Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.653344042599202
cohesive_energy=3.2744465747796214
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.012417503283705543
Energy: 1.3244595479101908
Energy: 0.012417503283705543
Energy: 1.3244595479098837
Energy: 0.012417503283705543
Energy: 1.3244595479101908
Energy: 1.3244595479098837
Energy: 1.505377482951289
Energy: 1.3244595479101908
Energy: 1.5053774829485937
Energy: 1.3244595479098837
Energy: 1.303354289481876
Energy: 0.012417503283705543
Energy: 1.3244595479101908
Energy: 0.012417503283705543
Energy: 1.3244595479098837
Energy: 0.012417503283705543
Energy: 1.3244595479101908
Energy: 1.3244595479101908
Energy: 1.5053774829495148
Energy: 1.3244595479101908
Energy: 1.5053774829495148
Energy: 1.3244595479098837
Energy: 1.303354289481876
Energy: 0.012417503283705543
Energy: 1.3244595479098837
Energy: 0.012417503283705543
Energy: 1.3244595479101908
Energy: 0.012417503283705543
Energy: 1.3244595479098837
Energy: 1.3244595479101908
Energy: 1.3033542894815688
Energy: 1.3244595479098837
Energy: 1.3033542894815688
Energy: 1.3244595479098837
Energy: 1.3033542894821488

minimum gb energy = 0.012417503283705543 eV
minimum distance =  2.3449770875954 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.4886811861315001
Energy: 1.315061484450037
Energy: 1.488681186132239
Energy: 1.3150614844522541
Energy: 1.4886811861307607
Energy: 1.3150614844529935
Energy: 1.5548097379698644
Energy: 1.1892566120864756
Energy: 1.554809737966169
Energy: 1.1892566120864756
Energy: 1.5548097379617343
Energy: 1.1892566120864756
Energy: 1.4300777831023135
Energy: 1.3808740470365763
Energy: 1.4300777831023135
Energy: 1.3808740470380545
Energy: 1.4300777831015745
Energy: 1.3808740470358372
Energy: 1.488013187397128
Energy: 1.2932995414004038
Energy: 1.4880131873978673
Energy: 1.2932995414004038
Energy: 1.4880131873963889
Energy: 1.2932995414004038
Energy: 1.3679073777730109
Energy: 1.4787998683600359
Energy: 1.3679073777730109
Energy: 1.4787998683592964
Energy: 1.3679073777730109
Energy: 1.4787998683578518
Energy: 1.4239383528889353
Energy: 1.2618502900969333
Energy: 1.423938352886718
Energy: 1.261850290095455
Energy: 1.423938352886718
Energy: 1.2618502900984114
Energy: 1.3598623052410688
Energy: 1.445389603100122
Energy: 1.3598623052336776
Energy: 1.4453896031038176
Energy: 1.3598623052329384
Energy: 1.4453896031023394
Energy: 1.2772377127640675
Energy: 1.5420127908369285
Energy: 1.2772377127677632
Energy: 1.5420127908361896
Energy: 1.2772377127648067
Energy: 1.5420127908325274
Energy: 1.441305715079173
Energy: 1.447787141115288
Energy: 1.4413057150784339
Energy: 1.4477871411167662
Energy: 1.4413057150784339
Energy: 1.447787141115288
Energy: 1.1851363474068484
Energy: 1.5272091528457392
Energy: 1.1851363474075873
Energy: 1.527209152850174
Energy: 1.1851363474061092
Energy: 1.5272091528464784
Energy: 1.4285841528560261
Energy: 1.2728795683111567
Energy: 1.42858415268905
Energy: 1.2728795683111567
Energy: 1.428584152394271
Energy: 1.2728795683111567
Energy: 1.1229459240516837
Energy: 1.4657829729966774
Energy: 1.1229459240516837
Energy: 1.4657829729966774
Energy: 1.1229459240509447
Energy: 1.4657829729966774
Energy: 1.5571549897062749
Energy: 1.1027640285248272
Energy: 1.5571549897070138
Energy: 1.1027640285240883
Energy: 1.5571549897077528
Energy: 1.1027640285240883
Energy: 1.2833275264368356
Energy: 1.3608986313202376
Energy: 1.2833275264360964
Energy: 1.3608986313202376
Energy: 1.2833275264368356
Energy: 1.3608986313187592
Energy: 1.6170093716282568
Energy: 1.19095816442268
Energy: 1.6170093716282568
Energy: 1.1909581644241585
Energy: 1.617009371628996
Energy: 1.190958164423419
Energy: 1.6113082068665026
Energy: 1.4199526137854337
Energy: 1.6113082068665026
Energy: 1.4199526137854337
Energy: 1.6113082068650242
Energy: 1.4199526137846943
Energy: 1.4294010068427898
Energy: 1.3940024401511646
Energy: 1.4294010068420508
Energy: 1.394002440148947
Energy: 1.4294010068427898
Energy: 1.3940024401511646
Energy: 1.4291701682470608
Energy: 1.2974891788729614
Energy: 1.4291701682477997
Energy: 1.2974891788729614
Energy: 1.4291701682492781
Energy: 1.297489178875918
Energy: 1.1830550690955486
Energy: 1.2924818504887792
Energy: 1.1830550690992443
Energy: 1.2924818504865618
Energy: 1.183055069097766
Energy: 1.2924818504865618
Energy: 1.4059296820396778
Energy: 1.261699731674626
Energy: 1.4059296820352432
Energy: 1.2616997316783214
Energy: 1.4059296820359821
Energy: 1.2616997316753649
Energy: 1.206248798657683
Energy: 1.4984342298779303
Energy: 1.206248798656944
Energy: 1.4984342296732922
Energy: 1.206248798657683
Energy: 1.4984342288850097
Energy: 1.4395395803364448
Energy: 1.4488005773504884
Energy: 1.4395395803423578
Energy: 1.4488005773497494
Energy: 1.4395395803445752
Energy: 1.4488005773512278
Energy: 1.117557512395766
Energy: 1.5542527955029675
Energy: 1.1175575123950265
Energy: 1.5542527955022283
Energy: 1.1175575123942876
Energy: 1.5542527955044458

minimum gb energy = 1.1027640285240883 eV
minimum distance =  2.35502662367535 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.2468191712640009
Energy: 1.198630195347814
Energy: 1.5251246800556644
Energy: 1.1986263225497016
Energy: 1.2468238358975021
Energy: 1.1985494999511792
Energy: 1.1791772353811094
Energy: 1.3313353589416748
Energy: 1.1787191500745269
Energy: 1.3313353589399932
Energy: 1.178865549227284
Energy: 1.3313353589416748
Energy: 1.261061335831175
Energy: 1.110666613818991
Energy: 1.261061335829073
Energy: 1.110666613824036
Energy: 1.261061335829073
Energy: 1.1106666138114236
Energy: 1.0599808848840222
Energy: 1.0671722685299558
Energy: 1.059945904455065
Energy: 1.067172268519866
Energy: 1.0599446384464963
Energy: 1.0671722685619074
Energy: 1.436717254439789
Energy: 1.164589629534554
Energy: 1.4367172541536013
Energy: 1.1645896295349745
Energy: 1.4367172540006468
Energy: 1.1645896295299294
Energy: 1.2265310728725345
Energy: 1.2562171336729495
Energy: 1.2265310728632857
Energy: 1.2561922104641727
Energy: 1.2265310728683303
Energy: 1.2562171336695862
Energy: 1.1885239451435023
Energy: 1.0638258752603422
Energy: 1.188198038413046
Energy: 1.1181899326620388
Energy: 1.1890786384642473
Energy: 1.063966265863667
Energy: 1.1341487350284625
Energy: 1.0427484291693445
Energy: 1.1341487350284625
Energy: 1.0428538868635344
Energy: 1.1341487350309847
Energy: 1.0428019753603024
Energy: 1.2137896424659926
Energy: 1.2600386082390505
Energy: 1.213789642468515
Energy: 1.260038608241152
Energy: 1.2137896424697763
Energy: 1.2600386082432544
Energy: 1.2316232362684645
Energy: 1.1958624655645276
Energy: 1.2267804166072873
Energy: 1.1962613637559736
Energy: 1.231623236262999
Energy: 1.196216507469324
Energy: 1.1627936991046774
Energy: 1.2539589581531063
Energy: 1.162793699151764
Energy: 1.2539589581510042
Energy: 1.162793699179473
Energy: 1.2539589581514248
Energy: 1.2863736249374196
Energy: 1.280159847553173
Energy: 1.2865901781655487
Energy: 1.280159847553173
Energy: 1.2863736249412034
Energy: 1.2801598475565366
Energy: 1.0407738966298745
Energy: 1.264188183759854
Energy: 1.0407949106529553
Energy: 1.2641881837577522
Energy: 1.040888175684535
Energy: 1.264188183758593
Energy: 1.513159124363729
Energy: 1.1851969960323816
Energy: 1.5131591243603657
Energy: 1.1849410082159393
Energy: 1.5131591243603657
Energy: 1.184881654662312
Energy: 1.4689913609766247
Energy: 1.3306611371156
Energy: 1.4689913519001376
Energy: 1.3306611371206452
Energy: 1.4689913496733535
Energy: 1.3306611371206452
Energy: 1.2598083738096308
Energy: 1.1018788732473284
Energy: 1.2598083738066879
Energy: 1.1018788732435447
Energy: 1.2598083738071084
Energy: 1.10187887322883
Energy: 1.2139352786900466
Energy: 1.058512642048395
Energy: 1.2141140360034637
Energy: 1.0585126420509174
Energy: 1.2139165301817818
Energy: 1.0585126420404072
Energy: 1.1735708980548791
Energy: 1.2607029890321058
Energy: 1.1735839970372413
Energy: 1.2597892671489357
Energy: 1.1736151990584203
Energy: 1.2607029890321058
Energy: 1.2279850130605336
Energy: 1.2102554233557703
Energy: 1.2279850130609542
Energy: 1.2672834861602245
Energy: 1.2279850130525458
Energy: 1.2102554233587133
Energy: 1.2000274090309424
Energy: 1.5952990379951872
Energy: 1.1994869124338337
Energy: 1.5167008353114277
Energy: 1.200067322427508
Energy: 1.5952990379993919
Energy: 1.1337840168823294
Energy: 1.177469205860926
Energy: 1.133784016884011
Energy: 1.177493345797283
Energy: 1.1337840168827498
Energy: 1.1774630132822386
Energy: 1.1110461623507066
Energy: 1.261216688970464
Energy: 1.1110461623494452
Energy: 1.2612166889700434
Energy: 1.111046162341037
Energy: 1.26121668896668
Energy: 1.2505650929828707
Energy: 1.0572618574451706
Energy: 1.2505748875621623
Energy: 1.0573376874312925
Energy: 1.2505650929828707
Energy: 1.057263279395735
Energy: 1.3746611847742485
Energy: 1.441635949819269
Energy: 1.3746611847813957
Energy: 1.441635949818849
Energy: 1.3746611847767711
Energy: 1.441635949815906
Energy: 1.2603643481435851
Energy: 1.2551312068879161
Energy: 1.2600349165373417
Energy: 1.255131206893802
Energy: 1.2603643481477889
Energy: 1.255131206893802
Energy: 1.1909625481764252
Energy: 1.196180573720578
Energy: 1.0680246820226953
Energy: 1.1960825190183035
Energy: 1.190651213222746
Energy: 1.1961039802812665
Energy: 1.1787004612667995
Energy: 1.1019492334216274
Energy: 1.0494520786459685
Energy: 1.1019539552103605
Energy: 1.1786952198819782
Energy: 1.1019287671868834
Energy: 1.260336772746358
Energy: 1.3640770030179052
Energy: 1.260336772745517
Energy: 1.364077003018746
Energy: 1.2603367727480395
Energy: 1.364077003018746
Energy: 1.191158015637315
Energy: 1.1112041131404482
Energy: 1.191157120939776
Energy: 1.11120411314213
Energy: 1.1916888281339357
Energy: 1.11120411314213
Energy: 1.250922815997867
Energy: 1.0506529751242795
Energy: 1.2509228159987078
Energy: 1.0506529750074425
Energy: 1.2509228160012302
Energy: 1.0506529748305242
Energy: 1.1890981552267998
Energy: 1.2593657663689226
Energy: 1.1893968137160067
Energy: 1.255920956485638
Energy: 1.1890233590232249
Energy: 1.2593657663731268
Energy: 1.2629943374592643
Energy: 1.0492900770115907
Energy: 1.262994337458003
Energy: 1.1153360660719482
Energy: 1.2629943374571622
Energy: 1.0492942812432475
Energy: 1.1973557580352137
Energy: 1.5166213046794648
Energy: 1.1973350892602386
Energy: 1.1545451636753792
Energy: 1.1968768013490632
Energy: 1.5166213046769421
Energy: 1.3337975680485505
Energy: 1.2254118386976875
Energy: 1.3337975680527547
Energy: 1.2251674342475805
Energy: 1.3337975680544365
Energy: 1.22514869293781
Energy: 1.1054139615881224
Energy: 1.2603268071115041
Energy: 1.1054139615872813
Energy: 1.2603268071106635
Energy: 1.1054139615877019
Energy: 1.260326807113186
Energy: 1.0438942233364232
Energy: 1.2017637818879032
Energy: 1.043894223520068
Energy: 1.2015585666204673
Energy: 1.0438942236163047
Energy: 1.2017767146141967
Energy: 1.260290754063806
Energy: 1.1799691939469084
Energy: 1.260325250874508
Energy: 1.1800310374835365
Energy: 1.2602907540680102
Energy: 1.1799235777441328
Energy: 1.2685584299380226
Energy: 1.2401960388749573
Energy: 1.2685584299376023
Energy: 1.2401960388749573
Energy: 1.2685584299355004
Energy: 1.2401960388858502
Energy: 1.513356510242689
Energy: 1.1873798698744458
Energy: 1.5133565102443707
Energy: 1.1873095096616215
Energy: 1.5133565102447912
Energy: 1.1874094993747806
Energy: 1.1822605481657384
Energy: 1.1335774762785042
Energy: 1.182269286500488
Energy: 1.1335774762814472
Energy: 1.182268744091511
Energy: 1.133577476281027
Energy: 1.2864962268170241
Energy: 1.2151132684391226
Energy: 1.2864962268140814
Energy: 1.2151132684420654
Energy: 1.286496226816604
Energy: 1.2151132684408044

minimum gb energy = 1.0407738966298745 eV
minimum distance =  2.39249290334006 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.443906889680426
Energy: 1.4417104142423955
Energy: 1.443906889679452
Energy: 1.4417104142423955
Energy: 1.443906889680426
Energy: 1.4417104142423955
Energy: 1.5065957061689463
Energy: 1.2742344664928908
Energy: 1.5065957061699202
Energy: 1.2742344664909426
Energy: 1.5065957061689463
Energy: 1.2742344664919167
Energy: 1.3791291402376957
Energy: 1.3989961419501908
Energy: 1.3791291402386698
Energy: 1.398996141951165
Energy: 1.3791291402406178
Energy: 1.3989961419521393
Energy: 1.4088955587876162
Energy: 1.173071388732484
Energy: 1.408895558786642
Energy: 1.1730713887334583
Energy: 1.408895558786642
Energy: 1.173071388732484
Energy: 1.4166519000883309
Energy: 1.4003224127626772
Energy: 1.4166519000883309
Energy: 1.400322412759777
Energy: 1.416651900090279
Energy: 1.400322412759777
Energy: 1.4292348010850133
Energy: 1.4004582352379809
Energy: 1.4292348010859874
Energy: 1.4004582352350585
Energy: 1.4292348010850133
Energy: 1.4004582352389547
Energy: 1.2916647953924882
Energy: 1.4003541761603415
Energy: 1.2916647953944365
Energy: 1.4003541761613156
Energy: 1.2916647953944365
Energy: 1.4003541761613156
Energy: 1.2896431330064733
Energy: 1.4008405705648737
Energy: 1.2896431330064733
Energy: 1.400840570567796
Energy: 1.2896431330054992
Energy: 1.4008405705658478
Energy: 1.5803012676015278
Energy: 1.169251622808507
Energy: 1.580301267602502
Energy: 1.169251622808507
Energy: 1.580301267602502
Energy: 1.169251622808507
Energy: 1.2002508349325263
Energy: 1.5672217895512213
Energy: 1.2002508349315522
Energy: 1.5672217895521954
Energy: 1.2002508349325263
Energy: 1.5672217895521954
Energy: 1.4440445286882513
Energy: 1.17841284983943
Energy: 1.4440391896926636
Energy: 1.17841284983943
Energy: 1.4440380887969968
Energy: 1.17841284983943
Energy: 1.4433776330507364
Energy: 1.4427373201695504
Energy: 1.4433776330507364
Energy: 1.4427373201705245
Energy: 1.4433776330517105
Energy: 1.4427373201685765
Energy: 1.50518128132458
Energy: 1.2756937654340637
Energy: 1.5051812739237838
Energy: 1.2756937654330895
Energy: 1.5051812257722854
Energy: 1.2756937654340637
Energy: 1.3791170865969875
Energy: 1.3168799338200015
Energy: 1.3791170865960134
Energy: 1.3168799338190271
Energy: 1.379117086595039
Energy: 1.3168799338200015
Energy: 1.4091335343673381
Energy: 1.4287278185360173
Energy: 1.4091335343683125
Energy: 1.4287278185360173
Energy: 1.4091335343673381
Energy: 1.4287278185360173
Energy: 1.4157136582966832
Energy: 1.4004035262296028
Energy: 1.4157136582937606
Energy: 1.4004035262296028
Energy: 1.415713658295709
Energy: 1.4004035262276548
Energy: 1.416784994544837
Energy: 1.5273350926740117
Energy: 1.4167849945458113
Energy: 1.5273350926740117
Energy: 1.416784994542889
Energy: 1.5273350926730376
Energy: 1.3761806952342168
Energy: 1.4031266115811492
Energy: 1.376180695235191
Energy: 1.4031266115811492
Energy: 1.3761806952332427
Energy: 1.4031266115811492

minimum gb energy = 1.169251622808507 eV
minimum distance =  2.26221991999768 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.1652354760149854
Energy: 1.1613553171198114
Energy: 1.1652354760155632
Energy: 1.1613553171203892
Energy: 1.165235476016141
Energy: 1.1613553171198114
Energy: 1.2737809071399977
Energy: 1.4409527687496444
Energy: 1.2737809071394197
Energy: 1.4409527687502222
Energy: 1.2737809071382642
Energy: 1.4409527687496444
Energy: 1.101768756681827
Energy: 1.4388506076194019
Energy: 1.1017687566812493
Energy: 1.438850607618824
Energy: 1.1017687566824048
Energy: 1.4388506076194019
Energy: 1.2161663198722206
Energy: 1.101958549185855
Energy: 1.2161663198710648
Energy: 1.1019585491864328
Energy: 1.2161663198722206
Energy: 1.1019585491864328
Energy: 1.144669929893566
Energy: 1.16041815135841
Energy: 1.1446699298929885
Energy: 1.16041815135841
Energy: 1.144669929893566
Energy: 1.1604181513589877
Energy: 1.1446733822351531
Energy: 1.1604899834833
Energy: 1.1446733822351531
Energy: 1.1604899834833
Energy: 1.1446733822351531
Energy: 1.1604899834833
Energy: 1.2160238295949677
Energy: 1.1019826288146608
Energy: 1.2160238295949677
Energy: 1.1019826288146608
Energy: 1.2160238295943901
Energy: 1.1019826288140833
Energy: 1.101890496502761
Energy: 1.4386207835068725
Energy: 1.101890496502761
Energy: 1.4386207835051394
Energy: 1.101890496502183
Energy: 1.4386207835068725
Energy: 1.2738270549136204
Energy: 1.441020993522496
Energy: 1.2738270549130428
Energy: 1.4410209935236515
Energy: 1.2738270549130428
Energy: 1.441020993522496
Energy: 1.1652354760149854
Energy: 1.1613553171198114
Energy: 1.165235476016141
Energy: 1.1613553171198114
Energy: 1.1652354760149854
Energy: 1.1613553171203892
Energy: 1.2737809071382642
Energy: 1.4409527687502222
Energy: 1.2737809071388422
Energy: 1.4409527687490664
Energy: 1.2737809071376867
Energy: 1.4409527687496444
Energy: 1.1017687566824048
Energy: 1.4388506076199796
Energy: 1.1017687566824048
Energy: 1.438850607618824
Energy: 1.101768756681827
Energy: 1.4388506076182463
Energy: 1.2161663198716426
Energy: 1.1019585491864328
Energy: 1.2161663198722206
Energy: 1.101958549185855
Energy: 1.2161663198722206
Energy: 1.1019585491864328
Energy: 1.144669929893566
Energy: 1.160418151357832
Energy: 1.1446699298929885
Energy: 1.16041815135841
Energy: 1.144669929894144
Energy: 1.16041815135841
Energy: 1.1446733822345752
Energy: 1.1604899834827225
Energy: 1.1446733822351531
Energy: 1.1604899834827225
Energy: 1.1446733822345752
Energy: 1.1604899834833
Energy: 1.2160238295949677
Energy: 1.1019826288146608
Energy: 1.2160238295943901
Energy: 1.1019826288146608
Energy: 1.2160238295949677
Energy: 1.1019826288146608
Energy: 1.101890496502761
Energy: 1.4386207835068725
Energy: 1.101890496502761
Energy: 1.438620783506295
Energy: 1.101890496502761
Energy: 1.4386207835074505
Energy: 1.2738270549130428
Energy: 1.4410209935219183
Energy: 1.2738270549136204
Energy: 1.441020993522496
Energy: 1.2738270549141983
Energy: 1.4410209935219183
Energy: 1.1652354760155632
Energy: 1.1613553171198114
Energy: 1.1652354760149854
Energy: 1.1613553171198114
Energy: 1.1652354760149854
Energy: 1.1613553171198114
Energy: 1.2737809071376867
Energy: 1.4409527687496444
Energy: 1.2737809071399977
Energy: 1.4409527687502222
Energy: 1.2737809071382642
Energy: 1.4409527687502222
Energy: 1.101768756681827
Energy: 1.4388506076194019
Energy: 1.101768756681827
Energy: 1.438850607618824
Energy: 1.101768756681827
Energy: 1.4388506076182463
Energy: 1.2161663198716426
Energy: 1.101958549185855
Energy: 1.2161663198710648
Energy: 1.101958549185855
Energy: 1.2161663198716426
Energy: 1.101958549185855
Energy: 1.1446699298929885
Energy: 1.16041815135841
Energy: 1.144669929893566
Energy: 1.160418151357832
Energy: 1.144669929893566
Energy: 1.16041815135841
Energy: 1.1446733822345752
Energy: 1.1604899834827225
Energy: 1.1446733822345752
Energy: 1.1604899834833
Energy: 1.1446733822351531
Energy: 1.1604899834833
Energy: 1.2160238295949677
Energy: 1.1019826288146608
Energy: 1.2160238295943901
Energy: 1.1019826288146608
Energy: 1.2160238295949677
Energy: 1.1019826288146608
Energy: 1.101890496502761
Energy: 1.4386207835045615
Energy: 1.1018904965033385
Energy: 1.4386207835068725
Energy: 1.101890496502183
Energy: 1.4386207835068725
Energy: 1.2738270549136204
Energy: 1.4410209935230738
Energy: 1.2738270549130428
Energy: 1.4410209935236515
Energy: 1.2738270549130428
Energy: 1.441020993522496
Energy: 1.1652354760144075
Energy: 1.1613553171198114
Energy: 1.1652354760155632
Energy: 1.1613553171198114
Energy: 1.1652354760155632
Energy: 1.1613553171198114
Energy: 1.2737809071382642
Energy: 1.4409527687502222
Energy: 1.2737809071388422
Energy: 1.4409527687496444
Energy: 1.2737809071388422
Energy: 1.4409527687508001
Energy: 1.101768756681827
Energy: 1.4388506076199796
Energy: 1.1017687566824048
Energy: 1.4388506076182463
Energy: 1.101768756681827
Energy: 1.438850607618824

