Model name: model_name=EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5162327885627747
cohesive_energy=4.87669557134166
mass=58.6934
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: 0.019937679565534383
Energy: 1.3956417773924512
Energy: 0.019937679564576795
Energy: 1.3956417773921197
Energy: 0.019937679565202912
Energy: 1.3956417773917884
Energy: 1.3956417773927827
Energy: 0.019944966089629777
Energy: 1.3956417773927827
Energy: 0.01994496608996125
Energy: 1.3956417773924512
Energy: 0.01994496608996125
Energy: 0.019937679564576795
Energy: 1.3956417773924512
Energy: 0.019937679563913846
Energy: 1.3956417773921197
Energy: 0.019937679564576795
Energy: 1.3956417773924512
Energy: 1.3956417773921197
Energy: 0.019944966089298303
Energy: 1.3956417773921197
Energy: 0.019944966089629777
Energy: 1.3956417773924512
Energy: 0.019944966089629777
Energy: 0.019937679565202912
Energy: 1.3956417773921197
Energy: 0.019937679564576795
Energy: 1.3956417773921197
Energy: 0.019937679565202912
Energy: 1.3956417773921197
Energy: 1.3956417773921197
Energy: 0.01994496608996125
Energy: 1.3956417773917884
Energy: 0.019944966090255895
Energy: 1.3956417773921197
Energy: 0.019944966089629777

minimum gb energy = 0.019937679563913846 eV
minimum distance =  2.48462177567143 Angstroms
sigma value = 1


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

Energy: 1.5038975907046217
Energy: 1.3883687093573949
Energy: 1.503897590703824
Energy: 1.388368709356597
Energy: 1.5038975907046217
Energy: 1.388368709358193
Energy: 1.636828643840363
Energy: 1.273030995710741
Energy: 1.636828643837969
Energy: 1.273030995710741
Energy: 1.6368286438419588
Energy: 1.2730309957099433
Energy: 1.3959155937941703
Energy: 1.4758887963510736
Energy: 1.3959155937925745
Energy: 1.47588879636384
Energy: 1.3959155937909786
Energy: 1.475888796356659
Energy: 1.6045233959596985
Energy: 1.3554795904796393
Energy: 1.6045233959644858
Energy: 1.3554795904796393
Energy: 1.6045233959620921
Energy: 1.3554795904796393
Energy: 1.420939582998117
Energy: 1.5616050357836537
Energy: 1.42093958298934
Energy: 1.561605035782856
Energy: 1.420939582990138
Energy: 1.5616050357836537
Energy: 1.4989508705839139
Energy: 1.314537620245579
Energy: 1.4989508705823178
Energy: 1.314537620243983
Energy: 1.4989508705831156
Energy: 1.3145376202479726
Energy: 1.3444233570523165
Energy: 1.4730394814481385
Energy: 1.3444233570579018
Energy: 1.473039481452128
Energy: 1.3444233570476016
Energy: 1.4730394814401595
Energy: 1.3450129948345881
Energy: 1.5896774945803405
Energy: 1.3450129948393756
Energy: 1.58967749458433
Energy: 1.3450129948393756
Energy: 1.5896774945859258
Energy: 1.5323640438583768
Energy: 1.482843333889775
Energy: 1.5323640438575787
Energy: 1.482843333889775
Energy: 1.532364043863164
Energy: 1.482843333889775
Energy: 1.2664642720503847
Energy: 1.5677540742277725
Energy: 1.266464272049587
Energy: 1.5677540742221872
Energy: 1.2664642720519805
Energy: 1.5677540742373473
Energy: 1.4728432950791062
Energy: 1.3141626715918193
Energy: 1.4728432950783084
Energy: 1.3141626715926171
Energy: 1.472843295071925
Energy: 1.3141626715918193
Energy: 1.2194779097117028
Energy: 1.525684514951161
Energy: 1.2194779097109048
Energy: 1.5256844518463388
Energy: 1.2194779097117028
Energy: 1.5256842673603108
Energy: 1.6588745617545542
Energy: 1.1971624093623137
Energy: 1.6588745617537568
Energy: 1.1971624093615159
Energy: 1.6588745617609377
Energy: 1.1971624093623137
Energy: 1.341039636840907
Energy: 1.3684247185361282
Energy: 1.341039636840907
Energy: 1.3684247185361282
Energy: 1.341039636841705
Energy: 1.3684247185377238
Energy: 1.6750609566678778
Energy: 1.268209645912266
Energy: 1.6750609566758567
Energy: 1.2682096459138619
Energy: 1.6750609566758567
Energy: 1.2682096459146595
Energy: 1.6777170181268883
Energy: 1.4885418713117664
Energy: 1.6777170181268883
Energy: 1.488541871308575
Energy: 1.6777170181252923
Energy: 1.4885418712990726
Energy: 1.454391142904585
Energy: 1.4358517679637826
Energy: 1.454391142897404
Energy: 1.4358517679645806
Energy: 1.4543911428918186
Energy: 1.435851767960591
Energy: 1.4545620814698756
Energy: 1.3686287481407282
Energy: 1.45456208146828
Energy: 1.368628748135143
Energy: 1.4545620814754612
Energy: 1.3686287481311534
Energy: 1.4262937052945384
Energy: 1.3541745070075923
Energy: 1.426293705296134
Energy: 1.3541745070028048
Energy: 1.4262937052976574
Energy: 1.3541745070083904
Energy: 1.4969815064604992
Energy: 1.314374145949702
Energy: 1.496981506469276
Energy: 1.3143741459520957
Energy: 1.4969815064573075
Energy: 1.3143741459520957
Energy: 1.2914339784292692
Energy: 1.5722735744435294
Energy: 1.2914339784308648
Energy: 1.5722735739123475
Energy: 1.2914339784308648
Energy: 1.5722735723108952
Energy: 1.494083374097855
Energy: 1.4754951933025418
Energy: 1.4940833740994508
Energy: 1.4754951933025418
Energy: 1.4940833741026425
Energy: 1.4754951933025418
Energy: 1.2543939361326735
Energy: 1.5905715912359193
Energy: 1.2543939361350671
Energy: 1.5905715912383127
Energy: 1.2543939361334717
Energy: 1.5905715912351213

minimum gb energy = 1.1971624093615159 eV
minimum distance =  2.22830812761187 Angstroms
sigma value = 33


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

Energy: 1.5110637786280763
Energy: 1.5714018964612773
Energy: 1.511063778628984
Energy: 1.571401896459462
Energy: 1.5110637786280763
Energy: 1.5714018964494776
Energy: 1.4990647810477236
Energy: 1.3768643991422918
Energy: 1.499064781046816
Energy: 1.3768643991422918
Energy: 1.4990647810463622
Energy: 1.3768643991409302
Energy: 1.2172125070969635
Energy: 1.374921655944822
Energy: 1.2172125070951478
Energy: 1.3749216559294328
Energy: 1.2172125070974171
Energy: 1.3749216559706912
Energy: 1.5233997254522382
Energy: 1.603825832057598
Energy: 1.523399725450423
Energy: 1.603825832058052
Energy: 1.5233997254517844
Energy: 1.603825832058052
Energy: 1.376670107523627
Energy: 1.4595029893642815
Energy: 1.3766701075163654
Energy: 1.45950298934522
Energy: 1.3766701075145502
Energy: 1.4595029893556584
Energy: 1.374877223401471
Energy: 1.2173078642802806
Energy: 1.3748772234023787
Energy: 1.2173078642834578
Energy: 1.3748772234060096
Energy: 1.2173078642789192
Energy: 1.5716155651139512
Energy: 1.5115014349942852
Energy: 1.5716155651456787
Energy: 1.5115014350010931
Energy: 1.5716155651461325
Energy: 1.5115014350033622
Energy: 1.2057794477334616
Energy: 1.5120593372435598
Energy: 1.2057794477343693
Energy: 1.5120593372458286
Energy: 1.2057794477275616
Energy: 1.512059337248098
Energy: 1.299152861720559
Energy: 1.2208341775805889
Energy: 1.2991528617241899
Energy: 1.2208341775814968
Energy: 1.2991528617219206
Energy: 1.2208341775814968
Energy: 1.1783870901590825
Energy: 1.541245825846635
Energy: 1.1783870901604439
Energy: 1.5412458258548043
Energy: 1.1783870901618052
Energy: 1.5412458258393735
Energy: 1.5414628891127564
Energy: 1.1824824247266843
Energy: 1.5414628891123023
Energy: 1.1824824247257766
Energy: 1.5414628891123023
Energy: 1.1824824247253225
Energy: 1.2172976818687953
Energy: 1.2961707629855423
Energy: 1.217297681864257
Energy: 1.2961707629859962
Energy: 1.2172976818692491
Energy: 1.2961707629859962
Energy: 1.51277094120427
Energy: 1.2046908458959495
Energy: 1.5127709412029087
Energy: 1.2046908458936803
Energy: 1.512770941207901
Energy: 1.2046908458932266
Energy: 1.5232992450048723
Energy: 1.5761495822899398
Energy: 1.523299245006234
Energy: 1.5761495822967475
Energy: 1.5232992450048723
Energy: 1.5761495822876708
Energy: 1.3979942629151472
Energy: 1.374819193941537
Energy: 1.3979942629246778
Energy: 1.3748191939410832
Energy: 1.3979942629110624
Energy: 1.374819193941537
Energy: 1.217002114122523
Energy: 1.3753397496994058
Energy: 1.2170021141234306
Energy: 1.3753397496925983
Energy: 1.2170021141229765
Energy: 1.3753397496894624
Energy: 1.6028846968929953
Energy: 1.528263581935876
Energy: 1.6028846968952644
Energy: 1.5282635819363302
Energy: 1.602884696896172
Energy: 1.5282635819372377
Energy: 1.3749443901738618
Energy: 1.2169759351002254
Energy: 1.3749443901788538
Energy: 1.2169759351047635
Energy: 1.3749443901743157
Energy: 1.2169759351047635
Energy: 1.3767178736645804
Energy: 1.3978108371573432
Energy: 1.3767178736591343
Energy: 1.39781083714872
Energy: 1.3767178736659422
Energy: 1.3978108371550737
Energy: 1.5734875968824065
Energy: 1.5143267955655608
Energy: 1.5734875968824065
Energy: 1.514326795565107
Energy: 1.573487596880137
Energy: 1.514326795565107
Energy: 1.2033739152667902
Energy: 1.6681713359560002
Energy: 1.203373915262252
Energy: 1.6681713359605388
Energy: 1.2033739152663365
Energy: 1.6681713359474188
Energy: 1.37474487260126
Energy: 1.220988326974897
Energy: 1.3747448726044371
Energy: 1.2209883269739892
Energy: 1.3747448726157832
Energy: 1.220988326974897
Energy: 1.1787344925242127
Energy: 1.5412975278988303
Energy: 1.1787344925233048
Energy: 1.5412975277423377
Energy: 1.1787344925219434
Energy: 1.5412975269802147
Energy: 1.5411009531700066
Energy: 1.3754557039379305
Energy: 1.5411009531473145
Energy: 1.375455703938797
Energy: 1.5411009531586606
Energy: 1.3754557039406123
Energy: 1.2174205651677816
Energy: 1.2962468290424372
Energy: 1.2174205651695968
Energy: 1.2962468290415292
Energy: 1.2174205651664198
Energy: 1.2962468290410754
Energy: 1.5117934801898336
Energy: 1.5480077094677784
Energy: 1.5117934801998183
Energy: 1.5480077094709555
Energy: 1.5117934801939183
Energy: 1.5480077094872937
Energy: 1.511800371259337
Energy: 1.547976385790126
Energy: 1.5118003712475374
Energy: 1.5479763858123232
Energy: 1.5118003712543449
Energy: 1.547976385810054
Energy: 1.217418359594563
Energy: 1.2965409719293315
Energy: 1.2174183595936552
Energy: 1.296540971931147
Energy: 1.2174183595959245
Energy: 1.2965409719297853
Energy: 1.54120366176634
Energy: 1.3754898143610357
Energy: 1.5412036617717861
Energy: 1.3754898143614898
Energy: 1.5412036617940243
Energy: 1.3754898143642125
Energy: 1.1787409855866435
Energy: 1.5410605492813216
Energy: 1.1787409855880049
Energy: 1.5410605490440865
Energy: 1.1787409855898203
Energy: 1.5410605475674937
Energy: 1.3746709218296467
Energy: 1.2209862919148637
Energy: 1.374670921831008
Energy: 1.220986291913956
Energy: 1.3746709218260158
Energy: 1.2209862919144097
Energy: 1.203379967760309
Energy: 1.667744341861278
Energy: 1.2033799677594013
Energy: 1.6677443418585554
Energy: 1.2033799677612165
Energy: 1.667744341856286
Energy: 1.573261455294263
Energy: 1.5143771324387338
Energy: 1.573261455294263
Energy: 1.5143771324382798
Energy: 1.5732614552879092
Energy: 1.5143771324387338
Energy: 1.3767257632960792
Energy: 1.3979578269234363
Energy: 1.3767257632965326
Energy: 1.3979578269247979
Energy: 1.3767257632992558
Energy: 1.3979578269148134
Energy: 1.3750565303722981
Energy: 1.216982364931654
Energy: 1.3750565303632214
Energy: 1.2169823649302924
Energy: 1.3750565303695752
Energy: 1.2169823649275693
Energy: 1.6028366170992636
Energy: 1.5283881702892732
Energy: 1.6028366170997175
Energy: 1.5283881702910884
Energy: 1.6028366170988098
Energy: 1.5283881702910884
Energy: 1.2169880705804763
Energy: 1.3752766547414768
Energy: 1.216988070578207
Energy: 1.3752766547464692
Energy: 1.216988070578661
Energy: 1.3752766547419306
Energy: 1.3983026970240446
Energy: 1.3748008871613613
Energy: 1.3983026970303984
Energy: 1.3748008871554616
Energy: 1.3983026970308523
Energy: 1.3748008871604538
Energy: 1.5232940992602992
Energy: 1.5763507140965356
Energy: 1.5232940992602992
Energy: 1.5763507140960815
Energy: 1.5232940992593913
Energy: 1.5763507140956279
Energy: 1.5127183154768769
Energy: 1.204696787989933
Energy: 1.5127183154668924
Energy: 1.2046967879890254
Energy: 1.5127183154510493
Energy: 1.2046967879890254
Energy: 1.2172916101727222
Energy: 1.2961814123246609
Energy: 1.217291610169999
Energy: 1.2961814123242072
Energy: 1.2172916101695455
Energy: 1.296181412325115

