682903314048
Energy: 0.7341699208800899
Energy: 0.7351541326592445
Energy: 0.6732382580228432
Energy: 0.6755647750375892
Energy: 0.7380818410725918
Energy: 2.6480602663286645
Energy: 0.7380818410734649
Energy: 0.733848478218752
Energy: 1.7202032104315583
Energy: 0.8611439652646163
Energy: 1.7202512535847885
Energy: 2.602451299194766
Energy: 0.6741795513734241
Energy: 2.6671691989232733
Energy: 0.6741795513734241
Energy: 0.8617134541089331
Energy: 0.6745323166935029
Energy: 0.6760086225643
Energy: 0.674532316691757
Energy: 0.707069765684479
Energy: 0.7436273795054315
Energy: 0.6751313861103136
Energy: 0.7436273795063045
Energy: 1.525772314701345
Energy: 0.7251153096166648
Energy: 0.7246865417547008
Energy: 0.7251153096166648
Energy: 0.7093617313402075
Energy: 0.7349204043228584
Energy: 0.689164553047936
Energy: 0.7349204043158744
Energy: 0.7253180756633159
Energy: 0.7267295734887856
Energy: 0.772707004904373
Energy: 0.7267295734896586
Energy: 0.7058030520762132
Energy: 0.7262457842332708
Energy: 1.6162242733916263
Energy: 0.7262457842315247
Energy: 2.5011521382820443
Energy: 0.6735808163369285
Energy: 0.6728376951192369
Energy: 0.6735808163360555
Energy: 0.6697533824400952
Energy: 1.6730808845174565
Energy: 1.6973654790959276
Energy: 1.6730812751562312
Energy: 0.7333666021338741
Energy: 1.6129104930917295
Energy: 0.6714458865324983
Energy: 1.6129107116924226
Energy: 1.720437068912827
Energy: 0.6744414614805131
Energy: 2.6430744236863704
Energy: 0.6744414614787669
Energy: 0.6753211276306119
Energy: 1.7323758268956324
Energy: 0.7374387475684457
Energy: 1.7323767612751233
Energy: 0.7095097818250473
Energy: 0.6744230178025836
Energy: 0.6812136649305869
Energy: 0.6744230178025836
Energy: 0.6766576713554894
Energy: 0.6742660053829482
Energy: 0.7495144698152154
Energy: 0.6742660053855672
Energy: 0.6750651037432776
Energy: 0.6732107277709188
Energy: 2.579504892662785
Energy: 0.6732107277700458
Energy: 0.7245954890891854
Energy: 0.7396105193090221
Energy: 1.5312098972350499
Energy: 0.7396105193098952
Energy: 0.6893407917851552
Energy: 0.7255270220839031
Energy: 0.7061162760351667
Energy: 0.7255270220839031
Energy: 0.7693259089802583
Energy: 0.7257242053324956
Energy: 0.7252152645458129
Energy: 0.7257242053333685
Energy: 0.6816873893167549
Energy: 0.7269355500549705
Energy: 0.7074722313407695
Energy: 0.7269355500549705
Energy: 0.6718998975913663
Energy: 0.6962936418515594
Energy: 2.5024975889220293
Energy: 0.6962936418541784
Energy: 0.677203595394726
Energy: 1.662571148207074
Energy: 0.6683915773240001
Energy: 1.6666376395375253
Energy: 0.6695880315804313
Energy: 0.7329611091553148
Energy: 0.7322425027816624
Energy: 0.7329611091674972

minimum gb energy = 0.6683915773240001 eV
minimum distance =  2.46770342978335 Angstroms
sigma value = 9


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

Energy: 0.9678591522469391
Energy: 0.7792288018011673
Energy: 0.7820487901513178
Energy: 0.7302690159646306
Energy: 1.3433328305914192
Energy: 0.7754921870127855
Energy: 2.536563995191598
Energy: 0.7754921870107025
Energy: 0.7860297903069432
Energy: 1.3836503348327975
Energy: 0.8138995867948313
Energy: 1.3836503356281074
Energy: 0.72834236427747
Energy: 0.7447719835483627
Energy: 1.907028044529097
Energy: 0.7447719835639608
Energy: 0.845660512735893
Energy: 0.7232191448615873
Energy: 0.7257981821044397
Energy: 0.7232191448605458
Energy: 0.7285469406685102
Energy: 0.8006971359454208
Energy: 0.7323822951585
Energy: 0.8006971359443795
Energy: 0.7645949917343317
Energy: 0.7752258803431923
Energy: 0.828726491098534
Energy: 0.7752258803421508
Energy: 1.280385692494277
Energy: 0.7767890795316384
Energy: 0.7308830706896425
Energy: 0.7767890795316384
Energy: 0.7472421280428286
Energy: 0.7680875836685596
Energy: 0.7029195414323718
Energy: 0.7680875836675181
Energy: 0.7315065561050724
Energy: 0.7522313488603845
Energy: 0.7011682759486457
Energy: 0.752231348859343
Energy: 0.8809802144257737
Energy: 0.6791663040230171
Energy: 0.6938974415342855
Energy: 0.6791663040219758
Energy: 2.403208149803038
Energy: 0.678869139001882
Energy: 0.6948493173598815
Energy: 0.678869139001882
Energy: 0.8111999558987975
Energy: 0.8068573686759372
Energy: 0.810825446983233
Energy: 0.8068573686769785
Energy: 0.7340538333458583
Energy: 0.7521218999776581
Energy: 0.7290605169997018
Energy: 0.7521218999797409
Energy: 0.8453860575667945
Energy: 0.7367975801383619
Energy: 0.7302957827201924
Energy: 0.7367975801394032
Energy: 0.7389971365649417
Energy: 0.7332801591796869
Energy: 0.7305654305482657
Energy: 0.7332801591901014
Energy: 0.7467066779408381
Energy: 0.7989086252526033
Energy: 0.8242901441862701
Energy: 0.7989086252536447
Energy: 0.7411964737251473
Energy: 0.7886374147986066
Energy: 0.7333568813316247
Energy: 0.7886374147986066
Energy: 0.7190122470119311
Energy: 0.7204425432024958
Energy: 0.7014043574401297
Energy: 0.7204425432222833
Energy: 0.734128141618894
Energy: 1.324165486262475
Energy: 0.7014122343822519
Energy: 1.3241742582459362
Energy: 0.7259525498117946
Energy: 1.3121623501986657
Energy: 0.7750949626489714
Energy: 1.3121626373812032

minimum gb energy = 0.678869139001882 eV
minimum distance =  0.939217159260636 Angstroms
sigma value = 25


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

Energy: 0.7966819013712332
Energy: 0.7942306331580242
Energy: 0.7957311230536065
Energy: 0.700242959008014
Energy: 2.30459259797655
Energy: 0.7481496657117424
Energy: 3.5266148919585194
Energy: 0.7481496657104544
Energy: 0.793292088684893
Energy: 3.5285440491073166
Energy: 0.860825746352213
Energy: 3.528544049104741
Energy: 0.7890104280032162
Energy: 0.748659683536583
Energy: 0.7253200320345052
Energy: 0.7486596835352951
Energy: 0.7436856833987936
Energy: 0.7748381017048455
Energy: 1.9441883966455893
Energy: 0.7748381017061334
Energy: 0.6928376423029253
Energy: 0.7750004420073664
Energy: 0.7126215814001894
Energy: 0.7750004420060786
Energy: 0.7976636541294364
Energy: 2.120893894705766
Energy: 0.7455449312032739
Energy: 2.120893895081701
Energy: 0.692740585332348
Energy: 0.7642904364476341
Energy: 0.7153079001510843
Energy: 0.7642904364527858
Energy: 0.7851667214872132
Energy: 0.7923648418154837
Energy: 3.3825212293259694
Energy: 0.7923648418154837
Energy: 0.7159171133902885
Energy: 0.7849885535447446
Energy: 0.7867833637483502
Energy: 0.7849885535421688
Energy: 0.8412995052931278
Energy: 2.1746073535953268
Energy: 0.7932866869761072
Energy: 2.1746073466705136
Energy: 0.6919143941584147
Energy: 0.7510609886178142
Energy: 0.7872304818346645
Energy: 0.7510609886178142
Energy: 0.712755228386669
Energy: 0.775043596179018
Energy: 0.743063176521424
Energy: 0.77504359617773
Energy: 1.9419497875528806
Energy: 0.7629454202284532
Energy: 0.6955419450287688
Energy: 0.7629454202297412
Energy: 0.7447177613864235
Energy: 0.7614303491318293
Energy: 0.6920366037954873
Energy: 0.7614303491318293
Energy: 0.7127053277721357
Energy: 2.1199557737017205
Energy: 0.6938680269777495
Energy: 2.119955774439394
Energy: 3.392996374558504
Energy: 0.7850595586490156
Energy: 0.7838907854397585
Energy: 0.7850595586657296

minimum gb energy = 0.6919143941584147 eV
minimum distance =  2.44672739293603 Angstroms
sigma value = 17