minimum gb energy = 1.1017687566812493 eV
minimum distance =  2.2906371364389 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.1042150247203275
Energy: 1.0789217366127606
Energy: 1.1042150247189122
Energy: 1.078921736611345
Energy: 1.1042150247203275
Energy: 1.078921736611345
Energy: 1.2791539514086878
Energy: 1.1124145323698764
Energy: 1.279153951410103
Energy: 1.1124145323684613
Energy: 1.2791539514072723
Energy: 1.1124145323670458
Energy: 1.0335159756219456
Energy: 1.2377032537695645
Energy: 1.2966205348487496
Energy: 1.2377032537695645
Energy: 1.1120850257117174
Energy: 1.2377032537695645
Energy: 1.1987536716892158
Energy: 1.0481343173135598
Energy: 1.1987536716892158
Energy: 1.0481343173135598
Energy: 1.1987536716906313
Energy: 1.0481343173135598
Energy: 1.353261869024442
Energy: 1.048317888273927
Energy: 1.3532618690230267
Energy: 1.048317888273927
Energy: 1.3532618690230267
Energy: 1.048317888273927
Energy: 1.3051475717703234
Energy: 1.3630881367233427
Energy: 1.3051475717703234
Energy: 1.3630881367219274
Energy: 1.305147571771739
Energy: 1.3630881367219274
Energy: 1.2234460972489456
Energy: 1.1156307408173558
Energy: 1.2736495422800924
Energy: 1.1156307408173558
Energy: 1.2736495422815077
Energy: 1.1156307408173558
Energy: 1.1035660420371973
Energy: 1.0776355059376908
Energy: 1.1035660420371973
Energy: 1.077635505939106
Energy: 1.1035660420371973
Energy: 1.0776355059376908
Energy: 1.2471077887530495
Energy: 1.1117377389834404
Energy: 1.2471077863480873
Energy: 1.1117377419048038
Energy: 1.2471077806228004
Energy: 1.111737730113297
Energy: 1.1961291046312355
Energy: 1.308029218369366
Energy: 1.1961291046312355
Energy: 1.3080292183750273
Energy: 1.1961291046312355
Energy: 1.3080292183665676
Energy: 1.2902942229916052
Energy: 1.0510820304769566
Energy: 1.1625391839168275
Energy: 1.0510820304769566
Energy: 1.1625391839168275
Energy: 1.0510820304769566
Energy: 1.305741341023484
Energy: 1.24711286264446
Energy: 1.30574122354974
Energy: 1.2471128626458756
Energy: 1.305740909456945
Energy: 1.2471128626430452

minimum gb energy = 1.0335159756219456 eV
minimum distance =  2.26640375084804 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.1516390101833145
Energy: 0.9893830039248303
Energy: 1.1516390101845073
Energy: 0.9893830039248303
Energy: 1.151639010183712
Energy: 0.9893830039244326
Energy: 1.0502946249762009
Energy: 1.0306688030792106
Energy: 1.050294624966259
Energy: 1.0306688030780178
Energy: 1.0502946249694403
Energy: 0.9735100986704377
Energy: 0.947918523457258
Energy: 1.0754936543820222
Energy: 0.9479185234580535
Energy: 1.0754936543816247
Energy: 0.9479185234576558
Energy: 1.0754936543812268
Energy: 0.9869280612115481
Energy: 0.9495430573008735
Energy: 0.9869280612107527
Energy: 0.9495430573012712
Energy: 0.9869280612107527
Energy: 0.9495430573012712
Energy: 1.0106270881079944
Energy: 0.9896046075271787
Energy: 1.0106270881064034
Energy: 0.9896046075271787
Energy: 1.0106270881091872
Energy: 0.9896046075275764
Energy: 1.085329637097913
Energy: 1.125069260240645
Energy: 1.0853296370963224
Energy: 1.1250692602493935
Energy: 1.0853296370999015
Energy: 1.1250692602430308
Energy: 1.0344845343481017
Energy: 1.0607551674789426
Energy: 1.0344845343449203
Energy: 1.0607551674765567
Energy: 1.0344845343433295
Energy: 1.0607551674753635
Energy: 0.9318322022602205
Energy: 1.0236769089780087
Energy: 0.9318322022614134
Energy: 1.0236769089780087
Energy: 0.9318322022602205
Energy: 1.0236769089780087
Energy: 1.0417389050279717
Energy: 0.9903220642161125
Energy: 1.0417389050236336
Energy: 0.9903220642161125
Energy: 1.041738905033539
Energy: 0.9903220642161125
Energy: 1.0057818792139426
Energy: 1.121861952486704
Energy: 1.0057818792151354
Energy: 1.1218577647663661
Energy: 1.0057818792143403
Energy: 1.1218508820785302
Energy: 0.9848409488513795
Energy: 0.9570146589747051
Energy: 0.9848409488517772
Energy: 0.9570146589747051
Energy: 0.9848409488521751
Energy: 0.9570146589747051
Energy: 0.9632862606695715
Energy: 1.0525430025710167
Energy: 0.9632862606699691
Energy: 1.0525430025686309
Energy: 0.9632862606691738
Energy: 1.0525430025761502
Energy: 1.0626302179760478
Energy: 1.0483271650633148
Energy: 1.0626302179705165
Energy: 1.0483271650613266
Energy: 1.0626302179697211
Energy: 1.0483271650601333
Energy: 1.1431452162509586
Energy: 1.0555963588111799
Energy: 1.1431452162505609
Energy: 1.055596358811975
Energy: 1.1431452162430054
Energy: 1.0555963588111799
Energy: 0.959600976398759
Energy: 1.0116084885464147
Energy: 0.9596009763963729
Energy: 1.0116084885488006
Energy: 0.9596009763971681
Energy: 1.011608488546017
Energy: 0.9602940738061809
Energy: 1.125210337495774
Energy: 0.9602940738153276
Energy: 1.1252103374886162
Energy: 0.9602940738097601
Energy: 1.1252103374878208
Energy: 0.9503349164208287
Energy: 0.9502825212864425
Energy: 0.9501606406822095
Energy: 0.9502825212864425
Energy: 0.9501549461337014
Energy: 0.9502825212884309
Energy: 0.9739971204572676
Energy: 0.9998567357998792
Energy: 0.9739971204592199
Energy: 0.9998567358002769
Energy: 0.9739971204576653
Energy: 0.9998567358002769
Energy: 0.9258557752767569
Energy: 1.2091219097916155
Energy: 0.9258557752755638
Energy: 1.2091219097924106
Energy: 0.9258557752771546
Energy: 1.2091219097959898
Energy: 1.1519543886565207
Energy: 0.9758882689866609
Energy: 1.1519543886553276
Energy: 0.9758882689866609
Energy: 1.151954388653773
Energy: 0.9758882689870586
Energy: 0.9259953148945785
Energy: 1.2089953655635701
Energy: 0.9259953148957714
Energy: 1.2089953655639676
Energy: 0.9259953148941807
Energy: 1.2089953655643655
Energy: 0.9740004379933064
Energy: 0.9998113286665246
Energy: 0.9740004379921132
Energy: 0.9998113286665246
Energy: 0.9740004379925109
Energy: 0.9998113286661269
Energy: 0.9504759115445041
Energy: 0.9504033193960582
Energy: 0.9502693484944413
Energy: 0.9504033193964558
Energy: 0.9504760253968862
Energy: 0.9504033193960582
Energy: 0.9603381042829631
Energy: 1.0361126975639774
Energy: 0.9603381042801793
Energy: 1.0361126975667612
Energy: 0.9603381042754074
Energy: 1.0361126975687496
Energy: 0.9596379019238607
Energy: 1.0118020108003787
Energy: 0.959637901923463
Energy: 1.0118020107987882
Energy: 0.9596379019218721
Energy: 1.0118020107983905
Energy: 1.1431209242185847
Energy: 1.055925360867275
Energy: 1.1431209242197777
Energy: 1.0559253608632981
Energy: 1.143120924218187
Energy: 1.0559253608644914
Energy: 1.0626705846445497
Energy: 1.0481397853334415
Energy: 1.0626705846246662
Energy: 1.0481397853326462
Energy: 1.0626705846218827
Energy: 1.0481397853338394
Energy: 0.9621555774686302
Energy: 0.9600211261054545
Energy: 0.9621555774662441
Energy: 0.9600211261038639
Energy: 0.9621555774678349
Energy: 0.9600211261046593
Energy: 0.9849725636617902
Energy: 0.9565345057865343
Energy: 0.9849725636633807
Energy: 0.956534505786932
Energy: 0.9849725636629831
Energy: 0.956534505786932
Energy: 1.0063655446863056
Energy: 0.9253173441507302
Energy: 1.0063655446851123
Energy: 0.9253173441543093
Energy: 1.0063655446871007
Energy: 0.9253173441662395
Energy: 1.0416499200361724
Energy: 0.9902152286349805
Energy: 1.0416499200373657
Energy: 0.9902152286337873
Energy: 1.0416499200361724
Energy: 0.9902152286341849
Energy: 0.931833669814974
Energy: 1.023586357189816
Energy: 0.9318336698137809
Energy: 1.023586357189816
Energy: 0.9318336698141786
Energy: 1.0235863571902135
Energy: 1.0346099760852894
Energy: 1.0587901089332936
Energy: 1.0346099760848915
Energy: 1.05879010893568
Energy: 1.0346099760844938
Energy: 1.0587901089332936
Energy: 1.0852122047012431
Energy: 0.9731225210994644
Energy: 1.0852122046996528
Energy: 0.973122521098669
Energy: 1.085212204700448
Energy: 0.973122521098669
Energy: 1.010623144804356
Energy: 0.9895661147362491
Energy: 1.0106231448055492
Energy: 0.9895661147362491
Energy: 1.0106231448051517
Energy: 0.9895661147366468
Energy: 0.9871412828837475
Energy: 0.9494032961613365
Energy: 0.9871412828841452
Energy: 0.9494032961613365
Energy: 0.9871412828837475
Energy: 0.9494032961617341
Energy: 0.9479714584092658
Energy: 1.075272609929278
Energy: 0.9479714584112543
Energy: 1.0752726099304712
Energy: 0.9479714584088683
Energy: 1.0752726099253014
Energy: 1.0499704234830347
Energy: 1.0249522201606303
Energy: 1.0499704234842278
Energy: 1.0249522201594372
Energy: 1.0499704234722975
Energy: 1.0249522201582442
Energy: 1.1516390101841094
Energy: 0.9893830039248303
Energy: 1.151639010186098
Energy: 0.9893830039248303
Energy: 1.151639010186098
Energy: 0.9893830039248303
Energy: 1.0502946249789846
Energy: 0.982334312480823
Energy: 1.050294624959101
Energy: 0.9823343124820161
Energy: 1.0502946249602938
Energy: 0.9823343124760511
Energy: 0.9479185234580535
Energy: 1.0754936543800337
Energy: 0.9479185234584512
Energy: 1.0754936543800337
Energy: 0.947918523457258
Energy: 1.0754936543784432
Energy: 0.9869280612099574
Energy: 0.9495430573012712
Energy: 0.986928061210355
Energy: 0.9495430573016689
Energy: 0.9869280612083665
Energy: 0.9495430573012712
Energy: 1.0106270881075965
Energy: 0.9896046075299625
Energy: 1.010627088106006
Energy: 0.9896046075307577
Energy: 1.0106270881064034
Energy: 0.9896046075303601

minimum gb energy = 0.9253173441507302 eV
minimum distance =  2.37783632290042 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.8207775933591079
Energy: 0.7644703700975127
Energy: 0.5318711381396154
Energy: 0.7644703700975127
Energy: 0.8207775933591079
Energy: 0.7644703700957023
Energy: 0.8574517477254334
Energy: 0.7552375799822726
Energy: 0.8574517477254334
Energy: 0.7552375799813674
Energy: 0.8574517477254334
Energy: 0.7552375799768412
Energy: 0.8043085387152183
Energy: 0.9404517618411039
Energy: 0.8043085387161236
Energy: 0.9404517618392934
Energy: 0.8043085387152183
Energy: 0.9404517618401986
Energy: 0.7663128283677616
Energy: 0.5316461940501124
Energy: 0.7663128283668564
Energy: 0.5316461940501124
Energy: 0.7663128283659512
Energy: 0.5316461940519229
Energy: 0.6257749493141037
Energy: 0.8626865547990763
Energy: 0.6257749493159142
Energy: 0.8626865547999816
Energy: 0.6257749493141037
Energy: 0.8626865547972659
Energy: 0.5322060065406119
Energy: 0.8052167355492984
Energy: 0.5322060065397067
Energy: 0.8052167355492984
Energy: 0.5322060065406119
Energy: 0.8052167355483931
Energy: 0.5322776534115683
Energy: 0.5775808153976493
Energy: 0.5322776534133787
Energy: 0.5775808153976493
Energy: 0.5322776534115683
Energy: 0.5775808153985544
Energy: 0.8594599550083636
Energy: 0.627471058192418
Energy: 0.8594599550083636
Energy: 0.627471058192418
Energy: 0.8594599550074583
Energy: 0.627471058192418
Energy: 0.7665224296314618
Energy: 0.5317414751776323
Energy: 0.7665224296341775
Energy: 0.5317414751776323
Energy: 0.7665224296314618
Energy: 0.5317414751785375
Energy: 0.5759595448999021
Energy: 0.9128619598797362
Energy: 0.5759595449008073
Energy: 0.9128619598788309
Energy: 0.5759595448999021
Energy: 0.9128619598779255
Energy: 0.6270842050564641
Energy: 0.7557878839406219
Energy: 0.6270842050555588
Energy: 0.7557878839406219
Energy: 0.6270842050573693
Energy: 0.7557878839423914
Energy: 0.8207775933563921
Energy: 0.7644703700975127
Energy: 0.5318711381405206
Energy: 0.7644703700975127
Energy: 0.8207775933572974
Energy: 0.7644703700966076
Energy: 0.8574517477263385
Energy: 0.7552375799804621
Energy: 0.8574517477263385
Energy: 0.7552375799813674
Energy: 0.8574517477254334
Energy: 0.7552375799804621
Energy: 0.8043085387134079
Energy: 0.9404517618411039
Energy: 0.8043085387143132
Energy: 0.9404517618383883
Energy: 0.8043085387134079
Energy: 0.9404517618392934
Energy: 0.7663128283677616
Energy: 0.5316461940501124
Energy: 0.7663128283677616
Energy: 0.5316461940492071
Energy: 0.7663128283668564
Energy: 0.5316461940510178
Energy: 0.6257749493131984
Energy: 0.8626865547999816
Energy: 0.6257749493150089
Energy: 0.8626865547990763
Energy: 0.6257749493131984
Energy: 0.8626865547981711
Energy: 0.5322060065406119
Energy: 0.8052167355492984
Energy: 0.5322060065397067
Energy: 0.8052167355492984
Energy: 0.5322060065406119
Energy: 0.8052167355492984
Energy: 0.5322776534115683
Energy: 0.5775808153976493
Energy: 0.5322776534124736
Energy: 0.5775808153976493
Energy: 0.5322776534115683
Energy: 0.5775808153976493
Energy: 0.8594599550101742
Energy: 0.6274710581906076
Energy: 0.8594599550092689
Energy: 0.6274710581906076
Energy: 0.8594599550101742
Energy: 0.627471058192418

minimum gb energy = 0.5316461940492071 eV
minimum distance =  2.44318630636365 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.8335903556567497
Energy: 1.0860015532257725
Energy: 0.8335903556574129
Energy: 1.0860015532264358
Energy: 0.8335903556567497
Energy: 1.0860015532270988
Energy: 0.9220722902268392
Energy: 0.8974204441919474
Energy: 0.9220722902235235
Energy: 0.8974204441926105
Energy: 0.9220722902235235
Energy: 0.8974204441919474
Energy: 1.0933781360264725
Energy: 1.1900270729772306
Energy: 1.0933781360264725
Energy: 1.1900270729752411
Energy: 1.0933781360271355
Energy: 1.1900270729792197
Energy: 1.1364482940763216
Energy: 0.7821631553109906
Energy: 1.1364482940769849
Energy: 0.7821631553109906
Energy: 1.1364482940736693
Energy: 0.7821631553116537
Energy: 1.0671930054454057
Energy: 0.7568285303998952
Energy: 1.0671930054454057
Energy: 0.7568285304005582
Energy: 1.0671930054454057
Energy: 0.7568285303998952
Energy: 0.8022757309536466
Energy: 0.7655662619272782
Energy: 0.802275730955636
Energy: 0.7655662619239626
Energy: 0.8022757309516573
Energy: 0.7655662619279412
Energy: 0.750929186874476
Energy: 0.8084553616092692
Energy: 0.7509291868751391
Energy: 0.8084553616092692
Energy: 0.750929186874476
Energy: 0.8084553616072799
Energy: 0.9363183532654628
Energy: 0.7243052220772948
Energy: 0.9363183532621472
Energy: 0.7243052220772948
Energy: 0.9363183532594948
Energy: 0.7243052220779579
Energy: 0.9403363064675194
Energy: 0.7300151630744516
Energy: 0.9403363064688457
Energy: 0.7300151630744516
Energy: 0.9403363064688457
Energy: 0.7300151630751147
Energy: 0.7390188734863518
Energy: 1.1284513003200973
Energy: 0.7390188734856885
Energy: 1.1284513003246788
Energy: 0.7390188734870148
Energy: 1.1284513003194343
Energy: 0.8090849986492931
Energy: 1.046321901358954
Energy: 0.8090849986506194
Energy: 1.0463219013582907
Energy: 0.8090849986519456
Energy: 1.0463219013582907
Energy: 1.0674283072994601
Energy: 0.7593972721226876
Energy: 1.0674283072994601
Energy: 0.7593972721220245
Energy: 1.0674283072994601
Energy: 0.7593972721226876
Energy: 1.0939154375402786
Energy: 0.7886361440721628
Energy: 1.0939154375402786
Energy: 0.7886361440728258
Energy: 1.0939154375402786
Energy: 0.7886361440721628
Energy: 1.1065091948833332
Energy: 1.1625968897945387
Energy: 1.1065091948813441
Energy: 1.1625968897938757
Energy: 1.1065091948833332
Energy: 1.1625968897945387
Energy: 0.9213016571682217
Energy: 0.8949106756520518
Energy: 0.921301657176179
Energy: 0.8949106756527149
Energy: 0.9213016571708741
Energy: 0.8949106756527149
Energy: 0.8003041849141826
Energy: 1.094227815596331
Energy: 0.8003041849141826
Energy: 1.0942278155969338
Energy: 0.8003041849135196
Energy: 1.0942278155969338
Energy: 0.8846700383178492
Energy: 0.9014972925859086
Energy: 0.8846700383205018
Energy: 0.9014972925859086
Energy: 0.8846700383191755
Energy: 0.9014972925865716
Energy: 1.1238266375424049
Energy: 0.8454747291535055
Energy: 1.1238266375404156
Energy: 0.8454747291422928
Energy: 1.123826637543731
Energy: 0.8454747291489241
Energy: 0.981241849279708
Energy: 0.7768476127443571
Energy: 0.9812418492763924
Energy: 0.7768476127443571
Energy: 0.9812418492777187
Energy: 0.7768476127443571
Energy: 1.0679784813530684
Energy: 0.7869562868064952
Energy: 1.067978481350416
Energy: 0.786956286804506
Energy: 1.0679784813510793
Energy: 0.7869562868064952
Energy: 0.7418208056032876
Energy: 0.776310144325986
Energy: 0.7418208056032876
Energy: 0.776310144326649
Energy: 0.7418208056046139
Energy: 0.7763101443253229
Energy: 0.7772161580958673
Energy: 0.8089103976309653
Energy: 0.7772161580892362
Energy: 0.8089103976276497
Energy: 0.7772161580965304
Energy: 0.8089103976276497
Energy: 0.9276754616046949
Energy: 0.9338767171349981
Energy: 0.9276754616046949
Energy: 0.9338767171349981
Energy: 0.9276754616046949
Energy: 0.933876717134335
Energy: 0.9415095949553703
Energy: 0.9141309775610604
Energy: 0.9415095949566965
Energy: 0.9141309775610604
Energy: 0.9415095949553703
Energy: 0.9141309775597343
Energy: 0.7419146569873392
Energy: 1.128801467801883
Energy: 0.7419146569867364
Energy: 1.12880146777144
Energy: 0.7419146569867364
Energy: 1.1288014675878186
Energy: 1.5109774834104779
Energy: 1.0187914537891791
Energy: 1.5109774834091518
Energy: 1.0187914537891791
Energy: 1.5109774834098149
Energy: 1.0187914537918317