minimum gb energy = 1.1783870901590825 eV
minimum distance =  2.34031976198384 Angstroms
sigma value = 51


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

Energy: 1.4723718359454805
Energy: 1.4852096590923625
Energy: 1.4723718359444289
Energy: 1.4852096590923625
Energy: 1.4723718359444289
Energy: 1.4852096590923625
Energy: 1.570039407961712
Energy: 1.364173393088781
Energy: 1.5700394079669697
Energy: 1.364173393088781
Energy: 1.5700394079648665
Energy: 1.364173393088781
Energy: 1.32634046854395
Energy: 1.461221759215524
Energy: 1.3263404685460531
Energy: 1.461221759215524
Energy: 1.3263404685471045
Energy: 1.4612217591850298
Energy: 1.4618470292600423
Energy: 1.2359462248065682
Energy: 1.4618470292631969
Energy: 1.2359462248055169
Energy: 1.4618470292631969
Energy: 1.2359462248065682
Energy: 1.4705864403081605
Energy: 1.4183342249274111
Energy: 1.4705864403081605
Energy: 1.4183342249253081
Energy: 1.4705864403060573
Energy: 1.4183342249263597
Energy: 1.4697010082012054
Energy: 1.4180427522030656
Energy: 1.4697010081875357
Energy: 1.4180427522072718
Energy: 1.4697010081980508
Energy: 1.4180427521999113
Energy: 1.3716339402584148
Energy: 1.4179472161560622
Energy: 1.3716339402584148
Energy: 1.4179472161571136
Energy: 1.3716339402605178
Energy: 1.4179472161550106
Energy: 1.3373646263392442
Energy: 1.4187382073135433
Energy: 1.3373646263413475
Energy: 1.418738207314595
Energy: 1.3373646263413475
Energy: 1.4187382073135433
Energy: 1.6560747465101717
Energy: 1.23143539031326
Energy: 1.65607474650912
Energy: 1.23143539031326
Energy: 1.6560747465038623
Energy: 1.23143539031326
Energy: 1.2713230641316429
Energy: 1.657362556346281
Energy: 1.2713230641305913
Energy: 1.6573625563473326
Energy: 1.2713230641305913
Energy: 1.6573625563473326
Energy: 1.5315420555890258
Energy: 1.2476575534877157
Energy: 1.5315420555890258
Energy: 1.247657553486664
Energy: 1.531542055591129
Energy: 1.247657553486664
Energy: 1.4747121490789616
Energy: 1.487610209290863
Energy: 1.4747121490789616
Energy: 1.4876102092898116
Energy: 1.47471214907791
Energy: 1.4876102092898116
Energy: 1.689896520329498
Energy: 1.3649782487340179
Energy: 1.6898965203231888
Energy: 1.3649782487340179
Energy: 1.6898965203231888
Energy: 1.3649782487340179
Energy: 1.3921365784714634
Energy: 1.3701517743977427
Energy: 1.3921365784714634
Energy: 1.3701517743956877
Energy: 1.3921365784672575
Energy: 1.3701517743977427
Energy: 1.4479876325125702
Energy: 1.4849498008880637
Energy: 1.4479876325136218
Energy: 1.4849498008880637
Energy: 1.4479876325146734
Energy: 1.4849498008880637
Energy: 1.4698825575275534
Energy: 1.4180220301745925
Energy: 1.4698825575275534
Energy: 1.418022030177747
Energy: 1.4698825575275534
Energy: 1.418022030178799
Energy: 1.4710951521079725
Energy: 1.550461388481161
Energy: 1.471095152102715
Energy: 1.5504613884801095
Energy: 1.4710951521058695
Energy: 1.5504613884769547
Energy: 1.437024608772283
Energy: 1.4235319039978906
Energy: 1.4370246087712317
Energy: 1.423531903996839
Energy: 1.4370246087701801
Energy: 1.423531903996839

minimum gb energy = 1.23143539031326 eV
minimum distance =  2.22474281699137 Angstroms
sigma value = 19


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

Energy: 1.2083646342187515
Energy: 1.1979140490264475
Energy: 1.2083646342181276
Energy: 1.1979140490270714
Energy: 1.2083646342193752
Energy: 1.1979140490264475
Energy: 1.3333198231156684
Energy: 1.481048927910017
Energy: 1.333319823109431
Energy: 1.4810489279106407
Energy: 1.333319823103817
Energy: 1.4810489279106407
Energy: 1.128533198931121
Energy: 1.4784147560698302
Energy: 1.1285331989267546
Energy: 1.4784147560636494
Energy: 1.1285331989230123
Energy: 1.4784147560723249
Energy: 1.2700738968257477
Energy: 1.128785745233756
Energy: 1.2700738968245
Energy: 1.12878574523438
Energy: 1.2700738968257477
Energy: 1.1287857452356274
Energy: 1.1779294967594878
Energy: 1.2055669102297357
Energy: 1.1779294967594878
Energy: 1.2055669102297357
Energy: 1.1779294967607352
Energy: 1.2055669102297357
Energy: 1.1778212586961838
Energy: 1.205565691266783
Energy: 1.1778212586949364
Energy: 1.205565691266783
Energy: 1.17782125869556
Energy: 1.205565691266783
Energy: 1.2700976762477052
Energy: 1.128775947269576
Energy: 1.2700976762489529
Energy: 1.128775947269576
Energy: 1.2700976762477052
Energy: 1.128775947269576
Energy: 1.1285354836391233
Energy: 1.4783738903585673
Energy: 1.1285354836366284
Energy: 1.4783738903529537
Energy: 1.1285354836328858
Energy: 1.4783738903498351
Energy: 1.4141918864847678
Energy: 1.480802824317886
Energy: 1.4141918864760352
Energy: 1.480802824317886
Energy: 1.4141918864891339
Energy: 1.4808028243185094
Energy: 1.2083646342187515
Energy: 1.1979140490270714
Energy: 1.2083646342181276
Energy: 1.1979140490252
Energy: 1.2083646342181276
Energy: 1.1979140490252
Energy: 1.3333198231113021
Energy: 1.481048927910017
Energy: 1.3333198231081833
Energy: 1.4810489279106407
Energy: 1.333319823106936
Energy: 1.4810489279112644
Energy: 1.1285331989298737
Energy: 1.4784147560710776
Energy: 1.1285331989273784
Energy: 1.4784147560636494
Energy: 1.1285331989255074
Energy: 1.4784147560655203
Energy: 1.2700738968263714
Energy: 1.1287857452325085
Energy: 1.27007389682949
Energy: 1.12878574523438
Energy: 1.2700738968263714
Energy: 1.1287857452350036
Energy: 1.1779294967576166
Energy: 1.2055669102297357
Energy: 1.1779294967557452
Energy: 1.2055669102291122
Energy: 1.1779294967626064
Energy: 1.2055669102297357
Energy: 1.1778212586918178
Energy: 1.205565691266783
Energy: 1.177821258693689
Energy: 1.205565691266159
Energy: 1.1778212586993027
Energy: 1.2055656912674062
Energy: 1.2700976762495766
Energy: 1.1287759472689523
Energy: 1.270097676250824
Energy: 1.128775947269576
Energy: 1.2700976762420917
Energy: 1.1287759472701997
Energy: 1.1285354836341333
Energy: 1.4783738903585673
Energy: 1.1285354836378756
Energy: 1.478373890354201
Energy: 1.1285354836360044
Energy: 1.4783738903473398
Energy: 1.4141918864847678
Energy: 1.480802824317886
Energy: 1.4141918864822727
Energy: 1.480802824317886
Energy: 1.4141918864853913
Energy: 1.480802824317262
Energy: 1.2083646342187515
Energy: 1.1979140490239524
Energy: 1.2083646342181276
Energy: 1.1979140490270714
Energy: 1.208364634219999
Energy: 1.1979140490258238
Energy: 1.3333198231100547
Energy: 1.4810489279093932
Energy: 1.3333198231056886
Energy: 1.4810489279106407
Energy: 1.3333198231006984
Energy: 1.4810489279112644
Energy: 1.128533198928626
Energy: 1.4784147560735723
Energy: 1.1285331989273784
Energy: 1.4784147560636494
Energy: 1.1285331989273784
Energy: 1.4784147560710776
Energy: 1.2700738968313612
Energy: 1.1287857452374985
Energy: 1.2700738968288663
Energy: 1.1287857452356274
Energy: 1.2700738968257477
Energy: 1.1287857452331325
Energy: 1.17792949675824
Energy: 1.2055669102303594
Energy: 1.17792949675824
Energy: 1.2055669102297357
Energy: 1.177929496756369
Energy: 1.2055669102297357
Energy: 1.1778212586961838
Energy: 1.205565691266783
Energy: 1.1778212586961838
Energy: 1.205565691266783
Energy: 1.1778212586930652
Energy: 1.205565691266783
Energy: 1.2700976762439629
Energy: 1.1287759472677048
Energy: 1.270097676240844
Energy: 1.1287759472683283
Energy: 1.2700976762383491
Energy: 1.1287759472677048
Energy: 1.1285354836366284
Energy: 1.4783738903535775
Energy: 1.1285354836360044
Energy: 1.4783738903529537
Energy: 1.128535483637252
Energy: 1.4783738903467163
Energy: 1.4141918864853913
Energy: 1.4808028243166382
Energy: 1.4141918864791538
Energy: 1.4808028243166382
Energy: 1.4141918864878864
Energy: 1.480802824317262
Energy: 1.2083646342175038
Energy: 1.1979140490270714
Energy: 1.2083646342181276
Energy: 1.1979140490258238
Energy: 1.2083646342193752
Energy: 1.1979140490252
Energy: 1.3333198231119259
Energy: 1.481048927910017
Energy: 1.3333198231056886
Energy: 1.4810489279106407
Energy: 1.3333198231075596
Energy: 1.4810489279112644
Energy: 1.128533198928002
Energy: 1.478414756066768
Energy: 1.1285331989273784
Energy: 1.4784147560648966
Energy: 1.1285331989292497
Energy: 1.4784147560680154