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

Energy: 2.3762097681958174
Energy: 0.862222229534245
Energy: 0.8650327085410717
Energy: 0.7974987224157896
Energy: 0.7865211861161375
Energy: 0.745421420856206
Energy: 2.403506925671833
Energy: 0.7454214208591236
Energy: 0.7567442094236372
Energy: 1.6133988308252831
Energy: 2.290122835782839
Energy: 1.6133988307932212
Energy: 0.7499427333632653
Energy: 0.7911166413379436
Energy: 0.7571362265167413
Energy: 0.7911166413372142
Energy: 2.159342019981554
Energy: 0.8251032668555194
Energy: 0.7192690959801331
Energy: 0.82510326685479
Energy: 0.7591419849209932
Energy: 0.8204092756936472
Energy: 1.5135341745484316
Energy: 0.8204092756936472
Energy: 0.7883821221598604
Energy: 0.7492838459376066
Energy: 0.7493816549764513
Energy: 0.7492838459368771
Energy: 2.3512455068718565
Energy: 0.7570753295445055
Energy: 0.7547072885689647
Energy: 0.7570753295437761
Energy: 0.8649835930052601
Energy: 1.6530228408043268
Energy: 0.7939669113114963
Energy: 1.653022840807974
Energy: 0.8499205610443994
Energy: 0.8131279342385879
Energy: 0.7542771951116571
Energy: 0.813127934237129
Energy: 0.8461458517563135
Energy: 0.7463615186192889
Energy: 0.7295591285005282
Energy: 0.7463615186185595
Energy: 0.7975679081603764
Energy: 0.7443642865631328
Energy: 0.7452158224310972
Energy: 0.7443642865624033
Energy: 0.788318441153557
Energy: 0.7438830211246915
Energy: 0.7433747451714269
Energy: 0.7438830211246915
Energy: 0.7887430768392489
Energy: 1.611613592636101
Energy: 0.7344628785646075
Energy: 1.6116135924931652
Energy: 0.849064905842207
Energy: 0.8498409392197516
Energy: 0.7985089161023202
Energy: 0.8498409392197516
Energy: 0.8731823130448957
Energy: 1.6605942932960722
Energy: 0.9283114890602973
Energy: 1.6605942928243276
Energy: 0.855638872772407
Energy: 1.5972188582932487
Energy: 0.756122619867131
Energy: 1.5972189002906836
Energy: 0.7943139834074946
Energy: 0.7492873258025078
Energy: 0.7475688434216257
Energy: 0.749287325803204
Energy: 0.7558943044916367
Energy: 0.8255638684596298
Energy: 0.7540857146729989
Energy: 0.8255638684596298
Energy: 0.7711126916859021
Energy: 0.8266229636502206
Energy: 0.7751508756804737
Energy: 0.8266229636516795
Energy: 0.7512439021681265
Energy: 0.7579749874524598
Energy: 0.7994779500273375
Energy: 0.7579749874524598
Energy: 0.766084525592717
Energy: 0.7515336283150889
Energy: 0.7892512223745696
Energy: 0.7515336283143594
Energy: 0.756490527579658
Energy: 0.7934373132578671
Energy: 1.6044887424579954
Energy: 0.7934373132585967
Energy: 0.7960003253985647
Energy: 0.8510593122023996
Energy: 0.8561861223074645
Energy: 0.8510593122023996
Energy: 0.7337408016810046
Energy: 0.7432181618042498
Energy: 2.288615179669589
Energy: 0.7432181618042498
Energy: 0.7443751457560309
Energy: 0.7439027309371933
Energy: 0.7985977188073258
Energy: 0.7439027309371933
Energy: 0.7332972303558687
Energy: 0.7315528223987693
Energy: 0.8058792431076693
Energy: 0.7315528224002282
Energy: 0.7312495758493488
Energy: 0.7442155777826752
Energy: 2.2015800204746507
Energy: 0.7442155777812164
Energy: 0.7335582541421873
Energy: 0.7451514431222747
Energy: 0.7866075475892459
Energy: 0.7451514431186276
Energy: 2.372475157755196
Energy: 0.8521622232148598
Energy: 0.8577413515182257
Energy: 0.8521622232141303

minimum gb energy = 0.7192690959801331 eV
minimum distance =  2.44744113366368 Angstroms
sigma value = 53


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

Energy: 1.0463839859878676
Energy: 2.5832739096986055
Energy: 0.7947421217813709
Energy: 0.6690413532833961
Energy: 2.6591510215886105
Energy: 0.7203305323046728
Energy: 2.373094776789436
Energy: 0.720330532306352
Energy: 0.7887607380716865
Energy: 0.7801918051791339
Energy: 0.804401543507288
Energy: 0.7801918051774545
Energy: 0.7836350653435182
Energy: 0.7202378249114377
Energy: 0.7771738097153194
Energy: 0.720237824913117
Energy: 0.7954922623829053
Energy: 0.7220628493355035
Energy: 0.6729785219689806
Energy: 0.7220628493355035
Energy: 0.7767966909495232
Energy: 0.7192381889807702
Energy: 0.6678823695948181
Energy: 0.7192381889807702
Energy: 0.9180587817076415
Energy: 2.590274205329094
Energy: 0.7843370294961574
Energy: 2.59027420533749
Energy: 0.9223389661332491
Energy: 0.7773428209476833
Energy: 0.7767387020040822
Energy: 0.7773428209476833
Energy: 0.786228430867168
Energy: 0.7789439194404534
Energy: 0.8032187472343236
Energy: 0.7789439194404534
Energy: 0.7769516851458534
Energy: 0.7220680967614871
Energy: 4.22531172795782
Energy: 0.7220680967631662
Energy: 0.7977931024058893
Energy: 0.7198502703731486
Energy: 0.6678356651100728
Energy: 0.7198502703748277
Energy: 0.7830620629062539
Energy: 0.7210334160822087
Energy: 0.6690068672172598
Energy: 0.7210334160805295
Energy: 0.9222426115402236
Energy: 2.52893108748663
Energy: 0.7758095881093285
Energy: 2.5289310874967064

minimum gb energy = 0.6678356651100728 eV
minimum distance =  0.938119402644093 Angstroms
sigma value = 9


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

Energy: 1.0339126915887595
Energy: 0.8963264067195205
Energy: 0.8989573054774387
Energy: 0.8198573245719071
Energy: 1.1760724382037815
Energy: 0.7444609184250883
Energy: 0.9317006799434367
Energy: 0.7444609184275744
Energy: 0.7427585242118433
Energy: 0.7395452912497282
Energy: 0.888995306887186
Energy: 0.7395452912515927
Energy: 0.7427820699831629
Energy: 0.740716699957466
Energy: 0.9467029980768857
Energy: 0.7407166999580875
Energy: 0.742129131029913
Energy: 0.7430793828476835
Energy: 2.0991040020593936
Energy: 0.743079382845819
Energy: 0.7425743396197731
Energy: 0.7426588036717443
Energy: 2.1082100020084145
Energy: 0.7426588036723659
Energy: 0.9328811668690986
Energy: 2.1996421497958663
Energy: 0.8831705327024367
Energy: 2.199642149872936
Energy: 0.9319090725640974
Energy: 0.8725435676607418
Energy: 0.8696062302045543
Energy: 0.8725435676626064
Energy: 0.7718781265341733
Energy: 0.8336507027941089
Energy: 0.8106235352086317
Energy: 0.833650702795352
Energy: 0.7537813413839531
Energy: 0.8318388386143486
Energy: 0.8810724885873025
Energy: 0.831838838613727
Energy: 0.7655023272018905
Energy: 0.7680842432191302
Energy: 2.1968329100440456
Energy: 0.7680842432209948
Energy: 0.787506122244635
Energy: 1.4812091025927434
Energy: 0.9510603448729616
Energy: 1.4812091025890142
Energy: 1.5562097509448323
Energy: 0.7672413435959149
Energy: 0.7815913606283799
Energy: 0.7672413436517961
Energy: 2.1804519674937692
Energy: 0.7677741487328011
Energy: 0.7682695961481408
Energy: 0.7677741487352874
Energy: 0.8733395611639495
Energy: 0.827857350211187
Energy: 0.7841403764669421
Energy: 0.8278573502105655
Energy: 0.8327365170504252
Energy: 0.8315618634958212
Energy: 0.7840370026753049
Energy: 0.8315618634970642
Energy: 1.4679132816133857
Energy: 0.8386708596897615
Energy: 1.512849587149426
Energy: 0.8386708596885185
Energy: 0.8778988011501745
Energy: 0.8728798079345625
Energy: 0.9485785124077692
Energy: 0.8728798079190243
Energy: 0.892547098015151
Energy: 0.7428935713821088
Energy: 0.7611911099104404
Energy: 0.7428935713814873
Energy: 0.8886071816822024
Energy: 0.7439725569768453
Energy: 0.744065142321039
Energy: 0.7439725569762237
Energy: 0.9343229425905786
Energy: 0.7402856627693171
Energy: 0.7433008573395853
Energy: 0.7402856627699387
Energy: 2.126093514182006
Energy: 0.7437870939684504
Energy: 0.7413473118228261
Energy: 0.7437870939696936
Energy: 2.1050627589976005
Energy: 0.7408220037239038
Energy: 0.7409880102081023
Energy: 0.7408220037207963
Energy: 0.8867723601283429
Energy: 2.1922536696338413
Energy: 0.8996566483494881
Energy: 2.19225382676956
Energy: 0.8696860459699917
Energy: 0.8705893054029219
Energy: 0.9318542372957829
Energy: 0.8705893114495633
Energy: 0.7915377888079163
Energy: 0.8310576337674941
Energy: 0.7670868404164757
Energy: 0.831057633776817
Energy: 0.8810856483634562
Energy: 0.8350959356994915
Energy: 0.7551920463983706
Energy: 0.8350959356994915
Energy: 0.8860256409033709
Energy: 0.7699550826670158
Energy: 0.7667468724002694
Energy: 0.7699550826688804
Energy: 0.9499449798140313
Energy: 0.7779090422187698
Energy: 0.7857725703937228
Energy: 0.7779090422193914
Energy: 0.7953632421688572
Energy: 0.7670036253217097
Energy: 0.9464066613508082
Energy: 0.7670036253204667
Energy: 0.7708232279779064
Energy: 0.7679363789037801
Energy: 0.8969477889075604
Energy: 0.7679363789012938
Energy: 0.7825559953079757
Energy: 0.830451732337546
Energy: 0.873853217090667
Energy: 0.8304517323369245
Energy: 0.7863965541328323
Energy: 0.8311690787757955
Energy: 0.8308746131734055
Energy: 0.8311690787739309
Energy: 1.488768209277687
Energy: 0.8378258468067826
Energy: 0.8213389517689342
Energy: 0.8378258468049181
Energy: 0.9496303953629357
Energy: 1.5297412616146888
Energy: 0.8759606592743562
Energy: 1.5297412615904489