minimum gb energy = 0.7243052220772948 eV
minimum distance =  2.32195115546951 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.9342122483638367
Energy: 0.8457923945761009
Energy: 0.9342122483633141
Energy: 0.8457923945750555
Energy: 0.9342122483633141
Energy: 0.8457923945761009
Energy: 0.8757103436341062
Energy: 0.8185596254018228
Energy: 0.8757103436346289
Energy: 0.8185596254023454
Energy: 0.8757103436351514
Energy: 0.8185596254023454
Energy: 1.0382997553523694
Energy: 0.9422755334279835
Energy: 1.0382997553528923
Energy: 0.9422755334295514
Energy: 1.0382997553539375
Energy: 0.9422755334279835
Energy: 0.8655799646494622
Energy: 0.8155501364132357
Energy: 0.8655799646499849
Energy: 0.8155501364132357
Energy: 0.8655799646489396
Energy: 0.8155501364127131
Energy: 0.8099964738010009
Energy: 0.8775899737901782
Energy: 0.8099964738004783
Energy: 0.8775899737901782
Energy: 0.8099964738004783
Energy: 0.8775899737901782
Energy: 0.8614805948951909
Energy: 0.8319763910168443
Energy: 0.8614805948967589
Energy: 0.8319763910157991
Energy: 0.8614805948962363
Energy: 0.8319763910189351
Energy: 0.8112116738941224
Energy: 0.8744640091062355
Energy: 0.8112116738941224
Energy: 0.8744640090706955
Energy: 0.8112116738935997
Energy: 0.8744640087974715
Energy: 0.7787196967615759
Energy: 0.8156270166861658
Energy: 0.7787196967594853
Energy: 0.815627016687211
Energy: 0.7787196967605307
Energy: 0.8156270166861658
Energy: 0.8228806041566669
Energy: 0.8753590912658519
Energy: 0.8228806041571897
Energy: 0.8753590912653293
Energy: 0.8228806041571897
Energy: 0.8753590912658519
Energy: 0.8606355605105485
Energy: 0.8726566666483542
Energy: 0.8606355605105485
Energy: 0.8726566666483542
Energy: 0.8606355605105485
Energy: 0.8726566666457408
Energy: 0.8663974498667592
Energy: 0.8839868669731648
Energy: 0.8663974498678043
Energy: 0.8839868669731648
Energy: 0.8663974498698949
Energy: 0.8839868669726422
Energy: 0.7753554646445229
Energy: 0.8180518256352001
Energy: 0.7753554646434777
Energy: 0.963859506640443
Energy: 0.7753554646434777
Energy: 0.9638595066409655
Energy: 0.7785184185022597
Energy: 0.8152768285804834
Energy: 0.7785184185012144
Energy: 0.8152768285799608
Energy: 0.778518418501737
Energy: 0.8152768285799608
Energy: 0.7668134788783755
Energy: 0.8798840541755187
Energy: 0.7668134788799434
Energy: 0.8798840541739507
Energy: 0.7668134788794208
Energy: 0.879884054174996
Energy: 0.8662678871694335
Energy: 0.8320073199301131
Energy: 0.8662678871689109
Energy: 0.8320073199332491
Energy: 0.8662678871673427
Energy: 0.8320073199327264
Energy: 0.7600945012629227
Energy: 0.8986193324042879
Energy: 0.7600945012624001
Energy: 1.0404889256617498
Energy: 0.7600945012624001
Energy: 0.8808007309801994
Energy: 0.7861201096722539
Energy: 0.8153279325363123
Energy: 0.7861201096722539
Energy: 0.8153279325373577
Energy: 0.7861201096717313
Energy: 0.8153279325363123
Energy: 0.8019387908919792
Energy: 0.9433831275353716
Energy: 0.8019387908925018
Energy: 0.943383127534849
Energy: 0.8019387908919792
Energy: 0.9433831275385075
Energy: 0.8760967906452306
Energy: 0.8182376449043592
Energy: 0.8760967906452306
Energy: 0.8182376449043592
Energy: 0.8760967906457532
Energy: 0.8182376449043592
Energy: 0.8622214433750112
Energy: 0.8187121728008615
Energy: 0.8622214433750112
Energy: 0.9659918879114036
Energy: 0.8622214433750112
Energy: 0.8144462401687997
Energy: 0.7879169009923394
Energy: 0.8190729301546469
Energy: 0.787916900992862
Energy: 0.819072930153079
Energy: 0.7879169009933845
Energy: 0.819072930153079
Energy: 0.8205248391441998
Energy: 0.9329766856253854
Energy: 0.820524839142632
Energy: 0.9329766856201589
Energy: 0.8205248391431545
Energy: 0.9329766856060475
Energy: 0.8654381704890655
Energy: 0.8221108982926953
Energy: 0.8654381704890655
Energy: 0.8221108982926953
Energy: 0.8654381704911559
Energy: 0.8221108982926953
Energy: 0.7586380659530362
Energy: 0.8920470017274241
Energy: 0.7586380659525136
Energy: 0.8920470017310826
Energy: 0.7586380659546043
Energy: 1.0275783246835344
Energy: 0.7583056632387076
Energy: 0.8321794662101781
Energy: 0.7583056632387076
Energy: 0.8321794662107009
Energy: 0.7583056632392303
Energy: 0.8321794661924083
Energy: 0.8080548150649783
Energy: 0.8696581639404278
Energy: 0.8080548150655011
Energy: 0.8696581639414732
Energy: 0.8080548150655011
Energy: 0.8696581639414732
Energy: 0.7784524350141951
Energy: 0.8222380458858327
Energy: 0.7784524350141951
Energy: 0.8222380458858327
Energy: 0.7784524350147177
Energy: 0.8222380458858327
Energy: 0.8220626201513052
Energy: 0.8782039030209982
Energy: 0.8220626201513052
Energy: 0.8782039030204755
Energy: 0.8220626201513052
Energy: 0.8782039030209982
Energy: 0.8610617560911045
Energy: 0.8207249218150188
Energy: 0.8610617560900592
Energy: 0.8207249218259705
Energy: 0.8610617560900592
Energy: 0.8207249218259705
Energy: 0.9355437570011544
Energy: 0.8250897980163163
Energy: 0.9355437570021996
Energy: 0.8250897980131805
Energy: 0.9355437570011544
Energy: 0.8250897980137031
Energy: 0.775725045003242
Energy: 0.8122150405110844
Energy: 0.77572504500481
Energy: 0.8122150405152657
Energy: 0.7757250450037646
Energy: 0.8122150405116071
Energy: 0.8239848943906383
Energy: 0.8635261148930589
Energy: 0.8239848943906383
Energy: 0.8635261148930589
Energy: 0.8239848943906383
Energy: 0.8635261148930589
Energy: 0.7583435014600654
Energy: 1.101020294963009
Energy: 0.7583435014600654
Energy: 1.1010202949624865
Energy: 0.7583435014605879
Energy: 1.1010202949624865

minimum gb energy = 0.7583056632387076 eV
minimum distance =  2.31850108019599 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.9580441853253129
Energy: 0.8610830109358728
Energy: 0.9580441853253129
Energy: 0.8610830109351394
Energy: 0.9580441853249461
Energy: 0.8610830109344056
Energy: 0.9720491539967868
Energy: 0.7719156172232018
Energy: 0.9720491539956863
Energy: 0.771915617224669
Energy: 0.9720491539967868
Energy: 0.7719156172243021
Energy: 0.8870087122003706
Energy: 0.9751486020516381
Energy: 0.8870087121989034
Energy: 0.9751486020498041
Energy: 0.8870087122003706
Energy: 0.9751486020505375
Energy: 0.8602015845482239
Energy: 0.8404077805362185
Energy: 0.8602015845496911
Energy: 0.8404077805365854
Energy: 0.8602015845482239
Energy: 0.8404077805358516
Energy: 0.8717563235423511
Energy: 0.8134888721985588
Energy: 0.8717563235416176
Energy: 0.81348887220186
Energy: 0.8717563235423511
Energy: 0.8134888722003928
Energy: 0.8829562544407993
Energy: 0.8602139142133047
Energy: 0.8829562544367644
Energy: 0.8602139142122042
Energy: 0.882956254488116
Energy: 0.8602139142122042
Energy: 0.8391077462521059
Energy: 0.928607663355758
Energy: 0.8391077462524726
Energy: 0.928607663355391
Energy: 0.8391077462517392
Energy: 0.928607663355758
Energy: 0.8913476859644284
Energy: 0.8825733752961067
Energy: 0.8913476859475556
Energy: 0.8825733752961067
Energy: 0.8913476859442545
Energy: 0.8825733752964736
Energy: 0.8171110213735648
Energy: 0.891894118569871
Energy: 0.8171110213731981
Energy: 0.891894118569871
Energy: 0.8171110213735648
Energy: 0.8918941185695042
Energy: 0.9645644316115748
Energy: 0.8252902373643353
Energy: 0.964564431632849
Energy: 0.8252902373606672
Energy: 0.9645644316288141
Energy: 0.8252902373621344
Energy: 0.8975124817821432
Energy: 0.892142839086287
Energy: 0.8975124817825099
Energy: 0.8921428390859202
Energy: 0.897512481783977
Energy: 0.8921428390866538
Energy: 0.8594775560682122
Energy: 0.8412166212208616
Energy: 0.859477556072247
Energy: 0.8412166212204948
Energy: 0.8594775560788493
Energy: 0.8412166212208616
Energy: 0.8919320371833497
Energy: 0.8124889793960443
Energy: 0.8919320371844499
Energy: 0.8124889794062813
Energy: 0.8919320371837164
Energy: 0.8124889793883415
Energy: 0.8824355440554643
Energy: 0.8903331538124234
Energy: 0.8824355440536302
Energy: 0.8903331538138906
Energy: 0.8824355440543639
Energy: 0.8903331538113228
Energy: 0.9009678391875391
Energy: 0.833659187435356
Energy: 0.9009678391871723
Energy: 0.8336591874364566
Energy: 0.9009678391871723
Energy: 0.833659187435723
Energy: 0.8378779923053893
Energy: 0.9554584715497306
Energy: 0.8378779923083236
Energy: 0.955458471556333
Energy: 0.8378779923094238
Energy: 0.955458471560001
Energy: 0.8165214016936042
Energy: 0.8164570222327809
Energy: 0.8165214016925039
Energy: 0.816457022240117
Energy: 0.8165214016958051
Energy: 0.8164570222360822
Energy: 0.8325982194253547
Energy: 0.8608381281828829
Energy: 0.8325982194238876
Energy: 0.860838128182516
Energy: 0.8325982194260884
Energy: 0.8608381281832495
Energy: 0.981076469087959
Energy: 0.8542041749052925
Energy: 0.9810764690883258
Energy: 0.8542041749060262
Energy: 0.981076469087592
Energy: 0.8542041749052925
Energy: 0.8131612357887299
Energy: 0.8518420955024514
Energy: 0.8131612357894634
Energy: 0.8518420954991504
Energy: 0.8131612357865291
Energy: 0.8518420954995171
Energy: 0.8171742671700846
Energy: 0.9037959294136044
Energy: 0.8171742671667834
Energy: 0.9037959294114039
Energy: 0.8171742671675168
Energy: 0.9037959294161722
Energy: 0.7968114864522557
Energy: 0.9429489970577145
Energy: 0.7968114864511553
Energy: 0.9429489970558805
Energy: 0.7968114864515221
Energy: 0.942948997055147
Energy: 0.9001159638554875
Energy: 0.7811153134544425
Energy: 0.900115963854754
Energy: 0.7811153134493073
Energy: 0.9001159638558545
Energy: 0.7811153134533422
Energy: 0.8157113178384173
Energy: 0.8579078829591059
Energy: 0.8157113178376837
Energy: 0.8579078829466349
Energy: 0.8157113178380505
Energy: 0.8579078829561715
Energy: 0.8128572713658343
Energy: 0.8158431564862291
Energy: 0.8128572713665678
Energy: 0.8158431564891636
Energy: 0.8128572713665678
Energy: 0.8158431564902638
Energy: 0.8522640051659021
Energy: 0.8822092852617193
Energy: 0.8522640051648017
Energy: 0.8822092852580513
Energy: 0.8522640051666357
Energy: 0.8822092852617193
Energy: 0.9437277212641086
Energy: 0.8458382757424068
Energy: 0.9437277212637419
Energy: 0.8458382757416731
Energy: 0.9437277212626415
Energy: 0.84583827574204
Energy: 0.9034577855266162
Energy: 0.8182511101120266
Energy: 0.9034577855266162
Energy: 0.8182511101120266
Energy: 0.9034577855251488
Energy: 0.8182511101127601
Energy: 0.8521088412569071
Energy: 0.8178911965971858
Energy: 0.8521088412558068
Energy: 0.817891196594985
Energy: 0.8521088412561734
Energy: 0.817891196594985
Energy: 0.8180180407746215
Energy: 0.9642143614749799
Energy: 0.8180180407764555
Energy: 0.9642143614669104
Energy: 0.8180180407757218
Energy: 0.9642143614768139
Energy: 0.8575108582582801
Energy: 0.8259505889186818
Energy: 0.8575108582586469
Energy: 0.8259505889186818
Energy: 0.8575108582586469
Energy: 0.8259505889186818
Energy: 0.815778606151581
Energy: 0.9035223321492464
Energy: 0.8157786061497472
Energy: 0.9035223321496133
Energy: 0.8157786061523147
Energy: 0.9035223321481461
Energy: 0.8121082308251129
Energy: 0.8382835221387331
Energy: 0.8121082308243792
Energy: 0.8382835221413008
Energy: 0.8121082308243792
Energy: 0.8382835221394669
Energy: 0.8900661541022832
Energy: 0.8821145211731237
Energy: 0.8900661540997157
Energy: 0.8821145211749578
Energy: 0.890066154100816
Energy: 0.8821145211734904
Energy: 0.8898281739065166
Energy: 0.8820502893143973
Energy: 0.8898281739039492
Energy: 0.8820502893140305
Energy: 0.8898281739046828
Energy: 0.882050289314764
Energy: 0.8120804927630056
Energy: 0.8383241953407571
Energy: 0.8120804927630056
Energy: 0.8383241953414906
Energy: 0.8120804927663069
Energy: 0.8383241953389232
Energy: 0.8157993911108213
Energy: 0.9037237393029626
Energy: 0.8157993911111882
Energy: 0.9037237393058969
Energy: 0.8157993911111882
Energy: 0.9037237393029626
Energy: 0.8574945694494518
Energy: 0.8260436709589039
Energy: 0.8574945694494518
Energy: 0.8260436709592708
Energy: 0.8574945694527529
Energy: 0.826043670958537
Energy: 0.8180753095705121
Energy: 0.9637386762188499
Energy: 0.8180753095705121
Energy: 0.9637386762177494
Energy: 0.8180753095719793
Energy: 0.9637386762195502
Energy: 0.8521334087658065
Energy: 0.8201695381289041
Energy: 0.8521334087665401
Energy: 0.82016953812707
Energy: 0.8521334087661733
Energy: 0.8201695381289041
Energy: 0.9035221823479355
Energy: 0.8180021718275722
Energy: 0.9035221823486691
Energy: 0.8180021718268385
Energy: 0.9035221823490359
Energy: 0.8180021718272052
Energy: 0.9436932893178545
Energy: 0.8457644192370817
Energy: 0.9436932893193216
Energy: 0.8457644192370817
Energy: 0.9436932893182213
Energy: 0.8457644192370817
Energy: 0.852366174271555
Energy: 0.8822862390597453
Energy: 0.8523661742700877
Energy: 0.882286239069649
Energy: 0.852366174269721
Energy: 0.8822862390579115
Energy: 0.813333673710122
Energy: 0.816179285759921
Energy: 0.8133336737097551
Energy: 0.8161792857610215
Energy: 0.813333673710122
Energy: 0.816179285759921
Energy: 0.815405183451711
Energy: 0.8589914748004917
Energy: 0.8154051834513442
Energy: 0.8589914748004917
Energy: 0.8154051834495104
Energy: 0.8589914748004917
Energy: 0.9002056164424957
Energy: 0.7810483188737504
Energy: 0.9002056164406618
Energy: 0.7810483188741171
Energy: 0.9002056164410286
Energy: 0.7810483188733836
Energy: 0.7968713169571218
Energy: 0.9429899527149398
Energy: 0.7968713169589557
Energy: 0.9429899527116388
Energy: 0.7968713169582221
Energy: 0.9429899527138396

minimum gb energy = 0.7719156172232018 eV
minimum distance =  2.38717705470324 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.049286927467288
Energy: 0.9386750836034129
Energy: 1.0492869274685137
Energy: 0.9386750836034129
Energy: 1.049286927468263
Energy: 0.9386750836036637
Energy: 0.9596313505071498
Energy: 0.8021206129456887
Energy: 0.9596313505071498
Energy: 0.8021206129476387
Energy: 0.9596313505063977
Energy: 0.8021206129454379
Energy: 0.8016363975729313
Energy: 1.1032596433290969
Energy: 0.8016363974026411
Energy: 1.1032596433288462
Energy: 0.8016363975065479
Energy: 1.1032596433288462
Energy: 0.9594975013488816
Energy: 0.8024000904942077
Energy: 0.9594975013481292
Energy: 0.8024000904942077
Energy: 0.9594975013388249
Energy: 0.8024000904937342
Energy: 1.0492869274694885
Energy: 0.9386750836024379
Energy: 1.0492869274675107
Energy: 0.9386750836026887
Energy: 1.049286927467288
Energy: 0.9386750836024379
Energy: 0.9596313505078741
Energy: 0.8021206129476387
Energy: 0.9596313505068991
Energy: 0.8021206129461902
Energy: 0.9596313505071498
Energy: 0.8021206129466637
Energy: 0.8016363978650121
Energy: 1.1032596433271191
Energy: 0.8016363979088869
Energy: 1.1032596433266455
Energy: 0.8016363978951534
Energy: 1.1032596433276205