minimum gb energy = 1.1285331989230123 eV
minimum distance =  2.24240173659496 Angstroms
sigma value = 27


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

Energy: 1.1895262688619779
Energy: 1.1426250110189589
Energy: 1.1895262688619779
Energy: 1.1426250110189589
Energy: 1.1895262688619779
Energy: 1.1426250110189589
Energy: 1.367747246891824
Energy: 1.2026279727894063
Energy: 1.3677472468964074
Energy: 1.2026279727894063
Energy: 1.3677472468933518
Energy: 1.2026279727878784
Energy: 1.192123108129753
Energy: 1.3515236059515567
Energy: 1.1921231081312809
Energy: 1.3515236059515567
Energy: 1.1921231081236419
Energy: 1.3515236059515567
Energy: 1.3512690595778865
Energy: 1.1085221534462173
Energy: 1.3512690595809422
Energy: 1.1085221534492729
Energy: 1.3512690595809422
Energy: 1.1085221534538565
Energy: 1.3521610093674756
Energy: 1.1085684090459207
Energy: 1.3521610093705314
Energy: 1.1085684090459207
Energy: 1.352161009365948
Energy: 1.1085684090489765
Energy: 1.3692483623706928
Energy: 1.436744757029539
Energy: 1.3692483623737486
Energy: 1.4367447570325946
Energy: 1.3692483623706928
Energy: 1.436744757029539
Energy: 1.1092263468910488
Energy: 1.2056345817609282
Energy: 1.1092263468910488
Energy: 1.2056345817594
Energy: 1.1092263468895207
Energy: 1.2056345817609282
Energy: 1.1837973572394562
Energy: 1.144554472947814
Energy: 1.1837973572364007
Energy: 1.1445544729554533
Energy: 1.1837973572364007
Energy: 1.1445544729447583
Energy: 1.368925604906678
Energy: 1.1924703359847038
Energy: 1.3689256049082057
Energy: 1.1924703360091495
Energy: 1.3689256049097336
Energy: 1.1924703360076214
Energy: 1.3291630502650391
Energy: 1.3856195894975865
Energy: 1.329163050266567
Energy: 1.3856195894853636
Energy: 1.329163050266567
Energy: 1.3856195894899472
Energy: 1.1435832725663757
Energy: 1.1094365396009311
Energy: 1.143583272564848
Energy: 1.1094365396009311
Energy: 1.1435832725663757
Energy: 1.1094365396009311
Energy: 1.4346698916304848
Energy: 1.2932816382483012
Energy: 1.4346698916304848
Energy: 1.2932816382468426
Energy: 1.4346698916320126
Energy: 1.293281638243787

minimum gb energy = 1.1085221534462173 eV
minimum distance =  2.2227969403639 Angstroms
sigma value = 9


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

Energy: 1.2087169991836377
Energy: 1.1695780329424963
Energy: 1.208716999181062
Energy: 1.1695780329428866
Energy: 1.2087169991831694
Energy: 1.169578032943355
Energy: 1.154975516923115
Energy: 1.1130153562239389
Energy: 1.1549755169201492
Energy: 1.1130153562235487
Energy: 1.1549755169205393
Energy: 1.1130153562244074
Energy: 1.0459018055620062
Energy: 1.1960328266460432
Energy: 1.0459018055598206
Energy: 1.196032826638316
Energy: 1.0459018055623963
Energy: 1.1960328266185687
Energy: 1.088207607637956
Energy: 1.0353861864843372
Energy: 1.0882076076362388
Energy: 1.0353861864778588
Energy: 1.0882076076370977
Energy: 1.0353861864937814
Energy: 1.151978999543767
Energy: 1.1201724979554295
Energy: 1.151978999543767
Energy: 1.1201724979554295
Energy: 1.1519789995415814
Energy: 1.1201724979558976
Energy: 1.1796975221681116
Energy: 1.1655532067000534
Energy: 1.1796975221492232
Energy: 1.1655532066974776
Energy: 1.1796975221677215
Energy: 1.1655532067022387
Energy: 1.1036035672337303
Energy: 1.209866311798223
Energy: 1.1036035672324815
Energy: 1.209866311798223
Energy: 1.1036035672337303
Energy: 1.2098663118050916
Energy: 1.0069575457735913
Energy: 1.1672680783012206
Energy: 1.0069575457756987
Energy: 1.1672680783003622
Energy: 1.0069575457735913
Energy: 1.1672680783012206
Energy: 1.1870637477964965
Energy: 1.1315496482210432
Energy: 1.1870637476780903
Energy: 1.1315496482188574
Energy: 1.1870637449211074
Energy: 1.1315496482201843
Energy: 1.1526559038280784
Energy: 1.2199868960506615
Energy: 1.1526559038285469
Energy: 1.2199868960935905
Energy: 1.15265590382722
Energy: 1.2199868961772633
Energy: 1.0867616524393464
Energy: 1.042289998424626
Energy: 1.0867616524393464
Energy: 1.0422899984250946
Energy: 1.0867616524398147
Energy: 1.0422899984254848
Energy: 1.0925773981824152
Energy: 1.1666856819784104
Energy: 1.0925773981798397
Energy: 1.1666856819684974
Energy: 1.0925773981824152
Energy: 1.166685681950077
Energy: 1.1424865876578705
Energy: 1.138525798458702
Energy: 1.142486587632113
Energy: 1.138525798458702
Energy: 1.1424865876501433
Energy: 1.1385257984643218
Energy: 1.2046955120034903
Energy: 1.1686879713133784
Energy: 1.2046955120108274
Energy: 1.1686879713120515
Energy: 1.2046955120189449
Energy: 1.1686879713133784
Energy: 1.0584865537005737
Energy: 1.164651205394822
Energy: 1.0584865536971393
Energy: 1.1646512053956806
Energy: 1.0584865536992467
Energy: 1.1646512053956806
Energy: 1.0612009193717884
Energy: 1.144086611213737
Energy: 1.0612009193867746
Energy: 1.1440866112223225
Energy: 1.0612009193816232
Energy: 1.1440866111999997
Energy: 1.35583715675959
Energy: 1.036342087503716
Energy: 1.3558371567600582
Energy: 1.03634208751878
Energy: 1.355837156761307
Energy: 1.0363420875136287
Energy: 1.0724347035718693
Energy: 1.119843802219236
Energy: 1.0724347035641422
Energy: 1.1198438022200947
Energy: 1.0724347035671862
Energy: 1.1198438022204849
Energy: 1.0031715731480266
Energy: 1.3724841135083146
Energy: 1.0031715731437336
Energy: 1.3724841135108905
Energy: 1.0031715731480266
Energy: 1.3724841135126076
Energy: 1.2691157418944699
Energy: 1.1177361150413767
Energy: 1.2691157418897088
Energy: 1.1177361150409084
Energy: 1.2691157418957189
Energy: 1.1177361150413767
Energy: 1.0031952486560005
Energy: 1.3725296980335897
Energy: 1.0031952486568592
Energy: 1.3725296980370238
Energy: 1.003195248662401
Energy: 1.3725296980310138
Energy: 1.072481254563649
Energy: 1.1197640064685876
Energy: 1.0724812545593563
Energy: 1.1197640064715537
Energy: 1.0724812545593563
Energy: 1.119764006468978
Energy: 1.3557210297723716
Energy: 1.036372863132032
Energy: 1.3557210297758058
Energy: 1.036372863136325
Energy: 1.3557210297791622
Energy: 1.0363728631316418
Energy: 1.0612882292042356
Energy: 1.1056161018738095
Energy: 1.0612882292021282
Energy: 1.1056161018677995
Energy: 1.0612882291965087
Energy: 1.1056161018759951
Energy: 1.0583100257410687
Energy: 1.161197435409181
Energy: 1.0583100257462201
Energy: 1.1611974354108978
Energy: 1.0583100257445028
Energy: 1.161197435409649
Energy: 1.2046814773276733
Energy: 1.1690038532133573
Energy: 1.2046814773491379
Energy: 1.1690038532121083
Energy: 1.204681477349528
Energy: 1.1690038532121083
Energy: 1.1430398464027653
Energy: 1.1384090612725717
Energy: 1.1430398464250104
Energy: 1.1384090612563367
Energy: 1.1430398464040143
Energy: 1.1384090612721816
Energy: 1.0929476923714643
Energy: 1.0531782059980874
Energy: 1.0929476923731813
Energy: 1.053178205997229
Energy: 1.0929476923731813
Energy: 1.05317820599598
Energy: 1.0865555945794532
Energy: 1.0423355647569503
Energy: 1.086555594579063
Energy: 1.042335564756482
Energy: 1.0865555945828875
Energy: 1.0423355647569503
Energy: 1.1525643847159965
Energy: 1.091133593668995
Energy: 1.152564384704835
Energy: 1.091133593667278
Energy: 1.1525643847177136
Energy: 1.0911335936677462
Energy: 1.186695984188158
Energy: 1.1334168008334597
Energy: 1.1866959899582934
Energy: 1.1334168008334597
Energy: 1.1866959882067092
Energy: 1.133416800832601
Energy: 1.0069924968173722
Energy: 1.1673294598071673
Energy: 1.006992496821665
Energy: 1.1673294598066988
Energy: 1.006992496820338
Energy: 1.1673294598075574
Energy: 1.1038355716016013
Energy: 1.2097451963494226
Energy: 1.1038355716007426
Energy: 1.2097451963494226
Energy: 1.103835571610187
Energy: 1.2097451963477053
Energy: 1.1794511306083633
Energy: 1.0752907908111284
Energy: 1.1794511306104705
Energy: 1.0752907908115967
Energy: 1.179451130609222
Energy: 1.075290790810738
Energy: 1.151959615655028
Energy: 1.1197853516392915
Energy: 1.1519596156481595
Energy: 1.1197853516388232
Energy: 1.151959615651984
Energy: 1.1197853516396818
Energy: 1.0881640164261348
Energy: 1.0354377983079202
Energy: 1.0881640164283202
Energy: 1.0354377983083884
Energy: 1.0881640164248858
Energy: 1.0354377983019103
Energy: 1.045840779356578
Energy: 1.1960300309883003
Energy: 1.0458407793604025
Energy: 1.1960300310003207
Energy: 1.0458407793591538
Energy: 1.1960300310075793
Energy: 1.1550213683134574
Energy: 1.172059879809045
Energy: 1.1550213683122088
Energy: 1.1720598798219237
Energy: 1.1550213683139259
Energy: 1.1720598798163822
Energy: 1.2087169991823108
Energy: 1.169578032945072
Energy: 1.2087169991763786
Energy: 1.1695780329459309
Energy: 1.2087169991771591
Energy: 1.1695780329454624
Energy: 1.1549755169278764
Energy: 1.1089964086089326
Energy: 1.1549755169265494
Energy: 1.1089964086093227
Energy: 1.154975516923115
Energy: 1.1089964086089326
Energy: 1.0459018055628646
Energy: 1.1960328266400333
Energy: 1.0459018055611475
Energy: 1.1960328266503362
Energy: 1.0459018055628646
Energy: 1.1960328266579854
Energy: 1.088207607636707
Energy: 1.0353861864912057
Energy: 1.088207607636707
Energy: 1.0353861864843372
Energy: 1.088207607636707
Energy: 1.035386186486913
Energy: 1.151978999541191
Energy: 1.120172497962298
Energy: 1.1519789995429084
Energy: 1.1201724979636247
Energy: 1.151978999539474
Energy: 1.1201724979631564