minimum gb energy = 0.7395452912497282 eV
minimum distance =  0.91838217166492 Angstroms
sigma value = 73


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

Energy: 0.9678825814175358
Energy: 0.830487589338328
Energy: 0.8729466039004462
Energy: 0.7894155482746616
Energy: 0.7908007356548885
Energy: 0.7580265378750918
Energy: 1.383952984846899
Energy: 0.7580265378741057
Energy: 0.7542236656879034
Energy: 0.7544368843033631
Energy: 0.871204986460154
Energy: 0.7544368843053353
Energy: 0.7533286814452174
Energy: 0.7543802071920098
Energy: 0.9240739518651032
Energy: 0.7543802071910237
Energy: 0.7561537258046382
Energy: 0.7580286660986241
Energy: 0.9056626668990427
Energy: 0.7580286662109733
Energy: 0.788525556555888
Energy: 0.7577401761055756
Energy: 0.9216586836379315
Energy: 0.7577401760996815
Energy: 0.8453742101109765
Energy: 1.9002170460365084
Energy: 0.8770280746078918
Energy: 1.900217340395208
Energy: 0.8244964116148256
Energy: 0.8645912623661247
Energy: 0.8633449793405406
Energy: 0.8645912623671107
Energy: 0.7755991275973769
Energy: 0.8287773638130077
Energy: 0.8687848157171028
Energy: 0.8287773638139938
Energy: 0.8138001615260783
Energy: 0.8490912719274183
Energy: 0.8660255355912239
Energy: 0.8490912719274183
Energy: 0.7761875655125403
Energy: 0.720816764732168
Energy: 2.904162579322149
Energy: 0.7208167647311821
Energy: 0.7783398557915963
Energy: 0.7210798432505018
Energy: 0.9139105372398746
Energy: 0.7210798432495158
Energy: 0.8724213724418673
Energy: 0.7200886383259064
Energy: 0.7890613089728445
Energy: 0.7200886383268925
Energy: 0.8697673974242905
Energy: 0.7996981710321439
Energy: 0.7795424458315442
Energy: 0.7996981710321439
Energy: 0.869776716773557
Energy: 0.7769122818158346
Energy: 0.7815968046810187
Energy: 0.7769122818148485
Energy: 0.9229855978399348
Energy: 0.7822626966624697
Energy: 0.7813973394953608
Energy: 0.7822626966624697
Energy: 0.9221190564161976
Energy: 0.7917120550428779
Energy: 0.7800701440184343
Energy: 0.7917120550418918
Energy: 0.8512919422402284
Energy: 0.8530017839542644
Energy: 0.8441864429603637
Energy: 0.8530017839552506
Energy: 0.8375444973679023
Energy: 0.8206538503800909
Energy: 0.8400193211930305
Energy: 0.8206538503791047
Energy: 2.222667587784106
Energy: 0.8214174667579278
Energy: 1.2988620311190688
Energy: 0.821417466758914
Energy: 0.8362779195360672
Energy: 0.8416484535217603
Energy: 0.7876024239616932
Energy: 0.8416484535237326
Energy: 0.928238300018868
Energy: 0.8290485333032473
Energy: 0.8294700843668218
Energy: 0.8290485333042334

minimum gb energy = 0.7200886383259064 eV
minimum distance =  2.43925397142272 Angstroms
sigma value = 7


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

Energy: 2.360114234861499
Energy: 0.8779061104632697
Energy: 0.8774490826750875
Energy: 0.7777396264211441
Energy: 0.7568567361098701
Energy: 0.811418717829662
Energy: 1.562019135975493
Energy: 0.8114187178268729
Energy: 0.7554949923783779
Energy: 0.7570662260022021
Energy: 0.8426036050678863
Energy: 0.7570662260001103
Energy: 1.4352829323622234
Energy: 0.7592698295228896
Energy: 0.9066698553229191
Energy: 0.759269829526376
Energy: 0.753767521405015
Energy: 0.7558631628715979
Energy: 0.9011887230694158
Energy: 0.7558631628604414
Energy: 0.8323426550951426
Energy: 0.7561143996550673
Energy: 0.8995139568170092
Energy: 0.75611439965437
Energy: 1.6094165713044122
Energy: 0.7545259465208868
Energy: 0.7690939745862019
Energy: 0.7545259465229787
Energy: 0.9117710455755573
Energy: 0.7546750988561051
Energy: 0.752570367028731
Energy: 0.754675098855408
Energy: 0.9104543064128173
Energy: 0.7664420628715157
Energy: 0.7671173920255138
Energy: 0.7664420628784887
Energy: 2.186287219680888
Energy: 0.7544838466212844
Energy: 0.7524468665546212
Energy: 0.7544838466282572
Energy: 0.9059182640164555
Energy: 0.8264322846710758
Energy: 0.8319577480378187
Energy: 0.8264322846738648
Energy: 0.8326374949867693
Energy: 1.5920854656692236
Energy: 0.9092425135522149
Energy: 1.5920854639044613
Energy: 0.8287964361674822
Energy: 0.8096419171104451
Energy: 0.825890338793737
Energy: 0.8096419171097479
Energy: 1.5151506436139426
Energy: 0.813635645891165
Energy: 0.774574245858484
Energy: 0.8136356458869813
Energy: 0.827413164855221
Energy: 0.8094556311442159
Energy: 0.7699907542207023
Energy: 0.8094556311414268
Energy: 2.2961594813213693
Energy: 0.8275441740733492
Energy: 0.832065159675778
Energy: 0.8275441740733492
Energy: 0.9108992306789998
Energy: 0.8258487806111873
Energy: 0.9043604763449726
Energy: 0.8258487806111873
Energy: 0.7523539603201221
Energy: 0.7548352225758987
Energy: 0.8427726471073471
Energy: 0.7548352227571291
Energy: 1.4382509400617653
Energy: 0.7664180638899808
Energy: 0.9113711906067115
Energy: 0.7664180638920726
Energy: 0.7532303112908637
Energy: 0.7547935567449721
Energy: 2.2890164014727707
Energy: 0.7547935567477612
Energy: 0.768623437848957
Energy: 0.7565280682475236
Energy: 0.9054825379397206
Energy: 0.7565280682440373
Energy: 0.9146245108921489
Energy: 0.7539263027876811
Energy: 0.7688860654442992
Energy: 0.7539263027855891
Energy: 0.913293029112134
Energy: 0.7540296283103459
Energy: 0.7541558521191128
Energy: 0.7540296282518058
Energy: 0.9017268965633144
Energy: 0.7597249085205103
Energy: 0.7615882856247055
Energy: 0.7597249085267859
Energy: 2.167835163163249
Energy: 0.7574874955338149
Energy: 0.7605291800834375
Energy: 0.7574874955310258
Energy: 0.8934176521784188
Energy: 0.7718542098003083
Energy: 2.402502545465191
Energy: 0.7718542098030974
Energy: 0.8775235341996239
Energy: 1.5696501631673043
Energy: 0.9420945534890303
Energy: 1.5696501525872566
Energy: 0.8265046423270732
Energy: 0.8135322994976187
Energy: 2.3931086999237547
Energy: 0.8135322995024996
Energy: 2.1509488092776032
Energy: 0.8094801567491414
Energy: 1.4762468921585048
Energy: 0.8094801567505361
Energy: 0.8243264815480423
Energy: 0.8149304378930066
Energy: 0.7743363433950791
Energy: 0.8149304379034658
Energy: 0.9209277131428384
Energy: 1.5981366487836552
Energy: 0.8270336730363763
Energy: 1.5982044211546538

minimum gb energy = 0.7523539603201221 eV
minimum distance =  0.925144929396325 Angstroms
sigma value = 29