minimum gb energy = 0.8016363974026411 eV
minimum distance =  2.39119638382936 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.1925823055843354
Energy: 1.0930630562210508
Energy: 1.1925823055843354
Energy: 1.0930630562207477
Energy: 1.1925823055870044
Energy: 1.093063056221718
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Energy: 0.9523369858443603
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Energy: 0.9528662295100606
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Energy: 0.9734142095431315
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Energy: 0.9734142095417971
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Energy: 1.0492382981374198
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Energy: 1.0369614376854726
Energy: 1.027345195682779
Energy: 0.9368269363348389
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Energy: 1.1523993041060625
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Energy: 0.9982111659632569
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Energy: 0.9136917444987699
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Energy: 0.9129559006334081
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Energy: 1.0003426110038356
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Energy: 1.0003426110065043
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Energy: 1.0567807179476536
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Energy: 0.9746835985822317
Energy: 1.0567807179476536
Energy: 1.0200031373446115
Energy: 0.947988012411622
Energy: 1.0200031373352707
Energy: 0.9479301653148543
Energy: 1.020003137328235
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Energy: 0.9665331436601314
Energy: 0.9909040317263739
Energy: 0.9665331436628002
Energy: 0.9916261857133944
Energy: 0.966533143655825
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Energy: 0.935033884691733
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Energy: 0.9350338847014377
Energy: 1.0230137807416397
Energy: 0.9350338846954329
Energy: 1.0480177503059072
Energy: 1.00702221169786
Energy: 1.0480177502999024
Energy: 1.0070222116965257
Energy: 1.0480177503012367
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Energy: 1.0610148579726029
Energy: 1.0246153375719094
Energy: 1.0610148579722387
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Energy: 0.9960491392887433
Energy: 0.9353983082210496
Energy: 0.9999179445376616
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Energy: 0.9704340746544527
Energy: 1.0086596518421034
Energy: 0.9704683739609677
Energy: 1.0098176066797755
Energy: 0.9703019817732581
Energy: 1.0482740536909916
Energy: 0.941225538505466
Energy: 1.0482740536759494
Energy: 0.9504492997655404
Energy: 1.048274053679649
Energy: 0.950798644137271
Energy: 0.9553856175183902
Energy: 1.0585997023726892
Energy: 0.9553856175157215
Energy: 1.0585997023733564
Energy: 0.9553856175177232
Energy: 1.0585997023730531
Energy: 0.9794316382836917
Energy: 0.9992347831499387
Energy: 0.9863097820824485
Energy: 0.9992347831495747
Energy: 0.9867160336963342
Energy: 0.9992347831499387
Energy: 1.0169425187242818
Energy: 1.0101503698009602
Energy: 1.016942518723918
Energy: 0.9439532641730844
Energy: 1.0169425187225836
Energy: 0.9443988296856857
Energy: 1.0479266488901824
Energy: 0.9128100890120167
Energy: 1.0479266488908496
Energy: 0.9133481154131099
Energy: 1.0479266488901824
Energy: 0.9119588321338872
Energy: 0.9004866015564142
Energy: 1.1240883970864584
Energy: 0.9004866015570815
Energy: 1.1240883970884603
Energy: 0.9004866015553831
Energy: 1.1240883970884603
Energy: 1.006577575480049
Energy: 0.9981065860310961
Energy: 1.0059369599032548
Energy: 0.9981065860310961
Energy: 1.0056384817797535
Energy: 0.9981065860297617
Energy: 0.9797485684419432
Energy: 0.9305138111623378
Energy: 0.9797485684486151
Energy: 0.930605481155942
Energy: 0.9797485684459464
Energy: 0.9336403416868554
Energy: 1.2054097720755548
Energy: 0.9157358746743273
Energy: 1.2054097720748875
Energy: 0.9157358746726897
Energy: 1.205409772075858
Energy: 0.9157358746749944
Energy: 0.9656621137514799
Energy: 0.9959437145840395
Energy: 0.9656610132211986
Energy: 0.9959437146059962
Energy: 0.9656605325360962
Energy: 0.9959437145713629
Energy: 1.008464747566596
Energy: 0.9338176033626002
Energy: 1.0099150061700233
Energy: 0.9338176033556249
Energy: 1.0041475982148644
Energy: 0.9338176033612658
Energy: 1.0523139172482394
Energy: 1.0307007023538006
Energy: 1.0523139172479363
Energy: 1.0307007023521628
Energy: 1.0523139172479363
Energy: 1.0307007023471286
Energy: 1.1283390208271666
Energy: 0.9641110359589601
Energy: 1.1283390208264994
Energy: 0.9641110359679369
Energy: 1.1283390208258324
Energy: 0.9641110359579289
Energy: 1.0284282197821115
Energy: 0.9962331260878597
Energy: 1.0281546919392883
Energy: 0.9962331260885269
Energy: 1.0281320556892533
Energy: 0.996233126089194
Energy: 1.0173284217117604
Energy: 0.9328355462887773
Energy: 1.0171951703000521
Energy: 0.9328165064566649
Energy: 1.0164326718186851
Energy: 0.9326211799387563
Energy: 0.9758959684170408
Energy: 0.9371688804458566
Energy: 0.9758959684180114
Energy: 0.9370728976506629
Energy: 0.975895968416677
Energy: 0.9293486816349747
Energy: 1.0597917937123813
Energy: 0.9949444986462589
Energy: 1.0597917937123813
Energy: 0.9949444986459557
Energy: 1.0597917937107437
Energy: 0.9949444986482606
Energy: 0.9599264962822336
Energy: 0.9962208902296923
Energy: 0.9601836060003501
Energy: 0.9962208902296923
Energy: 0.9601197412732475
Energy: 0.9962208902276906

minimum gb energy = 0.9004866015553831 eV
minimum distance =  2.36807949678035 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.0910638305171503
Energy: 1.0617618317739137
Energy: 1.091063830518066
Energy: 1.061761831776203
Energy: 1.0910638305185238
Energy: 1.0617618317757451
Energy: 1.0457542810531502
Energy: 1.0593489047908808
Energy: 1.0457542810531502
Energy: 1.0593489047899651
Energy: 1.045754281054066
Energy: 1.0593489047908808
Energy: 1.0840622171044403
Energy: 0.9428056922052825
Energy: 1.083838276214369
Energy: 0.9428056922057404
Energy: 1.0838288753689118
Energy: 0.9428056922043668
Energy: 1.096231263667935
Energy: 0.9429916009581278
Energy: 1.096231263665646
Energy: 0.9430381835060125
Energy: 1.096231263667935
Energy: 0.9286497969284646
Energy: 1.0917927654673454
Energy: 1.0310868069601558
Energy: 1.0917927654659718
Energy: 1.0310868069610717
Energy: 1.09179276546643
Energy: 1.0310868069610717
Energy: 0.991974700177689
Energy: 0.9493667035904573
Energy: 0.9919747001781467
Energy: 0.9493667035909152
Energy: 0.9919747001781467
Energy: 0.9493667035904573
Energy: 0.9534974643085562
Energy: 0.9476481252324617
Energy: 0.9534974643080982
Energy: 0.9476481252329195
Energy: 0.9534974643076406
Energy: 0.9476481252329195
Energy: 1.062605027984051
Energy: 1.0431161761569623
Energy: 1.0626050279799304
Energy: 1.0431161761555883
Energy: 1.0626050279826778
Energy: 1.043116176221478
Energy: 1.254658409436769
Energy: 0.9407232444259395
Energy: 1.2546584092486734
Energy: 0.9412699918103654
Energy: 1.2546584090596622
Energy: 0.9002734126897716
Energy: 0.8679069651073873
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Energy: 0.8672865660722697
Energy: 1.167502718096437
Energy: 0.8646912153921201
Energy: 1.1675027180968947
Energy: 1.1098412907795676
Energy: 1.0088349927364024
Energy: 1.10984129077911
Energy: 1.0088349927359446
Energy: 1.109841290778652
Energy: 1.0088349927354867
Energy: 0.9518143948518716
Energy: 0.9465569404505242
Energy: 0.9518143948504981
Energy: 0.9464409308052006
Energy: 0.9518143948518716
Energy: 0.9463751400995953
Energy: 1.033494992672681
Energy: 1.0967290925448128
Energy: 1.033494992672681
Energy: 1.0967290925420656
Energy: 1.0334949926749701
Energy: 1.0967290925402342
Energy: 0.9436071167561957
Energy: 0.9478653746748209
Energy: 0.9475815148993905
Energy: 0.9478653746780258
Energy: 0.9477112828196119
Energy: 0.9478653746780258
Energy: 1.1564988815427582
Energy: 0.972941094948145
Energy: 1.156498881541884
Energy: 0.972941094948145
Energy: 1.1564988815423418
Energy: 0.972941094948145
Energy: 1.0638680173235755
Energy: 1.0380718500106396
Energy: 1.0638680173240334
Energy: 1.0380718500092663
Energy: 1.063868017322202
Energy: 1.038071850013387
Energy: 1.1282820766328556
Energy: 0.9488324292524055
Energy: 1.1282820766406392
Energy: 0.9488324292524055
Energy: 1.1282820766333135
Energy: 0.9488324292519476
Energy: 0.8808193982092021
Energy: 1.1671670830565866
Energy: 0.88081939820966
Energy: 1.1671670830561287
Energy: 0.88081939820966
Energy: 1.1671670830561287
Energy: 1.155940223812387
Energy: 1.047129888090635
Energy: 1.155940223812845
Energy: 1.0471283627509556
Energy: 1.155940223812387
Energy: 1.046937776765574
Energy: 1.0813540795934922
Energy: 0.9408795085956262
Energy: 0.9283571134899041
Energy: 0.9410841542568157
Energy: 0.8993429596127276
Energy: 0.9408964001767628
Energy: 1.0292444723493952
Energy: 1.0961407413388098
Energy: 1.0292444723484795
Energy: 1.096140741338352
Energy: 1.0292444723512264
Energy: 1.0961407413351885
Energy: 0.9981837358052326
Energy: 1.008442599135507
Energy: 0.998183735804317
Energy: 1.008442599135507
Energy: 0.9981837358061483
Energy: 1.008442599135507
Energy: 0.9980695928264894
Energy: 0.9512706667169134
Energy: 0.9980695928264894
Energy: 0.9512706667164554
Energy: 0.9980695928260315
Energy: 0.9512706667164554
Energy: 1.0372644705883354
Energy: 1.092359645490201
Energy: 1.0372644705883354
Energy: 1.0923596454874953
Energy: 1.0372644705883354
Energy: 1.092359645485206
Energy: 0.9500384564361918
Energy: 0.9454183205331482
Energy: 0.950769217949828
Energy: 0.9450227868051688
Energy: 0.9504200432727526
Energy: 0.9458936532485508
Energy: 1.1564295563013964
Energy: 1.1802506176002332
Energy: 1.1564295563009386
Energy: 1.180250621304454
Energy: 1.1564295563018545
Energy: 1.1802496806553553
Energy: 0.8806064948076181
Energy: 1.094568075597309
Energy: 0.8806064948071604
Energy: 1.094568075597767
Energy: 0.8806064948076181
Energy: 1.0945680755991407
Energy: 0.950223241402496
Energy: 0.9486737182553755
Energy: 0.9502889622332581
Energy: 0.9486737182567491
Energy: 0.9506126354982929
Energy: 0.9486737182576649
Energy: 1.0868756724347703
Energy: 1.0853835365810995
Energy: 1.0868756724356863
Energy: 1.0853835365815574
Energy: 1.0868756724352282
Energy: 1.0853835365838465
Energy: 0.9468960559232152
Energy: 0.9498933309316944
Energy: 0.9468960559241312
Energy: 0.9498933309316944
Energy: 0.9468960559232152
Energy: 0.9498933309316944
Energy: 0.942551307894366
Energy: 1.1539301892355545
Energy: 0.9424241536798849
Energy: 1.1539301892355545
Energy: 0.9276745576989359
Energy: 1.1539301892355545
Energy: 1.0286043249694432
Energy: 1.0915736179419169
Energy: 1.0286043249699006
Energy: 1.09157361793917
Energy: 1.0286043249680694
Energy: 1.0915736179396278
Energy: 0.9512455599617443
Energy: 0.9729948973153433
Energy: 0.9512455599612863
Energy: 0.9729935769692728
Energy: 0.9512455599612863
Energy: 0.9729895978523723
Energy: 0.9461096992929289
Energy: 0.9533348507215322
Energy: 0.9461096992952183
Energy: 0.95333485072378
Energy: 0.9461096992938446
Energy: 0.9533348507228644
Energy: 0.8726137278132797
Energy: 1.359811928422235
Energy: 0.817890451225297
Energy: 1.359811928421777
Energy: 0.8177158937879742
Energy: 1.359811928422235
Energy: 1.0084047332462107
Energy: 0.8996997672785586
Energy: 1.008875442708746
Energy: 0.899914965081684
Energy: 1.0088763306792776
Energy: 0.8997111747302096
Energy: 1.0872046250466696
Energy: 1.0380527964634843
Energy: 1.0872046250471274
Energy: 1.0380527964634843
Energy: 1.087204625048959
Energy: 1.038052796463942
Energy: 1.0081281059260008
Energy: 0.9486530737132549
Energy: 1.008128105925543
Energy: 0.9486530737127972
Energy: 1.008128105925543
Energy: 0.9486530737127972

minimum gb energy = 0.8177158937879742 eV
minimum distance =  2.40391915426539 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.1697807008198453
Energy: 1.0853283344135478
Energy: 1.169780700816471
Energy: 1.0853283344146727
Energy: 1.1697807008204077
Energy: 1.0853283344129854
Energy: 1.1495223274655544
Energy: 0.9709127679048356
Energy: 1.1495223274672415
Energy: 0.9709127679048356
Energy: 1.1495223274661166
Energy: 0.9709127679115843
Energy: 1.1532360489153224
Energy: 1.1880696865688036
Energy: 1.1532360489153224
Energy: 1.1880696865654294
Energy: 1.1532360489147597
Energy: 1.1880696865682412
Energy: 0.9954353021463284
Energy: 0.999991886297666
Energy: 0.995435302147453
Energy: 0.9999918862392024
Energy: 0.995435302145766
Energy: 0.9999918862245802
Energy: 1.077227380451433
Energy: 1.0011294493919614
Energy: 1.0772273804525578
Energy: 1.0004377070413415
Energy: 1.0772273804508705
Energy: 0.963265954332885
Energy: 0.9855343495113867
Energy: 1.0586749733772143
Energy: 0.9856104181223608
Energy: 1.058674973376652
Energy: 1.040259598178139
Energy: 1.058674973376652
Energy: 1.1089416367760119
Energy: 1.2548492079888256
Energy: 1.1089416367760119
Energy: 1.254849207989388
Energy: 1.1089416367760119
Energy: 1.254849207989388
Energy: 1.0449954800527093
Energy: 0.9160529974124332
Energy: 1.0449954800532717
Energy: 0.9163173804383621
Energy: 1.0449954800521468
Energy: 0.9162416753632249
Energy: 1.1035662570131668
Energy: 0.9400484570563904
Energy: 1.057674910261841
Energy: 0.9400484570563904
Energy: 1.0576714455354932
Energy: 0.9400484570569528
Energy: 0.9586346302819575
Energy: 1.061562470048833
Energy: 0.9586346137588504
Energy: 1.061562470048833
Energy: 0.9586340013201546
Energy: 1.061562470048833
Energy: 1.179474406073352
Energy: 1.0080131195345254
Energy: 1.179474406073352
Energy: 1.008013119536775
Energy: 1.179474406073352
Energy: 1.008013119536775
Energy: 1.0447012131450435
Energy: 1.047495332309283
Energy: 1.0447012131445068
Energy: 1.0472489111956094
Energy: 1.0447012131439442
Energy: 1.014027042170818
Energy: 1.074125795563956
Energy: 1.059983002250208
Energy: 1.074668988181715
Energy: 1.059983002246271
Energy: 1.0770296038627347
Energy: 1.0599830022513328
Energy: 0.9239589907652239
Energy: 1.2385916797847032
Energy: 0.9239589907652239
Energy: 1.2385916797819168
Energy: 0.9239589907652239
Energy: 1.2385916797824537
Energy: 0.9942887161608128
Energy: 1.0491820769095075
Energy: 0.9942887161630624
Energy: 1.0491818102074955
Energy: 0.9942887161636247
Energy: 1.0490769912982123
Energy: 1.051112875979525
Energy: 0.9402406441923777
Energy: 1.0511013873546071
Energy: 0.9392264888075956
Energy: 1.0510872628838277
Energy: 0.9408511137746552
Energy: 0.9971430807808142
Energy: 0.9956741566562052
Energy: 0.9741223109222553
Energy: 0.99567415665733
Energy: 0.9735979841215542
Energy: 0.9956741566550804
Energy: 1.2598316772254348
Energy: 1.0902687492019192
Energy: 1.2598316772254348
Energy: 1.0902687492019192
Energy: 1.2598316772254348
Energy: 1.0902687492019192
Energy: 1.1885168668665929
Energy: 1.0500399931572886
Energy: 1.1885168668665929
Energy: 1.0500399931567261
Energy: 1.1885168668665929
Energy: 1.050039993156164
Energy: 1.0197456158157292
Energy: 1.0380859812275989
Energy: 1.021406886723618
Energy: 1.0380859812281613
Energy: 1.0215603578536232
Energy: 1.0380859812298484
Energy: 0.9958933910897722
Energy: 1.0085517000980366
Energy: 0.9954614261793854
Energy: 1.0085517000980366
Energy: 0.9953519264144769
Energy: 1.0085517000985988
Energy: 1.105816309509371
Energy: 0.8877563777331768
Energy: 1.1058163095076838
Energy: 0.8877953198914464
Energy: 1.1058163095088085
Energy: 0.8879263928307517
Energy: 0.9223473814597337
Energy: 1.1656791720016821
Energy: 0.9223473814597337
Energy: 1.1656791720022446
Energy: 0.9223473814591713
Energy: 1.1656791720022446
Energy: 1.0740147472160118
Energy: 1.058779237738533
Energy: 1.0754802975011912
Energy: 1.058779237738533
Energy: 1.0746458638395202
Energy: 1.0587792377396579
Energy: 1.0404398356529319
Energy: 1.044145185491603
Energy: 1.0404398356540563
Energy: 1.0441451854921655
Energy: 1.0404398356540563
Energy: 1.0441451854921655
Energy: 1.1055974266705868
Energy: 1.0893380396117134
Energy: 1.10559742666665
Energy: 1.0893380396105885
Energy: 1.1055974266700244
Energy: 1.0893380396117134
Energy: 1.0212405876886257
Energy: 0.9731304601306184
Energy: 1.0212346301573922
Energy: 0.9731304601255568
Energy: 0.8725950391696241
Energy: 0.9731304601311809
Energy: 1.022616754838013
Energy: 0.9392423328746835
Energy: 1.0181320323114909
Energy: 0.9392423328791826
Energy: 1.0228059912177727
Energy: 0.9392423328752458
Energy: 1.0401352347763688
Energy: 0.9433793987929202
Energy: 1.0401352347758066
Energy: 0.9435210441306737
Energy: 1.0401352347769313
Energy: 0.9438154506249133
Energy: 1.1378332526426642
Energy: 1.1573468437965662
Energy: 1.1378332526426642
Energy: 1.1573468437960037
Energy: 1.1378332526426642
Energy: 1.1573468437960037
Energy: 1.038756643197409
Energy: 1.059136203672433
Energy: 0.9841775802773566
Energy: 1.0591362036729954
Energy: 0.9841259900116076
Energy: 1.0591362036729954

minimum gb energy = 0.8725950391696241 eV
minimum distance =  2.39117637278029 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.152842918168246
Energy: 1.046397673009825
Energy: 1.1528429181704305
Energy: 1.046397673009825
Energy: 1.1528429181675177
Energy: 1.0463976730105533
Energy: 1.0578603632121397
Energy: 0.9059501082625994
Energy: 1.0578603632077705
Energy: 0.9059501082618712
Energy: 1.0578603632034018
Energy: 0.9059501082625994
Energy: 0.8845077711709067
Energy: 1.2334741959486157
Energy: 0.8841786387719175
Energy: 1.2334741959478877
Energy: 0.8209095906820426
Energy: 1.2334741959486157
Energy: 1.0874451542684596
Energy: 0.8975205370650623
Energy: 1.087445154269916
Energy: 0.897552855726638
Energy: 1.0874451542713723
Energy: 0.8974383652807804
Energy: 1.0045868969260032
Energy: 0.9076696748456755
Energy: 1.0045868969230907
Energy: 0.9072415598331611
Energy: 1.004586896924547
Energy: 0.8981304861302479
Energy: 1.0147862154774527
Energy: 0.9594076963348247
Energy: 1.0147774022004774
Energy: 0.9594076963384657
Energy: 1.014766891798931
Energy: 0.959407696336281
Energy: 1.0892769679367644
Energy: 1.1078093297994582
Energy: 1.089276967935308
Energy: 1.1078093298067402
Energy: 1.0892769679367644
Energy: 1.107809329802371
Energy: 1.083744793788017
Energy: 1.0479152974479669
Energy: 1.0837447937916578
Energy: 1.0479152974472385
Energy: 1.0837447937902014
Energy: 1.0479152974479669
Energy: 1.0147400753920246
Energy: 0.9098204839463677
Energy: 1.0147400753927527
Energy: 0.9098204839463677
Energy: 1.0147400753927527
Energy: 0.9098204839470959
Energy: 0.8245128276549538
Energy: 1.231444632774279
Energy: 0.8245128276542258
Energy: 1.231444632774279
Energy: 0.824512827651313
Energy: 1.231444632774279
Energy: 1.0889780748045998
Energy: 0.8973349290281604
Energy: 1.0889780748053282
Energy: 0.8976758255395252
Energy: 1.0889780748045998
Energy: 0.8974196954385848
Energy: 1.194162728684329
Energy: 0.9817546904952783
Energy: 1.194162728684329
Energy: 0.9811990790428149
Energy: 1.194162728685057
Energy: 0.9304862912611116
Energy: 0.8151078629591384
Energy: 0.9137990096052977
Energy: 0.8050411856124786
Energy: 0.9137990096052977
Energy: 0.780128936594165
Energy: 0.9137990096045694
Energy: 1.0959798891778632
Energy: 0.9086843169474903
Energy: 1.0959798891982522
Energy: 0.9086843169453059
Energy: 1.0959798891545613
Energy: 0.9086843169445777
Energy: 0.9582470081352371
Energy: 0.9109303385372928
Energy: 0.9582470081228581
Energy: 0.9109303385314674
Energy: 0.9582470081337808
Energy: 0.9109303385321957
Energy: 1.1934063725955935
Energy: 1.0865211187241985
Energy: 1.1934063725963215
Energy: 1.0865211187241985
Energy: 1.1934063725970496
Energy: 1.0865211187241985
Energy: 0.8288450857083532
Energy: 1.0588517991903914
Energy: 0.8288450857061687
Energy: 1.058851799196217
Energy: 0.828845085707625
Energy: 1.0588517991940325
Energy: 1.087823120472924
Energy: 0.7802181013265863
Energy: 1.0878231204751083
Energy: 0.7798869593663054
Energy: 1.0878231204751083
Energy: 0.7798403986452583
Energy: 0.8285246018826167
Energy: 1.0587230630203
Energy: 0.8285246018848013
Energy: 1.0587230630203
Energy: 0.8285246018848013
Energy: 1.0587230630203
Energy: 1.193741009260153
Energy: 1.086579216586491
Energy: 1.1937410092586969
Energy: 1.086579216587219
Energy: 1.193741009260153
Energy: 1.0865792165879473
Energy: 0.9583370492642653
Energy: 0.9105263563114246
Energy: 0.9583370492649936
Energy: 0.9105263563121528
Energy: 0.9583370492649936
Energy: 0.9105263563143373
Energy: 1.0941176689971674
Energy: 0.9982023657493679
Energy: 1.0941176689913419
Energy: 0.9982023657471834
Energy: 1.0941176690073617
Energy: 0.9982023657464553
Energy: 0.8147476837446849
Energy: 0.9119208609815084
Energy: 0.7799641287761891
Energy: 0.9119208609800519
Energy: 0.7796757320124887
Energy: 0.9119208609793237
Energy: 1.1936882274230207
Energy: 0.9045932707918793
Energy: 1.1936882274222926
Energy: 0.8808820844271404
Energy: 1.1936882274230207
Energy: 0.8813356651096931