minimum gb energy = 1.0031715731437336 eV
minimum distance =  2.27609434128596 Angstroms
sigma value = 57


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

Energy: 0.5658353709289917
Energy: 0.5776933865014171
Energy: 0.5658353709280145
Energy: 0.5776933865023943
Energy: 0.5658353709289917
Energy: 0.5776933864975081
Energy: 0.7129734924054261
Energy: 0.5668668812286802
Energy: 0.7129734924083578
Energy: 0.5668668812286802
Energy: 0.7129734924044488
Energy: 0.5668668812296574
Energy: 0.6298861644793559
Energy: 0.6910710938252232
Energy: 0.6298861644783785
Energy: 0.6910710938252232
Energy: 0.6298861644793559
Energy: 0.6910710938262006
Energy: 0.5804526631965478
Energy: 0.5653103093570305
Energy: 0.5804526631897072
Energy: 0.5653103093570305
Energy: 0.5804526631926389
Energy: 0.5653103093560532
Energy: 0.7131056756883218
Energy: 0.7153029357221908
Energy: 0.7131056756941851
Energy: 0.7153029357212136
Energy: 0.7131056756834356
Energy: 0.7153029357221908
Energy: 0.5655236126383139
Energy: 0.6324931232283654
Energy: 0.5655236126363594
Energy: 0.6324931232205475
Energy: 0.5655236126402683
Energy: 0.6324931232322742
Energy: 0.5655323833799061
Energy: 0.6326412653674607
Energy: 0.565532383383815
Energy: 0.6326412653664835
Energy: 0.5655323833828378
Energy: 0.6326412653664835
Energy: 0.7102940937302998
Energy: 0.715213712664733
Energy: 0.7102940937244809
Energy: 0.7152137126657101
Energy: 0.7102940937225265
Energy: 0.715213712664733
Energy: 0.5804601502137833
Energy: 0.5653196612436895
Energy: 0.580460150212806
Energy: 0.5653196612358717
Energy: 0.5804601502303959
Energy: 0.5653196612446668
Energy: 0.6298244972279212
Energy: 0.6910529842732491
Energy: 0.6298244972249897
Energy: 0.6910529842742263
Energy: 0.6298244972357391
Energy: 0.6910529842732491
Energy: 0.7129408426724803
Energy: 0.566951202913152
Energy: 0.7129408426793209
Energy: 0.5669512029111975
Energy: 0.7129408426685715
Energy: 0.5669512029141291
Energy: 0.5658353709289917
Energy: 0.5776933864975081
Energy: 0.5658353709270372
Energy: 0.5776933864994627
Energy: 0.5658353709280145
Energy: 0.5776933865014171
Energy: 0.7129734924064033
Energy: 0.5668668812296574
Energy: 0.7129734924054261
Energy: 0.5668668812296574
Energy: 0.7129734924034716
Energy: 0.566866881227703
Energy: 0.6298861644774013
Energy: 0.6910710938349954
Energy: 0.6298861644920597
Energy: 0.6910710938222917
Energy: 0.6298861644871736
Energy: 0.6910710938262006
Energy: 0.5804526631926389
Energy: 0.5653103093550761
Energy: 0.5804526631926389
Energy: 0.5653103093531218
Energy: 0.5804526631945933
Energy: 0.5653103093492128
Energy: 0.713105675684413
Energy: 0.715302935723168
Energy: 0.7131056756922307
Energy: 0.715302935723168
Energy: 0.7131056756941851
Energy: 0.7153029357241453
Energy: 0.5655236126363594
Energy: 0.6324931232293426
Energy: 0.5655236126344051
Energy: 0.6324931232254337
Energy: 0.5655236126402683
Energy: 0.6324931232391148
Energy: 0.5655323833964744
Energy: 0.6326412653684379
Energy: 0.5655323833828378
Energy: 0.6326412653694152
Energy: 0.5655323833818605
Energy: 0.6326412653674607
Energy: 0.7102940937293227
Energy: 0.7152137126657101
Energy: 0.7102940937322542
Energy: 0.715213712664733
Energy: 0.7102940937332315
Energy: 0.7152137126657101

minimum gb energy = 0.5653103093492128 eV
minimum distance =  2.3974674089998 Angstroms
sigma value = 11


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

Energy: 0.9761078293979879
Energy: 1.1875468284127806
Energy: 0.9761078293987036
Energy: 1.1875468284134962
Energy: 0.9761078293951243
Energy: 1.1875468284127806
Energy: 1.1912804692390366
Energy: 1.0298753750515761
Energy: 1.1912804692397523
Energy: 1.0298753750501441
Energy: 1.1912804692397523
Energy: 1.02987537505086
Energy: 1.2288476923394844
Energy: 1.3370822408832286
Energy: 1.2288476923423477
Energy: 1.3370822408796492
Energy: 1.2288476923394844
Energy: 1.337082240888955
Energy: 1.3252709191634833
Energy: 0.922989894487929
Energy: 1.325270919165631
Energy: 0.922989894488645
Energy: 1.3252709191627674
Energy: 0.922989894487929
Energy: 1.125820522496528
Energy: 0.8888232087488913
Energy: 1.1258205225001072
Energy: 0.8888232087481753
Energy: 1.1258205224986755
Energy: 0.8888232087488913
Energy: 1.0859695874307436
Energy: 0.9143872413716002
Energy: 1.0859695874314594
Energy: 0.914387241368021
Energy: 1.0859695874271644
Energy: 0.9143872413708843
Energy: 0.8854441402982515
Energy: 1.087629928969119
Energy: 0.8854441402953882
Energy: 1.0876299289719822
Energy: 0.8854441402982515
Energy: 1.0876299289705504
Energy: 1.1696354447382404
Energy: 0.8546780910441675
Energy: 1.1696354447360928
Energy: 0.8546780910434516
Energy: 1.169635444738956
Energy: 0.8546780910434516
Energy: 1.1675803353327712
Energy: 0.858357419478577
Energy: 1.1675803353327712
Energy: 0.8583574194778611
Energy: 1.167580335333487
Energy: 0.858357419478577
Energy: 0.8776637849152938
Energy: 1.385131534511257
Energy: 0.8776637849188729
Energy: 1.3851315345091095
Energy: 0.8776637849160096
Energy: 1.3851315345119728
Energy: 1.0914863810622897
Energy: 1.0965728899110605
Energy: 1.0914863810622897
Energy: 1.0965728899103449
Energy: 1.0914863810630053
Energy: 1.0965728899117764
Energy: 1.1270555139967435
Energy: 0.8924904129099234
Energy: 1.1270555140003227
Energy: 0.8924904129106394
Energy: 1.1270555139960277
Energy: 0.8924904129099234
Energy: 1.1941654581783732
Energy: 0.9285859546452416
Energy: 1.194165458177657
Energy: 0.9285859546445259
Energy: 1.1941654581783732
Energy: 0.9285859546445259
Energy: 1.2742144104863673
Energy: 1.3068843697329229
Energy: 1.2742144104856516
Energy: 1.3068843697314911
Energy: 1.2742144104863673
Energy: 1.306884369727196
Energy: 1.1914678547117987
Energy: 1.0300223089342586
Energy: 1.1914678547153124
Energy: 1.0300223089342586
Energy: 1.191467854708935
Energy: 1.0300223089335427
Energy: 0.970369958257029
Energy: 1.1713130429933023
Energy: 0.9703699582541656
Energy: 1.1713130429933023
Energy: 0.9703699582548816
Energy: 1.1713130429925864
Energy: 1.0420229036986217
Energy: 1.1203272037025391
Energy: 1.0420229036950428
Energy: 1.1203272037018235
Energy: 1.0420229036964743
Energy: 1.1203272037018235
Energy: 1.476776555928809
Energy: 1.281541010618571
Energy: 1.476776555928809
Energy: 1.2815410106178549
Energy: 1.4767765559280932
Energy: 1.2815410106164233
Energy: 1.0928549494880835
Energy: 0.9198695152420652
Energy: 1.0928549494973894
Energy: 0.9198695152413492
Energy: 1.0928549495095585
Energy: 0.9198695152420652
Energy: 1.1270421591566195
Energy: 1.0469121597742892
Energy: 1.127042159158767
Energy: 1.046912159773573
Energy: 1.1270421591559034
Energy: 1.0469121597742892
Energy: 0.8769360409715824
Energy: 1.0254812386613865
Energy: 0.8769360409701507
Energy: 1.0254812386621024
Energy: 0.8769360409715824
Energy: 1.0254812386599546
Energy: 0.9348106889375457
Energy: 1.0849005748884701
Energy: 0.9348106889382615
Energy: 1.084900574897776
Energy: 0.934810688944704
Energy: 1.0849005748798803
Energy: 1.059421709843136
Energy: 1.0555186611514484
Energy: 1.059421709843136
Energy: 1.055518661152164
Energy: 1.05942170984242
Energy: 1.0555186611528802
Energy: 1.1674291665561447
Energy: 1.0074068670229221
Energy: 1.1674291665547127
Energy: 1.007406867022206
Energy: 1.1674291665554286
Energy: 1.007406867022206
Energy: 0.8778696840223607
Energy: 1.388342530724139
Energy: 0.8778696840187816
Energy: 1.3883425307312973
Energy: 0.877869684020213
Energy: 1.388342530728434
Energy: 1.6055273730564632
Energy: 1.0966769942532089
Energy: 1.6055273730564632
Energy: 1.0966769942546406
Energy: 1.6055273730557476
Energy: 1.096676994262515

minimum gb energy = 0.8546780910434516 eV
minimum distance =  2.27200964280934 Angstroms
sigma value = 41


