Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855258293449879
cohesive_energy=4.134425479783591
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012807554693691423
Energy: 0.013506496529875229
Energy: 2.378296204220252
Energy: 0.013506496530880638
Energy: 0.013506496529875229
Energy: 0.012967434087424989
Energy: 0.43195200339808293
Energy: 0.012967434087424989
Energy: 2.3782962042231843
Energy: 0.43195200339906037
Energy: 0.43189955436924465
Energy: 0.43195200339710543
Energy: 0.013506496530880638
Energy: 0.012967434087424989
Energy: 0.43195200339710543
Energy: 0.012967434087424989

minimum gb energy = 0.012807554693691423 eV
minimum distance =  2.47011992063524 Angstroms
sigma value = 1


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

Energy: 1.4379865088733075
Energy: 1.2973080823854406
Energy: 1.237030692008975
Energy: 1.2973080823866598
Energy: 1.4967911368888738
Energy: 0.9554535972664137
Energy: 0.9736179893615118
Energy: 0.9554535972725104
Energy: 1.5892281810953854
Energy: 0.9712151884791247
Energy: 0.9591106747856913
Energy: 0.9712151884815634
Energy: 1.3423668116406322
Energy: 0.957628405149104
Energy: 0.9713277162368383
Energy: 0.9576284051478846
Energy: 1.3837059888932322
Energy: 0.9579077224507216
Energy: 1.348034906184952
Energy: 0.957907722451941
Energy: 1.5117994012023168
Energy: 0.9539039169316994
Energy: 0.952961533934527
Energy: 0.9539039169280412
Energy: 1.1439067661241489
Energy: 1.1093051113556553
Energy: 0.9529946639016466
Energy: 1.1093051113532166
Energy: 0.9579161295746608
Energy: 0.9520809838078541
Energy: 1.3643051521454368
Energy: 0.9520809838054154
Energy: 1.15310660631562
Energy: 1.1116001481704827
Energy: 1.322934648012594
Energy: 1.1116001481680444
Energy: 1.5471164077489588
Energy: 1.2235140799340793
Energy: 1.1782385380926421
Energy: 1.2235140799377375
Energy: 0.9576238159301277
Energy: 1.1130777772512759
Energy: 1.2395097870898872
Energy: 1.1130777772524953
Energy: 0.9578004990280385
Energy: 0.9577186100376897
Energy: 1.861422091075465
Energy: 0.9577186100364703
Energy: 1.1647156882968803
Energy: 1.1137325595558392
Energy: 1.349906840258602
Energy: 1.1137325595521812
Energy: 0.97064510905158
Energy: 1.20767144650898
Energy: 1.4067352412929925
Energy: 1.2076714465077607
Energy: 0.9704978889299187
Energy: 0.9508254773082052
Energy: 1.4908675566600298
Energy: 0.9508254773082052
Energy: 1.0296416527848153
Energy: 0.9517404112988821
Energy: 1.4907183017794432
Energy: 0.951740411295224
Energy: 0.9681439527081259
Energy: 1.2256018002150524
Energy: 1.408423451629809
Energy: 1.2256018002138331
Energy: 1.1596186104795405
Energy: 1.1864748423569575
Energy: 1.3508846399390615
Energy: 1.1864748423606155
Energy: 0.960926060581066
Energy: 0.9577802991233861
Energy: 1.9178781771343614
Energy: 0.9577802991270442
Energy: 0.9576732154677079
Energy: 1.0200161826863838
Energy: 1.154632015551952
Energy: 1.0200161826851644
Energy: 1.5203213287113717
Energy: 1.2236810098951765
Energy: 1.1716255222131713
Energy: 1.2236810098939572
Energy: 1.1506457157325853
Energy: 1.103306546492992
Energy: 1.3222208970644815
Energy: 1.1033065464954308
Energy: 1.063801925024674
Energy: 0.9520723959365457
Energy: 1.1514327803701347
Energy: 0.9520723959365457
Energy: 1.3345025276074114
Energy: 1.1092001161021672
Energy: 0.9530625651576056
Energy: 1.1092001161033866
Energy: 1.4941238735822242
Energy: 0.9535073309179037
Energy: 0.9528775599997741
Energy: 0.953507330915465
Energy: 1.4075590883822582
Energy: 0.959600205856676
Energy: 1.355299999582345
Energy: 0.9596002058542373
Energy: 1.341686092849362
Energy: 0.9576864412760446
Energy: 0.9645345430475681
Energy: 0.9576864412723867
Energy: 1.6686971571684075
Energy: 0.9713529576225446
Energy: 0.9882589134634311
Energy: 0.9713529576213253
Energy: 1.4963089338964461
Energy: 0.9537470501348669
Energy: 0.972029206261629
Energy: 0.9537470501360863
Energy: 1.4331174074287278
Energy: 1.1160544883219494
Energy: 0.9714328002412012
Energy: 1.1160544883219494
Energy: 1.4986633462853585
Energy: 0.955470456035912
Energy: 1.0496136821135613
Energy: 0.9554704560420086
Energy: 1.487472783730812
Energy: 0.9572227252854414
Energy: 0.959727783695339
Energy: 0.9572227252793447
Energy: 1.3834153392798934
Energy: 0.9579383544951156
Energy: 1.0439672449624144
Energy: 0.9579383544914575

minimum gb energy = 0.9508254773082052 eV
minimum distance =  2.32635018184678 Angstroms
sigma value = 1


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

Energy: 1.549648244229358
Energy: 1.0083399773400117
Energy: 1.0210054192543203
Energy: 1.008339977341402
Energy: 1.400012889956231
Energy: 1.1457628933284736
Energy: 1.196536862849543
Energy: 1.1457628933270834
Energy: 1.4082802228584528
Energy: 1.0104826307895463
Energy: 1.0107274701306594
Energy: 1.0104826307895463
Energy: 0.9903266837962332
Energy: 1.1503360136344165
Energy: 1.1964742044584955
Energy: 1.1503360136330263
Energy: 0.9903382957761061
Energy: 1.1498392230363472
Energy: 1.4627984653933863
Energy: 1.1498392230363472
Energy: 1.4252666864763037
Energy: 0.9935503095332112
Energy: 0.9932653234386438
Energy: 0.9935503095332112
Energy: 1.0796526864786933
Energy: 1.0623257875339924
Energy: 0.9933008354723205
Energy: 1.0623257875353826
Energy: 0.9934846617474196
Energy: 0.9935686871962086
Energy: 1.4627985139991595
Energy: 0.9935686871975673
Energy: 1.085025967552879
Energy: 1.1454442028878082
Energy: 1.410316693091284
Energy: 1.1454442028891982
Energy: 1.0478714158912241
Energy: 0.9907157465819627
Energy: 0.9906892773580958
Energy: 0.9907157465819627
Energy: 1.0824424141946876
Energy: 1.150053384221273
Energy: 1.4107532424003437
Energy: 1.1500533842226637
Energy: 1.0823388352095504
Energy: 0.9936567346165174
Energy: 1.7914976864268182
Energy: 0.9936567346165174
Energy: 1.048135420211391
Energy: 1.1454287834733294
Energy: 1.4592830454854482
Energy: 1.1454287834747194
Energy: 1.0481354202072202
Energy: 1.1454681501313344
Energy: 1.4593221637726739
Energy: 1.1454681501327244
Energy: 1.082157691347109
Energy: 0.9935615602207043
Energy: 1.7913906691662838
Energy: 0.9935615602207043
Energy: 1.0824503629690205
Energy: 1.1499918859408187
Energy: 1.410442405184403
Energy: 1.1499918859408187
Energy: 1.0478714159023463
Energy: 0.9907180251455844
Energy: 0.9906924817039274
Energy: 0.9907180251455844
Energy: 1.010523306751033
Energy: 1.1454511760012098
Energy: 1.4104123279657719
Energy: 1.1454511760012098
Energy: 0.9934871032225211
Energy: 0.9935783949550597
Energy: 1.4627985102193382
Energy: 0.9935783949536694
Energy: 1.0797956828732969
Energy: 1.062309993232182
Energy: 0.9933017772716443
Energy: 1.0623099932307918
Energy: 1.4085966526216986
Energy: 0.9935162934371357
Energy: 0.9932613271241628
Energy: 0.9935162934371357
Energy: 0.9903137560413093
Energy: 1.1497080979943095
Energy: 1.4627986111454585
Energy: 1.149708097992919
Energy: 0.9903253282077135
Energy: 1.1499776004628408
Energy: 1.196474204461276
Energy: 1.1499776004628408
Energy: 1.4173383452266448
Energy: 1.01048277825645
Energy: 1.010525501699387
Energy: 1.01048277825645
Energy: 1.3999566550121665
Energy: 1.145767060725542
Energy: 1.196536862855104
Energy: 1.145767060725542
Energy: 1.5496482442279678
Energy: 1.0083399773427921
Energy: 1.0210054197893523
Energy: 1.008339977341402
Energy: 1.4000128899576212
Energy: 1.1457628933270834
Energy: 1.196536862849543
Energy: 1.1457628933284736
Energy: 1.408280222859843
Energy: 1.0104826307895463
Energy: 1.0107274701306594
Energy: 1.0104826307895463
Energy: 0.9903266837948427
Energy: 1.1503360136344165
Energy: 1.1964742044584955
Energy: 1.1503360136344165

minimum gb energy = 0.9903137560413093 eV
minimum distance =  2.26428185561211 Angstroms
sigma value = 25