minimum gb energy = 0.7796757320124887 eV
minimum distance =  2.44809397491371 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.9730306877625006
Energy: 1.0660629929182401
Energy: 0.9730306877625006
Energy: 1.0660629929182401
Energy: 0.9730306877625006
Energy: 1.0660629929182401
Energy: 0.9332162089656005
Energy: 0.9219275133032565
Energy: 0.9332162089666304
Energy: 0.9219275133011969
Energy: 0.9332162089656005
Energy: 0.9219275133022268
Energy: 1.0776941773510327
Energy: 1.1351562523262493
Energy: 1.077694177353069
Energy: 1.1351562523262493
Energy: 1.0776941773551285
Energy: 1.1351562523252192
Energy: 0.8252006410015024
Energy: 0.9094866809119907
Energy: 0.8252006410025323
Energy: 0.9097143782993004
Energy: 0.825200640998413
Energy: 0.9099930830470985
Energy: 0.8160664801634424
Energy: 0.9232173879848331
Energy: 0.8525297050270222
Energy: 0.9233563113223184
Energy: 0.8531810005180392
Energy: 0.923358277268214
Energy: 0.798530446066087
Energy: 1.1139776534992591
Energy: 0.7987001634209976
Energy: 1.1139776534992591
Energy: 0.7987627792047334
Energy: 1.1139776535002888
Energy: 1.0001318971888569
Energy: 0.9456299498582308
Energy: 1.0001318971888569
Energy: 0.9456299498572011
Energy: 1.0001318971898867
Energy: 0.9456299498582308
Energy: 0.8247021122599685
Energy: 1.0213318500782964
Energy: 0.824702112257909
Energy: 1.0213318500793265
Energy: 0.8247021122558493
Energy: 1.0213318500793265
Energy: 0.7950900221230308
Energy: 0.9222911390795101
Energy: 0.7883912272077959
Energy: 0.9222911390805398
Energy: 0.7886348065650125
Energy: 0.9222911390795101
Energy: 0.9888962353542442
Energy: 1.0043520978399387
Energy: 0.9888962353532145
Energy: 1.0043520978399387
Energy: 0.9888962353552739
Energy: 1.004352097840969
Energy: 0.9725805571601557
Energy: 0.9893340887815119
Energy: 0.9725805571591258
Energy: 0.9893340887815119
Energy: 0.9725805571591258
Energy: 0.9893340887804822
Energy: 0.9370937856540424
Energy: 0.9206435250913166
Energy: 0.9370937856550724
Energy: 0.9206435250902868
Energy: 0.9370937856540424
Energy: 0.9206435250913166
Energy: 0.8239612930239312
Energy: 1.1112996373157766
Energy: 0.8239612930249609
Energy: 1.1112996373168065
Energy: 0.8239612930249609
Energy: 1.1112996373157766
Energy: 0.9963321536073918
Energy: 0.7533725097398397
Energy: 0.9963321536063618
Energy: 0.7493171264040233
Energy: 0.9963321536084214
Energy: 0.7533956171577897
Energy: 0.8255597442934086
Energy: 1.026095519400813
Energy: 0.8273775460314443
Energy: 1.0260955193997834
Energy: 0.8278424260665056
Energy: 1.0260955193997834
Energy: 0.8075684997955461
Energy: 1.0185407348217068
Energy: 0.8080871481809996
Energy: 1.0185407348217068
Energy: 0.8084898246806321
Energy: 1.018540734820677
Energy: 0.9878595356998738
Energy: 1.0306782163346302
Energy: 0.9878595357019336
Energy: 1.0306782163377195
Energy: 0.9878595356998738
Energy: 1.03067821633566

minimum gb energy = 0.7493171264040233 eV
minimum distance =  2.33957735213683 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.8810846887238224
Energy: 0.9243608831412223
Energy: 0.8810846887226294
Energy: 0.9243608831416202
Energy: 0.8810846887250154
Energy: 0.9243608831408249
Energy: 0.8736109206701675
Energy: 0.8979502753693887
Energy: 0.8736109206705651
Energy: 0.8979502753693887
Energy: 0.8736109206701675
Energy: 0.8979502753689909
Energy: 0.9301182237275719
Energy: 0.9706269944578935
Energy: 0.9301182200733952
Energy: 0.9706269944586887
Energy: 0.9301182132646628
Energy: 0.9706269944574957
Energy: 0.7927741145206783
Energy: 0.964272622823234
Energy: 0.792774114524655
Energy: 0.9640246373283319
Energy: 0.7927741145238596
Energy: 0.8759026607768801
Energy: 0.8780458026135897
Energy: 0.8866069702759949
Energy: 0.8780458026076245
Energy: 0.8866069702775855
Energy: 0.8780458026175663
Energy: 0.8866069702791762
Energy: 0.8455528132409881
Energy: 0.889658695946646
Energy: 0.8450332375426114
Energy: 0.889658695946646
Energy: 0.7390773155210311
Energy: 0.8896586959458507
Energy: 0.8750610143030804
Energy: 0.9483159164632907
Energy: 0.8750610143022849
Energy: 0.9483159164609047
Energy: 0.8750610143022849
Energy: 0.948315916459314
Energy: 0.9610664660419644
Energy: 0.9042135326503883
Energy: 0.9610664655320037
Energy: 0.9042135262177097
Energy: 0.9610664647501072
Energy: 0.9042135249802974
Energy: 0.9655176570836392
Energy: 0.9718379027646961
Energy: 0.9655176570824463
Energy: 0.9718379027646961
Energy: 0.9655176570840369
Energy: 0.9718379027650937
Energy: 0.8683818781732155
Energy: 0.8553459513160689
Energy: 0.8683818781720227
Energy: 0.8553459513148758
Energy: 0.8683818781724204
Energy: 0.8553459513156711
Energy: 0.7925964734888747
Energy: 0.9070575347329431
Energy: 0.7925964734825118
Energy: 0.9070575343768092
Energy: 0.7925964734852956
Energy: 0.9070575005435166
Energy: 1.0563798517864884
Energy: 0.8647645427219655
Energy: 1.0563798517876817
Energy: 0.8647645427195795
Energy: 1.0563798517912608
Energy: 0.864764542729919
Energy: 0.9547461781563911
Energy: 0.8851359560003571
Energy: 0.9547461781563911
Energy: 0.8851359559975733
Energy: 0.9547461781551982
Energy: 0.8851359560083106
Energy: 0.9538364003935158
Energy: 0.9330192773466282
Energy: 0.9538364003955043
Energy: 0.9330192773458327
Energy: 0.9538364003931181
Energy: 0.9330192773474234
Energy: 0.884017776397579
Energy: 0.8645084999604976
Energy: 0.8840177763947951
Energy: 0.8645084999441931
Energy: 0.884017776404737
Energy: 0.8645084999569184
Energy: 0.8750457030118605
Energy: 1.0117269136972904
Energy: 0.8750457030126558
Energy: 1.0117269136976879
Energy: 0.8750457030118605
Energy: 1.0117269136976879
Energy: 0.955904531780778
Energy: 1.0012771815815686
Energy: 0.955904531780778
Energy: 1.0012771815815686
Energy: 0.9559045317815735
Energy: 1.0012771815815686
Energy: 1.0077266137158722
Energy: 0.9701539827095214
Energy: 1.0077266114203616
Energy: 0.9701539827091237
Energy: 1.0077266095095812
Energy: 0.970153982707533
Energy: 0.982453058597108
Energy: 0.9551382678938674
Energy: 0.9824530585979034
Energy: 0.9551382678930719
Energy: 0.9824530585983011
Energy: 0.9551382678938674
Energy: 0.9550163567720992
Energy: 0.9459325623006586
Energy: 0.9550163567728944
Energy: 0.9459325623002609
Energy: 0.9550163567728944
Energy: 0.9459325623010565
Energy: 0.9824017696576827
Energy: 0.9556486127628928
Energy: 0.9824017696521152
Energy: 0.9556486127605068
Energy: 0.982401769657285
Energy: 0.9556486127656765
Energy: 1.007678936543021
Energy: 0.9703125266304677
Energy: 1.0076789339040297
Energy: 0.9703125266312631
Energy: 1.0076789298849342
Energy: 0.9703125266308654
Energy: 0.955884146737996
Energy: 1.001221244044713
Energy: 0.955884146737996
Energy: 1.0012212440451107
Energy: 0.9558841467375984
Energy: 1.001221244044713
Energy: 0.8749480102393846
Energy: 1.0068095073517997
Energy: 0.8749480102373964
Energy: 1.0068095073677066
Energy: 0.8749480102417708
Energy: 1.0068095073374834
Energy: 0.8839789210000808
Energy: 0.8646071348159249
Energy: 0.8839789209980925
Energy: 0.864607134823083
Energy: 0.8839789209980925
Energy: 0.8646071348222877
Energy: 0.9537880508486275
Energy: 0.9330886320455124
Energy: 0.9537880508518088
Energy: 0.9330886320451147
Energy: 0.9537880508486275
Energy: 0.9330886320463075
Energy: 0.9547544497933635
Energy: 0.8849059044532782
Energy: 0.9547544497945565
Energy: 0.8849059044584479
Energy: 0.9547544497929659
Energy: 0.8849059044524828
Energy: 1.0560766741316008
Energy: 0.8646869648671272
Energy: 1.0560766741288172
Energy: 0.8646869648730923
Energy: 1.0560766741319987
Energy: 0.8646869648603667
Energy: 0.7925785822507927
Energy: 0.9062684520908835
Energy: 0.7925785822515881
Energy: 0.9062684480801391
Energy: 0.7925785822507927
Energy: 0.9062684312338626
Energy: 0.8680865649636029
Energy: 0.881792405438989
Energy: 0.8680865648658117
Energy: 0.8817924045835592
Energy: 0.8680865649457077
Energy: 0.8817924028226652
Energy: 0.9654522858120338
Energy: 0.9714613452108204
Energy: 0.9654522858104431
Energy: 0.9714613452104227
Energy: 0.9654522858132268
Energy: 0.9714613452104227
Energy: 0.9608465473928716
Energy: 0.9043525591004687
Energy: 0.9608465465561323
Energy: 0.9043525585801683
Energy: 0.9608465456446669
Energy: 0.9043525565151633
Energy: 0.8748173077212277
Energy: 0.9481428526835358
Energy: 0.8748173077212277
Energy: 0.9481428526799568
Energy: 0.8748173077224207
Energy: 0.9481428526775707
Energy: 0.7378034936842081
Energy: 0.9068041781535551
Energy: 0.7383870897013269
Energy: 0.9068041781535551
Energy: 0.7382231597857414
Energy: 0.9068041781539529
Energy: 0.8538961732398214
Energy: 0.8865600312316724
Energy: 0.8538961551100388
Energy: 0.8865600312312748
Energy: 0.85389615759401
Energy: 0.8865600312320701
Energy: 0.7926517495789146
Energy: 0.9878707607123524
Energy: 0.7926517495777217
Energy: 0.9878707607175221
Energy: 0.7926517495816984
Energy: 0.987870764773565
Energy: 0.9299947689563379
Energy: 0.9706670499625294
Energy: 0.9299947625196825
Energy: 0.9706670499625294
Energy: 0.929994744645495
Energy: 0.9706670499609387
Energy: 0.8736247773621906
Energy: 0.9078297307262588
Energy: 0.8736247773609975
Energy: 0.9078297307262588
Energy: 0.8736247773605998
Energy: 0.9078297307262588
Energy: 0.8810846887222317
Energy: 0.9243608831412223
Energy: 0.8810846887214363
Energy: 0.9243608831412223
Energy: 0.8810846887218339
Energy: 0.9243608831408249
Energy: 0.8736109206705651
Energy: 0.8859800788479657
Energy: 0.8736109206697699
Energy: 0.8859800788483635
Energy: 0.8736109206705651
Energy: 0.8859800788483635
Energy: 0.9301182231054675
Energy: 0.9706269944586887
Energy: 0.9301182192012631
Energy: 0.9706269944590863
Energy: 0.9301182155673676
Energy: 0.970626994459484
Energy: 0.7927741145238596
Energy: 1.0120938233872157
Energy: 0.7927741145334037
Energy: 1.012093823378467
Energy: 0.7927741145278363
Energy: 1.0120938233728995
Energy: 0.8780458026116011
Energy: 0.8866069702708251
Energy: 0.8780458026040815
Energy: 0.8866069702775855
Energy: 0.8780458026100106
Energy: 0.8866069702736088

minimum gb energy = 0.7378034936842081 eV
minimum distance =  2.36635988179288 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.8784220742804686
Energy: 0.8504969460297633
Energy: 0.8784220742817637
Energy: 0.8504969460271734
Energy: 0.8784220742804686
Energy: 0.8504969460219932
Energy: 0.8566487154209375
Energy: 0.8335598416013715
Energy: 0.8566487154248225
Energy: 0.8335598416026666
Energy: 0.8566487154228801
Energy: 0.8335598416013715
Energy: 0.9734444899294665
Energy: 0.9000924705424216
Energy: 0.9734444899320563
Energy: 0.9000924705437167
Energy: 0.9734444899288189
Energy: 0.9000924705437167
Energy: 0.8542672756956871
Energy: 0.9341856595235496
Energy: 0.8542672756956871
Energy: 0.9341856595248447
Energy: 0.8542672756963346
Energy: 0.9341856595241971
Energy: 0.8572266506486931
Energy: 0.7834000554524633
Energy: 0.857226650646103
Energy: 0.7834000554537583
Energy: 0.857226650651283
Energy: 0.7834000554544059
Energy: 0.9521828042631368
Energy: 0.8390079503565983
Energy: 0.9521828042624891
Energy: 0.8390079503565983
Energy: 0.9521828042618418
Energy: 0.8390079503565983
Energy: 0.7939595301792941
Energy: 0.9061566030831768
Energy: 0.7939595301779991
Energy: 0.9061566030838242
Energy: 0.7939595301786465
Energy: 0.9061566030838242
Energy: 0.894481874622306
Energy: 0.8859787616812163
Energy: 0.8944818746177734
Energy: 0.8859788078253195
Energy: 0.894481874619716
Energy: 0.8859784262459709
Energy: 0.8472976518885444
Energy: 0.8364096360337038
Energy: 0.847297651885307
Energy: 0.8364096360330562
Energy: 0.847297651886602
Energy: 0.8364096360337038
Energy: 0.8520810972056482
Energy: 0.870240615050647
Energy: 0.8520810972043532
Energy: 0.870240615049352
Energy: 0.8520810972056482
Energy: 0.8702406150512947
Energy: 0.7937492817803432
Energy: 0.8940415810576606
Energy: 0.7937492817790482
Energy: 0.8940415810596031
Energy: 0.7937492817784008
Energy: 0.8940415810498905
Energy: 0.884204605651324
Energy: 0.8055400248221224
Energy: 0.8842046056526189
Energy: 0.8055400248234175
Energy: 0.884204605651324
Energy: 0.8055400248240651
Energy: 0.8482597709449742
Energy: 0.8997000815913879
Energy: 0.8482597709456217
Energy: 0.8997000815900928
Energy: 0.8482597709456217
Energy: 0.8997000815894453
Energy: 0.8180250673091481
Energy: 0.8961966117976001
Energy: 0.8180250673078531
Energy: 0.8961966117950101
Energy: 0.8180250673097955
Energy: 0.8961966117982477
Energy: 0.9437129652400431
Energy: 0.8667559302983002
Energy: 0.9437129652400431
Energy: 0.8667559302983002
Energy: 0.9437129652406907
Energy: 0.8667559302989477
Energy: 0.8461699816770064
Energy: 0.8340468822023037
Energy: 0.8461699816757114
Energy: 0.8340468822016561
Energy: 0.8461699816776539
Energy: 0.8340468822029512
Energy: 0.8854633571439685
Energy: 0.9290885506719161
Energy: 0.8854633571452635
Energy: 0.9290885506725637
Energy: 0.8854633571433209
Energy: 0.9290885506719161
Energy: 0.8277754216121459
Energy: 0.8934854933080809
Energy: 0.8277754216102035
Energy: 0.8934854933223261
Energy: 0.8277754216089084
Energy: 0.8934854932964258
Energy: 0.8297211906870603
Energy: 0.8797405026410761
Energy: 0.8297211906864127
Energy: 0.8797405026404287
Energy: 0.8297211906870603
Energy: 0.8797405026397811
Energy: 0.8183738768641088
Energy: 0.9232945662433872
Energy: 0.8183738768647562
Energy: 0.9232945662427399
Energy: 0.8183738768647562
Energy: 0.9232945662433872
Energy: 0.8633046435651266
Energy: 0.8932678141096484
Energy: 0.863304643569659
Energy: 0.8932678141090007
Energy: 0.8633046435683641
Energy: 0.8932678141044683
Energy: 0.7931896186447773
Energy: 0.8826127670547305
Energy: 0.7931896186454249
Energy: 0.8826127670540829
Energy: 0.7931896186486623
Energy: 0.882612767056673
Energy: 0.8887618775778223
Energy: 0.882555654100979
Energy: 0.8887618775784698
Energy: 0.882555654100979
Energy: 0.8887618775778223
Energy: 0.8825556541016266
Energy: 0.8884595807037103
Energy: 0.8800084177510947
Energy: 0.8884595807043579
Energy: 0.8800084177510947
Energy: 0.888459580705653
Energy: 0.8800084177504472
Energy: 0.8758072155593826
Energy: 1.0361334608128938
Energy: 0.8758072154985757
Energy: 1.0361334608128938
Energy: 0.8758072152713602
Energy: 1.0361334608109516
Energy: 0.8448474420173022
Energy: 0.8811292505810931
Energy: 0.8448474420166546
Energy: 0.8811292505804458
Energy: 0.8448474420185971
Energy: 0.8811292505804458
Energy: 0.8038009499263199
Energy: 0.879693874533806
Energy: 0.803800949925025
Energy: 0.8796938745279785
Energy: 0.8038009499276149
Energy: 0.8796938745292734