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

Energy: 1.1679226177532491
Energy: 0.981511217668012
Energy: 1.1679226177532491
Energy: 0.9815112176674476
Energy: 1.1679226177538131
Energy: 0.981511217668012
Energy: 1.2779606242483326
Energy: 1.3541072034031656
Energy: 1.2779606242477684
Energy: 1.3541072034031656
Energy: 1.2779606242483326
Energy: 1.3541072034020372
Energy: 1.152514196570733
Energy: 1.1371467454205797
Energy: 1.152514196579196
Energy: 1.1371467454200157
Energy: 1.152514196576375
Energy: 1.1371467454143735
Energy: 1.0396982585675245
Energy: 0.9735794839027557
Energy: 1.0396982585697812
Energy: 0.9735794839021916
Energy: 1.0396982585697812
Energy: 0.9735794839027557
Energy: 0.9386644407628038
Energy: 1.0241745965103446
Energy: 0.9386644407644964
Energy: 1.024174596511473
Energy: 0.9386644407644964
Energy: 1.024174596512037
Energy: 1.2384536267306736
Energy: 1.221591972961143
Energy: 1.2384536267301096
Energy: 1.2215919729606302
Energy: 1.2384536267301096
Energy: 1.2215919729606302
Energy: 0.9652867029852839
Energy: 1.4474438634531124
Energy: 0.9652867029852839
Energy: 1.4474438634531124
Energy: 0.9652867029852839
Energy: 1.4474438634576257
Energy: 0.9531975387425112
Energy: 0.9736460044112955
Energy: 0.9531975387425112
Energy: 0.9736460044107311
Energy: 0.9531975387425112
Energy: 0.9736460044112955
Energy: 0.9588978406426033
Energy: 1.0120144599437666
Energy: 0.9588978406442958
Energy: 1.012014459944331
Energy: 0.9588978406431674
Energy: 1.0120144599437666
Energy: 1.0351283192109328
Energy: 1.0582800476329228
Energy: 1.0351283192131384
Energy: 1.0582800476267167
Energy: 1.0351283192103686
Energy: 1.0582800476329228
Energy: 1.0291510616516202
Energy: 1.199510684500796
Energy: 1.0291510616510557
Energy: 1.1995106844974108
Energy: 1.0291510616516202
Energy: 1.1995106844770995
Energy: 0.930104388673332
Energy: 1.1789001760792999
Energy: 0.9301043886727677
Energy: 1.1789001760798643
Energy: 0.9301043886738961
Energy: 1.1789001760798643
Energy: 0.9430705166328784
Energy: 0.970375277686455
Energy: 0.9430705166323143
Energy: 0.9703752776858907
Energy: 0.9430705166334428
Energy: 0.9703752776858907
Energy: 0.907904245674621
Energy: 1.37451320083137
Energy: 0.9079042456729284
Energy: 1.37451320083137
Energy: 0.9079042456740568
Energy: 1.3745132008319343
Energy: 1.2375718715620327
Energy: 1.2192076393155096
Energy: 1.2375718715975774
Energy: 1.2192076393160738
Energy: 1.2375718715750093
Energy: 1.2192076393172022
Energy: 0.9082152189424442
Energy: 1.2074888777051243
Energy: 0.9082152189407519
Energy: 1.2074888777056885
Energy: 0.9082152189418801
Energy: 1.207488877706817
Energy: 0.9512806257486764
Energy: 0.9704352589352676
Energy: 0.9512806257481121
Energy: 0.9704352589352676
Energy: 0.951280625750369
Energy: 0.970435258933575
Energy: 1.1350317899204736
Energy: 1.4510566515832821
Energy: 1.1350317899182165
Energy: 1.4510566515815897
Energy: 1.135031789919345
Energy: 1.451056651591181
Energy: 1.28096625942306
Energy: 1.3495024501703523
Energy: 1.2809662594253166
Energy: 1.3495024501703523
Energy: 1.2809662594241884
Energy: 1.3495024501703523
Energy: 1.029148613537851
Energy: 0.9762088109736027
Energy: 1.0291486135401078
Energy: 0.9762088109730386
Energy: 1.0291486135406718
Energy: 0.9762088109724744
Energy: 0.958376147715594
Energy: 1.0393619891136574
Energy: 0.9583761477161582
Energy: 1.0393619891142214
Energy: 0.9583761477161582
Energy: 1.0393619891147858
Energy: 1.1533714150010446
Energy: 1.647902393386702
Energy: 1.1533714150038656
Energy: 1.6479023933855734
Energy: 1.1533714150004803
Energy: 1.6479023933855734
Energy: 1.1747482753141707
Energy: 0.9682279834586489
Energy: 1.1747482753141707
Energy: 0.968227983459213
Energy: 1.1747482753152991
Energy: 0.968227983459213
Energy: 0.9084260740534434
Energy: 1.1806520359618733
Energy: 0.9084260740534434
Energy: 1.1806520359624377
Energy: 0.9084260740534434
Energy: 1.1806520359618733
Energy: 0.9134620691987635
Energy: 1.2380093493264437
Energy: 0.9134620691993275
Energy: 1.238009349327008
Energy: 0.9134620691976348
Energy: 1.238009349327572
Energy: 0.964771336583861
Energy: 1.3726946893554433
Energy: 0.9647713365827327
Energy: 1.3726946893554433
Energy: 0.964771336583297
Energy: 1.3726946893548788
Energy: 0.9456736827670268
Energy: 0.9681085552026295
Energy: 0.9456736827670268
Energy: 0.9681085552026295
Energy: 0.9456736827675911
Energy: 0.9681085552026295
Energy: 0.9548202730532515
Energy: 1.1687114618998513
Energy: 0.9548202730498664
Energy: 1.1687114619004155
Energy: 0.9548202730521231
Energy: 1.1687114618998513
Energy: 1.0293741262454068
Energy: 1.2102810756822913
Energy: 1.0293741262437142
Energy: 1.2102810756805986
Energy: 1.0293741262431502
Energy: 1.2102810756828555
Energy: 1.1255971926800985
Energy: 1.3252240285542403
Energy: 1.1255971926705068
Energy: 1.3252240285536763
Energy: 1.1255971926721993
Energy: 1.3252240285553687
Energy: 0.932178155213369
Energy: 1.1767842204045253
Energy: 0.932178155213369
Energy: 1.176784220403397
Energy: 0.932178155213369
Energy: 1.1767842204039614
Energy: 0.9663017871541512
Energy: 0.9968521392114644
Energy: 0.9663017871541512
Energy: 0.9968521392109001
Energy: 0.9663017871547153
Energy: 0.9968521392109001
Energy: 0.9127079358373574
Energy: 1.2129813664582463
Energy: 0.9127079358373574
Energy: 1.2129813664582463
Energy: 0.9127079358379218
Energy: 1.2129813664582463

minimum gb energy = 0.9079042456729284 eV
minimum distance =  2.31979879417356 Angstroms
sigma value = 33