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

Energy: 1.3883457895633766
Energy: 1.1721548462129623
Energy: 1.5179809635374926
Energy: 1.1721548462145785
Energy: 1.5129370799751585
Energy: 1.0564177170739348
Energy: 1.2690749747171801
Energy: 1.0564177170739348
Energy: 1.513072259528622
Energy: 1.0715969400147685
Energy: 1.101315856394574
Energy: 1.0715969400147685
Energy: 1.3159311057791954
Energy: 1.049509467758823
Energy: 1.1030656159204215
Energy: 1.0495094677604389
Energy: 1.3150099280724314
Energy: 1.0492021602442592
Energy: 1.3175380111457033
Energy: 1.0492021602442592
Energy: 1.5103466754133485
Energy: 1.056556154141246
Energy: 1.0563611700582005
Energy: 1.0565561541444786
Energy: 1.0689367554602542
Energy: 1.0521223292118773
Energy: 1.0563792762770126
Energy: 1.0521223292134936
Energy: 1.0612756658860834
Energy: 1.0690012202394836
Energy: 1.5500154604983294
Energy: 1.0690012202411
Energy: 1.2073392622125052
Energy: 1.1387748797220514
Energy: 1.3191784244422609
Energy: 1.1387748797236674
Energy: 1.152645431420466
Energy: 1.0566369895738712
Energy: 1.374908695818792
Energy: 1.0566369895754875
Energy: 1.1163969954300925
Energy: 1.1392480255048483
Energy: 1.5088787091269016
Energy: 1.1392480255048483
Energy: 1.1691561123457168
Energy: 1.069191950421856
Energy: 1.506758203982375
Energy: 1.0691919504250884
Energy: 1.1527050689454172
Energy: 1.0564508122285614
Energy: 1.3654976098998537
Energy: 1.0564508122301777
Energy: 1.130979000023994
Energy: 1.0496202618332797
Energy: 1.3193065688166774
Energy: 1.0496202618332797
Energy: 1.0689957484974657
Energy: 1.0691330703665662
Energy: 1.7666352604510922
Energy: 1.0691330703665662
Energy: 1.068912385325336
Energy: 1.049253619216233
Energy: 1.0563966313489583
Energy: 1.0492536192146167
Energy: 1.7858947838483603
Energy: 1.0568165417072708
Energy: 1.056523641060803
Energy: 1.0568165417072708
Energy: 1.3186579997720231
Energy: 1.0520945137050355
Energy: 1.3157826537264352
Energy: 1.0520945137034194
Energy: 1.2117779022027546
Energy: 1.0518325184688264
Energy: 1.1030684933859842
Energy: 1.0518325184688264
Energy: 1.3416686338697508
Energy: 1.0567205473845367
Energy: 1.0730329860360561
Energy: 1.0567205473813412
Energy: 1.5148215245822494
Energy: 1.056708370426585
Energy: 1.12873122760097
Energy: 1.0567083704282012
Energy: 1.3860435199007237
Energy: 1.0569359617639402
Energy: 1.1010984156871326
Energy: 1.0569359617639402
Energy: 1.514273369836309
Energy: 1.1449350821130384
Energy: 1.2059130371248308
Energy: 1.1449350821146544
Energy: 1.5153882196669588
Energy: 1.0712179744964787
Energy: 1.100167622494637
Energy: 1.071217974498095
Energy: 1.3149574487558153
Energy: 1.0492638369609821
Energy: 1.0634872591683882
Energy: 1.0492638369609821

minimum gb energy = 1.0492021602442592 eV
minimum distance =  2.33252644557951 Angstroms
sigma value = 9


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

Energy: 1.0877715190635389
Energy: 1.0870350617408795
Energy: 1.1654969728686297
Energy: 1.0870350617408795
Energy: 1.086581132513495
Energy: 1.1014404272406604
Energy: 1.1017986909108246
Energy: 1.101440427240463
Energy: 1.2135557361170641
Energy: 1.1423824932634814
Energy: 1.2139231917293194
Energy: 1.142382493263284
Energy: 1.1015675417599944
Energy: 1.1017345703802175
Energy: 1.101868665129234
Energy: 1.1017345703804147
Energy: 1.1016021578980753
Energy: 1.1021290525443783
Energy: 1.1428157662571181
Energy: 1.1021290525445757
Energy: 1.7658846019684487
Energy: 1.1013793981337232
Energy: 1.101541883711233
Energy: 1.101379398134687
Energy: 1.1015050862333167
Energy: 1.1020095288492073
Energy: 1.1016222519758974
Energy: 1.1020095288496015
Energy: 1.2138906034974313
Energy: 1.2123802553398795
Energy: 1.6087797191294202
Energy: 1.2123802553391125
Energy: 1.2372249935036177
Energy: 1.1010207205820264
Energy: 1.0861728786621554
Energy: 1.1010207205826177
Energy: 1.2372344239335438
Energy: 1.0865795711144013
Energy: 1.0867585308023737
Energy: 1.0865795711144013
Energy: 1.1017430614045365
Energy: 1.2005295489102934
Energy: 1.6088162186887605
Energy: 1.2005295489100964
Energy: 1.2142181387713622
Energy: 1.086879888621872
Energy: 1.2146553711089805
Energy: 1.0868798886224635
Energy: 1.4009909344959974
Energy: 1.1016778178946882
Energy: 1.1013731010680494
Energy: 1.1016778178946882
Energy: 1.2145736122076887
Energy: 1.182034164875499
Energy: 1.2145486299747146
Energy: 1.1820341648751267
Energy: 1.1013775516299154
Energy: 1.1015714520186586
Energy: 1.4009909344909803
Energy: 1.1015714520184612
Energy: 1.2146300366367535
Energy: 1.0869007406707543
Energy: 1.214196681797127
Energy: 1.086900740670557
Energy: 1.6086068144753558
Energy: 1.2005720546219085
Energy: 1.1017434929226644
Energy: 1.2005720546222811
Energy: 1.0867691887508648
Energy: 1.0865147398990942
Energy: 1.2372344239337407
Energy: 1.0865147398988972
Energy: 1.0861555477220035
Energy: 1.1010319562535331
Energy: 1.2372249935005284
Energy: 1.1010319562529634
Energy: 1.6087350456948688
Energy: 1.2123736883513416
Energy: 1.2139687044453877
Energy: 1.2123736883515388
Energy: 1.1015957699282921
Energy: 1.1020639150476659
Energy: 1.1014314354238428
Energy: 1.1020639150484326

minimum gb energy = 1.0861555477220035 eV
minimum distance =  2.30136682935221 Angstroms
sigma value = 25


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

Energy: 1.1955153942555858
Energy: 1.4485589200229874
Energy: 1.2567596824683063
Energy: 1.4485589200232314
Energy: 1.568838814396677
Energy: 1.2686801002538308
Energy: 1.2306734399103822
Energy: 1.2686801002540748
Energy: 1.2937149096949692
Energy: 1.224806165599806
Energy: 1.2306194270227966
Energy: 1.2248061655995623
Energy: 1.2078325894261912
Energy: 1.2066033912254526
Energy: 1.224580328498364
Energy: 1.2066033912252085
Energy: 1.2062297731397995
Energy: 1.2687416969960017
Energy: 1.5872451468015996
Energy: 1.2687416969962457
Energy: 1.6587426698878225
Energy: 1.1770495395920222
Energy: 1.1785436811040968
Energy: 1.1770495395927536
Energy: 1.2826538278791684
Energy: 1.2065521292543346
Energy: 1.1776982180047328
Energy: 1.2065521292555268
Energy: 1.2935197928151767
Energy: 1.2761568990489744
Energy: 1.5968796261501448
Energy: 1.276156899049462
Energy: 1.2756949706411131
Energy: 1.1771333572330733
Energy: 1.1769141739746
Energy: 1.1771333572311495
Energy: 1.322217743800105
Energy: 1.1770377751512637
Energy: 1.1768337746091635
Energy: 1.1770377751517513
Energy: 1.2058412138820236
Energy: 1.2061483209889843
Energy: 1.5733324816358063
Energy: 1.206148320989201
Energy: 1.2059265637927212
Energy: 1.1769287410686773
Energy: 1.2244351632337909
Energy: 1.1769287410682168
Energy: 1.480884894331917
Energy: 1.2245890436312368
Energy: 1.2251216242663647
Energy: 1.2245890436302884
Energy: 1.5614937810295644
Energy: 1.1769745729704382
Energy: 1.2797594890826263
Energy: 1.1769745729708985
Energy: 1.3820213893356166
Energy: 1.1771691118315328
Energy: 1.279651661433747
Energy: 1.1771691118319934
Energy: 1.568939927985498
Energy: 1.1928202059630952
Energy: 1.2244661356550512
Energy: 1.1928202059623636
Energy: 1.2061017345974576
Energy: 1.177401536700385
Energy: 1.2250277516922525
Energy: 1.177401536701821

minimum gb energy = 1.1768337746091635 eV
minimum distance =  2.28979277385601 Angstroms
sigma value = 17