minimum gb energy = 0.7834000554524633 eV
minimum distance =  2.35538143735729 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.8172673683744097
Energy: 0.7514418998616189
Energy: 0.8172673683753532
Energy: 0.7514418998616189
Energy: 0.8172673683744097
Energy: 0.7514418998616189
Energy: 0.7422933409817573
Energy: 0.7588916461273016
Energy: 0.7422933409808138
Energy: 0.7588916461268298
Energy: 0.7422933409808138
Energy: 0.7588916461277735
Energy: 0.7964001716752401
Energy: 0.8143805278147924
Energy: 0.7964001716738247
Energy: 0.8143805278143206
Energy: 0.7964001716738247
Energy: 0.8143805278143206
Energy: 0.772295870220708
Energy: 0.7861935219325022
Energy: 0.7722958702216516
Energy: 0.7861935219315587
Energy: 0.7722958702211797
Energy: 0.7861935219320304
Energy: 0.7423880952719669
Energy: 0.7054855403121884
Energy: 0.7423880952253039
Energy: 0.7054855403126601
Energy: 0.7423880952606443
Energy: 0.7054855403126601
Energy: 0.7716293713566139
Energy: 0.7470205070939198
Energy: 0.7716293713575576
Energy: 0.7470205070934478
Energy: 0.771629371358501
Energy: 0.7470205070934478
Energy: 0.7488798973779718
Energy: 0.7715120903986393
Energy: 0.7488798973770283
Energy: 0.7715120903995827
Energy: 0.7488798973774999
Energy: 0.7715120903995827
Energy: 0.7433562683223497
Energy: 0.7064150705165598
Energy: 0.7433562683228213
Energy: 0.706415070516088
Energy: 0.743356268321406
Energy: 0.706415070516088
Energy: 0.7359480262935445
Energy: 0.7327779574599105
Energy: 0.7359480262930728
Energy: 0.7327779574603823
Energy: 0.735948026292601
Energy: 0.7327779574599105
Energy: 0.8248358595675148
Energy: 0.7355713148311354
Energy: 0.8248358595670432
Energy: 0.7355713148311354
Energy: 0.8248358595675148
Energy: 0.7355713148287765
Energy: 0.8090244442819433
Energy: 0.7963634636197048
Energy: 0.8090244442819433
Energy: 0.7963634636192329
Energy: 0.8090244442819433
Energy: 0.7963634636182895
Energy: 0.7036069962057443
Energy: 0.734636391104073
Energy: 0.7036069962057443
Energy: 0.7346363911050164
Energy: 0.7036069962053154
Energy: 0.7346363911050164
Energy: 0.8230722712319936
Energy: 0.7023367981836377
Energy: 0.8230722712319936
Energy: 0.7023367981836377
Energy: 0.8230722712319936
Energy: 0.7023367981841094
Energy: 0.7391293429217792
Energy: 0.7922956739212031
Energy: 0.7391293429231945
Energy: 0.7922956739207314
Energy: 0.7391293429213075
Energy: 0.7922956739207314
Energy: 0.7288724689414104
Energy: 0.7249208821870592
Energy: 0.7288724689409387
Energy: 0.7249208821870592
Energy: 0.7288724689418822
Energy: 0.724920882187531
Energy: 0.7826988479521294
Energy: 0.7422451254364987
Energy: 0.7826988479526013
Energy: 0.7422451254369705
Energy: 0.7826988479526013
Energy: 0.7422451254369705
Energy: 0.7519908259143292
Energy: 0.7852660204765435
Energy: 0.7519908259152728
Energy: 0.7852660204784306
Energy: 0.7519908259143292
Energy: 0.7852660204779588
Energy: 0.7499737990454991
Energy: 0.7258655541450889
Energy: 0.7499737990450273
Energy: 0.7258655541446171
Energy: 0.7499737990454991
Energy: 0.7258655541450889
Energy: 0.7488503209027578
Energy: 0.8024130081527452
Energy: 0.7488503209032296
Energy: 0.8024130081527452
Energy: 0.7488503209037013
Energy: 0.8024130081532168
Energy: 0.7529784755099084
Energy: 0.7162523392513594
Energy: 0.7529784755103802
Energy: 0.7162523392508876
Energy: 0.7529784755099084
Energy: 0.7162523392518312
Energy: 0.7997329147721005
Energy: 0.7575636369783265
Energy: 0.7997329147702134
Energy: 0.7575636369792701
Energy: 0.7997329147697415
Energy: 0.7575636369787984
Energy: 0.7803522142750947
Energy: 0.8075848411590337
Energy: 0.7803522142760383
Energy: 0.8075848411590337
Energy: 0.7803522142750947
Energy: 0.8075848411590337
Energy: 0.7790089154700677
Energy: 0.7971385909386481
Energy: 0.7790089154695957
Energy: 0.7971385909386481
Energy: 0.7790089154705392
Energy: 0.7971385909381764
Energy: 0.764993829891379
Energy: 0.757193880307966
Energy: 0.764993829893266
Energy: 0.7571938803084377
Energy: 0.764993829891379
Energy: 0.757193880307966
Energy: 0.710182153647182
Energy: 0.706641033767777
Energy: 0.7101821536476537
Energy: 0.7066410337654181
Energy: 0.7101821536467102
Energy: 0.7066410337668335
Energy: 0.7259132668488771
Energy: 0.7783463124933926
Energy: 0.7259132668488771
Energy: 0.7783463124933926
Energy: 0.7259132668484053
Energy: 0.7783463124933926
Energy: 0.7739094389929139
Energy: 0.7244540546627237
Energy: 0.7739094389929139
Energy: 0.7244540546646108
Energy: 0.7739094389924421
Energy: 0.7244540546636672
Energy: 0.6680218626027584
Energy: 0.7045373202806317
Energy: 0.6680218626041737
Energy: 0.7045373202811034
Energy: 0.6680218626032303
Energy: 0.7045373202811034
Energy: 0.7260823971317464
Energy: 0.7352265963088576
Energy: 0.7260823971308028
Energy: 0.7352265963088576
Energy: 0.7260823971317464
Energy: 0.7352265963083858
Energy: 0.7253000577321596
Energy: 0.706352214881647
Energy: 0.7253000577316879
Energy: 0.7063522148802316
Energy: 0.725300057733575
Energy: 0.706352214881647
Energy: 0.6725952395081319
Energy: 0.7051244531318785
Energy: 0.7499481267219696
Energy: 0.705124453130935
Energy: 0.6725952395081319
Energy: 0.7051244531318785
Energy: 0.7264585977517133
Energy: 0.7055127011408014
Energy: 0.7264585977512414
Energy: 0.7055127011408014
Energy: 0.7264585977507696
Energy: 0.7055127011408014
Energy: 0.700808756855415
Energy: 0.7068736169118374
Energy: 0.7008087568610764
Energy: 0.7068736169123092
Energy: 0.7008087568591893
Energy: 0.7068736169118374
Energy: 0.8101727461329808
Energy: 0.7956680391856937
Energy: 0.810172746132509
Energy: 0.7956680391842784
Energy: 0.810172746132509
Energy: 0.7956680391847504
Energy: 0.7564767292167371
Energy: 0.6859449132675375
Energy: 0.7564767292148501
Energy: 0.6859449132675375
Energy: 0.756476729217209
Energy: 0.6859449132675375
Energy: 0.644341219584124
Energy: 0.7074833595599912
Energy: 0.6443412195822369
Energy: 0.7074833595590476
Energy: 0.6443412195850675
Energy: 0.7074833595585759

minimum gb energy = 0.6443412195822369 eV
minimum distance =  2.33066732386901 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.007178018770595683
Energy: 0.04956590364598476
Energy: 0.007178018770241121
Energy: 0.04956590364598476
Energy: 0.007178018770418402
Energy: 0.049565903646674174
Energy: 0.6240854587843455
Energy: 0.009729993836996458
Energy: 0.6240854587845228
Energy: 0.009729993836819176
Energy: 0.6240854587845228
Energy: 0.009729993832840202
Energy: 0.624154564288444
Energy: 0.008340659800175801
Energy: 0.6241545642887789
Energy: 0.008340659803307766
Energy: 0.6241545642891335
Energy: 0.00834065980157435
Energy: 0.007178018770418402
Energy: 0.04956590364598476
Energy: 0.007178018770418402
Energy: 0.04956590364685146
Energy: 0.007178018770241121
Energy: 0.049565903646162035
Energy: 0.6240854587845228
Energy: 0.009729993829708237
Energy: 0.6240854587843455
Energy: 0.009729993833529627
Energy: 0.6240854587841681
Energy: 0.009729993831618934
Energy: 0.6241545642889561
Energy: 0.008340659801909216
Energy: 0.6241545642886213
Energy: 0.008340659805376044
Energy: 0.6241545642889561
Energy: 0.008340659804509336
Energy: 0.007178018770241121
Energy: 0.049565903646162035
Energy: 0.007178018770083537
Energy: 0.049565903647028745
Energy: 0.007178018770083537
Energy: 0.04956590364545292
Energy: 0.6240854587841681
Energy: 0.009729993834219054
Energy: 0.6240854587843455
Energy: 0.009729993834396334
Energy: 0.6240854587843455
Energy: 0.009729993834573616
Energy: 0.6241545642887789
Energy: 0.008340659806242752
Energy: 0.6241545642886213
Energy: 0.00834065980521846
Energy: 0.6241545642889561
Energy: 0.00834065980364263
Energy: 0.007178018770772964
Energy: 0.049565903646162035
Energy: 0.007178018770772964
Energy: 0.049565903644763494
Energy: 0.007178018770595683
Energy: 0.04956590364736361

minimum gb energy = 0.007178018770083537 eV
minimum distance =  2.55117672088737 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.5778971268703383
Energy: 0.6288783232601829
Energy: 0.577897126870857
Energy: 0.6288783232601829
Energy: 0.5778971268703383
Energy: 0.6288783232601829
Energy: 0.4774361171153366
Energy: 0.5161299329873722
Energy: 0.477436117116374
Energy: 0.5161299329884097
Energy: 0.4774361171174115
Energy: 0.5161299329827037
Energy: 0.5614673304891229
Energy: 0.5181547457654216
Energy: 0.5614673304896417
Energy: 0.518154745764903
Energy: 0.5614673304896417
Energy: 0.5181547457654216
Energy: 0.5155374537534537
Energy: 0.5792690251187551
Energy: 0.5155374537534537
Energy: 0.5792690251192739
Energy: 0.5155374537534537
Energy: 0.5792690251197926
Energy: 0.5108082151273692
Energy: 0.5156725151375954
Energy: 0.5108082151263318
Energy: 0.5156725151375954
Energy: 0.5108082151273692
Energy: 0.5156725151375954
Energy: 0.5637140867830613
Energy: 0.5259847612851869
Energy: 0.563714086782024
Energy: 0.5259847612851869
Energy: 0.563714086782024
Energy: 0.5259847612846682
Energy: 0.5335278362477273
Energy: 0.5587734948898351
Energy: 0.5335278362472086
Energy: 0.5587734948887977
Energy: 0.5335278362482461
Energy: 0.5587734948856853
Energy: 0.5093604899314672
Energy: 0.5157546645910182
Energy: 0.5093604899314672
Energy: 0.5157546645904995
Energy: 0.5093604899319859
Energy: 0.5157546645910182
Energy: 0.5739426507081928
Energy: 0.5324232947348919
Energy: 0.5739426507081928
Energy: 0.5324232947348919
Energy: 0.5739426507081928
Energy: 0.5324232947343732
Energy: 0.5339155249201987
Energy: 0.5598066910488355
Energy: 0.5339155249217548
Energy: 0.5598066910493543
Energy: 0.5339155249201987
Energy: 0.559806691049873
Energy: 0.5444098671306078
Energy: 0.5149579665961558
Energy: 0.5444098671326828
Energy: 0.5149579665951183
Energy: 0.5444098671326828
Energy: 0.5149579665935621
Energy: 0.5823861193501777
Energy: 0.5795309404292774
Energy: 0.5823861193491403
Energy: 0.5795309404272025
Energy: 0.5823861193491403
Energy: 0.579530940430315
Energy: 0.5161902017903747
Energy: 0.5251543515146238
Energy: 0.516190201789856
Energy: 0.5251543515146238
Energy: 0.516190201789856
Energy: 0.5251543515146238
Energy: 0.5613950331482659
Energy: 0.4899665173590116
Energy: 0.561395033144116
Energy: 0.48996651735953034
Energy: 0.5613950331451536
Energy: 0.48996651735953034
Energy: 0.5342093682661231
Energy: 0.5673485821911551
Energy: 0.5342093682666418
Energy: 0.567348582191674
Energy: 0.5342093682656043
Energy: 0.567348582191674
Energy: 0.5163897109923968
Energy: 0.5164260508510159
Energy: 0.5163897109949905
Energy: 0.5164260508536096
Energy: 0.5163897109923968
Energy: 0.5164260508504972
Energy: 0.5613297706044394
Energy: 0.5827935036164819
Energy: 0.5613297706054767
Energy: 0.5827935036170007
Energy: 0.5613297706039206
Energy: 0.5827935036170007
Energy: 0.5745550062410555
Energy: 0.5382561191170672
Energy: 0.5745550062405368
Energy: 0.5382561191181047
Energy: 0.5745550062410555
Energy: 0.538256119117586
Energy: 0.5165252866511149
Energy: 0.48545760964392554
Energy: 0.5165252866511149
Energy: 0.48545760964392554
Energy: 0.5165252866505962
Energy: 0.4854576096434068
Energy: 0.5443280673435218
Energy: 0.6082806904064006
Energy: 0.5443280673440405
Energy: 0.6082806904069193
Energy: 0.5443280673430031
Energy: 0.6082806904069193
Energy: 0.5708064047391497
Energy: 0.3978894341716368
Energy: 0.5708064047396684
Energy: 0.3978894341664495
Energy: 0.5708064047391497
Energy: 0.39788943417008066
Energy: 0.49257172016169504
Energy: 0.527696919558059
Energy: 0.4925717201627326
Energy: 0.5276969195590965
Energy: 0.4925717201627326
Energy: 0.527696919558059
Energy: 0.5689790572447813
Energy: 0.4932964684209615
Energy: 0.5689790572463375
Energy: 0.4932964684204428
Energy: 0.5689790572463375
Energy: 0.4932964684209615
Energy: 0.5748981546065447
Energy: 0.3938370395440742
Energy: 0.5748981546091384
Energy: 0.3938370395466677
Energy: 0.5748981546075822
Energy: 0.39383703954511157
Energy: 0.516428274575959
Energy: 0.5512291130432129
Energy: 0.5164282745749215
Energy: 0.5512291130432129
Energy: 0.516428274575959
Energy: 0.5512291130442503
Energy: 0.5770740313670208
Energy: 0.515036161117968
Energy: 0.5770740313670208
Energy: 0.5150361611184866
Energy: 0.5770740313680583
Energy: 0.515036161117968
Energy: 0.6549497729038591
Energy: 0.4964372383377458
Energy: 0.6549497729038591
Energy: 0.49643723833722697
Energy: 0.6549497729048966
Energy: 0.4964372383377458
Energy: 0.5345110847945891
Energy: 0.5791034847359144
Energy: 0.5345110847935516
Energy: 0.579103484736433
Energy: 0.5345110847945891
Energy: 0.5791034847369517
Energy: 0.5820022303161793
Energy: 0.5155097826130329
Energy: 0.5820022303161793
Energy: 0.5155097826130329
Energy: 0.5820022303161793
Energy: 0.515509782612514
Energy: 0.6556028641392957
Energy: 0.6435757537464972
Energy: 0.655602864138777
Energy: 0.6435757537464972
Energy: 0.655602864138777
Energy: 0.6435757537464972
Energy: 0.5513365290111348
Energy: 0.5758847182346338
Energy: 0.5513365290111348
Energy: 0.5758847182341151
Energy: 0.5513365290111348
Energy: 0.5758847182341151
Energy: 0.5624569609857561
Energy: 0.5260077808244789
Energy: 0.5624569609857561
Energy: 0.5260077808244789
Energy: 0.5624569609857561
Energy: 0.5260077808244789
Energy: 0.5249954618918155
Energy: 0.5761017879196869
Energy: 0.5249954618923341
Energy: 0.5761017879207245
Energy: 0.5249954618923341
Energy: 0.5761017879202057

minimum gb energy = 0.3938370395440742 eV
minimum distance =  2.38869518033927 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.7558630984450101
Energy: 0.7335445940999682
Energy: 0.7558630984442709
Energy: 0.733544594099229
Energy: 0.7558630984457492
Energy: 0.7335445940999682
Energy: 0.7344550338941169
Energy: 0.7457709949022729
Energy: 0.7344550338941169
Energy: 0.7457709949022729
Energy: 0.7344550338941169
Energy: 0.7457709949022729
Energy: 0.7768671322641796
Energy: 0.7443127616570395
Energy: 0.7768671322634404
Energy: 0.7443127616570395
Energy: 0.7768671322649188
Energy: 0.7443127616570395
Energy: 0.7420729968048364
Energy: 0.7913108893641732
Energy: 0.7420729968055756
Energy: 0.7913108893641732
Energy: 0.7420729968048364
Energy: 0.791310889362695
Energy: 0.7369975154079463
Energy: 0.7371901373557984
Energy: 0.7369975154086855
Energy: 0.7371901373557984
Energy: 0.7369975154086855
Energy: 0.7371901373557984
Energy: 0.7826277944821317
Energy: 0.7349655199389039
Energy: 0.7826277944821317
Energy: 0.7349655199389039
Energy: 0.7826277944813925
Energy: 0.7349655199381647
Energy: 0.8609623149804946
Energy: 0.7767358886979906
Energy: 0.8609623149760597
Energy: 0.7767358886987297
Energy: 0.8609623149760597
Energy: 0.7767358886979906
Energy: 0.7776504787580691
Energy: 0.7388960063198208
Energy: 0.7776504787580691
Energy: 0.73889600632056
Energy: 0.7776504787580691
Energy: 0.7388960063198208
Energy: 0.8002802401107767
Energy: 0.8032228836017465
Energy: 0.8002802401107767
Energy: 0.8032228836024857
Energy: 0.8002802401122548
Energy: 0.8032228836024857
Energy: 0.7338408815207362
Energy: 0.733109361663396
Energy: 0.7338408815207362
Energy: 0.733109361663396
Energy: 0.7338408815207362
Energy: 0.733109361663396
Energy: 0.7745516866969664
Energy: 0.7381149887448741
Energy: 0.7745516866969664
Energy: 0.7381149887448741
Energy: 0.7745516866962273
Energy: 0.7381149887448741
Energy: 0.7342047073253343
Energy: 0.770958833714013
Energy: 0.7342047073253343
Energy: 0.7709588337147522
Energy: 0.7342047073245952
Energy: 0.7709588337147522
Energy: 0.7327527770686533
Energy: 0.7339734584216976
Energy: 0.7327527770693926
Energy: 0.7339734584216976
Energy: 0.7327527770686533
Energy: 0.7339734584216976
Energy: 0.7671119004209846
Energy: 0.7241073185697651
Energy: 0.7671119004202455
Energy: 0.7241073185668084
Energy: 0.7671119004217237
Energy: 0.7241073185697651
Energy: 0.7371167854467114
Energy: 0.7393908652332424
Energy: 0.7371167854474505
Energy: 0.7393908652332424
Energy: 0.7371167854467114
Energy: 0.7393908652339815
Energy: 0.7217089104369044
Energy: 0.7454807207884976
Energy: 0.7217089104361653
Energy: 0.7454807207877585
Energy: 0.7217089104369044
Energy: 0.7454807207877585
Energy: 0.8032629328834003
Energy: 0.7462486189551623
Energy: 0.8032629328826612
Energy: 0.7462486189559014
Energy: 0.8032629328819222
Energy: 0.7462486189551623
Energy: 0.7361750578184963
Energy: 0.7328046476019211
Energy: 0.7361750578199746
Energy: 0.7328046476019211
Energy: 0.7361750578096268
Energy: 0.7328046476026602
Energy: 0.7385469091627824
Energy: 0.7766351884381172
Energy: 0.7385469091642607
Energy: 0.7766351884381172
Energy: 0.7385469091635216
Energy: 0.7766351884381172
Energy: 0.7262397928907294
Energy: 0.7447124180865005
Energy: 0.7262397928899902
Energy: 0.7447124180857613
Energy: 0.7262397928899902
Energy: 0.7447124180857613
Energy: 0.7633099840266154
Energy: 0.7316015815479487
Energy: 0.7633099840273547
Energy: 0.7316015815486879
Energy: 0.7633099840280938
Energy: 0.7316015815479487
Energy: 0.7343558577735092
Energy: 0.802205806356345
Energy: 0.7343558577712918
Energy: 0.8022058063570842
Energy: 0.7343558577712918
Energy: 0.8022058063578233
Energy: 0.7810229858722947
Energy: 0.7438196188667598
Energy: 0.7810229858752512
Energy: 0.7438196188660208
Energy: 0.7810229858737728
Energy: 0.7438196188667598