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

Energy: 0.7605931671023733
Energy: 3.2207078359411327
Energy: 0.7963464618526336
Energy: 0.8264056601628644
Energy: 3.20609652288921
Energy: 0.7700534751979834
Energy: 0.7258780828988672
Energy: 0.7700534751977405
Energy: 3.179003929688575
Energy: 0.7760383680954783
Energy: 0.7200237486757037
Energy: 0.7760383680978532
Energy: 0.7172089152420372
Energy: 0.7260327151668192
Energy: 0.7252891216367742
Energy: 0.7260327151663334
Energy: 0.7215927845934145
Energy: 3.226658930732217
Energy: 0.7193855194148477
Energy: 3.2266589307239046
Energy: 0.7255042038510852
Energy: 3.18068935716796
Energy: 0.7184035800260374
Energy: 3.185269894990983
Energy: 0.7199146057053483
Energy: 0.7757098290675752
Energy: 0.725887458933406
Energy: 0.7757098290680611
Energy: 3.2060323541867497
Energy: 0.7267105695078608
Energy: 0.717154688044678
Energy: 0.7267105695064305
Energy: 0.7156478404449665
Energy: 0.7280652066113951
Energy: 0.7257700537148093
Energy: 0.728065206611638

minimum gb energy = 0.7156478404449665 eV
minimum distance =  2.44534288549545 Angstroms
sigma value = 5


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

Energy: 1.0761151564712756
Energy: 0.735410879450137
Energy: 0.8389294512490851
Energy: 0.7120060602084322
Energy: 2.258479407614846
Energy: 0.7325979877232898
Energy: 0.8436270756827275
Energy: 0.7325979877239484
Energy: 1.429056317532633
Energy: 0.7977179630693443
Energy: 2.068208341259885
Energy: 0.7977179630686855
Energy: 0.758774361994942
Energy: 0.848623075900554
Energy: 0.8299795663809296
Energy: 0.8486230759038474
Energy: 0.8247514461521972
Energy: 1.5142563547733348
Energy: 0.8473221721447154
Energy: 1.5142562544137594
Energy: 0.735075415547686
Energy: 1.471504762017468
Energy: 0.8462915260215689
Energy: 1.4797922506607293
Energy: 0.7304964695047116
Energy: 0.7344257023322079
Energy: 0.8591756910133818
Energy: 0.7344257023315492
Energy: 0.7338656806695948
Energy: 0.7340220224223011
Energy: 2.092320965420677
Energy: 0.7340220224223011
Energy: 2.215138817049054
Energy: 0.7423698833730124
Energy: 0.9238412684047408
Energy: 0.7423698833730124
Energy: 0.8530711490778591
Energy: 0.7044116642349737
Energy: 0.7099003908912167
Energy: 0.7044116642356325
Energy: 0.8283298963857179
Energy: 0.7029835258151513
Energy: 0.7032826772922328
Energy: 0.70298352581581
Energy: 0.9295642154033615
Energy: 0.7049360681190219
Energy: 0.7017334074647366
Energy: 0.7049360681190219
Energy: 0.9386698391945412
Energy: 0.7029019872871602
Energy: 0.8567171135573323
Energy: 0.7029019872871602
Energy: 0.8249782534383875
Energy: 0.739655125258334
Energy: 0.8471945749124137
Energy: 0.7396551252576753
Energy: 1.3871760401046984
Energy: 0.7340438072234773
Energy: 0.8446076896308006
Energy: 0.734043807224136
Energy: 0.7321126257442485
Energy: 0.7320329549229392
Energy: 1.5817129254654125
Energy: 0.7320329549229392
Energy: 0.7377131632774581
Energy: 1.5123363916389994
Energy: 2.293535430647435
Energy: 1.5123363946148642
Energy: 0.8292078954739187
Energy: 0.7335431157305365
Energy: 2.1549922313766774
Energy: 0.7335431157311952
Energy: 2.068929171248909
Energy: 0.7992550813234132
Energy: 1.4458715018105892
Energy: 0.7992550813234132
Energy: 0.8296309248046576
Energy: 0.7340565686316776
Energy: 0.7607791362643531
Energy: 0.734056568631019
Energy: 0.8456913172624915
Energy: 0.7355812634799788
Energy: 0.8300623472805896
Energy: 0.735581263648538
Energy: 0.8475824453976551
Energy: 2.231285029424851
Energy: 0.7319959038369994
Energy: 2.231285029402456
Energy: 0.8553935950049504
Energy: 0.7329904364078281
Energy: 0.730219531256594
Energy: 0.7329904364091455
Energy: 2.0876299318760725
Energy: 0.7345304588857874
Energy: 0.7316447056654126
Energy: 0.7345304588844701
Energy: 0.9264605098520022
Energy: 0.7393993266975184
Energy: 0.8309560242796322
Energy: 0.7393993266968598
Energy: 0.7131836839390845
Energy: 0.7054246466997502
Energy: 0.8531393744981091
Energy: 0.7054246466029559
Energy: 0.7130735166667328
Energy: 0.7048082596375839
Energy: 2.2103750952263743
Energy: 0.7048082596389011
Energy: 0.7012225367098347
Energy: 0.7051312271190511
Energy: 1.5162868916112107
Energy: 0.7051312271183924
Energy: 0.7734433380822283
Energy: 0.7036939716226136
Energy: 0.9396898470312535
Energy: 0.7036939716212962
Energy: 0.8459010072364332
Energy: 0.7384821264786205
Energy: 0.8261048728352716
Energy: 0.7384821264792791
Energy: 0.8459798170708481
Energy: 0.7339054990128124
Energy: 1.3726503723632635
Energy: 0.7339054990134711
Energy: 1.5760486222418202
Energy: 0.7340175556234525
Energy: 1.3726475923025447
Energy: 0.7340175556234525
Energy: 2.3156739298275104
Energy: 0.7326122919262099
Energy: 0.7354544866122007
Energy: 0.7326122919341138

minimum gb energy = 0.7012225367098347 eV
minimum distance =  2.40767289677096 Angstroms
sigma value = 1


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

Energy: 1.1531754065341668
Energy: 0.7011975965929337
Energy: 0.8133930134548771
Energy: 0.6607611473176871
Energy: 1.7182621874388602
Energy: 0.6959434091178035
Energy: 0.834559024485125
Energy: 0.695943409119625
Energy: 1.6541558073749563
Energy: 0.7770373816925097
Energy: 2.5363020937539513
Energy: 0.7770373816934205
Energy: 0.7241207349855663
Energy: 0.778019695134087
Energy: 0.836698438221956
Energy: 0.7780196951359085
Energy: 0.8328156612917376
Energy: 2.7002935607415814
Energy: 0.8337432240026862
Energy: 2.70024534951273
Energy: 0.694510260222347
Energy: 0.6981468709300982
Energy: 0.8326310718073754
Energy: 0.6981468709310088
Energy: 0.6931793415814677
Energy: 0.6955217361442656
Energy: 0.8818886380245342
Energy: 0.6955217361433548
Energy: 0.699716729127073
Energy: 1.7025574349337609
Energy: 2.5670754085751004
Energy: 1.7025574240063794
Energy: 0.839510984875353
Energy: 0.7162116775932599
Energy: 0.9305426533055913
Energy: 0.7162116775923492
Energy: 0.8349868892773012
Energy: 0.6987745765755203
Energy: 0.7023141817611201
Energy: 0.6987745765736989
Energy: 0.8882470344509855
Energy: 0.6980960684206741
Energy: 1.592214961716688
Energy: 0.6980960684215848
Energy: 0.9338006039955444
Energy: 0.6982522712930752
Energy: 0.6976853724208214
Energy: 0.6982522713386111
Energy: 0.9275823535718893
Energy: 0.6957234736766442
Energy: 0.6976718817790382
Energy: 0.6957234736775549
Energy: 0.8859508286891098
Energy: 0.7785439357155569
Energy: 2.534502190904669
Energy: 0.7785439357164675
Energy: 0.723312786652654
Energy: 0.7760359091449774
Energy: 0.8417316338908101
Energy: 0.7760359091458882
Energy: 0.7264483767212941
Energy: 0.695484329724991
Energy: 2.8503513219375147
Energy: 0.695484329724991
Energy: 0.7054168001475888
Energy: 2.6987059218993155
Energy: 2.7303957444860156
Energy: 2.6987055158217683
Energy: 0.6963724675420823
Energy: 0.6973786433056527
Energy: 0.89012399475638
Energy: 0.6973786433029205
Energy: 0.6941500315569198
Energy: 0.695992281128311
Energy: 0.9307128160503593
Energy: 0.6959922811264895
Energy: 0.6991080375490442
Energy: 0.7001351894204215
Energy: 2.569513966184236
Energy: 0.7001351894195108
Energy: 0.8319907201880421
Energy: 0.7140710864942317
Energy: 1.8945156645271979
Energy: 0.7140710864951424
Energy: 0.8327777113249226
Energy: 0.6958131106007787
Energy: 0.6960487058815713
Energy: 0.6958131105980464
Energy: 0.8857576294566841
Energy: 0.6947029216820577
Energy: 1.5829022940862656
Energy: 0.6947029216838791
Energy: 0.9274381871196652
Energy: 1.7475217501074198
Energy: 0.6966307813013382
Energy: 1.7405075988622989

minimum gb energy = 0.6607611473176871 eV
minimum distance =  0.937314762600561 Angstroms
sigma value = 17