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

Energy: 1.512808781034465
Energy: 1.406173974425367
Energy: 1.255044996029653
Energy: 1.406173974425367
Energy: 1.4519466531707579
Energy: 1.2885345649511366
Energy: 1.2790763715555016
Energy: 1.288534564949786
Energy: 1.2402020818599906
Energy: 1.2335203466321083
Energy: 1.2395794318534916
Energy: 1.2335203466334586
Energy: 1.2113182911946174
Energy: 1.2159844368707997
Energy: 1.2775787166152042
Energy: 1.2159844368694495
Energy: 1.238794313172916
Energy: 1.2851413514342085
Energy: 1.4925205104331738
Energy: 1.285141351432858
Energy: 1.620378952826292
Energy: 1.3839467655073843
Energy: 1.2187121182070493
Energy: 1.383946765508735
Energy: 1.3869941778426491
Energy: 1.2102987791813393
Energy: 1.468322926791104
Energy: 1.2102987791826896
Energy: 1.2684874486099076
Energy: 1.2152465413326172
Energy: 1.5276589987543707
Energy: 1.215246541328566
Energy: 1.2555351778938226
Energy: 1.2205226938999967
Energy: 1.2108918772539343
Energy: 1.2205226939013472
Energy: 1.509201817961201
Energy: 1.2899695669565527
Energy: 1.2192681360023176
Energy: 1.2899695669565527
Energy: 1.214811579557653
Energy: 1.2127872717957338
Energy: 1.4757412574008302
Energy: 1.2127872717943833
Energy: 1.211591200274025
Energy: 1.2198403003513314
Energy: 1.326644517103617
Energy: 1.2198403003500118
Energy: 1.509172655015692
Energy: 1.2668175291779085
Energy: 1.3052653047692941
Energy: 1.266817529176558
Energy: 1.2115987423884107
Energy: 1.2125427567392757
Energy: 1.2651509993472043
Energy: 1.2125427567419764
Energy: 1.2116054838392532
Energy: 1.29796128083266
Energy: 1.53722722423574
Energy: 1.2979612808313097
Energy: 1.4912274558842327
Energy: 1.2204574702965172
Energy: 1.2098617807843295
Energy: 1.2204574702951667
Energy: 1.26814137479248
Energy: 1.2192925623081656
Energy: 1.219144613157228
Energy: 1.2192925623081656
Energy: 1.2547246878816185
Energy: 1.2696141229596045
Energy: 1.4689779966814849
Energy: 1.269614122958254
Energy: 1.3290483339370278
Energy: 1.379536166420879
Energy: 1.448843822761366
Energy: 1.3795361664235797
Energy: 1.4960689546252484
Energy: 1.3242748726006104
Energy: 1.4513609086167136
Energy: 1.3242748725965594
Energy: 1.2160229432201626
Energy: 1.23979818141782
Energy: 1.4763542265808172
Energy: 1.2397981814205208
Energy: 1.2156574432896317
Energy: 1.2195058556193354
Energy: 1.2333153335191769
Energy: 1.2195058556166347
Energy: 1.4587734644233814
Energy: 1.2334155850630883
Energy: 1.224577212270217
Energy: 1.2334155850590371
Energy: 1.4562940936991946
Energy: 1.2077387821349699
Energy: 1.4453340269935568
Energy: 1.2077387821363201
Energy: 1.4835223014167658
Energy: 1.213228771124952
Energy: 1.3760747134637579
Energy: 1.213228771124952
Energy: 1.481836320167146
Energy: 1.2384583678288925
Energy: 1.2562412258344198
Energy: 1.2384583678275423
Energy: 1.2158511791666529
Energy: 1.220330108069999
Energy: 1.2250046002809292
Energy: 1.2203301080740498
Energy: 1.215772238310214
Energy: 1.2155029511884832
Energy: 1.5166423577101544
Energy: 1.215502951191184
Energy: 1.2396823516604387
Energy: 1.287990045031566
Energy: 1.4551066952423473
Energy: 1.287990045031566
Energy: 1.2723842795976716
Energy: 1.3856373077438155
Energy: 1.2164735300648448
Energy: 1.3856373077424653

minimum gb energy = 1.2077387821349699 eV
minimum distance =  2.2565863571511 Angstroms
sigma value = 53


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

Energy: 1.1358863235125083
Energy: 1.1659634282269236
Energy: 1.276875369340312
Energy: 1.1659634282275595
Energy: 1.1354387247195248
Energy: 1.1961688886081354
Energy: 1.1360591878144422
Energy: 1.1961688886078174
Energy: 1.6584550686767063
Energy: 1.2519843454259574
Energy: 1.2181786089664834
Energy: 1.2519843454262753
Energy: 1.2181768027575943
Energy: 1.2519729970798514
Energy: 1.6584374785691256
Energy: 1.2519729970807698
Energy: 1.1360442532713748
Energy: 1.1961734744232533
Energy: 1.1351292080664919
Energy: 1.1961734744232533
Energy: 2.4543585517464193
Energy: 1.1659634282256872
Energy: 1.1358863235134267
Energy: 1.165963428226323
Energy: 1.1360591878144422
Energy: 1.1961688886072168
Energy: 1.1354387247179702
Energy: 1.1961688886072168
Energy: 1.2181786089655298
Energy: 1.2519843454256747
Energy: 1.6584550686767063
Energy: 1.2519843454262753
Energy: 1.6584374785688432
Energy: 1.2519729970823241
Energy: 1.2181768027569937
Energy: 1.2519729970817235
Energy: 1.1351292080664919
Energy: 1.1961734744238892
Energy: 1.1360442532704562
Energy: 1.1961734744229353
Energy: 1.1358863235127907
Energy: 1.1659634282269236
Energy: 1.276875369295871
Energy: 1.1659634282269236
Energy: 1.1354387247173343
Energy: 1.1961688886081354
Energy: 1.1360591878144422
Energy: 1.1961688886078174
Energy: 1.6584550686757524
Energy: 1.2519843454262753
Energy: 1.2181786089664834
Energy: 1.2519843454253567

minimum gb energy = 1.1351292080664919 eV
minimum distance =  2.25402511222454 Angstroms
sigma value = 9


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

Energy: 1.370812584136773
Energy: 1.3954991798572198
Energy: 1.8533628589707658
Energy: 1.3954991798549188
Energy: 1.5588986235669866
Energy: 1.3524684022737705
Energy: 1.3465302184334615
Energy: 1.352468402276072
Energy: 1.2928692585825077
Energy: 1.2607430505852026
Energy: 1.259844204782213
Energy: 1.2607430505863533
Energy: 1.3048805736684974
Energy: 1.3341554923868886
Energy: 1.3461752866103451
Energy: 1.334155492383437
Energy: 1.367220696466516
Energy: 1.253898992980617
Energy: 1.5600483692622629
Energy: 1.2538989929863698
Energy: 1.540586796905619
Energy: 1.3480239907664933
Energy: 1.3594117658447595
Energy: 1.3480239907641922
Energy: 1.308977304343901
Energy: 1.3537736598230812
Energy: 1.5635181314738595
Energy: 1.3537736598219305
Energy: 1.2542122131368394
Energy: 1.2700650777082185
Energy: 1.3075801923396448
Energy: 1.270065077703616
Energy: 1.3090832991896313
Energy: 1.31809373893
Energy: 1.3203817962110491
Energy: 1.3180937389276988
Energy: 1.3589987323990782
Energy: 1.2602446044722648
Energy: 1.3985670564763644
Energy: 1.2602446044757165
Energy: 1.2643768348296935
Energy: 1.3464125112621972
Energy: 1.5621446883001575
Energy: 1.3464125112656489
Energy: 1.6365691083408747
Energy: 1.3773758919334147
Energy: 1.3001344476613883
Energy: 1.3773758919334147
Energy: 1.3348452135347277
Energy: 1.2610281388673727
Energy: 1.2635706970389635
Energy: 1.2610281388605213
Energy: 1.3684630099979715
Energy: 1.372144415051046
Energy: 1.3693910305499446
Energy: 1.3721444150521966
Energy: 1.3808701939250954
Energy: 1.270229246469195
Energy: 1.30114828446412
Energy: 1.270229246466894
Energy: 1.5746766679777555
Energy: 1.2615862734578835
Energy: 1.2607453987749413
Energy: 1.2615862734601848
Energy: 1.358369439619303
Energy: 1.345092913525821
Energy: 1.6879608827645733
Energy: 1.3450929135303709
Energy: 1.2667663905382829
Energy: 1.342368566090802
Energy: 1.3759455527381719
Energy: 1.342368566088553
Energy: 1.6039535515605707
Energy: 1.3634328445391999
Energy: 1.30791127307573
Energy: 1.3634328445322965
Energy: 1.294499064429499
Energy: 1.3420030255815492
Energy: 1.3166905905728614
Energy: 1.3420030255861515
Energy: 1.273572238062634
Energy: 1.2714829631466877
Energy: 1.5717006626928167
Energy: 1.2714829631466877
Energy: 1.388882427796784
Energy: 1.3523254498890713
Energy: 1.3566307807105722
Energy: 1.3523254498902217
Energy: 1.4270376735047932
Energy: 1.345895193699899
Energy: 1.3583519030065228
Energy: 1.3458951937010495
Energy: 1.312745867637816
Energy: 1.3111661215025188
Energy: 1.6140475487275456
Energy: 1.3111661215036692
Energy: 1.3054673625158695
Energy: 1.2707273986968486
Energy: 1.2792633848658048
Energy: 1.2707273986945473
Energy: 1.4432905413126889
Energy: 1.2907122184136681
Energy: 1.2807835210649279
Energy: 1.2907122184079154
Energy: 1.4639150978780657
Energy: 1.3456345826146756
Energy: 1.4168061012764532
Energy: 1.3456345826169769
Energy: 1.3696029229165665
Energy: 1.3490088165107408
Energy: 1.4185619889006986
Energy: 1.3490088165107408
Energy: 1.5833705969321252
Energy: 1.2916553747703141
Energy: 1.2962533354146806
Energy: 1.2916553747714645
Energy: 1.3055665665854457
Energy: 1.270717706055036
Energy: 1.2806334397947847
Energy: 1.270717706055036
Energy: 1.2935448319616425
Energy: 1.3340502320104184
Energy: 1.6248295744088403
Energy: 1.3340502320127199
Energy: 1.4265614318008581
Energy: 1.3256963578993095
Energy: 1.3609682466842086
Energy: 1.3256963578981589
Energy: 1.6228534910575196
Energy: 1.347827235221041
Energy: 1.3568724574308813
Energy: 1.3478272352198903
Energy: 1.300461233182375
Energy: 1.2721692549114831
Energy: 1.5743001873871567
Energy: 1.2721692549137844
Energy: 1.2946693843699792
Energy: 1.3422897884091751
Energy: 1.316619083669287
Energy: 1.3422897884057232

minimum gb energy = 1.253898992980617 eV
minimum distance =  2.2302533585311 Angstroms
sigma value = 73