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

Energy: 1.1058252445044066
Energy: 1.0028479088329927
Energy: 1.1058252445004468
Energy: 1.0028479088290332
Energy: 1.1058252445044066
Energy: 1.0028479088329927
Energy: 1.1241194015373575
Energy: 0.9598481375781069
Energy: 1.1241194015373575
Energy: 0.9598481375781069
Energy: 1.1241194015452767
Energy: 0.9598481375781069
Energy: 1.0376492251366172
Energy: 1.233639424451207
Energy: 1.037649225140577
Energy: 1.233639424459126
Energy: 1.0376492251366172
Energy: 1.233639424451207
Energy: 1.0310216633314708
Energy: 0.987796700160908
Energy: 1.0310216633354305
Energy: 0.987796700160908
Energy: 1.0310216633354305
Energy: 0.987796700160908
Energy: 1.0288576884683798
Energy: 0.9942022812443195
Energy: 1.0288576884723393
Energy: 0.9942022812403599
Energy: 1.0288576884683798
Energy: 0.9942022812403599
Energy: 1.3931398622469817
Energy: 1.019728952027843
Energy: 1.3931398622509414
Energy: 1.019728952027843
Energy: 1.3931398622469817
Energy: 1.019728952027843
Energy: 1.0073706546946746
Energy: 1.1077449813604487
Energy: 1.0073706546946746
Energy: 1.1077449813604487
Energy: 1.007370654690715
Energy: 1.1077449813604487
Energy: 1.0675767994110674
Energy: 1.0697200524883694
Energy: 1.0675767994150267
Energy: 1.0697200524804502
Energy: 1.0675767994110674
Energy: 1.06972005248441
Energy: 1.0228539419453218
Energy: 1.0422786144852856
Energy: 1.0228539419492813
Energy: 1.0422786144852856
Energy: 1.0228539419492813
Energy: 1.0422786144852856
Energy: 1.460962071254046
Energy: 0.9923310776010044
Energy: 1.4609620712500864
Energy: 0.9923310776010044
Energy: 1.460962071254046
Energy: 0.9923310776010044
Energy: 1.0661094247227514
Energy: 1.0652958427619441
Energy: 1.0661094247227514
Energy: 1.0652958427619441
Energy: 1.0661094247227514
Energy: 1.0652958427659036
Energy: 1.704509554099466
Energy: 0.9881447581845795
Energy: 1.7045095541034256
Energy: 0.9881447581806201
Energy: 1.7045095541034256
Energy: 0.9881447581845795
Energy: 1.044914401064856
Energy: 1.0239244254560207
Energy: 1.0449144010688152
Energy: 1.0239244254599802
Energy: 1.0449144010688152
Energy: 1.0239244254599802
Energy: 1.086872739620343
Energy: 1.0716221564699047
Energy: 1.0868727396163833
Energy: 1.0716221564699047
Energy: 1.0868727396163833
Energy: 1.0716221564699047
Energy: 1.0749980917632234
Energy: 1.006352484509786
Energy: 1.0749980917632234
Energy: 1.006352484509786
Energy: 1.0749980917632234
Energy: 1.006352484509786
Energy: 1.0243427320685496
Energy: 1.3988208673726568
Energy: 1.0243427320685496
Energy: 1.3988208673726568
Energy: 1.0243427320685496
Energy: 1.3988208673726568
Energy: 0.9879849018737515
Energy: 0.9808764189876933
Energy: 0.9879849018539535
Energy: 0.9808764189916529
Energy: 0.9879849018618726
Energy: 0.9808764189956126
Energy: 0.9844648385846999
Energy: 1.0347178536399246
Energy: 0.9844648385846999
Energy: 1.0347178536399246
Energy: 0.9844648385846999
Energy: 1.0347178536399246
Energy: 1.1631224427298819
Energy: 1.0368295395510034
Energy: 1.1631224427298819
Energy: 1.0368295395510034
Energy: 1.1631224427298819
Energy: 1.0368295395510034
Energy: 1.3487340898323967
Energy: 1.050124759635675
Energy: 1.348734089828437
Energy: 1.050124759635675
Energy: 1.3487340898323967
Energy: 1.050124759635675
Energy: 0.9820829057619025
Energy: 1.0749183269869624
Energy: 0.9820829057539832
Energy: 1.0749183269830749
Energy: 0.9820829057658621
Energy: 1.0749183269791152
Energy: 0.9560065348216561
Energy: 1.1283073773445638
Energy: 0.9560065348177683
Energy: 1.1283073773445638
Energy: 0.9560065348177683
Energy: 1.1283073773445638
Energy: 1.075030043228257
Energy: 1.3325041684483647
Energy: 1.075030043228257
Energy: 1.3325041684483647
Energy: 1.075030043228257
Energy: 1.3325041684483647
Energy: 0.9947328480101659
Energy: 1.0329799658299452
Energy: 0.9947328480062062
Energy: 1.0329799658299452
Energy: 0.9947328480062062
Energy: 1.0329799658339047
Energy: 0.9940216250542002
Energy: 0.9809129626757861
Energy: 0.9940216250542002
Energy: 0.9809129626757861
Energy: 0.9940216250502407
Energy: 0.9809129626718266
Energy: 1.0154300488635162
Energy: 1.3895274222926988
Energy: 1.0154300488674757
Energy: 1.3895274222887393
Energy: 1.0154300488674757
Energy: 1.3895274222926988
Energy: 1.1231887627261115
Energy: 1.0100708461775991
Energy: 1.1231887627300714
Energy: 1.0100708461775991
Energy: 1.1231887627261115
Energy: 1.0100708461815586
Energy: 1.0758309823286627
Energy: 0.9956170050462924
Energy: 1.0758309823207435
Energy: 0.9956170050462924
Energy: 1.0758309823247034
Energy: 0.9956170050462924
Energy: 1.0452519297551006
Energy: 1.026115610156449
Energy: 1.0452519297511407
Energy: 1.0261156101524893
Energy: 1.0452519297551006
Energy: 1.0261156101524893
Energy: 0.9886551333903312
Energy: 1.456250722177319
Energy: 0.9886551333903312
Energy: 1.4562507221733594
Energy: 0.9886551333903312
Energy: 1.456250722177319
Energy: 1.029879770269629
Energy: 0.9819443393194481
Energy: 1.0298797702656695
Energy: 0.9819443393194481
Energy: 1.0298797702577505
Energy: 0.9819443393194481
Energy: 0.995382264371454
Energy: 1.3589471059808458
Energy: 0.995382264371454
Energy: 1.3589471059848057
Energy: 0.995382264371454
Energy: 1.3589471059848057
Energy: 1.3485933383315343
Energy: 1.0340873627230238
Energy: 1.3485933383315343
Energy: 1.0340873627230238
Energy: 1.348593338335494
Energy: 1.0340873627230238
Energy: 1.067081254178223
Energy: 1.0795083150802494
Energy: 1.0670812541821826
Energy: 1.0795083150802494
Energy: 1.067081254178223
Energy: 1.0795083150802494
Energy: 1.0670655740353578
Energy: 1.0799967228994904
Energy: 1.067065574031398
Energy: 1.0799967228994904
Energy: 1.067065574031398
Energy: 1.0799967228994904
Energy: 1.3493506674315212
Energy: 1.0341641094704213
Energy: 1.3493506674354805
Energy: 1.0341641094704213
Energy: 1.3493506674394402
Energy: 1.0341641094704213
Energy: 0.9953241686909197
Energy: 1.3587175932973756
Energy: 0.9953241686948792
Energy: 1.3587175932973756
Energy: 0.9953241686909197
Energy: 1.3587175932934161
Energy: 1.0295883590745767
Energy: 0.9818291579764616
Energy: 1.0295883590745767
Energy: 0.9818291579764616
Energy: 1.0295883590745767
Energy: 0.9818291579764616
Energy: 0.988349636046275
Energy: 1.4561580183290237
Energy: 0.9883496360502347
Energy: 1.4561580183290237
Energy: 0.988349636046275
Energy: 1.4561580183290237
Energy: 1.045612663276877
Energy: 1.0265053710049827
Energy: 1.045612663276877
Energy: 1.0265053710049827
Energy: 1.045612663276877
Energy: 1.0265053710089422
Energy: 1.089377843590089
Energy: 0.9959949564996855
Energy: 1.089377843590089
Energy: 0.995994956503645
Energy: 1.089377843590089
Energy: 0.9959949564996855
Energy: 1.1232487231329658
Energy: 1.0102783345712627
Energy: 1.1232487231369253
Energy: 1.0102783345712627
Energy: 1.1232487231369253
Energy: 1.0102783345712627
Energy: 1.015394949942829
Energy: 1.3894226145222603
Energy: 1.015394949942829
Energy: 1.3894226145222603
Energy: 1.015394949942829
Energy: 1.3894226145222603
Energy: 0.9843360577216743
Energy: 0.9809096904134783
Energy: 0.9843360577256339
Energy: 0.9809096904332765
Energy: 0.9843360577216743
Energy: 0.9809096904134783
Energy: 0.9950425108465113
Energy: 1.0330333104115585
Energy: 0.9950425108465113
Energy: 1.0330333104115585
Energy: 0.9950425108504709
Energy: 1.0330333104115585
Energy: 1.0749966255403183
Energy: 1.3320712855553474
Energy: 1.0749966255442778
Energy: 1.3320712855553474
Energy: 1.0749966255403183
Energy: 1.3320712855514598
Energy: 0.9560015598908984
Energy: 1.1282291843574366
Energy: 0.9560015598869389
Energy: 1.1282291843574366
Energy: 0.9560015598869389
Energy: 1.1282291843574366

minimum gb energy = 0.9560015598869389 eV
minimum distance =  2.29790595640567 Angstroms
sigma value = 67


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

Energy: 1.1798373392553365
Energy: 1.061520711335712
Energy: 1.1798373392553365
Energy: 1.061520711335712
Energy: 1.1798373392526902
Energy: 1.061520711335712
Energy: 1.135676059492967
Energy: 0.9887609900622971
Energy: 1.135676059492967
Energy: 0.9887609900622971
Energy: 1.135676059492967
Energy: 0.9887609900622971
Energy: 1.1000294754050657
Energy: 1.2682038749925704
Energy: 1.1000294754050657
Energy: 1.2682038749925704
Energy: 1.1000294754050657
Energy: 1.268203874989924
Energy: 1.1356746261332904
Energy: 0.9887647322075035
Energy: 1.1356746261332904
Energy: 0.9887647322075035
Energy: 1.1356746261332904
Energy: 0.9887647322048573
Energy: 1.1798373392632755
Energy: 1.0615207113383582
Energy: 1.1798373392606292
Energy: 1.0615207113383582
Energy: 1.1798373392632755
Energy: 1.0615207113383582
Energy: 1.1356760594956132
Energy: 0.9887609900596508
Energy: 1.1356760594956132
Energy: 0.9887609900596508
Energy: 1.1356760594956132
Energy: 0.9887609900596508
Energy: 0.9895984943665357
Energy: 1.268203874989924
Energy: 0.9895984943480114
Energy: 1.268203874989924
Energy: 0.9895984943427187
Energy: 1.268203874989924

minimum gb energy = 0.9887609900596508 eV
minimum distance =  2.30437367383466 Angstroms
sigma value = 3


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

Energy: 1.3600046445148535
Energy: 1.2673326113059857
Energy: 1.360004644522056
Energy: 1.2673326113059857
Energy: 1.360004644522056
Energy: 1.2673326113059857
Energy: 1.2445795881304311
Energy: 1.1502096580044954
Energy: 1.2445795881340322
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Energy: 1.2159145506479827
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Energy: 1.3935095815760072
Energy: 1.1854567437608088
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Energy: 1.185456743768011
Energy: 1.3935095815832097
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Energy: 1.3209607732983106
Energy: 1.1515867898337717
Energy: 1.320960773305513
Energy: 1.1515867898337717
Energy: 1.3209607732947097
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Energy: 1.264594142799489
Energy: 1.27971027248184
Energy: 1.26459414280309
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Energy: 1.264594142799489
Energy: 1.27971027248184
Energy: 1.3072483766290717
Energy: 1.2008981832383159
Energy: 1.307248376632673
Energy: 1.2008981832383159
Energy: 1.3072483766290717
Energy: 1.2008981832383159
Energy: 1.273733281818491
Energy: 1.3562426015802072
Energy: 1.2737332818148899
Energy: 1.3562426015802072
Energy: 1.2737332818148899
Energy: 1.3562426015802072
Energy: 1.309873793720698
Energy: 1.211801335564249
Energy: 1.309873793709894
Energy: 1.2118013355570465
Energy: 1.309873793720698
Energy: 1.2118013355606478
Energy: 1.185719034501918
Energy: 1.2906961465093478
Energy: 1.1857190345055193
Energy: 1.2906961464625322
Energy: 1.185719034501918
Energy: 1.290696146372568
Energy: 1.234837585880938
Energy: 1.2374208167737615
Energy: 1.2348375858917415
Energy: 1.2374208167773626
Energy: 1.2348375858845393
Energy: 1.2374208167773626
Energy: 1.2681743846317557
Energy: 1.2130609841077395
Energy: 1.268174384638958
Energy: 1.2130609841077395
Energy: 1.268174384635357
Energy: 1.2130609841077395

minimum gb energy = 1.1469272967750697 eV
minimum distance =  2.26589482948016 Angstroms
sigma value = 81