minimum gb energy = 0.7217089104361653 eV
minimum distance =  2.40361041791085 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.8665369458679152
Energy: 0.8959790966462724
Energy: 0.8665369458674462
Energy: 0.8959790966462724
Energy: 0.8665369458674462
Energy: 0.8959790966462724
Energy: 0.8678644366464346
Energy: 0.8427370553293191
Energy: 0.8678644366450281
Energy: 0.8427370553293191
Energy: 0.8678644366469036
Energy: 0.842737055329788
Energy: 0.877815578372724
Energy: 0.8603432253586221
Energy: 0.877815578372724
Energy: 0.8603432253586221
Energy: 0.877815578372724
Energy: 0.8603432253586221
Energy: 0.8521110872098238
Energy: 0.9496132913194538
Energy: 0.8521110872093548
Energy: 0.9496132913161714
Energy: 0.8521110872098238
Energy: 0.9496132913171093
Energy: 0.8896572417026188
Energy: 0.84158133120152
Energy: 0.88965724170215
Energy: 0.8415813312019889
Energy: 0.8896572417012122
Energy: 0.8415813312029267
Energy: 0.9189208487196734
Energy: 0.8688255123198626
Energy: 0.9189208487182668
Energy: 0.9569063670001218
Energy: 0.9189208487192045
Energy: 0.9097972062528247
Energy: 0.843028654248272
Energy: 0.9230407338366958
Energy: 0.8430286542478034
Energy: 0.9230407338357581
Energy: 0.8430286542468655
Energy: 0.9230407338357581
Energy: 0.9267098827573033
Energy: 0.8734334705472264
Energy: 0.9267098827563655
Energy: 0.8734334705476954
Energy: 0.9267098827577721
Energy: 0.8734334705476954
Energy: 0.8618590498930545
Energy: 0.906471067562837
Energy: 0.8618590498921166
Energy: 0.9064710675623681
Energy: 0.8618590498921166
Energy: 0.9064710675618991
Energy: 0.851961643264289
Energy: 0.8878743024156683
Energy: 0.8519616432628825
Energy: 0.8878743024151994
Energy: 0.851961643264289
Energy: 0.8878743024156683
Energy: 0.9134931131335956
Energy: 0.8413677429744729
Energy: 0.9134931131331266
Energy: 0.841367742974004
Energy: 0.9134931131331266
Energy: 0.8413677429744729
Energy: 0.8622819983312123
Energy: 0.8788897478735985
Energy: 0.8622819983307434
Energy: 0.8788897478735985
Energy: 0.8622819983312123
Energy: 0.8788897478731296
Energy: 0.852122569984668
Energy: 0.87102473450586
Energy: 0.8521225699851368
Energy: 0.8710247345053911
Energy: 0.852122569984668
Energy: 0.87102473450586
Energy: 0.8660816479343024
Energy: 0.8437904863493737
Energy: 0.8660816479328959
Energy: 0.8437904863493737
Energy: 0.8660816479338337
Energy: 0.8437904863493737
Energy: 0.8591925303388283
Energy: 0.8743619449162755
Energy: 0.859192530340235
Energy: 0.8743619449162755
Energy: 0.859192530340235
Energy: 0.8743619449167445
Energy: 0.8526847763559161
Energy: 0.9010485379125287
Energy: 0.8526847763563848
Energy: 0.9010485379111219
Energy: 0.8526847763554471
Energy: 0.9010485379115909
Energy: 0.8874419357835396
Energy: 0.8606556152096823
Energy: 0.8874419357835396
Energy: 0.8606556152101509
Energy: 0.8874419357826017
Energy: 0.8606556152101509
Energy: 0.8985270431901897
Energy: 0.930771552214334
Energy: 0.8985270431892519
Energy: 0.930771552210114
Energy: 0.898527043188314
Energy: 0.9307715522124584
Energy: 0.8584091730820593
Energy: 0.9181760355485619
Energy: 0.8584091730815904
Energy: 0.9181760355457486
Energy: 0.8584091730820593
Energy: 0.918176035548093
Energy: 0.9319441095890276
Energy: 0.8425955388161523
Energy: 0.9319441095885588
Energy: 0.8425955388161523
Energy: 0.9319441095871519
Energy: 0.8425955388161523
Energy: 0.842318395694527
Energy: 0.9149037183395153
Energy: 0.8423183956954647
Energy: 0.9149037183390464
Energy: 0.8423183956940581
Energy: 0.9149037183395153
Energy: 0.8580553223454712
Energy: 0.880398469195482
Energy: 0.8580553223450024
Energy: 0.880398469195482
Energy: 0.8580553223450024
Energy: 0.880398469195482
Energy: 0.9481320352311942
Energy: 0.8419706947144012
Energy: 0.9481320352321319
Energy: 0.8419706947144012
Energy: 0.9481320352321319
Energy: 0.8419706947144012
Energy: 0.8524726710021626
Energy: 0.876615123898557
Energy: 0.8524726710021626
Energy: 0.876615123898557
Energy: 0.8524726710016937
Energy: 0.876615123898557
Energy: 0.8573238039577998
Energy: 0.8772399666575346
Energy: 0.8573238039577998
Energy: 0.8772399666570656
Energy: 0.8573238039577998
Energy: 0.8772399666570656
Energy: 0.915280808225959
Energy: 0.8637075022879416
Energy: 0.9152808082264279
Energy: 0.8637075022879416
Energy: 0.9152808082268968
Energy: 0.8637075022884104
Energy: 0.8553711167874087
Energy: 0.8790016052912001
Energy: 0.8553711167860022
Energy: 0.8790016052912001
Energy: 0.8553711167864712
Energy: 0.8790016052912001
Energy: 0.8382457007160892
Energy: 0.9316877966459974
Energy: 0.8382457007160892
Energy: 0.9316877966445908
Energy: 0.838245700716558
Energy: 0.931687796643184
Energy: 0.9271246468252781
Energy: 0.8413362541262727
Energy: 0.9271246468248092
Energy: 0.8413362541267416
Energy: 0.9271246468252781
Energy: 0.8413362541272106
Energy: 0.8535425250144513
Energy: 0.9229809910577861
Energy: 0.8535425250144513
Energy: 0.9229809910573171
Energy: 0.8535425250149202
Energy: 0.922980991058255
Energy: 0.9215588405164209
Energy: 0.9450037751465011
Energy: 0.9215588405197032
Energy: 0.9450037751408745
Energy: 0.9215588405182964
Energy: 0.9450037751399366
Energy: 0.888073048810821
Energy: 0.8430106632082112
Energy: 0.888073048811759
Energy: 0.8430106632072734
Energy: 0.8880730488103522
Energy: 0.8430106632077422
Energy: 0.8589706874145137
Energy: 0.9010639077544907
Energy: 0.8589706874149826
Energy: 0.9010639077540218
Energy: 0.8589706874145137
Energy: 0.9010639077540218
Energy: 0.8620152131897494
Energy: 0.8431149949395822
Energy: 0.8620152131906871
Energy: 0.8431149949409887
Energy: 0.8620152131906871
Energy: 0.843114994940051
Energy: 0.8747817897431899
Energy: 0.8605458527235305
Energy: 0.874781789742721
Energy: 0.8605458527230618
Energy: 0.8747817897431899
Energy: 0.8605458527225929
Energy: 0.852960156544053
Energy: 0.8612723328784668
Energy: 0.852960156544053
Energy: 0.8612723328789356
Energy: 0.852960156544053
Energy: 0.8612723328789356
Energy: 0.8696013385483786
Energy: 0.8682893263075887
Energy: 0.8696013385469717
Energy: 0.8682893263085265
Energy: 0.8696013385479097
Energy: 0.8682893263094642

minimum gb energy = 0.8382457007160892 eV
minimum distance =  2.36540580188663 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.098301597922459
Energy: 1.083544636879361
Energy: 1.0983015979237394
Energy: 1.083544636879361
Energy: 1.098301597922459
Energy: 1.083544636879361
Energy: 1.1151248059507437
Energy: 1.075770665697898
Energy: 1.1151248059507437
Energy: 1.0757706656991783
Energy: 1.1151248059507437
Energy: 1.075770665697898
Energy: 1.1878895763407984
Energy: 1.0726641956026934
Energy: 1.3023454997368094
Energy: 1.0726641956026934
Energy: 1.168561502876666
Energy: 1.0726641956026934
Energy: 1.0767032315029104
Energy: 1.167912673136792
Energy: 1.07670323150163
Energy: 1.1679126731355116
Energy: 1.0767032315041907
Energy: 1.167912673136792
Energy: 1.1669138338533058
Energy: 1.0869656297606651
Energy: 1.1669138338520255
Energy: 1.0869656297606651
Energy: 1.1669138338533058
Energy: 1.0869656297606651
Energy: 1.1898873929162446
Energy: 1.1731532172700792
Energy: 1.1898873929162446
Energy: 1.1731532172713595
Energy: 1.1898873929162446
Energy: 1.1731532172700792
Energy: 1.0894622243162273
Energy: 1.1093288039778457
Energy: 1.0894622243162273
Energy: 1.1093288039765656
Energy: 1.0894622243162273
Energy: 1.1093288039778457
Energy: 1.1277846237919416
Energy: 1.0761506267793925
Energy: 1.1277846237932216
Energy: 1.0761506267793925
Energy: 1.1277846237919416
Energy: 1.0761506267793925
Energy: 1.1240070451047275
Energy: 1.1247542116226141
Energy: 1.1240070451047275
Energy: 1.1247542116226141
Energy: 1.1240070451047275
Energy: 1.1247542116226141
Energy: 1.0760257750577198
Energy: 1.1195302227874635
Energy: 1.0760257750589999
Energy: 1.1195302227874635
Energy: 1.0760257750577198
Energy: 1.1195302227874635
Energy: 1.115051478460485
Energy: 1.0729801709627427
Energy: 1.1150514784592047
Energy: 1.0729801709614624
Energy: 1.115051478460485
Energy: 1.0729801709627427
Energy: 1.1314324991338662
Energy: 1.0738813082197713
Energy: 1.1314324991338662
Energy: 1.0738813082197713
Energy: 1.1314324991338662
Energy: 1.0738813082197713
Energy: 1.092830235901477
Energy: 1.1667625154940724
Energy: 1.092830235901477
Energy: 1.1667625154953525
Energy: 1.092830235901477
Energy: 1.1667625154940724
Energy: 1.167072104765012
Energy: 1.0762569094686296
Energy: 1.167072104765012
Energy: 1.0762569094686296
Energy: 1.167072104765012
Energy: 1.0762569094673493

minimum gb energy = 1.0726641956026934 eV
minimum distance =  2.37311248450955 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.296476255151098
Energy: 1.31833239937453
Energy: 1.2964762551505356
Energy: 1.31833239937453
Energy: 1.296476255151098
Energy: 1.31833239937453
Energy: 1.3028007000059063
Energy: 1.2602022638105395
Energy: 1.3028007000053439
Energy: 1.2602022638105395
Energy: 1.3028007000059063
Energy: 1.2602022638105395
Energy: 1.4083308712823792
Energy: 1.272214421576553
Energy: 1.3713060306750142
Energy: 1.272214421576553
Energy: 1.408330871283504
Energy: 1.272214421576553
Energy: 1.2690611351846008
Energy: 1.3387269492952343
Energy: 1.2690611351846008
Energy: 1.3387269492952343
Energy: 1.2690611351846008
Energy: 1.3387269492952343
Energy: 1.3647731231601652
Energy: 1.2784125583517416
Energy: 1.3647731231596025
Energy: 1.2784125583517416
Energy: 1.3647731231601652
Energy: 1.2784125583511794
Energy: 1.2654889464877954
Energy: 1.3189109799499494
Energy: 1.2654889464866705
Energy: 1.318910979949387
Energy: 1.265488946487233
Energy: 1.318910979949387
Energy: 1.273515777757963
Energy: 1.3695278939759732
Energy: 1.273515777757963
Energy: 1.3695278939770725
Energy: 1.2735157777574007
Energy: 1.3695278939776347
Energy: 1.3360985214306933
Energy: 1.2652190525323808
Energy: 1.3360985214306933
Energy: 1.2652190525323808
Energy: 1.3360985214306933
Energy: 1.2652190525323808
Energy: 1.3455131564915388
Energy: 1.2646123601954926
Energy: 1.3455131564921012
Energy: 1.2646123601954926
Energy: 1.3455131564915388
Energy: 1.2646123601965917
Energy: 1.2818738488571912
Energy: 1.3597845900328238
Energy: 1.2818738488577537
Energy: 1.359784590033386
Energy: 1.2818738488571912
Energy: 1.359784590033386
Energy: 1.3468912797270887
Energy: 1.2839415768485567
Energy: 1.3468912797270887
Energy: 1.283941576849119
Energy: 1.3468912797270887
Energy: 1.283941576849119
Energy: 1.3233750731388128
Energy: 1.3160678455933337
Energy: 1.323375073137688
Energy: 1.3160678455927715
Energy: 1.323375073137688
Energy: 1.3160678455933337
Energy: 1.2688877974763628
Energy: 1.3505784818559197
Energy: 1.2688877974774875
Energy: 1.3505784818559197
Energy: 1.2688877974763628
Energy: 1.3505784818559197
Energy: 1.3861145329078288
Energy: 1.2613567909375196
Energy: 1.3861145329089535
Energy: 1.2613567909375196
Energy: 1.3861145329089535
Energy: 1.2613567909375196
Energy: 1.3454639173623748
Energy: 1.2914534747298079
Energy: 1.3454639173629372
Energy: 1.2914534747292454
Energy: 1.3454639173623748
Energy: 1.29145347473037
Energy: 1.2920111900378584
Energy: 1.335801515840681
Energy: 1.2920111900378584
Energy: 1.3358015158384569
Energy: 1.2920111900372961
Energy: 1.3358015158390193
Energy: 1.3502198620606358
Energy: 1.2752461532161994
Energy: 1.3502198620600734
Energy: 1.2752461532156367
Energy: 1.3502198620600734
Energy: 1.2752461532156367
Energy: 1.3124368793299412
Energy: 1.326892895519541
Energy: 1.3124368793305037
Energy: 1.3268928955189787
Energy: 1.3124368793293788
Energy: 1.3268928955189787
Energy: 1.2740436554132852
Energy: 1.3130740675846648
Energy: 1.2740436554132852
Energy: 1.3130740675846648
Energy: 1.2740436554132852
Energy: 1.3130740675852273
Energy: 1.3395456196931663
Energy: 1.2886565744619776
Energy: 1.3395456194986806
Energy: 1.2886565744619776
Energy: 1.3395456187217845
Energy: 1.2886565744619776
Energy: 1.2802437148545072
Energy: 1.3446143934341586
Energy: 1.280243714853945
Energy: 1.3446143934341586
Energy: 1.2802437148545072
Energy: 1.3446143934341586
Energy: 1.2660527153898622
Energy: 1.3440449366317673
Energy: 1.2660527153904244
Energy: 1.3440449366323295
Energy: 1.266052715390987
Energy: 1.3440449366334544
Energy: 1.3692748811857554
Energy: 1.273274043173549
Energy: 1.3692748811857554
Energy: 1.2732740431729863
Energy: 1.3692748811857554
Energy: 1.2732740431729863
Energy: 1.3482854605059116
Energy: 1.2598431697493269
Energy: 1.3482854605059116
Energy: 1.259843169748202
Energy: 1.348285460506474
Energy: 1.259843169748202
Energy: 1.282663177121675
Energy: 1.346973376967593
Energy: 1.282663177121675
Energy: 1.346973376967593
Energy: 1.2826631771211126
Energy: 1.3469733769653431
Energy: 1.3302562705426797
Energy: 1.2905011515414055
Energy: 1.3302562705415548
Energy: 1.2905011515414055
Energy: 1.3302562705404304
Energy: 1.2905011515414055
Energy: 1.2759251817772546
Energy: 1.3888188662330532
Energy: 1.2759251817783792
Energy: 1.388818866232491
Energy: 1.275925181777817
Energy: 1.3888188662330532
Energy: 1.2622627693721034
Energy: 1.3349282354111296
Energy: 1.2622627693721034
Energy: 1.3349282354111296
Energy: 1.262262769371541
Energy: 1.3349282354105672
Energy: 1.3454877334870745
Energy: 1.2812982274038898
Energy: 1.345487733487637
Energy: 1.2812982274038898
Energy: 1.3454877334859499
Energy: 1.2812982274038898
Energy: 1.3054804601538457
Energy: 1.27083339936093
Energy: 1.3054804601538457
Energy: 1.27083339936093
Energy: 1.3054804601532832
Energy: 1.27083339936093
Energy: 1.2769754853421649
Energy: 1.3619466691091016
Energy: 1.2769754853416024
Energy: 1.361946669108539
Energy: 1.2769754853416024
Energy: 1.3619466691096638

minimum gb energy = 1.259843169748202 eV
minimum distance =  2.32887224382539 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.3631799865387537
Energy: 1.5274649402519165
Energy: 1.3631799865387537
Energy: 1.5274649402519165
Energy: 1.3631799865387537
Energy: 1.5274649402519165
Energy: 1.3595083659228606
Energy: 1.479464283610602
Energy: 1.3595083659228606
Energy: 1.479464283610602
Energy: 1.3595083659228606
Energy: 1.4794642836086003
Energy: 1.490098877101857
Energy: 1.3735693639527853
Energy: 1.490098877101857
Energy: 1.3735693639527853
Energy: 1.490098877101857
Energy: 1.373569363953786
Energy: 1.354194509751898
Energy: 1.7511705541494886
Energy: 1.354194509751898
Energy: 1.751170554147487
Energy: 1.3541945097528987
Energy: 1.4731315690755011
Energy: 1.4900581230350998
Energy: 1.3735761803566602
Energy: 1.4900581230361005
Energy: 1.3735761803566602
Energy: 1.4900581230350998
Energy: 1.3735761803566602
Energy: 1.3594015404888138
Energy: 1.372711580225174
Energy: 1.3594015404888138
Energy: 1.372711580225174
Energy: 1.3594015404888138
Energy: 1.372711580225174
Energy: 1.3631799865377527
Energy: 1.527464940253918
Energy: 1.3631799865387537
Energy: 1.527464940253918
Energy: 1.3631799865377527
Energy: 1.527464940253918
Energy: 1.3595083659238614
Energy: 1.479464283610602
Energy: 1.3595083659238614
Energy: 1.479464283610602
Energy: 1.3595083659238614
Energy: 1.4794642836086003
Energy: 1.490098877101857
Energy: 1.3735693639527853
Energy: 1.490098877101857
Energy: 1.3735693639527853
Energy: 1.490098877101857
Energy: 1.3735693639517845
Energy: 1.354194509750897
Energy: 1.4598778596467292
Energy: 1.354194509750897
Energy: 1.4598778596477298
Energy: 1.354194509751898
Energy: 1.4598778596467292
Energy: 1.4900581230340986
Energy: 1.3735761803586617
Energy: 1.4900581230350998
Energy: 1.3735761803586617
Energy: 1.4900581230340986
Energy: 1.3735761803586617
Energy: 1.3594015404888138
Energy: 1.372711580225174
Energy: 1.3594015404888138
Energy: 1.372711580225174
Energy: 1.359401540487813
Energy: 1.3727115802241732
Energy: 1.3631799865387537
Energy: 1.5274649402519165
Energy: 1.3631799865387537
Energy: 1.5274649402519165
Energy: 1.3631799865387537
Energy: 1.5274649402519165
Energy: 1.3595083659228606
Energy: 1.4794642836116028
Energy: 1.3595083659228606
Energy: 1.4794642836116028
Energy: 1.3595083659228606
Energy: 1.4794642836096012
Energy: 1.490098877102858
Energy: 1.3735693639527853
Energy: 1.490098877101857
Energy: 1.3735693639527853
Energy: 1.490098877102858
Energy: 1.3735693639527853
Energy: 1.354194509751898
Energy: 1.4598778596447275
Energy: 1.3541945097528987
Energy: 1.4598778596447275
Energy: 1.354194509751898
Energy: 1.4598778596447275
Energy: 1.4900581230350998
Energy: 1.3735761803566602
Energy: 1.4900581230350998
Energy: 1.3735761803566602
Energy: 1.4900581230350998
Energy: 1.3735761803566602