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

Energy: 0.9110089143750105
Energy: 0.7010206421870748
Energy: 0.8276736739909136
Energy: 0.6750602857708303
Energy: 0.7289900068739634
Energy: 0.6985701845727897
Energy: 0.7882382290129408
Energy: 0.6985701845739156
Energy: 0.852462553631362
Energy: 0.8105246775048816
Energy: 1.8332962456886848
Energy: 0.8105246775043189
Energy: 1.847399080236422
Energy: 0.7284003158172275
Energy: 0.7886622384981495
Energy: 0.7284003158177905
Energy: 0.8583494990675523
Energy: 0.6746758446355673
Energy: 0.871746202271201
Energy: 0.6746758446338784
Energy: 0.6730136124243841
Energy: 0.6752282396063097
Energy: 2.102616560566763
Energy: 0.6752282396051841
Energy: 0.6724275131635445
Energy: 0.6748989508282497
Energy: 0.7203769000811242
Energy: 0.6748989508276869
Energy: 0.6792088075792466
Energy: 0.6786719849728071
Energy: 2.076217855072973
Energy: 0.6786719847381816
Energy: 0.8612616274082429
Energy: 0.6761029586025444
Energy: 2.1575052068073868
Energy: 0.6761029586031073
Energy: 0.7956711100725967
Energy: 0.7309798238168665
Energy: 0.7867094632652236
Energy: 0.7309798238219325
Energy: 0.8575368985535331
Energy: 0.6972944633726099
Energy: 0.7177954770083627
Energy: 0.6972944633737357
Energy: 0.8680628261548116
Energy: 0.7007828971286353
Energy: 0.7797863758022651
Energy: 0.7007828971275094
Energy: 1.4496226867635043
Energy: 2.0143709171854876
Energy: 0.6983578426078586
Energy: 2.014370916995843
Energy: 0.7986086745622364
Energy: 0.6970262959620959
Energy: 0.6939651891622555
Energy: 0.6970262959604073
Energy: 0.8623120515576459
Energy: 0.6970238977163975
Energy: 0.6976202205576962
Energy: 0.6970238977147087
Energy: 2.045552965675856
Energy: 0.6986606405921131
Energy: 0.8043179797829593
Energy: 0.698660640593239
Energy: 0.7018322743331987
Energy: 0.69983124041049
Energy: 1.9444206580916361
Energy: 0.6998312403952919
Energy: 1.2420767389442275
Energy: 0.6989037464007607
Energy: 2.0895265659280144
Energy: 0.6989037463996348
Energy: 0.6996562158595017
Energy: 0.7007879800922109
Energy: 0.7914163573114984
Energy: 0.7007879800927739
Energy: 0.7064100491791343
Energy: 0.7019843449131258
Energy: 0.874029126465849
Energy: 0.7019843449249465
Energy: 0.7874943645209858
Energy: 0.6973406610569316
Energy: 1.3543697553454714
Energy: 0.6973406610558057
Energy: 0.7963429547436307
Energy: 0.8114362154646494
Energy: 0.85502188173853
Energy: 0.8114362154629607
Energy: 0.7192348363567368
Energy: 0.7271375261419839
Energy: 0.8645744107867266
Energy: 0.7271375261419839
Energy: 0.8734231378191001
Energy: 0.6756907957451492
Energy: 0.7601003762271427
Energy: 0.6756907951340994
Energy: 1.482689211549174
Energy: 0.6750216107816753
Energy: 0.671500304847252
Energy: 0.6750216107811124
Energy: 1.5417597737990878
Energy: 0.677449318229615
Energy: 0.6778985908179304
Energy: 0.6774493182307407
Energy: 2.069737846608342
Energy: 0.6774385826743862
Energy: 0.6807811794170859
Energy: 0.6774385826935247
Energy: 0.7258484395061924
Energy: 0.6774785226540236
Energy: 0.8662955799387116
Energy: 0.6774785226557122
Energy: 0.7891219233865215
Energy: 0.8154097638630806
Energy: 0.7927077988438056
Energy: 0.8154097638642063
Energy: 0.7153283642549768
Energy: 0.6967661981701339
Energy: 0.8585347022677192
Energy: 0.6967661981712596
Energy: 0.7809091759397657
Energy: 1.9975363105001323
Energy: 0.8692338291084106
Energy: 1.997536310447783
Energy: 0.6961360989495872
Energy: 1.3728597075348068
Energy: 0.8717348886026374
Energy: 1.3728597052032379
Energy: 0.6943683497776014
Energy: 0.6976426210008038
Energy: 0.8001406840725299
Energy: 0.6976426210013665
Energy: 0.7015474550773482
Energy: 0.6976285816508894
Energy: 0.8658779800957633
Energy: 0.6976285816514523
Energy: 0.7993306817649548
Energy: 0.7046357403968874
Energy: 2.029717083306196
Energy: 0.704635740399139
Energy: 1.9913494435433967
Energy: 0.7017372678486906
Energy: 0.7046391929109154
Energy: 0.7017372678509421
Energy: 1.4227379146104353
Energy: 0.7005333152306943
Energy: 1.2422893256857914
Energy: 0.7005333152295685
Energy: 0.849447769124275
Energy: 0.7014974880677648
Energy: 0.7017218619924412
Energy: 0.7014974880660763

minimum gb energy = 0.671500304847252 eV
minimum distance =  2.42590775854346 Angstroms
sigma value = 89


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

Energy: 3.6348565325460607
Energy: 0.6396726300561322
Energy: 0.7789959329140693
Energy: 0.6359055789423719
Energy: 2.659132360978112
Energy: 0.6918512579524339
Energy: 0.6462861993168988
Energy: 0.6918512579539067
Energy: 0.6429212319099293
Energy: 0.6919180614899147
Energy: 0.6453440267571428
Energy: 0.6919180614884419
Energy: 0.6318370008386792
Energy: 0.6942489285897363
Energy: 0.6482389561458368
Energy: 0.6942489285897363
Energy: 0.6488389467565088
Energy: 0.6376965630292075
Energy: 0.640319477307246
Energy: 0.6376965630292075
Energy: 0.6405220950644845
Energy: 0.6376862849347458
Energy: 0.653866153840174
Energy: 0.6376862849347458
Energy: 0.6393272278413186
Energy: 0.6407100559109299
Energy: 2.3998839476651574
Energy: 0.6407100559109299
Energy: 0.6501502702087667
Energy: 2.2920594286486766
Energy: 0.6367205603703666
Energy: 2.292094876918099
Energy: 0.6415620175275748
Energy: 0.6407662910073914
Energy: 0.6333332952830873
Energy: 0.6407662909985544
Energy: 2.353717251299211
Energy: 0.6973717010821254
Energy: 2.1596658802544124
Energy: 0.6973717010821254
Energy: 0.6495116455706973
Energy: 0.6915581891784977
Energy: 0.63199280722833
Energy: 0.6915581891770247
Energy: 0.6520609986794202
Energy: 0.6364436854017643
Energy: 2.1474247704582536
Energy: 0.6364436854032371
Energy: 0.6399815949364546
Energy: 0.6392172365096478
Energy: 0.6438384892670029
Energy: 0.6392172365096478
Energy: 0.6488006637851984
Energy: 0.6370879995741205
Energy: 2.1619935155864214
Energy: 0.6370879995741205
Energy: 0.636135770733236
Energy: 2.293117834573932
Energy: 0.6436761352379008
Energy: 2.2931178366305685

minimum gb energy = 0.6318370008386792 eV
minimum distance =  0.916346617940974 Angstroms
sigma value = 13