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

Energy: 1.4254030173929406
Energy: 1.3805216167142713
Energy: 1.4702770378061778
Energy: 1.3805216167119065
Energy: 1.4118275238067497
Energy: 1.3617062671786704
Energy: 1.4076391463155569
Energy: 1.3617062671772187
Energy: 1.3290547122079137
Energy: 1.3120806393100217
Energy: 1.2776858633053791
Energy: 1.3120806393113078
Energy: 1.3052784443999894
Energy: 1.271747687556767
Energy: 1.3853773305260377
Energy: 1.2717476875571403
Energy: 1.4731108231425716
Energy: 1.272295710354695
Energy: 1.419855311103078
Energy: 1.272295710353056
Energy: 1.7550427739583805
Energy: 1.3738589354096136
Energy: 1.270337294405219
Energy: 1.3738589354072486
Energy: 1.3254663228091348
Energy: 1.3554632157794697
Energy: 1.4198161281211672
Energy: 1.3554632157790965
Energy: 1.2739653823145713
Energy: 1.2723794655594536
Energy: 1.3675166977195117
Energy: 1.2723794655607188
Energy: 1.5157754226150655
Energy: 1.312003293778929
Energy: 1.4350880786006668
Energy: 1.3120032937794892
Energy: 1.2727936453962168
Energy: 1.3119784562184855
Energy: 1.421940077220513
Energy: 1.3119784562179253
Energy: 1.2720413577201863
Energy: 1.2725324663312463
Energy: 1.7344205322887511
Energy: 1.27253246633052
Energy: 1.4664888349945302
Energy: 1.3642103502183662
Energy: 1.420097995680067
Energy: 1.3642103502182004
Energy: 1.458671670100463
Energy: 1.373949817483889
Energy: 1.2693792328266182
Energy: 1.3739498174835152
Energy: 1.3292511718086628
Energy: 1.4194186754594675
Energy: 1.734512197766248
Energy: 1.4194186754623719
Energy: 1.305242434985128
Energy: 1.2721940453774498
Energy: 1.3219918575868275
Energy: 1.2721940453790885
Energy: 1.4230748450034874
Energy: 1.31186443160831
Energy: 1.3053958198077231
Energy: 1.311864431607397
Energy: 1.4117363693291973
Energy: 1.3647214610379423
Energy: 1.5409383643950947
Energy: 1.3647214610375689
Energy: 1.4129339864962507
Energy: 1.364784767389568
Energy: 1.637753129923536
Energy: 1.364784767389568
Energy: 1.6028116911269261
Energy: 1.3122500095849534
Energy: 1.2871635190503876
Energy: 1.3122500095847667
Energy: 1.3052955201819485
Energy: 1.3684786292742963
Energy: 1.3055732702140335
Energy: 1.3684786292744828
Energy: 1.3292255168546327
Energy: 1.395188174804708
Energy: 1.689871477317931
Energy: 1.395188174805434
Energy: 1.4730624954390068
Energy: 1.3697988294202015
Energy: 1.269455602813168
Energy: 1.36979882941765

minimum gb energy = 1.2693792328266182 eV
minimum distance =  2.20652113678014 Angstroms
sigma value = 7


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

Energy: 1.4793814026629561
Energy: 1.3971733334631224
Energy: 1.555114165367753
Energy: 1.3971733334631224
Energy: 1.4619693747314801
Energy: 1.370938303943741
Energy: 1.382853532828478
Energy: 1.37093830394245
Energy: 1.3816192436019334
Energy: 1.3021120681140146
Energy: 1.3028463491759408
Energy: 1.3021120681140146
Energy: 1.3551680549870786
Energy: 1.2703001934902662
Energy: 1.3052002366370747
Energy: 1.2703001934915572
Energy: 1.423329339566537
Energy: 1.302342276424265
Energy: 1.2703705839215038
Energy: 1.3023422764229744
Energy: 1.7727698662175515
Energy: 1.2704144769297798
Energy: 1.2730045844550726
Energy: 1.2704144769297798
Energy: 1.3374777868512273
Energy: 1.4113010150320668
Energy: 1.6424661870970851
Energy: 1.4113010150333578
Energy: 1.272824798039759
Energy: 1.2701703292465738
Energy: 1.4188162059272211
Energy: 1.2701703292478648
Energy: 1.5011756079137764
Energy: 1.3025277644103306
Energy: 1.3507128458753723
Energy: 1.3025277644103306
Energy: 1.30214691210659
Energy: 1.2707610765002808
Energy: 1.3548988172722503
Energy: 1.2707610765002808
Energy: 1.3044121497234937
Energy: 1.3038905920257975
Energy: 1.4483904820798088
Energy: 1.3038905920245065
Energy: 1.725325182930807
Energy: 1.3603997270414008
Energy: 1.4619020338517723
Energy: 1.3603997270439823
Energy: 1.5897177413610042
Energy: 1.3594813876842633
Energy: 1.4625416252731376
Energy: 1.3594813876842633
Energy: 1.3021809745022592
Energy: 1.4118544105976183
Energy: 1.7062024183623554
Energy: 1.4118544105963273
Energy: 1.3027714007062723
Energy: 1.3567571519098602
Energy: 1.3514535196901405
Energy: 1.3567571519098602
Energy: 1.6492919201501535
Energy: 1.5421867081984917
Energy: 1.348918811247512
Energy: 1.5421867082010734
Energy: 1.269778156709465
Energy: 1.271198846560179
Energy: 1.418594383731748
Energy: 1.271198846560179
Energy: 1.3379102713736915
Energy: 1.3862416216109816
Energy: 1.6406524537877933
Energy: 1.3862416216096907
Energy: 1.769201685148628
Energy: 1.270719833738388
Energy: 1.269631150147739
Energy: 1.270719833738388
Energy: 1.4189987602153011
Energy: 1.3035155761131485
Energy: 1.269797151812018
Energy: 1.30351557611573
Energy: 1.3835755091503055
Energy: 1.4113064649695541
Energy: 1.3636763951483992
Energy: 1.4113064649695541
Energy: 1.3518044699172236
Energy: 1.3031317682906
Energy: 1.3055923717618836
Energy: 1.3031317682906
Energy: 1.542434782032006
Energy: 1.36529432375086
Energy: 1.3647119000766277
Energy: 1.365294323749569
Energy: 1.460770709566778
Energy: 1.4004566280332749
Energy: 1.7303793428304706
Energy: 1.4004566280332749
Energy: 1.4608116112154448
Energy: 1.2702564312224827
Energy: 1.3528813555694494
Energy: 1.2702564312224827
Energy: 1.4477738936953901
Energy: 1.3030874775422514
Energy: 1.3055084741437633
Energy: 1.3030874775422514
Energy: 1.3524392801526277
Energy: 1.2700007903778043
Energy: 1.3021935013809276
Energy: 1.2700007903778043
Energy: 1.4186046081104289
Energy: 1.3027544402655267
Energy: 1.5004350253524827
Energy: 1.3027544402655267
Energy: 1.4193951542941545
Energy: 1.2709075738424294
Energy: 1.2698249677275246
Energy: 1.2709075738411384
Energy: 1.5014968828334514
Energy: 1.4005300351531587
Energy: 1.50155539437547
Energy: 1.4005300351531587
Energy: 1.2698277360931538
Energy: 1.2708866535732444
Energy: 1.4193951542967362
Energy: 1.2708866535732444

minimum gb energy = 1.269631150147739 eV
minimum distance =  2.27328178021695 Angstroms
sigma value = 29


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

Energy: 1.205143435492977
Energy: 1.3700609956756304
Energy: 1.4804237908075983
Energy: 1.3700609956760799
Energy: 1.5778112294542437
Energy: 1.2758711234671607
Energy: 1.2623749086495177
Energy: 1.2758711234671607
Energy: 1.4463415628023244
Energy: 1.233990613716435
Energy: 1.2335085104230212
Energy: 1.233990613716435
Energy: 1.6553873426622225
Energy: 1.3182454558719023
Energy: 1.234586561195582
Energy: 1.3182454558728012
Energy: 1.6745990076400357
Energy: 1.3184393861299286
Energy: 1.234563337646187
Energy: 1.3184393861286297
Energy: 1.5544049020545674
Energy: 1.2326959469243024
Energy: 1.23438642786301
Energy: 1.2326959469234282
Energy: 1.3531832073969525
Energy: 1.2334329709885805
Energy: 1.9201364611469753
Energy: 1.2334329709899043
Energy: 1.202963549072547
Energy: 1.318228169261115
Energy: 1.9209008981574691
Energy: 1.3182281692615645
Energy: 1.5771252983548458
Energy: 1.394560462579744
Energy: 1.2353795621527315
Energy: 1.394560462580194

minimum gb energy = 1.202963549072547 eV
minimum distance =  2.26565927267185 Angstroms
sigma value = 5


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

Energy: 1.4235169557433731
Energy: 1.4096132514006259
Energy: 1.7074888385657794
Energy: 1.4096132514030648
Energy: 1.6127029984452967
Energy: 1.2943711986527329
Energy: 1.3695546635418336
Energy: 1.294371198649075
Energy: 1.3134259871356515
Energy: 1.340265314680629
Energy: 1.3113460857364332
Energy: 1.3402653146830676
Energy: 1.3163584519296154
Energy: 1.3148744576352684
Energy: 1.4343161061231637
Energy: 1.3148744576352684
Energy: 1.2639343944438561
Energy: 1.3156227777424683
Energy: 1.2908884488215553
Energy: 1.315622777743688
Energy: 1.3519347508831294
Energy: 1.3278508716947577
Energy: 1.2894306001846103
Energy: 1.3278508716947577
Energy: 1.3770071362177216
Energy: 1.313323418572846
Energy: 1.4361406573096633
Energy: 1.313323418572846
Energy: 1.3779257174765813
Energy: 1.3136065651844058
Energy: 1.528349191420872
Energy: 1.3136065651831863
Energy: 1.5739101906946633
Energy: 1.294595511693823
Energy: 1.3829120467453115
Energy: 1.2945955116852876
Energy: 1.5258392569532793
Energy: 1.2939007682932784
Energy: 1.3834751751430054
Energy: 1.2939007682884012
Energy: 1.3061744456753337
Energy: 1.3144557558549748
Energy: 1.4686818763685447
Energy: 1.314455755856194
Energy: 1.305313546011581
Energy: 1.34651209532738
Energy: 1.2851662704276574
Energy: 1.3465120953261607
Energy: 1.4473755218991935
Energy: 1.3452986090945949
Energy: 1.2835376277289268
Energy: 1.3452986090921562
Energy: 1.2834936638196535
Energy: 1.3163339393210083
Energy: 1.2848435769026518
Energy: 1.3163339393246667
Energy: 1.304441844869134
Energy: 1.43075871496227
Energy: 1.5175329419465615
Energy: 1.43075871496227
Energy: 1.622618261357475
Energy: 1.374034332644844
Energy: 1.3826085281961686
Energy: 1.3740343326472826
Energy: 1.5438651575313604
Energy: 1.2991367516996537
Energy: 1.529463968605749
Energy: 1.299136751697215
Energy: 1.3056938507940958
Energy: 1.3411785729845573
Energy: 1.531316711413084
Energy: 1.3411785729857766
Energy: 1.4059351295297913
Energy: 1.3003896863911837
Energy: 1.3454342692103227
Energy: 1.300389686388745
Energy: 1.3018304894119854
Energy: 1.3399450677947389
Energy: 1.2891530410843857
Energy: 1.3399450677923002
Energy: 1.3089959733222873
Energy: 1.315218488385644
Energy: 1.322571134305243
Energy: 1.3152184883941793
Energy: 1.3782230634220503
Energy: 1.3155807256641068
Energy: 1.301278574245865
Energy: 1.3155807256617238
Energy: 1.3133430667897878
Energy: 1.3301179584580571
Energy: 1.3047503555783122
Energy: 1.330117958460496
Energy: 1.5109013418336241
Energy: 1.3018477148438625
Energy: 1.632096737453839
Energy: 1.3018477148475207
Energy: 1.509896538559851
Energy: 1.3024837008610115
Energy: 1.6903329357578305
Energy: 1.3024837008573535
Energy: 1.3056999595055199
Energy: 1.3147270641329676
Energy: 1.3018961198626802
Energy: 1.3147270641329676
Energy: 1.3157565878128934
Energy: 1.316677696485285
Energy: 1.3047257871929745
Energy: 1.3166776964877236
Energy: 1.3357524189618146
Energy: 1.3147444800941899
Energy: 1.475940102953436
Energy: 1.3147444800941899
Energy: 1.3028670189161993
Energy: 1.3308586882785334
Energy: 1.2871524309951639
Energy: 1.3308586882748754
Energy: 1.5211471295759726
Energy: 1.416293455444115
Energy: 1.3598240254706582
Energy: 1.416293455444115
Energy: 1.3778967117760244
Energy: 1.3411411114518195
Energy: 1.4351259179383185
Energy: 1.341141111453039
Energy: 1.4056073008878274
Energy: 1.2798271302943307
Energy: 1.616037982877533
Energy: 1.27982713029555
Energy: 1.7098617347632168
Energy: 1.2945721149385294
Energy: 1.382467231694201
Energy: 1.2945721149434066