minimum gb energy = 1.354194509750897 eV
minimum distance =  2.33465276899344 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.4828025056949814
Energy: 1.4273889158256519
Energy: 1.4828025056957985
Energy: 1.4273889158256519
Energy: 1.4828025056957985
Energy: 1.4273889158256519
Energy: 1.4349470989835658
Energy: 1.418252972625185
Energy: 1.4349470989852
Energy: 1.418252972626002
Energy: 1.4349470989843829
Energy: 1.418252972626002
Energy: 1.5401816309141743
Energy: 1.3882352127346342
Energy: 1.474633601679753
Energy: 1.3882352127346342
Energy: 1.474633601679753
Energy: 1.3882352127338171
Energy: 1.3625156462473746
Energy: 1.507917039058094
Energy: 1.3625156462473746
Energy: 1.507917039057277
Energy: 1.3625156462481918
Energy: 1.507917039057277
Energy: 1.4333533285963782
Energy: 1.386598219849822
Energy: 1.4333533285980125
Energy: 1.386598219849822
Energy: 1.433353328597195
Energy: 1.386598219849822
Energy: 1.4660925785466188
Energy: 1.3842504310585548
Energy: 1.4660925785466188
Energy: 1.3842504310585548
Energy: 1.4660925785466188
Energy: 1.3842504310585548
Energy: 1.3594331571479645
Energy: 1.472628449976611
Energy: 1.3594331571471474
Energy: 1.4726284499741595
Energy: 1.3594331571471474
Energy: 1.4726284499749767
Energy: 1.3553012150173789
Energy: 1.4639018415743794
Energy: 1.355301215016562
Energy: 1.4639018415743794
Energy: 1.3553012150173789
Energy: 1.4639018415743794
Energy: 1.5122463191977014
Energy: 1.3871168413185262
Energy: 1.512246319196884
Energy: 1.3871168413185262
Energy: 1.5122463191985185
Energy: 1.3871168413185262
Energy: 1.3624585502111648
Energy: 1.4542052360717732
Energy: 1.3624585502103477
Energy: 1.4542052360709559
Energy: 1.3624585502111648
Energy: 1.4542052360717732
Energy: 1.4251683631415692
Energy: 1.4364996578187643
Energy: 1.4251683631423864
Energy: 1.4364996578179472
Energy: 1.4251683631415692
Energy: 1.4364996578195814
Energy: 1.485856618591654
Energy: 1.3838408106916837
Energy: 1.4858566185892024
Energy: 1.3838408106916837
Energy: 1.4858566185892024
Energy: 1.3838408106916837
Energy: 1.356527986549433
Energy: 1.4926732213303304
Energy: 1.3565279865510673
Energy: 1.4926732213303304
Energy: 1.3565279865502502
Energy: 1.4926732213303304
Energy: 1.4303915498737074
Energy: 1.465095829268517
Energy: 1.4303915498737074
Energy: 1.465095829268517
Energy: 1.4303915498745245
Energy: 1.465095829268517
Energy: 1.5206843406833885
Energy: 1.3822390229103552
Energy: 1.5206843406842057
Energy: 1.3822390229103552
Energy: 1.5206843406842057
Energy: 1.3822390229103552
Energy: 1.4115758896205335
Energy: 1.4932918849977972
Energy: 1.4115758896213506
Energy: 1.4932918849945285
Energy: 1.4115758896205335
Energy: 1.493291884996163
Energy: 1.409224608704056
Energy: 1.503450011238841
Energy: 1.409224608704056
Energy: 1.5034500112306695
Energy: 1.4092246087048732
Energy: 1.5034500112306695
Energy: 1.614812065510208
Energy: 1.3842626127889683
Energy: 1.6148120655134768
Energy: 1.3842626127889683
Energy: 1.6148120655118425
Energy: 1.3842626127897855
Energy: 1.372012937251826
Energy: 1.473123554298165
Energy: 1.3720129372510088
Energy: 1.473123554298165
Energy: 1.372012937251826
Energy: 1.4731235542989822
Energy: 1.407740386975856
Energy: 1.4133649819986767
Energy: 1.407740386975039
Energy: 1.4133649819986767
Energy: 1.4077403869766731
Energy: 1.4133649819986767
Energy: 1.4819424737926248
Energy: 1.3882358448095553
Energy: 1.481942473794259
Energy: 1.3882358448095553
Energy: 1.481942473793442
Energy: 1.3882358448095553

minimum gb energy = 1.355301215016562 eV
minimum distance =  2.33495281321992 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.4128410254786918
Energy: 1.3943747942720397
Energy: 1.4128410254786918
Energy: 1.3943747942727285
Energy: 1.4128410254786918
Energy: 1.3943747942727285
Energy: 1.3681247552965963
Energy: 1.4031270992041762
Energy: 1.3681247552959075
Energy: 1.4031270992041762
Energy: 1.3681247552959075
Energy: 1.4031270992048652
Energy: 1.4555179059984473
Energy: 1.3768837513033305
Energy: 1.4555179059984473
Energy: 1.3768837513033305
Energy: 1.4555179059991363
Energy: 1.3768837513033305
Energy: 1.4311671354031035
Energy: 1.4588834807864037
Energy: 1.4311671354024147
Energy: 1.4588834807864037
Energy: 1.4311671354031035
Energy: 1.4588834807864037
Energy: 1.4031728412722613
Energy: 1.3749453064933386
Energy: 1.4031728412750164
Energy: 1.3749453064926498
Energy: 1.4031728412736388
Energy: 1.3749453064933386
Energy: 1.4012622378136932
Energy: 1.4050659675421897
Energy: 1.4012622378136932
Energy: 1.4050659675421897
Energy: 1.4012622378136932
Energy: 1.4050659675421897
Energy: 1.411565068908934
Energy: 1.3678116989341536
Energy: 1.411565068908934
Energy: 1.3678116989334645
Energy: 1.4115650689048014
Energy: 1.3678116989341536
Energy: 1.4575815016357563
Energy: 1.4540389991241887
Energy: 1.457581501640578
Energy: 1.4540389991248772
Energy: 1.4575815016316236
Energy: 1.4540389991248772
Energy: 1.3671089989810374
Energy: 1.4055193263525734
Energy: 1.3671089989775935
Energy: 1.4055193263518846
Energy: 1.3671089989796599
Energy: 1.4055193263532308
Energy: 1.4196037120178364
Energy: 1.3805926974792502
Energy: 1.4196037120171476
Energy: 1.3805926974792502
Energy: 1.4196037120178364
Energy: 1.3805926974792502
Energy: 1.4187948949891482
Energy: 1.3806873660342391
Energy: 1.4187948949884595
Energy: 1.3806873660342391
Energy: 1.4187948949891482
Energy: 1.3806873660342391
Energy: 1.3669139657407718
Energy: 1.4061067843569552
Energy: 1.3669139657407718
Energy: 1.4061067843562667
Energy: 1.3669139657407718
Energy: 1.4061067843569552
Energy: 1.4577110019098183
Energy: 1.4542877761072446
Energy: 1.4577110019070632
Energy: 1.4542877761024229
Energy: 1.4577110019098183
Energy: 1.454287776105178
Energy: 1.4115544127382316
Energy: 1.3680111788556029
Energy: 1.4115544127389206
Energy: 1.368011178854914
Energy: 1.4115544127382316
Energy: 1.3680111788556029
Energy: 1.3960685318472768
Energy: 1.4051160957455868
Energy: 1.3960685318479658
Energy: 1.4051160957442093
Energy: 1.3960685318472768
Energy: 1.405116095744898
Energy: 1.4031791170661467
Energy: 1.374877618357043
Energy: 1.4031791170668355
Energy: 1.3748776183577318
Energy: 1.4031791170661467
Energy: 1.3748776183577318
Energy: 1.431278794126356
Energy: 1.4590047184072248
Energy: 1.4312787941229435
Energy: 1.4590047184072248
Energy: 1.4312787941236322
Energy: 1.4590047184072248
Energy: 1.4555049177732462
Energy: 1.3770123336949578
Energy: 1.4555049177732462
Energy: 1.3770123336949578
Energy: 1.4555049177725572
Energy: 1.3770123336949578
Energy: 1.3679609026214223
Energy: 1.402253152401561
Energy: 1.3679609026200445
Energy: 1.4022531524008723
Energy: 1.367960902619356
Energy: 1.4022531524001831
Energy: 1.4128410254786918
Energy: 1.3943747942727285
Energy: 1.4128410254786918
Energy: 1.3943747942727285
Energy: 1.4128410254786918
Energy: 1.3943747942727285
Energy: 1.3681247552972853
Energy: 1.4031270992041762
Energy: 1.3681247552965963
Energy: 1.4031270992034877
Energy: 1.3681247552959075
Energy: 1.4031270992041762
Energy: 1.4555179059991363
Energy: 1.3768837513033305
Energy: 1.4555179059991363
Energy: 1.3768837513033305
Energy: 1.4555179059984473
Energy: 1.3768837513033305
Energy: 1.4311671354037923
Energy: 1.4588834807864037
Energy: 1.4311671354031035
Energy: 1.4588834807864037
Energy: 1.4311671354037923
Energy: 1.4588834807864037
Energy: 1.403172841275705
Energy: 1.3749453064926498
Energy: 1.4031728412750164
Energy: 1.3749453064926498
Energy: 1.403172841275705
Energy: 1.3749453064926498
Energy: 1.4012622378136932
Energy: 1.4050659675421897
Energy: 1.4012622378136932
Energy: 1.4050659675421897
Energy: 1.4012622378143818
Energy: 1.405065967541501

minimum gb energy = 1.3669139657407718 eV
minimum distance =  2.35072052999492 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.4049918290740449
Energy: 1.4346989815539335
Energy: 1.4049918290740449
Energy: 1.4346989815533389
Energy: 1.4049918290746395
Energy: 1.4346989815533389
Energy: 1.3717259348981456
Energy: 1.3644057376149317
Energy: 1.3717259348975512
Energy: 1.3644057376149317
Energy: 1.3717259348975512
Energy: 1.3644057376155263
Energy: 1.3996246624852586
Energy: 1.3494282978454264
Energy: 1.3996246624852586
Energy: 1.3494282978448318
Energy: 1.3996246624852586
Energy: 1.3494282978454264
Energy: 1.3568764260686483
Energy: 1.3780397149613857
Energy: 1.3568764260686483
Energy: 1.3780397149619803
Energy: 1.3568764260692159
Energy: 1.3780397149619803
Energy: 1.3621358462579332
Energy: 1.3927562147798496
Energy: 1.362135846256744
Energy: 1.3927562147798496
Energy: 1.3621358462573385
Energy: 1.3927562147798496
Energy: 1.3867781481938766
Energy: 1.3660561783059768
Energy: 1.386778148193282
Energy: 1.3660561783053822
Energy: 1.3867781481938766
Energy: 1.3660561783053822
Energy: 1.3486580883636072
Energy: 1.3709298960326857
Energy: 1.3486580883636072
Energy: 1.370929896032091
Energy: 1.3486580883642016
Energy: 1.370929896032091
Energy: 1.3602021896784333
Energy: 1.381213027744415
Energy: 1.3602021896784333
Energy: 1.3812130277450094
Energy: 1.3602021896778387
Energy: 1.3812130277450094
Energy: 1.4336088011602617
Energy: 1.352708811844131
Energy: 1.4336088011608563
Energy: 1.3527088118435364
Energy: 1.43360880116264
Energy: 1.352708811844131
Energy: 1.3692792754174379
Energy: 1.381752744165141
Energy: 1.3692792754174379
Energy: 1.381752744165141
Energy: 1.3692792754174379
Energy: 1.381752744165141
Energy: 1.3551517360042369
Energy: 1.4212890846148396
Energy: 1.3551517360048313
Energy: 1.4212890846136506
Energy: 1.3551517360048313
Energy: 1.4212890846142452
Energy: 1.403078660732809
Energy: 1.3554598400921902
Energy: 1.403078660732809
Energy: 1.3554598400927846
Energy: 1.4030786607322143
Energy: 1.3554598400927846
Energy: 1.3546341225324088
Energy: 1.375705528985362
Energy: 1.3546341225330034
Energy: 1.375705528985362
Energy: 1.3546341225324088
Energy: 1.3757055289859565
Energy: 1.3528825495592725
Energy: 1.3705750356349409
Energy: 1.3528825495592725
Energy: 1.3705750356349409
Energy: 1.3528825495592725
Energy: 1.3705750356349409
Energy: 1.4168707961308855
Energy: 1.3493823856168259
Energy: 1.4168707961314801
Energy: 1.3493823856162315
Energy: 1.4168707961308855
Energy: 1.3493823856174203
Energy: 1.3957857534664055
Energy: 1.3463287710265264
Energy: 1.3957857534664055
Energy: 1.3463287710271208
Energy: 1.395785753465811
Energy: 1.3463287710265264
Energy: 1.3586045889821634
Energy: 1.3865917626573858
Energy: 1.3586045889827578
Energy: 1.3865917626579802
Energy: 1.3586045889827578
Energy: 1.3865917626567912
Energy: 1.4106870307311365
Energy: 1.371806023069566
Energy: 1.4106870307311365
Energy: 1.3718060230689715
Energy: 1.4106870307311365
Energy: 1.3718060230689715
Energy: 1.3949017621790125
Energy: 1.3697727481145452
Energy: 1.3949017621790125
Energy: 1.3697727481145452
Energy: 1.3949017621796072
Energy: 1.3697727481145452
Energy: 1.3546401883458161
Energy: 1.3948904372196675
Energy: 1.3546401883458161
Energy: 1.3948904372196675
Energy: 1.3546401883458161
Energy: 1.394890437219073
Energy: 1.3460000173906892
Energy: 1.4024833011942384
Energy: 1.3460000173906892
Energy: 1.4024833011942384
Energy: 1.3460000173906892
Energy: 1.4024833011942384
Energy: 1.439764755689372
Energy: 1.3420204659392627
Energy: 1.4397647556887774
Energy: 1.3420204659392627
Energy: 1.4397647556875883
Energy: 1.3420204659392627
Energy: 1.3907302176942538
Energy: 1.3734881397642065
Energy: 1.3907302176948486
Energy: 1.3734881397642065
Energy: 1.3907302176948486
Energy: 1.3734881397642065
Energy: 1.3870759309894607
Energy: 1.3644597617119605
Energy: 1.3870759309882716
Energy: 1.3644597617077987
Energy: 1.3870759309882716
Energy: 1.3644597617119605
Energy: 1.363971678904599
Energy: 1.3540866157976705
Energy: 1.3639716789051934
Energy: 1.354086615797076
Energy: 1.3639716789051934
Energy: 1.354086615796481
Energy: 1.3707248623174586
Energy: 1.372619334379494
Energy: 1.370724862316864
Energy: 1.3726193343800885
Energy: 1.370724862316864
Energy: 1.3726193343806832
Energy: 1.348376354159261
Energy: 1.3986554415108914
Energy: 1.3483763541533154
Energy: 1.398655441511486
Energy: 1.3483763541533154
Energy: 1.398655441510297
Energy: 1.3900287529978608
Energy: 1.3672903257178912
Energy: 1.390028752996672
Energy: 1.3672903257178912
Energy: 1.3900287529996447
Energy: 1.3672903257184856
Energy: 1.3327885110912259
Energy: 1.3749002250019047
Energy: 1.3327885110912259
Energy: 1.3749002250019047
Energy: 1.3327885110900368
Energy: 1.3749002250019047

minimum gb energy = 1.3327885110900368 eV
minimum distance =  2.30056345515719 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.4069769930438532
Energy: 1.3542648547426916
Energy: 1.4069769930433305
Energy: 1.3542648547426916
Energy: 1.4069769930433305
Energy: 1.3542648547432141
Energy: 1.35386963522149
Energy: 1.3170698700982668
Energy: 1.35386963522149
Energy: 1.3156229961025692
Energy: 1.3538696352220128
Energy: 1.3156229961025692
Energy: 1.3312447227469453
Energy: 1.329175695906159
Energy: 1.3312447227474677
Energy: 1.329175695906159
Energy: 1.3312447227474677
Energy: 1.329175695906159
Energy: 1.2982826729908215
Energy: 1.35426423474177
Energy: 1.2982826729918668
Energy: 1.3330374714586652
Energy: 1.298282672991344
Energy: 1.3330374714586652
Energy: 1.315446341361965
Energy: 1.3361258810582082
Energy: 1.3154463413630102
Energy: 1.3361258810576855
Energy: 1.3154463413630102
Energy: 1.3361258810576855
Energy: 1.3093414178457994
Energy: 1.3289713669108256
Energy: 1.3093414178457994
Energy: 1.3289713669108256
Energy: 1.3093414178457994
Energy: 1.3289713669108256
Energy: 1.3149797417618876
Energy: 1.3378070728348246
Energy: 1.3149797417618876
Energy: 1.337807072834302
Energy: 1.314979741762933
Energy: 1.3378070728353475
Energy: 1.3057641318866493
Energy: 1.418995604573633
Energy: 1.3057641318850814
Energy: 1.4635101973437228
Energy: 1.305764131885604
Energy: 1.338613145449712
Energy: 1.3111588221083763
Energy: 1.3251994325188634
Energy: 1.3111588221083763
Energy: 1.3251994325183407
Energy: 1.3111588221083763
Energy: 1.3251994325183407
Energy: 1.325125883294088
Energy: 1.410867754208273
Energy: 1.3251258832930428
Energy: 1.4108677542056598
Energy: 1.3251258832935653
Energy: 1.3348787065898708
Energy: 1.3090561515024528
Energy: 1.490828567266418
Energy: 1.3090561515019303
Energy: 1.490828567266418
Energy: 1.3090561515014076
Energy: 1.4908285672648498
Energy: 1.371124465962536
Energy: 1.3216133614776697
Energy: 1.371124465960968
Energy: 1.3216133614771473
Energy: 1.3711244659620132
Energy: 1.3159556952094875
Energy: 1.297929173826055
Energy: 1.3278240026129318
Energy: 1.297929173826055
Energy: 1.3278240026129318
Energy: 1.297929173826055
Energy: 1.3278240026129318
Energy: 1.3360401804285582
Energy: 1.3611801709411808
Energy: 1.3360401804285582
Energy: 1.3611801709411808
Energy: 1.3360401804296036
Energy: 1.4158215918840849
Energy: 1.330379381545104
Energy: 1.3342568535251276
Energy: 1.330379381544581
Energy: 1.3342568535199013
Energy: 1.3303793815456264
Energy: 1.3342568535204238
Energy: 1.3305497107138815
Energy: 1.3336314602926298
Energy: 1.3305497107138815
Energy: 1.333631460292107
Energy: 1.3305497107138815
Energy: 1.333631460292107
Energy: 1.3032678526876638
Energy: 1.3555536529929766
Energy: 1.3032678526876638
Energy: 1.355553652992454
Energy: 1.303267852687141
Energy: 1.3555536529919312
Energy: 1.3037874957981612
Energy: 1.338169228722
Energy: 1.3037874957971158
Energy: 1.3381692287214773
Energy: 1.3037874957971158
Energy: 1.3381692287214773
Energy: 1.3092132484648065
Energy: 1.3253507335272574
Energy: 1.3092132484642836
Energy: 1.3253507335272574
Energy: 1.309213248463761
Energy: 1.3253507335272574
Energy: 1.327351485093882
Energy: 1.3261030822363071
Energy: 1.327351485094927
Energy: 1.3261030822352617
Energy: 1.3273514850933594
Energy: 1.3261030822357844
Energy: 1.306118578451003
Energy: 1.4653588127714043
Energy: 1.3061185784504803
Energy: 1.465358812771927
Energy: 1.306118578451003
Energy: 1.4653588127724497
Energy: 1.3764435615731945
Energy: 1.3213682203300552
Energy: 1.3764435615737172
Energy: 1.3213682203300552
Energy: 1.3764435615737172
Energy: 1.3213682203300552
Energy: 1.3777693341666766
Energy: 1.326710324138344
Energy: 1.3777693341666766
Energy: 1.326710324138344
Energy: 1.3777693341666766
Energy: 1.326710324138344
Energy: 1.2986321890102244
Energy: 1.3650484476411968
Energy: 1.2986321890112695
Energy: 1.3650484476375384
Energy: 1.298632189010747
Energy: 1.3650484476385836
Energy: 1.3560013065809444
Energy: 1.3333658395089374
Energy: 1.3560013065819898
Energy: 1.3333658395089374
Energy: 1.3560013065809444
Energy: 1.3333658395089374
Energy: 1.296676532884424
Energy: 1.327665199571872
Energy: 1.296676532884424
Energy: 1.327665199571872
Energy: 1.2966765328839014
Energy: 1.3276651995723945
Energy: 1.338161027228168
Energy: 1.3590486572085523
Energy: 1.3381610272271227
Energy: 1.3590486572085523
Energy: 1.3381610272271227
Energy: 1.359048657209075
Energy: 1.3368973694330968
Energy: 1.3343628190605277
Energy: 1.3368973694325739
Energy: 1.3343628190605277
Energy: 1.3368973694330968
Energy: 1.3343628190610504
Energy: 1.43610420225278
Energy: 1.3253863374554364
Energy: 1.4361042022522572
Energy: 1.3253863374554364
Energy: 1.4361042022517345
Energy: 1.3253863374549137
Energy: 1.3030408107896898
Energy: 1.326160150885737
Energy: 1.3030408107886444
Energy: 1.326160150885214
Energy: 1.3030408107886444
Energy: 1.326160150885214
Energy: 1.305611777007511
Energy: 1.3180424615885395
Energy: 1.3056117770069886
Energy: 1.3180424615890622
Energy: 1.3056117770064657
Energy: 1.3180424615890622
Energy: 1.3764579403405353
Energy: 1.3209929965951515
Energy: 1.3764579403400128
Energy: 1.3209929965956742
Energy: 1.3764579403405353
Energy: 1.3209929965946288
Energy: 1.3723369814781627
Energy: 1.3251240373678632
Energy: 1.3723369814781627
Energy: 1.3251240373678632
Energy: 1.3723369814786854
Energy: 1.3251240373678632

minimum gb energy = 1.2966765328839014 eV
minimum distance =  2.31227173446463 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014044976916094049
Energy: 0.8402585253548556
Energy: 0.014044976916094049
Energy: 0.8402585253561343
Energy: 0.014044976916094049
Energy: 0.84025852535529
Energy: 0.014627640697091434
Energy: 0.21820757684345546
Energy: 0.014627640697091434
Energy: 0.21820757684217684
Energy: 0.014627640697091434
Energy: 0.21820757684302125
Energy: 2.2197608847770476
Energy: 0.21773794662159074
Energy: 0.8405362545577034
Energy: 0.21773773519642653
Energy: 0.8405367133253623
Energy: 0.21773884870921034
Energy: 0.014627640697959928
Energy: 0.21820757684302125
Energy: 0.014627640697525682
Energy: 0.2182075768426111
Energy: 0.014627640697525682
Energy: 0.2182075768426111

minimum gb energy = 0.014044976916094049 eV
minimum distance =  2.55204874210628 Angstroms
sigma value = 1