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

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Energy: 1.2222787438617522
Energy: 1.2516510227546909
Energy: 1.2222787438617522
Energy: 1.2516510227551854
Energy: 1.2222787438622464
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Energy: 1.2802805001164081
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Energy: 1.3815553596293089
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Energy: 1.330825071438466
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Energy: 1.2974249151331387
Energy: 1.066031385763421
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Energy: 1.066031385763421
Energy: 1.2974249151326442
Energy: 1.2341349547130227
Energy: 1.1334072125091392
Energy: 1.2341349547140112
Energy: 1.1334072125096335
Energy: 1.2341349547149998
Energy: 1.1334072125101278
Energy: 1.2995436582245423
Energy: 1.2891148416077838
Energy: 1.2995436582240478
Energy: 1.2891148416082778
Energy: 1.2995436582235538
Energy: 1.2891148416077838
Energy: 1.3222842754451154
Energy: 1.1232036704632185
Energy: 1.322284275446104
Energy: 1.1232036704632185
Energy: 1.3222842754451154
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Energy: 1.3132842323564815
Energy: 1.3187662220752585
Energy: 1.3132842323545044
Energy: 1.3187662220757526
Energy: 1.31328423235747
Energy: 1.3187662220752585
Energy: 1.2756901399439988
Energy: 1.3118338196919337
Energy: 1.2756901399449874
Energy: 1.3118338196919337
Energy: 1.2756901399454816
Energy: 1.3118338196914392
Energy: 1.133921818442819
Energy: 1.135714537466547
Energy: 1.1339218184447961
Energy: 1.135714537469018
Energy: 1.1339218184452904
Energy: 1.1357145374675355
Energy: 1.3284296298167777
Energy: 1.1021583452306345
Energy: 1.3284296298167777
Energy: 1.1021583452301402
Energy: 1.3284296298177662
Energy: 1.1021583452301402
Energy: 1.2513314895993706
Energy: 1.5269602723191498
Energy: 1.2513314896053016
Energy: 1.5269602723201383
Energy: 1.2513314895988763
Energy: 1.5269602723211266
Energy: 1.4321390385923263
Energy: 1.313406917814417
Energy: 1.432139038589361
Energy: 1.3134069178005778
Energy: 1.432139038591338
Energy: 1.3134069176039525
Energy: 1.3021994067579452
Energy: 1.298692155674327
Energy: 1.3021994067584395
Energy: 1.2986921556753155
Energy: 1.3021994067569567
Energy: 1.2986921556758098
Energy: 1.1040572047570198
Energy: 1.1332933781306058
Energy: 1.1040572047565256
Energy: 1.1332933781315944
Energy: 1.1040572047580084
Energy: 1.1332933781311

minimum gb energy = 1.0659927294636846 eV
minimum distance =  2.32406923716821 Angstroms
sigma value = 43


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

Energy: 1.4851595362181507
Energy: 1.2920897476665156
Energy: 1.4851595362175436
Energy: 1.2920897476665156
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Energy: 1.1594584531200105
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Energy: 1.1594584531194032
Energy: 1.3065707599223206
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Energy: 1.3482335869998592
Energy: 1.2344110043874843
Energy: 1.348233586998645
Energy: 1.2344110043880916
Energy: 1.3482335869992519
Energy: 1.2344110043880916
Energy: 1.319067235321639
Energy: 1.249266334416934
Energy: 1.3190672353252817
Energy: 1.249266334416934
Energy: 1.3190672353198176
Energy: 1.249266334416934
Energy: 1.3055408034840734
Energy: 1.1601126085269384
Energy: 1.3055408034798235
Energy: 1.1601126085269384
Energy: 1.3055408034822518
Energy: 1.1601126085263311
Energy: 1.2568104860250118
Energy: 1.2203424329871047
Energy: 1.2568104860225833
Energy: 1.2203424329871047
Energy: 1.2568104860237974
Energy: 1.2203424329871047
Energy: 1.319046011574243
Energy: 1.2521081219264636
Energy: 1.3190460115754572
Energy: 1.2521081219319274
Energy: 1.319046011573636
Energy: 1.2521081219307133
Energy: 1.1196800579977513
Energy: 1.3095626913920562
Energy: 1.11968005799593
Energy: 1.309562691390842
Energy: 1.11968005799593
Energy: 1.309562691391449
Energy: 1.3575721346034688
Energy: 1.256005064275258
Energy: 1.3575721346016474
Energy: 1.2560050642740437
Energy: 1.3575721346034688
Energy: 1.2560050642740437
Energy: 1.220794555870566
Energy: 1.2647838169192067
Energy: 1.2207945558687447
Energy: 1.2647838169192067
Energy: 1.2207945558687447
Energy: 1.2647838169192067
Energy: 1.3199941076886441
Energy: 1.2507350612560926
Energy: 1.3199941076886441
Energy: 1.2507350612566994
Energy: 1.3199941076886441
Energy: 1.250735061258521
Energy: 1.227738888956225
Energy: 1.3330497803821015
Energy: 1.2277388889647245
Energy: 1.3330497803814942
Energy: 1.2277388889550107
Energy: 1.3330497803814942
Energy: 1.3181164359282342
Energy: 1.143284649260761
Energy: 1.3181164357795478
Energy: 1.143284649260761
Energy: 1.318116435359594
Energy: 1.143284649261975
Energy: 1.2208818920652553
Energy: 1.258036943933504
Energy: 1.2208818920670765
Energy: 1.2580369439268257
Energy: 1.2208818920658624
Energy: 1.2580369438801335
Energy: 1.2836505175645818
Energy: 1.305622208048995
Energy: 1.2836505175670103
Energy: 1.3056222080496018
Energy: 1.2836505175657962
Energy: 1.3056222080496018
Energy: 1.2432880765434244
Energy: 1.2551976381219103
Energy: 1.2432919095675667
Energy: 1.2551976381219103
Energy: 1.243025730700061
Energy: 1.2551976381219103

minimum gb energy = 1.1187841393977107 eV
minimum distance =  2.27770836566709 Angstroms
sigma value = 57


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

Energy: 1.3571044264634322
Energy: 1.1763639004633173
Energy: 1.3571044264642185
Energy: 1.1763639004625313
Energy: 1.3571044264642185
Energy: 1.1763639004625313
Energy: 1.2594205522951447
Energy: 1.1051846802008818
Energy: 1.2594205522943587
Energy: 1.1051846802008818
Energy: 1.2594205522943587
Energy: 1.1051846802008818
Energy: 1.2646772377798086
Energy: 1.3888695316876511
Energy: 1.264677237785311
Energy: 1.3888695316876511
Energy: 1.2646772377758784
Energy: 1.3888695316876511
Energy: 1.4708170104467664
Energy: 1.2482827717792573
Energy: 1.470817010464846
Energy: 1.2482827717800433
Energy: 1.4708170104687766
Energy: 1.2482827717808294
Energy: 1.1572022079550979
Energy: 1.2454705033672446
Energy: 1.1572022079566702
Energy: 1.2454704991297951
Energy: 1.157202207953526
Energy: 1.2454704862384007
Energy: 1.2222677106862423
Energy: 1.2636867478971678
Energy: 1.2222677075645563
Energy: 1.2636867478979539
Energy: 1.222267704378448
Energy: 1.26368674789874
Energy: 1.2695611694746627
Energy: 1.3739645953223438
Energy: 1.2695611694730906
Energy: 1.3739645953239161
Energy: 1.2695611694746627
Energy: 1.3739645953223438
Energy: 1.252791331862514
Energy: 1.1845606516257476
Energy: 1.2527913318609418
Energy: 1.1845606516265337
Energy: 1.252791331862514
Energy: 1.1845606516257476
Energy: 1.1782474870490471
Energy: 1.1013620762162846
Energy: 1.1782474870490471
Energy: 1.1013620762162846
Energy: 1.1782474870537634
Energy: 1.1013620762139262
Energy: 1.0395776598490856
Energy: 1.2636902831692036
Energy: 1.0395776598427968
Energy: 1.2636902831684178
Energy: 1.0395776598490856
Energy: 1.2636902831684178
Energy: 1.239098925884658
Energy: 1.2496908913069187
Energy: 1.2390989258854441
Energy: 1.2496908912974858
Energy: 1.2390989258854441
Energy: 1.2496908913053464
Energy: 1.2679304748488456
Energy: 1.3618045046759193
Energy: 1.2679304748480593
Energy: 1.3618026849246068
Energy: 1.2679304748472733
Energy: 1.361795663845932
Energy: 1.1922402564649242
Energy: 1.1012688146579148
Energy: 1.1922402562276009
Energy: 1.1012688146563425
Energy: 1.1922402554646785
Energy: 1.1012688146587009
Energy: 1.24972787584321
Energy: 1.1419658821306518
Energy: 1.249727875866792
Energy: 1.1419658821306518
Energy: 1.2497278758439958
Energy: 1.1419658821306518
Energy: 1.1571026790862926
Energy: 1.099842700839681
Energy: 1.1571026790823622
Energy: 1.0998427008412532
Energy: 1.1571026790855066
Energy: 1.0998427008388951
Energy: 1.2511669432295696
Energy: 1.2197340506575216
Energy: 1.2511669432232808
Energy: 1.2197340506575216
Energy: 1.251166943226425
Energy: 1.2197340506583079
Energy: 1.0395864600059341
Energy: 1.2591310196793428
Energy: 1.0395864600027898
Energy: 1.2591310196793428
Energy: 1.0395864600098645
Energy: 1.2591310196785566
Energy: 1.236402779805883
Energy: 1.2589939910582073
Energy: 1.236402779808241
Energy: 1.258993991054277
Energy: 1.2364027798066692
Energy: 1.2589939910534909
Energy: 1.0396192247299747
Energy: 1.259524453689307
Energy: 1.0396192247331193
Energy: 1.2595244536900931
Energy: 1.0396192247307607
Energy: 1.2595244536916652
Energy: 1.2512962615779606
Energy: 1.2197317088967237
Energy: 1.2512962615779606
Energy: 1.21973170889751
Energy: 1.2512962615763883
Energy: 1.2197317088959376
Energy: 1.1570683480117914
Energy: 1.0997469856204671
Energy: 1.1570683480125772
Energy: 1.099746985619681
Energy: 1.1570683480086468
Energy: 1.0997469856204671
Energy: 1.2495367146081533
Energy: 1.1479463898300493
Energy: 1.2495367147574363
Energy: 1.1479463898331934
Energy: 1.249536714615228
Energy: 1.1479463898300493
Energy: 1.192236194169668
Energy: 1.1014784111153757
Energy: 1.192236193739899
Energy: 1.1014784111153757
Energy: 1.1922361931050356
Energy: 1.1014784111145894
Energy: 1.2680506573896646
Energy: 1.3617413007508095
Energy: 1.268050657391237
Energy: 1.3617379280409463
Energy: 1.2680506573873067
Energy: 1.3617294669668636

minimum gb energy = 1.0395776598427968 eV
minimum distance =  2.2534164606022 Angstroms
sigma value = 17