minimum gb energy = 1.2639343944438561 eV
minimum distance =  2.19551384619099 Angstroms
sigma value = 1


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

Energy: 1.294336027770869
Energy: 1.2697101378016566
Energy: 1.5640153200152447
Energy: 1.2697101378016566
Energy: 1.2615011843931125
Energy: 1.3070659534181757
Energy: 1.2917518544845508
Energy: 1.3070659534181757
Energy: 1.3864524060603094
Energy: 1.2717221081014145
Energy: 1.3199908531731694
Energy: 1.2717221080997287
Energy: 1.2841830650955788
Energy: 1.2734230234628385
Energy: 1.2960682060935993
Energy: 1.2734230234611525
Energy: 1.236150947899349
Energy: 1.269055899014808
Energy: 1.2374094967995082
Energy: 1.269055899014808
Energy: 1.2368448116047768
Energy: 1.2371908241236038
Energy: 1.2369215664652038
Energy: 1.2371908241252896
Energy: 1.2973629386815144
Energy: 1.2720028333633107
Energy: 1.3859834443179955
Energy: 1.2720028333633107
Energy: 1.2969359557412883
Energy: 1.271334203039102
Energy: 1.3869566430066722
Energy: 1.2713342030407881
Energy: 1.4438170390029852
Energy: 1.2675135814990128
Energy: 1.2827707461156925
Energy: 1.2675135814973268
Energy: 1.4438170390029852
Energy: 1.2671893325496046
Energy: 1.2828989454755255
Energy: 1.2671893325512906
Energy: 1.2969321976510264
Energy: 1.2713580702788023
Energy: 1.3869566430066722
Energy: 1.2713580702788023
Energy: 1.2973612717320744
Energy: 1.2719157172337983
Energy: 1.3859834443129375
Energy: 1.2719157172337983
Energy: 1.2368399643741192
Energy: 1.2372799168948045
Energy: 1.2368840166831352
Energy: 1.2372799168964905
Energy: 1.2361518763712218
Energy: 1.2695647669623105
Energy: 1.2373274197571256
Energy: 1.2695647669623105
Energy: 1.2841665995945912
Energy: 1.273415345803235
Energy: 1.296068728215241
Energy: 1.273415345803235
Energy: 1.3864524060603094
Energy: 1.2717005213598989
Energy: 1.3199596341086341
Energy: 1.2717005213598989
Energy: 1.2614991838350404
Energy: 1.30709357445928
Energy: 1.291755013461491
Energy: 1.30709357445928
Energy: 1.294336027769183
Energy: 1.2697101378016566
Energy: 1.564015307571768
Energy: 1.2697101378016566
Energy: 1.2615011843931125
Energy: 1.3070659534198614
Energy: 1.2917518544845508
Energy: 1.3070659534181757
Energy: 1.3864524060603094
Energy: 1.2717221080997287
Energy: 1.3199908531731694
Energy: 1.2717221081014145
Energy: 1.2841830650955788
Energy: 1.2734230234611525
Energy: 1.2960682060935993
Energy: 1.2734230234611525
Energy: 1.236150947899349
Energy: 1.269055899014808
Energy: 1.2374094967995082
Energy: 1.269055899014808
Energy: 1.2368448116064628
Energy: 1.2371908241252896
Energy: 1.2369215664652038
Energy: 1.2371908241252896
Energy: 1.2973629386798282
Energy: 1.2720028333633107
Energy: 1.3859834443129375
Energy: 1.2720028333633107

minimum gb energy = 1.236150947899349 eV
minimum distance =  2.21315523607201 Angstroms
sigma value = 17


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

Energy: 1.4747172371642356
Energy: 1.2996667307552878
Energy: 1.8326708991590164
Energy: 1.2996667307521617
Energy: 1.5354195910202553
Energy: 1.366463687361151
Energy: 1.3830320569855277
Energy: 1.366463687362193
Energy: 1.275938316177401
Energy: 1.2836284024938367
Energy: 1.2960463300231806
Energy: 1.283628402494879
Energy: 1.3194774352667467
Energy: 1.2740507096854112
Energy: 1.448183960502147
Energy: 1.2740507096864535
Energy: 1.287326724472677
Energy: 1.276858229953655
Energy: 1.2887454642686893
Energy: 1.2768582299526132
Energy: 1.2975052065340003
Energy: 1.2869347214474585
Energy: 1.2853051897465582
Energy: 1.2869347214485005
Energy: 1.2895843358614287
Energy: 1.2779707899836352
Energy: 1.2566130289619803
Energy: 1.277970789984677
Energy: 1.2875557088840588
Energy: 1.2786277968086404
Energy: 1.2846768334694891
Energy: 1.278627796807598
Energy: 1.3618114010673612
Energy: 1.2768239750329067
Energy: 1.4409096464258093
Energy: 1.2768239750329067
Energy: 1.3069987481495229
Energy: 1.2764664660034923
Energy: 1.4432945261058494
Energy: 1.2764664659993241
Energy: 1.3435182542625614
Energy: 1.2707963519945649
Energy: 1.4835057585383549
Energy: 1.270796351996649
Energy: 1.3415846702346195
Energy: 1.2704547464731042
Energy: 1.33506892746798
Energy: 1.2704547464741462
Energy: 1.3007665837354514
Energy: 1.2832445048708092
Energy: 1.2923717476471097
Energy: 1.283244504866641
Energy: 1.264280165173959
Energy: 1.2767196170028854
Energy: 1.2923608657024754
Energy: 1.2767196170070536
Energy: 1.268593410784717
Energy: 1.2926221762716412
Energy: 1.2846433303924507
Energy: 1.2926221762716412
Energy: 1.2661855305944838
Energy: 1.2774634678186423
Energy: 1.2688008436263645
Energy: 1.2774634678238526
Energy: 1.434311422603621
Energy: 1.2620575119613116
Energy: 1.3207961323476505
Energy: 1.2620575119602697
Energy: 1.3343807066557503
Energy: 1.2899344371949524
Energy: 1.4856487677692753
Energy: 1.2899344372001627
Energy: 1.3738701465471062
Energy: 1.2676610881127477
Energy: 1.381693256341861
Energy: 1.2676610881106636
Energy: 1.6837218795883853
Energy: 1.277576209856722
Energy: 1.3455069782205515
Energy: 1.277576209856722
Energy: 1.3674508552145328
Energy: 1.295353709311504
Energy: 1.5272439587371156
Energy: 1.2953537093062937
Energy: 1.2799873606555374
Energy: 1.276245455393819
Energy: 1.2565064717965497
Energy: 1.276245455396945
Energy: 1.391236448813469
Energy: 1.287975929219958
Energy: 1.3401381752590837
Energy: 1.2879759292262103
Energy: 1.2741543826262685
Energy: 1.2777788879738576
Energy: 1.2514310159940394
Energy: 1.2777788879748995
Energy: 1.2988895267253666
Energy: 1.2951509996619024
Energy: 1.318295927656787
Energy: 1.2951509996629444
Energy: 1.2771643779432398
Energy: 1.277457824049111
Energy: 1.294625891264261
Energy: 1.2774578240439007
Energy: 1.2733906944046767
Energy: 1.2777086081259266
Energy: 1.337367981493494
Energy: 1.2777086081269686
Energy: 1.4480755262438727
Energy: 1.260984337713891
Energy: 1.3266750463162913
Energy: 1.2609843377149332
Energy: 1.4502600325109458
Energy: 1.261172841363082
Energy: 1.3173749274739845
Energy: 1.2611728413682926
Energy: 1.2761043283774414
Energy: 1.276801870697531
Energy: 1.2906278104022362
Energy: 1.276801870702741
Energy: 1.2782854295688661
Energy: 1.2777877123034502
Energy: 1.33753381118358
Energy: 1.2777877123013661
Energy: 1.2690665088422712
Energy: 1.291218069460761
Energy: 1.280578506588066
Energy: 1.2912180694700919
Energy: 1.2784669402626634
Energy: 1.2784303320801809
Energy: 1.2511915778138076
Energy: 1.2784303320780968
Energy: 1.341804791234483
Energy: 1.2818494075968687
Energy: 1.256675940048591
Energy: 1.2818494075947846
Energy: 1.2878457091446618
Energy: 1.2766793441292446
Energy: 1.2838533409139747
Energy: 1.2766793441354967
Energy: 1.3779922190979683
Energy: 1.257309656776844
Energy: 1.4559622431827315
Energy: 1.2573096567747597
Energy: 1.6995741680613015
Energy: 1.277669494694996
Energy: 1.3453589935396817
Energy: 1.277669494694996
Energy: 1.4539506570508864
Energy: 1.2669771663419802
Energy: 1.4502694720664868
Energy: 1.2669771663398963

minimum gb energy = 1.2511915778138076 eV
minimum distance =  2.20779341367726 Angstroms
sigma value = 89