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

Energy: 0.6316304398485248
Energy: 1.3415724517216825
Energy: 0.7743110717930379
Energy: 0.6029173624595515
Energy: 2.60568122142131
Energy: 0.6116140336096033
Energy: 0.7077134500261887
Energy: 0.611614033610838
Energy: 0.6168425328616566
Energy: 0.6103961576926704
Energy: 0.7177035959121333
Energy: 0.6103961576976089
Energy: 0.8148046065400553
Energy: 1.3520533646775528
Energy: 0.7099390361953426
Energy: 1.3557775484661403
Energy: 0.8125536468269147
Energy: 0.6125270236341757
Energy: 0.7091627488466664
Energy: 0.6125270236341757
Energy: 0.7056064898355973
Energy: 0.6113749459348512
Energy: 0.7078250643124213
Energy: 0.6113749459348512
Energy: 1.243582005065814
Energy: 0.6098182518435744
Energy: 0.8044772312662914
Energy: 0.6098182518411053
Energy: 0.7078866407528349
Energy: 1.3754469657532329
Energy: 0.7243145803354656
Energy: 1.3754469682664403
Energy: 0.6062859748407374
Energy: 0.611535080768647
Energy: 2.269770804161557
Energy: 0.6115350807729683
Energy: 0.6103729767634615
Energy: 0.6123252621303131
Energy: 2.944205179331532
Energy: 0.6123252621284611
Energy: 0.6217043173597576
Energy: 0.6130180311549528
Energy: 0.6282420954371103
Energy: 0.6130180311524835
Energy: 0.7098127799954805
Energy: 0.6390593107334841
Energy: 0.7148599040637835
Energy: 0.6390593107334841
Energy: 1.968502246163953
Energy: 0.6392818051684351
Energy: 1.4251448644882223
Energy: 0.6392818051746083
Energy: 0.8088170030163533
Energy: 0.6347934061597529
Energy: 0.8167222961993744
Energy: 0.6347934061659262
Energy: 2.1747307034010914
Energy: 0.6123910373791501
Energy: 0.8077770000549005
Energy: 0.6123910373748289
Energy: 2.1738566940266115
Energy: 0.6113877485251085
Energy: 0.613776282460452
Energy: 0.6113877485251085
Energy: 1.554126419363634
Energy: 0.6108390949283234
Energy: 0.6103226318622804
Energy: 0.6108390949159772
Energy: 0.6264378472501699
Energy: 1.3744563496538937
Energy: 0.6104146877820688
Energy: 1.3744565771586106
Energy: 0.7939640018295698
Energy: 0.6150128639153413
Energy: 0.7014002499714547
Energy: 0.6150128639196625
Energy: 1.544600200084114
Energy: 0.6089023958320247
Energy: 0.718989837737505
Energy: 0.6089023958301726
Energy: 0.8191553376429357
Energy: 0.6120893289060708
Energy: 0.7045744578471896
Energy: 0.6120893289060708
Energy: 1.5993602430833167
Energy: 0.6104401989555666
Energy: 0.70808864523271
Energy: 0.610440198962357
Energy: 0.7078923691343456
Energy: 0.6123302743367012
Energy: 0.7214546169471052
Energy: 0.6123302743397878
Energy: 0.6175596840439522
Energy: 0.6098608503967025
Energy: 0.8092999021068055
Energy: 0.609860850397937
Energy: 0.7067527385835914
Energy: 1.3427818143711345
Energy: 0.722765426503185
Energy: 1.3427790579283534
Energy: 0.6114921781209749
Energy: 1.3315621150528376
Energy: 0.7218691288091992
Energy: 1.3315621156501192
Energy: 0.6104320477851728
Energy: 0.6115526293515827
Energy: 0.8114764322775299
Energy: 0.6115526293528175
Energy: 0.6163253971290624
Energy: 1.3343444696657125
Energy: 0.6276309708857872
Energy: 1.3343444712095645
Energy: 0.7100867582417454
Energy: 0.6102993989453789
Energy: 2.2799011774962867
Energy: 0.6102993989472308
Energy: 0.7184404652396965
Energy: 0.6347908345452036
Energy: 1.4276606991360632
Energy: 0.6347908345464383
Energy: 0.8052800154088366
Energy: 0.636981502348118
Energy: 0.8646502502216408
Energy: 0.636981502348118
Energy: 0.7224091945589944
Energy: 0.6092340532648477
Energy: 0.8029507962960075
Energy: 0.609234053263613
Energy: 2.1834447439472213
Energy: 0.612728234590082
Energy: 0.6209803877677059
Energy: 0.6127282345974898
Energy: 0.8098363223231568
Energy: 0.609143010611889
Energy: 0.6078420147191266
Energy: 0.6091430106100372
Energy: 2.285309328026961
Energy: 1.3705045159824887
Energy: 0.6156562900797872
Energy: 1.3705045151649373

minimum gb energy = 0.6029173624595515 eV
minimum distance =  0.941106234156941 Angstroms
sigma value = 37


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

Energy: 0.8942331298558686
Energy: 0.5638405679516542
Energy: 0.5623046868111241
Energy: 0.566022469481167
Energy: 1.501483674238626
Energy: 0.5605485260544847
Energy: 0.7230396911780094
Energy: 0.5605485260534226
Energy: 0.8711786527711584
Energy: 0.6243137887901372
Energy: 0.7238993883951096
Energy: 0.6243137887911993
Energy: 0.8721793229163384
Energy: 1.9789851674811085
Energy: 0.7205453100546969
Energy: 1.9789851674811085
Energy: 0.8857533722911084
Energy: 0.6259110649192338
Energy: 0.7178463769083114
Energy: 0.6259110649202958
Energy: 0.562927750017462
Energy: 0.5597912321863313
Energy: 2.9400795840669973
Energy: 0.5597912322521557
Energy: 0.5586261820452643
Energy: 0.5602742942831516
Energy: 0.8825726536999425
Energy: 0.5602742942831516
Energy: 0.5643098840292659
Energy: 1.7698978481903116
Energy: 0.8902856377486387
Energy: 1.7698195960020553
Energy: 0.5642106850872931
Energy: 0.5623727410132117
Energy: 0.8832635065509019
Energy: 0.5623727410132117
Energy: 0.5634587509252093
Energy: 0.559334404136481
Energy: 0.8743067248537825
Energy: 0.559334404136481
Energy: 0.5623046868185586
Energy: 0.566022469481167
Energy: 0.8942331298537685
Energy: 0.5638405683083412
Energy: 0.7230396911780094
Energy: 0.5605485260544847
Energy: 2.1106123788934714
Energy: 0.5605485260555467
Energy: 0.7238993883940475
Energy: 0.6243137887901372
Energy: 0.8711786527711584
Energy: 0.6243137887901372
Energy: 0.7205453100546969
Energy: 1.9789851674811085
Energy: 0.8721793229174005
Energy: 1.9789851674800465
Energy: 0.7178463769093735
Energy: 0.6259110649202958
Energy: 0.8857533722921704
Energy: 0.6259110649192338
Energy: 2.9400795840669973
Energy: 0.559791232105638
Energy: 0.562927750017462
Energy: 0.5597912320939552
Energy: 0.8825726537020424
Energy: 0.5602742942820894
Energy: 0.5586261820463263
Energy: 0.5602742942831516
Energy: 0.8902856377486387
Energy: 1.7699623508624656
Energy: 0.5643098840292659
Energy: 1.7586172341097992
Energy: 0.8832635065519641
Energy: 0.5623727410132117
Energy: 0.5642106850872931
Energy: 0.5623727410121496
Energy: 0.8743067248537825
Energy: 0.559334404136481
Energy: 0.5634587509252093
Energy: 0.559334404136481

minimum gb energy = 0.5586261820452643 eV
minimum distance =  2.4424707096595 Angstroms
sigma value = 25


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

Energy: 1.0298076647684755
Energy: 0.5118510856698705
Energy: 0.7087458905843019
Energy: 0.5140198214077831
Energy: 2.823900942356054
Energy: 0.5087416053885286
Energy: 0.6439574795722769
Energy: 0.5087416053876993
Energy: 1.0077018266650977
Energy: 0.5073686558582661
Energy: 0.6412855897024321
Energy: 0.5073686558566075
Energy: 0.7773842108975759
Energy: 1.5975607343468567
Energy: 0.6487535824919787
Energy: 1.5975607342871825
Energy: 1.9117716281268256
Energy: 0.6312647127150021
Energy: 2.3399308601135234
Energy: 0.6312647127150021
Energy: 0.770604084794739
Energy: 0.5574072612495566
Energy: 1.6033085116482242
Energy: 0.557407261250386
Energy: 0.7739026952213793
Energy: 0.6330575120850442
Energy: 0.7820857088141365
Energy: 0.6330575120759215
Energy: 0.7818389428012629
Energy: 0.5107097491505243
Energy: 0.8924106543862976
Energy: 0.510709749149695
Energy: 1.3750380443183112
Energy: 0.5096835369555109
Energy: 2.6619488155190525
Energy: 0.5096835369571696
Energy: 1.384009260036023
Energy: 0.5085132382408585
Energy: 2.7692037163926715
Energy: 0.5085132382400291
Energy: 0.5141680748431553
Energy: 2.4767184766301935
Energy: 0.9067639850369474
Energy: 2.4943490620681326
Energy: 0.5092623456199215
Energy: 0.5086959680130538
Energy: 2.885919791931327
Energy: 0.5086959680122245
Energy: 0.5084955211024351
Energy: 0.5132067567833855
Energy: 2.814005780938399
Energy: 0.5132067567850441
Energy: 0.6443721305150841
Energy: 0.5083471868668531
Energy: 1.0076039650436246
Energy: 0.5083471868668531
Energy: 0.6409868887904695
Energy: 0.5075833624817753
Energy: 1.8062885140350633
Energy: 0.5075833624817753
Energy: 0.6443533356268022
Energy: 0.5079993631827885
Energy: 1.7640780916006253
Energy: 0.5079993631836179
Energy: 0.8944714785629578
Energy: 0.6292383807401812
Energy: 2.511231428119506
Energy: 0.6292383807393519
Energy: 0.6426321991247756
Energy: 0.5599082245679011
Energy: 0.8964649988994896
Energy: 0.5599082245679011
Energy: 0.8893699618306713
Energy: 0.5582875691956057
Energy: 0.7733684609694443
Energy: 0.5582875691956057
Energy: 0.8909136401715231
Energy: 0.6311381813687217
Energy: 0.7710400152573603
Energy: 0.6311381813678923
Energy: 0.8922852035072407
Energy: 0.5088268120706734
Energy: 0.6446296033295967
Energy: 0.5088268120731613
Energy: 1.7701060489271092
Energy: 0.50818286561155
Energy: 0.5060436307737265
Energy: 0.50818286561155
Energy: 0.8893768311332696
Energy: 0.509253245920287
Energy: 0.6390356346756492
Energy: 0.5092532459194578
Energy: 0.8945612762884563
Energy: 1.509688712220878
Energy: 0.5127167886635035
Energy: 1.5096886228703406
Energy: 1.908152844851171
Energy: 0.5079393081689902
Energy: 0.5065892657792059
Energy: 0.5079393081689902
Energy: 1.0098932172203912
Energy: 0.508508264717672
Energy: 0.5109586339497018
Energy: 0.5085082647193307