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

Energy: 1.3817919740406774
Energy: 1.2168627599929838
Energy: 1.49612124979896
Energy: 1.2168627599932629
Energy: 1.320118417513232
Energy: 1.422362516681776
Energy: 1.360245275835756
Energy: 1.4223625166826126
Energy: 1.3174065569614928
Energy: 1.2079092916564513
Energy: 1.2222110270397142
Energy: 1.207909291657288
Energy: 1.239019042434385
Energy: 1.2240731964130556
Energy: 1.3955171610762709
Energy: 1.2240731964130556
Energy: 1.2412508515398049
Energy: 1.2160265068803542
Energy: 1.210635497374316
Energy: 1.216026506880912
Energy: 1.2272805697711822
Energy: 1.324857689564902
Energy: 1.3023882191725353
Energy: 1.324857689563012
Energy: 1.2326297629901921
Energy: 1.2080742118780436
Energy: 1.2105539412039736
Energy: 1.208074211876959
Energy: 1.2320042875310617
Energy: 1.217128175259477
Energy: 1.3498306559432685
Energy: 1.2171281752597558
Energy: 1.318403227994465
Energy: 1.2162464488272848
Energy: 1.2136983406148036
Energy: 1.2162464488278424
Energy: 1.237302389902867
Energy: 1.21603150085919
Energy: 1.2135061378758625
Energy: 1.216031500859469
Energy: 1.3339317592838367
Energy: 1.207946483302742
Energy: 1.34887474375357
Energy: 1.2079464833024631
Energy: 1.3351081294998315
Energy: 1.2083720271452476
Energy: 1.3489605275360708
Energy: 1.2083720271441323
Energy: 1.3175112531198792
Energy: 1.216146645380271
Energy: 1.2140307218466961
Energy: 1.2161466453810765
Energy: 1.3171728064465873
Energy: 1.2159534123066837
Energy: 1.213394134785157
Energy: 1.2159534123058782
Energy: 1.2323211292866494
Energy: 1.2172147255653694
Energy: 1.2710536171411895
Energy: 1.217214725564006

minimum gb energy = 1.2079092916564513 eV
minimum distance =  2.21644191822821 Angstroms
sigma value = 13


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

Energy: 1.2822675246752648
Energy: 1.1748502510942473
Energy: 1.4992476241508268
Energy: 1.1748502510942473
Energy: 1.2578110935162101
Energy: 1.3041375475879142
Energy: 1.2371929752361612
Energy: 1.304137547589057
Energy: 1.2356472469014714
Energy: 1.1432012953904778
Energy: 1.2508967022129447
Energy: 1.1432012953904778
Energy: 1.2210990207839492
Energy: 1.2290722466311217
Energy: 1.2393503536725896
Energy: 1.229072246629979
Energy: 1.1782357036322342
Energy: 1.147882841221535
Energy: 1.1806841392670724
Energy: 1.147882841221535
Energy: 1.2949000839402691
Energy: 1.1461532163217163
Energy: 1.224123316346668
Energy: 1.1461532163205734
Energy: 1.1828254897114154
Energy: 1.1426011759634371
Energy: 1.1902054244212819
Energy: 1.1426011759622945
Energy: 1.1829107649794546
Energy: 1.174717339437853
Energy: 1.1829358358709234
Energy: 1.17471733943671
Energy: 1.1809301754449484
Energy: 1.1475841849730284
Energy: 1.1747323284032192
Energy: 1.1475841849730284
Energy: 1.3678503124208772
Energy: 1.1468052930825041
Energy: 1.244809057164967
Energy: 1.1468052930813615
Energy: 1.2356182315408255
Energy: 1.1432776942586462
Energy: 1.229630397306161
Energy: 1.1432776942597889
Energy: 1.230703847718978
Energy: 1.1425352927958161
Energy: 1.182040971651502
Energy: 1.1425352927958161
Energy: 1.2404829522908718
Energy: 1.1696961254118163
Energy: 1.2660299318884782
Energy: 1.1696961254106735
Energy: 1.2639418196852223
Energy: 1.1712387757119953
Energy: 1.3764935417087156
Energy: 1.1712387757131382
Energy: 1.2362286798088
Energy: 1.142642765811568
Energy: 1.2288034602188083
Energy: 1.142642765811568
Energy: 1.2306379576108644
Energy: 1.1430846926262561
Energy: 1.2349068365027418
Energy: 1.1430846926262561
Energy: 1.2344281939662336
Energy: 1.1472772547066457
Energy: 1.174867594474901
Energy: 1.1472772547077885
Energy: 1.1874870633501817
Energy: 1.1469750314467844
Energy: 1.2539040486633144
Energy: 1.1469750314467844
Energy: 1.1828565887002507
Energy: 1.1432040515151054
Energy: 1.1829635813940997
Energy: 1.1432040515151054
Energy: 1.1829414374971743
Energy: 1.1431891245959613
Energy: 1.1828279354668088
Energy: 1.1431891245948185
Energy: 1.2539215142730893
Energy: 1.1469870587245468
Energy: 1.1875103967900829
Energy: 1.1469870587245468
Energy: 1.1747995005965284
Energy: 1.1472704421116122
Energy: 1.234428193968519
Energy: 1.1472704421116122
Energy: 1.2349068365061702
Energy: 1.1430634271228564
Energy: 1.2306129754624011
Energy: 1.1430634271217135
Energy: 1.2288034602199511
Energy: 1.142604901495481
Energy: 1.2362289509496962
Energy: 1.142604901495481
Energy: 1.3766175277903447
Energy: 1.1712465921108992
Energy: 1.2639418608577622
Energy: 1.1712465921120419
Energy: 1.2660256902204432
Energy: 1.169659724211464
Energy: 1.2404829522863006
Energy: 1.169659724211464
Energy: 1.182128511963079
Energy: 1.142618378866906
Energy: 1.2307731252346843
Energy: 1.1426183788657633
Energy: 1.229630397306161
Energy: 1.143261254219049
Energy: 1.2356502585646523
Energy: 1.143261254219049
Energy: 1.2448594948592513
Energy: 1.146644306732368
Energy: 1.3677094802388678
Energy: 1.146644306732368
Energy: 1.174675494594618
Energy: 1.147581736286527
Energy: 1.1809732123151224
Energy: 1.147581736286527
Energy: 1.182927360098012
Energy: 1.1747152442384705
Energy: 1.1830769650974102
Energy: 1.1747152442373276
Energy: 1.190218181023193
Energy: 1.1425830380878608
Energy: 1.1828247491574568
Energy: 1.1425830380890036
Energy: 1.223929500370914
Energy: 1.1459873862586225
Energy: 1.2948901581055896
Energy: 1.1459873862574796
Energy: 1.180798265228557
Energy: 1.1478785222973282
Energy: 1.1782546921666377
Energy: 1.1478785222961854
Energy: 1.2392603920596712
Energy: 1.22914570367675
Energy: 1.2212143816268446
Energy: 1.2291457036756073

minimum gb energy = 1.1425352927958161 eV
minimum distance =  2.23724265427384 Angstroms
sigma value = 37


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

Energy: 1.3118564428471893
Energy: 1.1234374758471068
Energy: 1.4280619577877718
Energy: 1.1234374758461236
Energy: 1.3135828788586703
Energy: 1.16755868479495
Energy: 1.2361508708170783
Energy: 1.16755868479495
Energy: 1.201093599733415
Energy: 1.0759124476462256
Energy: 1.2388786841699944
Energy: 1.0759124476470077
Energy: 1.265486053175845
Energy: 1.0986649743715984
Energy: 1.2359137109942162
Energy: 1.0986649743713972
Energy: 1.1764415310272385
Energy: 1.0755226613253295
Energy: 1.1969296987716083
Energy: 1.0755226613245474
Energy: 1.2656292859988094
Energy: 1.0829013891006194
Energy: 1.1841025498601012
Energy: 1.0829013891018036
Energy: 1.132694253536263
Energy: 1.076306853595592
Energy: 1.1493589947809566
Energy: 1.076306853595994
Energy: 1.2008215011672816
Energy: 1.1457881053465835
Energy: 1.2152345034194074
Energy: 1.1457881053460024
Energy: 1.1344718048743596
Energy: 1.0756876705345235
Energy: 1.1735090116858526
Energy: 1.0756876705355065
Energy: 1.2659859711813268
Energy: 1.0827120866856756
Energy: 1.1731743380612658
Energy: 1.0827120866854747
Energy: 1.15964985371965
Energy: 1.0745888900740022
Energy: 1.1962426290319486
Energy: 1.0745888900742033
Energy: 1.159951961750434
Energy: 1.0833989124793098
Energy: 1.252907735379333
Energy: 1.083398912481276
Energy: 1.2015013527300213
Energy: 1.0746558202643863
Energy: 1.2310778801691042
Energy: 1.0746558202640066
Energy: 1.1453088885706035
Energy: 1.0745075398586414
Energy: 1.2311424967883602
Energy: 1.0745075398584405
Energy: 1.264382987471833
Energy: 1.1214358273913958
Energy: 1.195616690501116
Energy: 1.1214358273911949
Energy: 1.2412378584895298
Energy: 1.1199713613820177
Energy: 1.1982942025380785
Energy: 1.1199713613814144
Energy: 1.2010984256641088
Energy: 1.0747276173507834
Energy: 1.231181231802858
Energy: 1.0747276173503815
Energy: 1.207914452468672
Energy: 1.074690078349865
Energy: 1.2311322996791174
Energy: 1.074690078350066
Energy: 1.1597096418557216
Energy: 1.0744865056283195
Energy: 1.1956234655997002
Energy: 1.0744865056304866
Energy: 1.159953966635667
Energy: 1.0840507137346411
Energy: 1.1972569649552207
Energy: 1.0840507137346411

minimum gb energy = 1.0744865056283195 eV
minimum distance =  2.23383418071604 Angstroms
sigma value = 25


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

Energy: 1.2486600976916404
Energy: 1.0150794590276926
Energy: 1.2722160205022375
Energy: 1.0150794590261574
Energy: 1.136058879511778
Energy: 1.1616380715573698
Energy: 1.0899072998116675
Energy: 1.1616380715573698
Energy: 1.0895338613789025
Energy: 0.9943089072988259
Energy: 1.2046165983516677
Energy: 0.9943089072957554
Energy: 1.1245656071195413
Energy: 1.0469346828826276
Energy: 1.0890946921767226
Energy: 1.046934682885698
Energy: 1.1287559776856833
Energy: 0.970220257813136
Energy: 1.0737784071156027
Energy: 0.9702202578146714
Energy: 1.124139996598373
Energy: 1.045073368057295
Energy: 1.1294717040896403
Energy: 1.045073368057295
Energy: 1.0401113914860936
Energy: 0.9699665190957735
Energy: 1.1130637101548007
Energy: 0.9699665190957735
Energy: 1.1241938996159573
Energy: 0.9766095029303463
Energy: 1.1619976542680213
Energy: 0.9766095029303463
Energy: 1.0609595909312854
Energy: 0.9699011297727225
Energy: 1.0653903887918346
Energy: 0.9699011297727225
Energy: 1.1244784203765261
Energy: 1.005102490272636
Energy: 1.0845079286340782
Energy: 1.005102490272636
Energy: 1.0571256301308654
Energy: 0.96958995026417
Energy: 1.0701763026373605
Energy: 0.9695899502626347
Energy: 1.1088098276332201
Energy: 0.9736826486802684
Energy: 1.1630013238681982
Energy: 0.9736826486787331
Energy: 1.0428478956099183
Energy: 0.9699615782913273
Energy: 1.0963251260319955
Energy: 0.9699615782913273
Energy: 1.093877796030739
Energy: 0.9746988570407655
Energy: 1.092863502715948
Energy: 0.9746988570423007
Energy: 1.113578208827994
Energy: 0.970676744438459
Energy: 1.0764814371615274
Energy: 0.970676744438459
Energy: 1.1254584972395427
Energy: 0.9705113102136759
Energy: 1.0923766217088768
Energy: 0.9705113102136759
Energy: 1.0895379601264203
Energy: 0.9945715560469118
Energy: 1.171315021321192
Energy: 0.9945715560469118
Energy: 1.0559012312981952
Energy: 1.0295955533150871
Energy: 1.1366279329553075
Energy: 1.0295955533181573
Energy: 1.2131664168417575
Energy: 1.0142500658178812
Energy: 1.0733475780896768
Energy: 1.0142500658178812
Energy: 1.1361395893356172
Energy: 1.0147222059793546
Energy: 1.0922196376744622
Energy: 1.0147222059793546
Energy: 1.089419140705201
Energy: 0.9947378272060816
Energy: 1.1713622815641709
Energy: 0.9947378272076167
Energy: 1.0918836997551005
Energy: 0.992176352828522
Energy: 1.1364950736562298
Energy: 0.9921763528300572
Energy: 1.1137596478140301
Energy: 0.9704449230675188
Energy: 1.0734399521737112
Energy: 0.9704449230690542
Energy: 1.1571909898603319
Energy: 0.9714809295720203
Energy: 1.1283152980491753
Energy: 0.9714809295735556
Energy: 1.0439184321434556
Energy: 0.970549062000905
Energy: 1.09632254015099
Energy: 0.9705490619993696
Energy: 1.1030527178590748
Energy: 0.9734558349937107
Energy: 1.0928792544074304
Energy: 0.9734558349937107

minimum gb energy = 0.9695899502626347 eV
minimum distance =  2.24115399877718 Angstroms
sigma value = 41


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

Energy: 1.2185157610541124
Energy: 0.9420406210039619
Energy: 1.1538684724515547
Energy: 0.9420406210102554
Energy: 1.041060702008971
Energy: 1.1097503553999626
Energy: 1.043103295244248
Energy: 1.1097503554024797
Energy: 1.0067608248828395
Energy: 0.9118437655701755
Energy: 1.143013299365626
Energy: 0.9118437655676581
Energy: 1.033170950867151
Energy: 0.9729323587347232
Energy: 1.0429847511526062
Energy: 0.9729323587397578
Energy: 1.1196183928789454
Energy: 0.900092375594309
Energy: 0.985442720716769
Energy: 0.9000923755930502
Energy: 1.0333470474935487
Energy: 0.9647379813704798
Energy: 1.0386958017192465
Energy: 0.9647379813717384
Energy: 0.9988528306319211
Energy: 0.8863442700115303
Energy: 1.0596918588354594
Energy: 0.8863442700127889
Energy: 1.040923006536566
Energy: 0.9692287631127979
Energy: 1.0386911958014142
Energy: 0.9692287631140566
Energy: 1.0514986370454114
Energy: 0.8881582313013535
Energy: 0.9803347264283154
Energy: 0.8881582313000947
Energy: 1.0782236968257604
Energy: 1.0491958010065863
Energy: 1.0427024740932513
Energy: 1.0491958010065863
Energy: 1.0078414760906964
Energy: 0.8883376964895847
Energy: 1.0057582535549963
Energy: 0.8883376964870672
Energy: 1.0178796917343416
Energy: 0.9079981986574504
Energy: 1.0515622842405452
Energy: 0.9079981986524155
Energy: 1.0121951525308612
Energy: 0.8864184120712613
Energy: 1.0031993646714048
Energy: 0.8864184120687438
Energy: 1.0799406618778518
Energy: 0.8902491737365641
Energy: 1.0409761776139885
Energy: 0.8902491737353054
Energy: 1.0367402348475465
Energy: 0.8865215415780267
Energy: 0.9815008789506046
Energy: 0.8865215415755091
Energy: 1.0328455505892105
Energy: 0.8886534811233355
Energy: 1.0570497355592983
Energy: 0.8886534811233355
Energy: 1.0019638009464067
Energy: 0.8863096178961208
Energy: 1.0456094627791501
Energy: 0.8863096178948622
Energy: 1.0347729962188954
Energy: 0.8869579311915322
Energy: 1.0534520208724552
Energy: 0.8869579311915322
Energy: 1.0941810287095581
Energy: 0.9000291198760946
Energy: 0.9878834611567048
Energy: 0.9000291198723186
Energy: 1.0595508308095967
Energy: 0.9640369959649208
Energy: 0.982594301423107
Energy: 0.964036995968697
Energy: 1.0036073827082697
Energy: 0.9110896913924407
Energy: 1.1178932149809786
Energy: 0.9110896913962168
Energy: 1.014993189187826
Energy: 0.9816035133733506
Energy: 1.04459188871589
Energy: 0.9816035133695745
Energy: 1.1064512166531357
Energy: 0.9411931142800265
Energy: 0.9889688979304456
Energy: 0.9411931142825438
Energy: 1.0674216276964887
Energy: 0.9828714843757949
Energy: 1.0051559434597452
Energy: 0.9828714843770534
Energy: 1.0035811547974547
Energy: 0.911040057114057
Energy: 1.1178553285587978
Energy: 0.911040057110281
Energy: 1.034118492685098
Energy: 0.9123921408639868
Energy: 1.043664385134007
Energy: 0.9123921408602106
Energy: 1.0941720244314286
Energy: 0.9001171538950488
Energy: 0.9893062063655029
Energy: 0.9001171538937899
Energy: 1.0504133160589897
Energy: 0.898717834307928
Energy: 1.0402605138772258
Energy: 0.8987178343104455
Energy: 0.998822961263304
Energy: 0.8864406865859169
Energy: 1.046638233355771
Energy: 0.8864406865909515
Energy: 1.0393965026200336
Energy: 0.8874415074401606
Energy: 1.0381769215493866
Energy: 0.8874415074451955
Energy: 1.0433201652735418
Energy: 0.8863368377205473
Energy: 0.9811907621779793
Energy: 0.8863368377218057
Energy: 1.0322260705469357
Energy: 0.8887333484190714
Energy: 1.0314451780197187
Energy: 0.8887333484178128

minimum gb energy = 0.8863096178948622 eV
minimum distance =  2.24384382364282 Angstroms
sigma value = 15