minimum gb energy = 0.5060436307737265 eV
minimum distance =  2.44683208715677 Angstroms
sigma value = 41


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

Energy: 2.44266664528014
Energy: 0.4708114809623865
Energy: 0.6835860354807944
Energy: 0.47639507424738253
Energy: 2.952166747359595
Energy: 0.4680843967299585
Energy: 0.5838709003568888
Energy: 0.4680843967306384
Energy: 2.3550345537869455
Energy: 0.4710589995828964
Energy: 0.5811872254118661
Energy: 0.4710589995842563
Energy: 0.9020163286580223
Energy: 1.4120983548331845
Energy: 0.7052735803407107
Energy: 1.4120983240640805
Energy: 1.7470786046407705
Energy: 0.4696091442437011
Energy: 1.4154766592782906
Energy: 0.46960914424098144
Energy: 0.8938972144406424
Energy: 0.5838143498042456
Energy: 0.7941487067632425
Energy: 0.5838143498035656
Energy: 2.1254016859252194
Energy: 0.5095455229699881
Energy: 0.9019447155074666
Energy: 0.5095455229713478
Energy: 0.7954999290096462
Energy: 0.5105572234742789
Energy: 0.7997765258718117
Energy: 0.5105572234749589
Energy: 0.6923255049497811
Energy: 0.6713309043389246
Energy: 2.2345951032339024
Energy: 0.6713309043382446
Energy: 0.6913444831849423
Energy: 0.47034068698997317
Energy: 2.4702869058219172
Energy: 0.47034068699337284
Energy: 0.5901634825331767
Energy: 1.2959680406356564
Energy: 2.283515832233048
Energy: 1.2925772805690576
Energy: 1.1533121095882954
Energy: 0.467175240434098
Energy: 2.468680014568748
Energy: 0.4671752404354579
Energy: 0.5798603635474505
Energy: 0.4684518015310605
Energy: 2.4869244279053517
Energy: 0.4684518015317404
Energy: 0.4750280508103135
Energy: 1.3005936034124617
Energy: 0.9988529214071401
Energy: 1.3005919657969829
Energy: 0.46721878997190164
Energy: 0.46836218312532985
Energy: 2.6754594797653737
Energy: 0.4683621831260098
Energy: 0.47134686048790453
Energy: 0.46952786830917886
Energy: 1.1022818671066703
Energy: 0.469527868316658
Energy: 0.5867539117188902
Energy: 0.4707457329159379
Energy: 1.741054251025443
Energy: 0.4707457328792221
Energy: 0.5812264850147669
Energy: 0.466838744725421
Energy: 0.9010550451851589
Energy: 0.466838744725421
Energy: 0.5819945066024682
Energy: 0.4724947231888325
Energy: 0.8970890973834235
Energy: 0.47249472319019237
Energy: 0.7949676684806914
Energy: 1.394921577956
Energy: 0.8953444301932101
Energy: 1.3949215779587196
Energy: 1.9654233777686354
Energy: 0.4682980406631668
Energy: 0.9957782855589309
Energy: 0.46829804066656644
Energy: 0.796363712315688
Energy: 0.4713221526578581
Energy: 2.108330335858892
Energy: 0.4713221526558183
Energy: 2.2369610427188085
Energy: 0.6667399881001921
Energy: 0.8922310156559912
Energy: 0.6667399881001921
Energy: 0.7987699109840714
Energy: 0.4704252690706162
Energy: 0.7968779597345206
Energy: 0.47042526906585674
Energy: 0.9950892900998347
Energy: 0.46956434864646607
Energy: 0.6992402201344872
Energy: 0.46956434862745916
Energy: 0.9984974647486136
Energy: 0.46957787258303185
Energy: 0.7930599174029762
Energy: 0.4695778725809921
Energy: 2.2551412121239953
Energy: 0.47137241550726555
Energy: 0.5816283954593179
Energy: 0.47137241550454595
Energy: 0.9015068751094444
Energy: 0.4677070860919733
Energy: 1.1467881931336388
Energy: 0.46770708609265327
Energy: 1.001715791613067
Energy: 1.3102829148616129
Energy: 0.5852133468127265
Energy: 1.3102828889905391
Energy: 0.9990904339611331
Energy: 1.3197124377300014
Energy: 0.4724497057902752
Energy: 1.3197123325255677
Energy: 1.8930941001006578
Energy: 0.46794887630627763
Energy: 0.466672228750131
Energy: 0.46794887630559767
Energy: 2.3687794138597735
Energy: 0.4708304508151584
Energy: 0.47354961382771693
Energy: 0.4708304507682747

minimum gb energy = 0.466672228750131 eV
minimum distance =  2.45325401542465 Angstroms
sigma value = 15


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

Energy: 1.0014098267000942
Energy: 2.687025253916496
Energy: 0.6617552504412748
Energy: 2.0688327737986265
Energy: 2.7303952936914624
Energy: 0.4396691037818108
Energy: 0.5353297163513039
Energy: 0.4396691037812348
Energy: 2.2416843319759026
Energy: 0.4359021122837766
Energy: 0.5350464820790977
Energy: 0.43590211228780856
Energy: 2.0742694949107356
Energy: 0.43845297672628325
Energy: 0.7286535110386759
Energy: 0.4384529769335346
Energy: 1.659815568101792
Energy: 0.43532027938038487
Energy: 0.7192508408295778
Energy: 0.4353202793809608
Energy: 2.03762832191727
Energy: 0.5471033553974022
Energy: 0.7175706295291306
Energy: 0.5471033553950981
Energy: 0.8087617419413208
Energy: 0.549908968406051
Energy: 0.8989435717266886
Energy: 0.549908968410659
Energy: 0.9031633539439712
Energy: 0.62730644148264
Energy: 0.7215903288958286
Energy: 0.627306441480912
Energy: 0.8063479917049604
Energy: 0.6370214121098549
Energy: 0.894934690256967
Energy: 0.6370214121092789
Energy: 0.8050854247954768
Energy: 0.6226172239767019
Energy: 1.0712499590325546
Energy: 0.62261722397555
Energy: 0.7272519379292295
Energy: 0.5503475621006508
Energy: 1.9520890800756683
Energy: 0.5503475621000746
Energy: 0.6287353619528239
Energy: 0.4398824474918233
Energy: 2.1704247901099865
Energy: 0.4398824476086967
Energy: 0.7178994393978507
Energy: 0.4403495425397524
Energy: 1.0740097681648455
Energy: 0.4403495425403284
Energy: 0.5396781305537173
Energy: 1.8487210420991935
Energy: 0.9024929162828179
Energy: 1.8487204154204147
Energy: 1.0084150715876539
Energy: 0.4344387569917706
Energy: 2.3389146677474515
Energy: 0.4344387569946506
Energy: 0.5367269125957304
Energy: 0.4382319002686628
Energy: 1.0756806601683857
Energy: 0.4382319002577189
Energy: 0.4404790107832373
Energy: 1.1280692056621577
Energy: 1.0813058308019412
Energy: 1.1280692056494857
Energy: 0.43525901419996876
Energy: 0.4357809792962419
Energy: 0.9916066013842803
Energy: 0.4357809792956659
Energy: 0.4450035661813982
Energy: 0.43983521401772896
Energy: 0.990592193313908
Energy: 0.4398352139895578
Energy: 0.5372050646229447
Energy: 0.43944110370868095
Energy: 2.2367284447437537
Energy: 0.4394411037109849
Energy: 0.5378307033981506
Energy: 0.4349476315525492
Energy: 1.7901319481104734
Energy: 0.43494763155542915
Energy: 0.5395201390830391
Energy: 1.2516106984249797
Energy: 0.9944061458126492
Energy: 1.2516323166437795
Energy: 0.7181415055116938
Energy: 0.4370438437585126
Energy: 0.9849153887682589
Energy: 0.43704384375448063
Energy: 1.200825594214716
Energy: 0.43890535134179387
Energy: 1.6104142730874904
Energy: 0.4389053513285461
Energy: 0.7254589062887383
Energy: 0.5525817753458827
Energy: 0.813633009692078
Energy: 0.5525817753383949
Energy: 1.9335983817394795
Energy: 0.6223845940815057
Energy: 1.6141562895013948
Energy: 0.6223845940809296
Energy: 0.717862768773108
Energy: 0.6355660678870702
Energy: 1.4221770789779735
Energy: 0.635566067886494
Energy: 0.9023556486883341
Energy: 0.5489055726979118
Energy: 1.8197777873410121
Energy: 0.5489055726979118
Energy: 0.8988480149684693
Energy: 0.5503460725628785
Energy: 0.8973548059168805
Energy: 0.5503460725640306
Energy: 0.8973418167404782
Energy: 0.5486119618935651
Energy: 1.2310904488731604
Energy: 0.548611961891837
Energy: 0.9913454228576855
Energy: 0.4404525611016004
Energy: 0.6283483829746455
Energy: 0.4404525611016004
Energy: 0.902432279359286
Energy: 0.43864548048915003
Energy: 0.7276726493763849
Energy: 0.4386454804822905
Energy: 1.0741848971989616
Energy: 0.44046685191663604
Energy: 0.53441319309284
Energy: 0.4404668519143321
Energy: 3.6111592329056257
Energy: 0.4392563441372768
Energy: 0.5335359906274945
Energy: 0.43925634413497283
Energy: 2.228110656555228
Energy: 0.43965555358775477
Energy: 0.4450311133051297
Energy: 0.4396556315610643
Energy: 2.3298756740925834
Energy: 0.43825308025249854
Energy: 0.4401861941355888
Energy: 0.43825308025249854
Energy: 1.1610600765719352
Energy: 0.43861784253373004
Energy: 0.436955885106802
Energy: 0.43861784253545805