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

Energy: 1.1474868430108038
Energy: 0.8700758129332077
Energy: 1.0612709766556985
Energy: 0.8700758129321413
Energy: 0.9789415564071853
Energy: 1.0261356391036156
Energy: 0.9629019083281999
Energy: 1.0261356391078806
Energy: 0.9352492874415305
Energy: 0.856323223355332
Energy: 1.090425279322845
Energy: 0.8563232233489342
Energy: 0.9759895224791708
Energy: 0.8985586470188716
Energy: 0.9631821190751891
Energy: 0.8985586470199378
Energy: 1.066039920401229
Energy: 0.8376547126108512
Energy: 0.9162173889748824
Energy: 0.8376547126087186
Energy: 0.9758006636452774
Energy: 0.8977379221520956
Energy: 0.9670707636796488
Energy: 0.897737922153162
Energy: 0.9228859176703192
Energy: 0.8279485477182724
Energy: 1.018117929041339
Energy: 0.8279485477161398
Energy: 0.9701944283168268
Energy: 0.8937837643551859
Energy: 0.9673028452593555
Energy: 0.8937837643530533
Energy: 1.003243663434638
Energy: 0.8191474131252707
Energy: 0.9106126146998426
Energy: 0.8191474131263369
Energy: 0.9704864354893471
Energy: 0.9030898531604379
Energy: 0.970924628569569
Energy: 0.9030898531540402
Energy: 0.9294362026737386
Energy: 0.8187310821347924
Energy: 0.9643108235174414
Energy: 0.818731082133726
Energy: 0.9718111918459775
Energy: 0.8378586364814296
Energy: 1.0055868013365326
Energy: 0.8378586364824957
Energy: 0.9586192292734833
Energy: 0.8206028843896888
Energy: 0.9365641800869602
Energy: 0.8206028843875562
Energy: 0.9917563966574399
Energy: 0.8308234888348335
Energy: 0.9627762783609695
Energy: 0.8308234888369661
Energy: 0.9558150416594047
Energy: 0.8188839498061379
Energy: 0.9306366048053617
Energy: 0.8188839498082705
Energy: 0.9796831173207341
Energy: 0.8340459506341051
Energy: 1.0075693522751237
Energy: 0.8340459506341051
Energy: 0.9329203324918962
Energy: 0.8190979448299291
Energy: 0.9614688927615584
Energy: 0.8190979448235314
Energy: 1.0123850160493002
Energy: 0.8244752560184105
Energy: 0.9755433771431372
Energy: 0.8244752560248083
Energy: 0.989642642845458
Energy: 0.81896752643591
Energy: 0.9132634258745957
Energy: 0.8189675264327111
Energy: 0.9747321336213014
Energy: 0.8281785146251082
Energy: 0.9646938578974498
Energy: 0.828178514628307
Energy: 0.9265402746435342
Energy: 0.8276189690297363
Energy: 0.996193121064883
Energy: 0.8276189690286699
Energy: 0.9624115560809435
Energy: 0.8940183436127298
Energy: 0.9826164033349442
Energy: 0.8940183436084647
Energy: 1.0460209574687915
Energy: 0.8377136663068504
Energy: 0.9177691613747984
Energy: 0.8377136663047179
Energy: 0.9706468524290871
Energy: 0.8968952889575653
Energy: 0.9658069636956512
Energy: 0.8968952889575653
Energy: 0.9337566676588337
Energy: 0.8561269333880865
Energy: 1.0362234972751259
Energy: 0.8561269333859539
Energy: 0.9406076411930953
Energy: 0.9076525066648686
Energy: 0.9848755516320347
Energy: 0.9076525066616697
Energy: 1.1069992047171409
Energy: 0.869402612806928
Energy: 0.9188310053366874
Energy: 0.8694026128058618
Energy: 0.9792145662396828
Energy: 0.8786780870602549
Energy: 0.9670958238103141
Energy: 0.8786780870591885
Energy: 0.9395450462679814
Energy: 0.855924434988309
Energy: 1.0352453473221024
Energy: 0.8559244349893754
Energy: 0.9633279763052205
Energy: 0.9015626828210098
Energy: 0.9846503886084402
Energy: 0.9015626828263413
Energy: 1.0461321235131062
Energy: 0.8377707449679779
Energy: 0.9188002313664512
Energy: 0.8377707449605138
Energy: 0.970775071195944
Energy: 0.8427425502988948
Energy: 0.9648622423012032
Energy: 0.8427425502946296
Energy: 0.9233864309058608
Energy: 0.82746963740001
Energy: 0.9960221931366086
Energy: 0.8274696373936122
Energy: 0.9658158772763377
Energy: 0.8271961374711783
Energy: 0.9813393084494689
Energy: 0.8271961374690456
Energy: 0.9898365372347533
Energy: 0.8187929370965592
Energy: 0.940839824584743
Energy: 0.8187929370997582
Energy: 0.9729555313976305
Energy: 0.8285033810012927
Energy: 0.9692229818130004
Energy: 0.8285033810002265
Energy: 0.9388170339590036
Energy: 0.8189384731217957
Energy: 0.9615268781972651
Energy: 0.8189384731239283

minimum gb energy = 0.818731082133726 eV
minimum distance =  2.24936902935984 Angstroms
sigma value = 85


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

Energy: 1.1507602436000253
Energy: 0.8321942996890738
Energy: 0.9401632108350955
Energy: 0.8321942996890738
Energy: 0.8921174795704278
Energy: 0.9565190553715911
Energy: 0.906327108858261
Energy: 0.956519055372516
Energy: 0.8354111208086563
Energy: 0.825188374730409
Energy: 1.1031136701849067
Energy: 0.8251883747294841
Energy: 0.8845138260229843
Energy: 0.8123462048047891
Energy: 0.9065033473757628
Energy: 0.8123462048047891
Energy: 1.0517111418068674
Energy: 0.7851457553289918
Energy: 0.8250419341391522
Energy: 0.7851457553308415
Energy: 0.8844701035402982
Energy: 0.8075109793862907
Energy: 0.9017330561561193
Energy: 0.8075109793890651
Energy: 0.8381526023596213
Energy: 0.7840139265367677
Energy: 1.0174122216393562
Energy: 0.7840139265358429
Energy: 0.892596290447762
Energy: 0.8189112449934978
Energy: 0.9018172089383134
Energy: 0.8189112449934978
Energy: 0.9708010124978838
Energy: 0.7581226185995708
Energy: 0.862468772518052
Energy: 0.7581226185995708
Energy: 0.8928769990353894
Energy: 0.8232506455688413
Energy: 0.9052227453845357
Energy: 0.823250645569766
Energy: 0.8354927223617311
Energy: 0.7578993890831496
Energy: 0.9499154739644318
Energy: 0.7578993890831496
Energy: 0.9046060047605664
Energy: 0.8376496735261625
Energy: 0.9053367793607365
Energy: 0.8376496735270871
Energy: 0.90673549916627
Energy: 0.7581730329624915
Energy: 0.8669549117380854
Energy: 0.7581730329634163
Energy: 0.9348764676475458
Energy: 0.7659141809393665
Energy: 0.9056675893764322
Energy: 0.7659141809393665
Energy: 0.8647904976641948
Energy: 0.757950763481061
Energy: 0.9003253660278085
Energy: 0.7579507634801362
Energy: 0.9019733728147904
Energy: 0.763717031355609
Energy: 0.924338331989522
Energy: 0.7637170313583833
Energy: 0.8606587573870865
Energy: 0.7596145890883291
Energy: 0.8934061734777353
Energy: 0.7596145890901786
Energy: 0.9361775630421282
Energy: 0.7639647944547675
Energy: 0.9052064088347385
Energy: 0.7639647944556923
Energy: 0.8974019096893455
Energy: 0.7579619271320827
Energy: 0.8701916741768494
Energy: 0.7579619271330075
Energy: 0.9173556008382993
Energy: 0.7482172257016791
Energy: 0.9352506734678858
Energy: 0.7482172257026038
Energy: 0.8365273206758841
Energy: 0.7579709161393821
Energy: 0.9346725165487065
Energy: 0.7579709161393821
Energy: 0.893492714066986
Energy: 0.7487902283029437
Energy: 0.9042568377892822
Energy: 0.7487902283010942
Energy: 0.9422426486107144
Energy: 0.7577475415690147
Energy: 0.8609885877844977
Energy: 0.7577475415690147
Energy: 0.9165484254461367
Energy: 0.8243646763034984
Energy: 0.8771428810666416
Energy: 0.8243646763007242
Energy: 0.8406595406587065
Energy: 0.78361099283267
Energy: 0.987122430232897
Energy: 0.7836109928317454
Energy: 0.8846888786698396
Energy: 0.8081969334426699
Energy: 0.9018252746390795
Energy: 0.8081969334398955
Energy: 0.9829801906645117
Energy: 0.7847942203053889
Energy: 0.8261472501755471
Energy: 0.7847942203044643
Energy: 0.9241047821482139
Energy: 0.8226384588800801
Energy: 0.8685880344034511
Energy: 0.8226384588782306
Energy: 0.8340753563274049
Energy: 0.8254559783002047
Energy: 1.0465300919109746
Energy: 0.8254559783002047
Energy: 0.8722917662942734
Energy: 0.8174641544952007
Energy: 0.9064997515406487
Energy: 0.8174641544961256
Energy: 0.9522242896357809
Energy: 0.8320518072336429
Energy: 0.8272625511932743
Energy: 0.832051807229019
Energy: 0.9412453096448848
Energy: 0.8361970680434008
Energy: 0.8687282023377706
Energy: 0.8361970680443254
Energy: 0.8342951230641944
Energy: 0.8254012380209558
Energy: 1.0465452067885828
Energy: 0.8254012380200311
Energy: 0.8846179820899333
Energy: 0.7668417847313586
Energy: 0.9064937010490356
Energy: 0.7668417847304336
Energy: 0.9830384991999538
Energy: 0.7848854213058154
Energy: 0.8271843920079024
Energy: 0.7848854213067402
Energy: 0.924181877356495
Energy: 0.8244511925626861
Energy: 0.8769412907648321
Energy: 0.824451192563611
Energy: 0.8386425761628983
Energy: 0.7837148927775027
Energy: 0.987201513582631
Energy: 0.7837148927775027
Energy: 0.8952518687502616
Energy: 0.7474649301574121
Energy: 0.9018891407757004
Energy: 0.7474649301583367
Energy: 0.942362326831305
Energy: 0.7579015029118241
Energy: 0.8607309706500594
Energy: 0.7579015029118241
Energy: 0.9166643584875773
Energy: 0.7459159874441933
Energy: 0.8961757591497028
Energy: 0.7459159874432686
Energy: 0.8496756286718078
Energy: 0.7577808574812007
Energy: 0.9345719376767397
Energy: 0.7577808574812007
Energy: 0.9038891098435043
Energy: 0.7488630396838489
Energy: 0.9043417837010483
Energy: 0.7488630396856986
Energy: 0.8973894565287617
Energy: 0.7457981847208294
Energy: 0.8690162303760938
Energy: 0.7457981847226789

minimum gb energy = 0.7457981847208294 eV
minimum distance =  2.25180507414115 Angstroms
sigma value = 113


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

Energy: 0.014497029730163242
Energy: 0.014532201459348642
Energy: 1.4812109785617202
Energy: 0.014532201459348642
Energy: 0.015075244943750657
Energy: 0.789497335823786
Energy: 0.015075244945133025
Energy: 0.7894973358210212
Energy: 1.3642989264422671
Energy: 0.014532201458637711
Energy: 0.014497029729452311
Energy: 0.014532201459348642
Energy: 0.01507524494442209
Energy: 0.7894973358272617
Energy: 0.01507524494442209
Energy: 0.789497335818928
Energy: 0.014497029729452311
Energy: 0.014532201458637711
Energy: 1.4812109785624312
Energy: 0.014532201459348642
Energy: 0.01507524494442209
Energy: 0.7894973358258794
Energy: 0.01507524494442209
Energy: 0.7894973358231147

minimum gb energy = 0.014497029729452311 eV
minimum distance =  2.4175476753609 Angstroms
sigma value = 1