minimum gb energy = 0.4344387569917706 eV
minimum distance =  2.45118220312992 Angstroms
sigma value = 85


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

Energy: 1.0622835027408128
Energy: 2.427890751684589
Energy: 0.39744565681608374
Energy: 1.882828284831407
Energy: 2.286130639744455
Energy: 0.394426826994182
Energy: 0.481927638719854
Energy: 0.3944268269936824
Energy: 1.0359562507642681
Energy: 0.3955619221567138
Energy: 0.48245601910948194
Energy: 0.39556192215771296
Energy: 0.8794161856073817
Energy: 0.3944790106829543
Energy: 0.644241510049332
Energy: 0.39447901068095614
Energy: 1.039355316793381
Energy: 0.39363113313398473
Energy: 0.6433628687134193
Energy: 0.3936311331334852
Energy: 0.8779013608320142
Energy: 0.3948247968364657
Energy: 0.6428949311503015
Energy: 0.39482479683047106
Energy: 0.8779104252675091
Energy: 1.1172002104084042
Energy: 0.8032053178522737
Energy: 1.1172002107399737
Energy: 0.9594458405559936
Energy: 0.3947599026853837
Energy: 0.6443411688927285
Energy: 0.3947599027088628
Energy: 1.7822661759027416
Energy: 0.5863770924735998
Energy: 0.7995908924165378
Energy: 0.5863770924731003
Energy: 1.3311040954337081
Energy: 0.5845858934229433
Energy: 0.9566055895891711
Energy: 0.5845858934234429
Energy: 0.8003677764378345
Energy: 0.5849773985080661
Energy: 0.7995071521699618
Energy: 0.5849773985075665
Energy: 0.7233826264596763
Energy: 0.5852015320676642
Energy: 0.9572134913191711
Energy: 0.5852015320681637
Energy: 1.2534660735529797
Energy: 0.39459051378599763
Energy: 0.9569978447137661
Energy: 0.3945905137904936
Energy: 0.6440171754032423
Energy: 0.39528357128112235
Energy: 0.7989773846411248
Energy: 0.3952835712831205
Energy: 0.5654306285238139
Energy: 0.39365754660673236
Energy: 1.109887448219774
Energy: 0.3936575466062328
Energy: 0.6466120390237122
Energy: 0.3958924276917699
Energy: 0.9592767597436778
Energy: 0.39589242769127037
Energy: 0.4828828461726583
Energy: 0.3949949056304389
Energy: 0.9590896542368909
Energy: 0.3949949052619252
Energy: 0.48061802154901967
Energy: 0.3938384249881413
Energy: 1.039580693916617
Energy: 0.3938384249881413
Energy: 0.4805988539848635
Energy: 0.3964024242427495
Energy: 2.046953963846007
Energy: 0.39640242375740786
Energy: 0.3982163851318194
Energy: 0.396372918531646
Energy: 1.0370560077051962
Energy: 0.3963729185151833
Energy: 0.39411429539853987
Energy: 0.39421778437480154
Energy: 2.8119503710726947
Energy: 0.3942177843753011
Energy: 0.39560929456716076
Energy: 2.2114365733889962
Energy: 1.035089408498865
Energy: 2.2114365300262824
Energy: 0.4824886113690405
Energy: 0.3945793014650807
Energy: 2.132577582349978
Energy: 0.39457930146458114
Energy: 0.4793958867830128
Energy: 0.39445775790484955
Energy: 2.694625728668914
Energy: 0.3944577579053491
Energy: 0.4806515329740421
Energy: 0.3950243563668012
Energy: 0.878451084480271
Energy: 0.3950243563638039
Energy: 0.64196697487481
Energy: 0.3939609440832479
Energy: 2.1224837302417034
Energy: 0.3939609440837475
Energy: 0.6421489473156423
Energy: 0.39490203170207516
Energy: 1.4944617501070003
Energy: 0.39490203170257476
Energy: 0.7362984996960059
Energy: 0.39475293915694465
Energy: 0.8774394637675084
Energy: 0.3947529389811916
Energy: 1.6898217503934345
Energy: 0.394896686184269
Energy: 1.581319309125988
Energy: 0.39489668621222146
Energy: 1.6919255737241865
Energy: 0.5839477058985062
Energy: 0.8773105825648428
Energy: 0.5839477058985062
Energy: 0.9625970311715853
Energy: 0.5834903018914153
Energy: 0.7217960500257138
Energy: 0.5834903018914153
Energy: 0.8001507354273103
Energy: 0.5836724697522946
Energy: 0.8877128615178939
Energy: 0.5836724697527942
Energy: 1.8794091954015637
Energy: 0.5836922713184843
Energy: 0.7184547525023001
Energy: 0.5836922713184843
Energy: 1.1102805432239342
Energy: 0.394479424130946
Energy: 0.7196380581733354
Energy: 0.3944794241314456
Energy: 0.7994910827349295
Energy: 0.3943943121309731
Energy: 0.6444323091245721
Energy: 0.3943943121259775
Energy: 2.039990669995792
Energy: 0.3948808710966279
Energy: 1.0819822174857558
Energy: 0.3948808710966279
Energy: 1.5838373278297344
Energy: 0.3944868132336973
Energy: 0.6421065951065522
Energy: 0.3944868132341968
Energy: 0.957500526232389
Energy: 0.39479183311249055
Energy: 0.4818458622125489
Energy: 0.39479183314593813
Energy: 2.2031533887241874
Energy: 0.3949834581324451
Energy: 0.47967259675998186
Energy: 0.3949834581324451
Energy: 1.1117371033908865
Energy: 0.39500035746756523
Energy: 0.4833133126813809
Energy: 0.39500035746906387
Energy: 0.9575984617735336
Energy: 1.0429437431740676
Energy: 0.39557464359037
Energy: 1.0429850830103646
Energy: 1.7357072539674705
Energy: 0.39416009868075613
Energy: 0.3937634542430352
Energy: 0.39416009868125573
Energy: 1.034441358222884
Energy: 0.3940339889250692
Energy: 0.3947786014228704
Energy: 0.39403398902293674

minimum gb energy = 0.3936311331334852 eV
minimum distance =  2.44996768576217 Angstroms
sigma value = 113


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

Energy: 0.014775068915465026
Energy: 4.42660182646284
Energy: 0.9338416912103924
Energy: 0.016005329942124644
Energy: 4.363942628155929
Energy: 0.08751205580447911
Energy: 0.6816986625087391
Energy: 0.08751205580560989
Energy: 0.015483646806850807
Energy: 4.504017522307276
Energy: 0.6712690317304443
Energy: 4.504016817412395
Energy: 0.016409162524634202
Energy: 4.353066989611747
Energy: 0.674023712682716
Energy: 4.353066989709334
Energy: 4.381683923430963
Energy: 0.08912236488488043
Energy: 0.67466987473011
Energy: 0.08912236488112543
Energy: 0.015269473076471207
Energy: 4.358907331284123
Energy: 0.6714424062279938
Energy: 4.358907331309278

minimum gb energy = 0.014775068915465026 eV
minimum distance =  0.895621760061975 Angstroms
sigma value = 1