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

Energy: 1.1424237855932604
Energy: 1.1185830676406807
Energy: 1.1424237855932604
Energy: 1.1185830676406807
Energy: 1.1424237855943722
Energy: 1.1185830676406807
Energy: 1.0712294331334864
Energy: 1.068765704580748
Energy: 1.0712294331323748
Energy: 1.068765704580748
Energy: 1.0712294331334864
Energy: 1.0687657045818595
Energy: 1.1886642133976137
Energy: 1.2545213597614435
Energy: 1.1886642134031722
Energy: 1.2545213597614435
Energy: 1.1886642133942786
Energy: 1.2545213597614435
Energy: 1.0237140881781948
Energy: 1.270479854613447
Energy: 1.0237140881781948
Energy: 1.2704798546178941
Energy: 1.023714088177083
Energy: 1.2704798546167821
Energy: 1.1271506109992278
Energy: 1.1906677480930579
Energy: 1.1271506110025629
Energy: 1.1906677480941694
Energy: 1.1271506110047862
Energy: 1.1906677480908345
Energy: 1.1417501954918754
Energy: 1.2042994772826985
Energy: 1.1417501954918754
Energy: 1.2042994772826985
Energy: 1.1417501954907636
Energy: 1.2042994772826985
Energy: 1.1498233157371258
Energy: 1.067939059769601
Energy: 1.1498233157349025
Energy: 1.0679390597707126
Energy: 1.149823315736014
Energy: 1.0679390597718244
Energy: 1.0265369184656976
Energy: 1.1930801486946825
Energy: 1.0265369184656976
Energy: 1.193080148695794
Energy: 1.0265369184668092
Energy: 1.193080148700241
Energy: 1.225624526518585
Energy: 1.0686709319068501
Energy: 1.2256245265174732
Energy: 1.0686709319068501
Energy: 1.225624526518585
Energy: 1.0686709319068501
Energy: 1.1418102803545398
Energy: 1.0775004137515487
Energy: 1.1418102803545398
Energy: 1.0775004137515487
Energy: 1.1418102803545398
Energy: 1.0775004137515487
Energy: 1.1252322120966682
Energy: 1.045962398572758
Energy: 1.12523221209778
Energy: 1.045962398572758
Energy: 1.1252322120966682
Energy: 1.0459623985660877
Energy: 1.1142550576728083
Energy: 1.0691396523781143
Energy: 1.1142550576761434
Energy: 1.0691396523770025
Energy: 1.11425505767392
Energy: 1.0691396523781143
Energy: 1.011282705614653
Energy: 1.2076679446546006
Energy: 1.0112827056157647
Energy: 1.2076679446546006
Energy: 1.011282705614653
Energy: 1.2076679446546006
Energy: 1.1420448480779657
Energy: 1.1521503352983726
Energy: 1.1420448480779657
Energy: 1.1521503352983726
Energy: 1.1420448480790775
Energy: 1.1521503352972609
Energy: 1.1498758581436752
Energy: 1.0296072247343635
Energy: 1.1498758581425634
Energy: 1.0296072247488155
Energy: 1.149875858144787
Energy: 1.0296072247443686
Energy: 1.1462802056867347
Energy: 1.2103324251961736
Energy: 1.1462802056856232
Energy: 1.2103324251972853
Energy: 1.1462802056878465
Energy: 1.2103324251972853
Energy: 1.1396194383373566
Energy: 1.1520573636285765
Energy: 1.1396194383373566
Energy: 1.152057363626353
Energy: 1.1396194383362448
Energy: 1.1520573636352465

minimum gb energy = 1.011282705614653 eV
minimum distance =  2.25326353263889 Angstroms
sigma value = 17


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

Energy: 1.16704872033619
Energy: 1.039422336911998
Energy: 1.1202663125775958
Energy: 1.0394223368927187
Energy: 1.16704872033658
Energy: 1.0394223368918603
Energy: 1.058058772021909
Energy: 1.0514234415883972
Energy: 1.0075156238643426
Energy: 1.051423441593939
Energy: 1.0580587720137133
Energy: 1.0514234415947976
Energy: 1.1348360974762672
Energy: 1.110524365022828
Energy: 1.132528736078098
Energy: 1.1105243650429657
Energy: 1.1348360974398164
Energy: 1.1105243650429657
Energy: 0.9753606387678793
Energy: 1.1339414156132
Energy: 0.9753784114993305
Energy: 1.1339414156080485
Energy: 0.9753606387678793
Energy: 1.1339414156076582
Energy: 1.0048268113752636
Energy: 0.9970580311092089
Energy: 1.0048268113662875
Energy: 0.9970580311006231
Energy: 1.0048268113632437
Energy: 0.9970580310993742
Energy: 1.1105260412278077
Energy: 1.011827313836143
Energy: 1.108215593422185
Energy: 1.0118273138576075
Energy: 1.1105260412544238
Energy: 1.0118273138571392
Energy: 1.0121266954253498
Energy: 1.0523984349856326
Energy: 1.0121266954184809
Energy: 1.0523984349748612
Energy: 1.012126695410754
Energy: 1.0523984349757198
Energy: 1.0721092417354032
Energy: 1.1180507907265174
Energy: 1.0721092417367302
Energy: 1.118050790738069
Energy: 1.072109241742272
Energy: 1.1180507907312003
Energy: 1.0486331410366252
Energy: 1.0637543452840106
Energy: 1.0486331410293663
Energy: 1.063754345275425
Energy: 1.0486331410409182
Energy: 1.0637543452750347
Energy: 1.0118528796028192
Energy: 0.9567476835458074
Energy: 1.0118528796045365
Energy: 0.956747683550959
Energy: 1.0118528796105466
Energy: 0.9567476835504906
Energy: 0.9742479660894688
Energy: 1.228128629663497
Energy: 0.9742479660894688
Energy: 1.2281286296690388
Energy: 0.9742479660903275
Energy: 1.2281286296724732
Energy: 1.094127086853077
Energy: 1.0308627338927128
Energy: 1.0941270863445627
Energy: 1.030862733885454
Energy: 1.0941270859472736
Energy: 1.030862733885454
Energy: 1.1101722215173129
Energy: 1.0357739996502304
Energy: 1.1101722215147372
Energy: 1.0357739996433617
Energy: 1.1101722215181715
Energy: 1.0357739996433617
Energy: 1.0159941035513302
Energy: 1.0413622775043667
Energy: 1.015994103558199
Energy: 1.041362277510767
Energy: 1.0159941035685018
Energy: 1.0413622775095182
Energy: 1.0736078732214953
Energy: 1.0290069905683412
Energy: 1.0732348107032732
Energy: 1.0290069905550723
Energy: 1.0736078732408523
Energy: 1.0290069905520283
Energy: 1.0413879005677737
Energy: 1.0481727976390396
Energy: 1.0413737979971305
Energy: 1.0481727976459083
Energy: 1.0413879005579392
Energy: 1.048172797645518
Energy: 1.0296116834971751
Energy: 1.152480119051059
Energy: 1.0296116835040436
Energy: 1.1524801190398972
Energy: 1.0296116835027949
Energy: 1.1524801190398972
Energy: 1.1356890095802001
Energy: 1.0931336458433865
Energy: 1.1356890095802001
Energy: 1.0931336458511138
Energy: 1.1356890095853516
Energy: 1.0931336458524405
Energy: 1.0297285738262936
Energy: 1.0502314738587528
Energy: 1.0297285738314448
Energy: 1.0502314738501668
Energy: 1.0297285738305864
Energy: 1.0502314738536012
Energy: 1.028390913681332
Energy: 1.0603940645949694
Energy: 1.0283909136796148
Energy: 1.0603940645829495
Energy: 1.0283909136787563
Energy: 1.0603940645829495
Energy: 1.0719531190941705
Energy: 1.0506806322224316
Energy: 1.0719531190993221
Energy: 1.05068063222329
Energy: 1.0719531191027565
Energy: 1.0506806322250073
Energy: 1.08498383374236
Energy: 1.0930792996280914
Energy: 1.0849838337543805
Energy: 1.0930792996225496
Energy: 1.0849838337513362
Energy: 1.093079299625984
Energy: 1.029788166087051
Energy: 1.1029928260385464
Energy: 1.0297881660982124
Energy: 1.1029928260397952
Energy: 1.0297881660832262
Energy: 1.1029928260402635
Energy: 0.9746096849076196
Energy: 1.112523751073746
Energy: 0.9746096849183128
Energy: 1.112523751091308
Energy: 0.9746096849162053
Energy: 1.1125237510908395
Energy: 1.1074217912404374
Energy: 1.1329669136742326
Energy: 1.107421791245589
Energy: 1.1329669136579195
Energy: 1.1074217912498818
Energy: 1.1329669136618221
Energy: 1.0667428564501642
Energy: 1.0447994516107681
Energy: 1.0185781428368332
Energy: 1.0447994516231787
Energy: 1.0667428564668675
Energy: 1.044799451624037
Energy: 1.0663680934063942
Energy: 1.029027911346838
Energy: 1.0198208611639432
Energy: 1.0290279113558922
Energy: 1.0663680934124042
Energy: 1.0290279113515994
Energy: 1.1778280386452045
Energy: 1.0290453177852745
Energy: 1.0418252333651852
Energy: 1.0290453177826988
Energy: 1.1778280386598003
Energy: 1.0290453177822305
Energy: 0.9752871915815762
Energy: 1.092753667581833
Energy: 0.9755409660288336
Energy: 1.0927346413073336
Energy: 0.9752871915786102
Energy: 1.0926233863525103
Energy: 1.013002606873454
Energy: 1.0384331144953654
Energy: 1.0130026068636193
Energy: 1.0384331144721834
Energy: 1.0130026068640094
Energy: 1.0384331144743693
Energy: 1.0933607668733736
Energy: 1.064493430794187
Energy: 1.093360766875481
Energy: 1.0644934307860694
Energy: 1.0933607668746224
Energy: 1.064493430788255
Energy: 1.0291761545497353
Energy: 1.181690093040954
Energy: 1.0291761545600382
Energy: 1.1816900930387684
Energy: 1.029176154559648
Energy: 1.1816900930379097
Energy: 1.0125850116642792
Energy: 1.0187217651976714
Energy: 1.0125850116638109
Energy: 1.018721765196813
Energy: 1.0125850116634207
Energy: 1.0187217651972034
Energy: 1.1154441058255329
Energy: 0.9870915523468942
Energy: 1.1154441058071125
Energy: 0.9870915523353423
Energy: 1.1154441058023512
Energy: 0.9870915523358106
Energy: 1.0049923010741126
Energy: 0.9966106840351102
Energy: 1.0049923010788737
Energy: 0.9966106840166117
Energy: 1.0049923010908937
Energy: 0.9966106840179387
Energy: 0.9759362800892608
Energy: 1.103596015094528
Energy: 0.9759362800866852
Energy: 1.1035960151022552
Energy: 0.9759362800832508
Energy: 1.1035960151013968
Energy: 1.098860599782086
Energy: 1.0086275191072387
Energy: 1.098860599789423
Energy: 1.0086275191111413
Energy: 1.0988605997966818
Energy: 1.008627519113639
Energy: 1.045369413323738
Energy: 1.0258438267671408
Energy: 1.0453694133280307
Energy: 1.0258438267769754
Energy: 1.045369413323738
Energy: 1.0258438267757266
Energy: 1.1202663125788448
Energy: 1.039422336920974
Energy: 1.1202663125775958
Energy: 1.039422336897402
Energy: 1.1202663125801715
Energy: 1.0394223368978703
Energy: 1.007515623867777
Energy: 1.009870385402198
Energy: 1.0075156238746457
Energy: 1.0098703853940023
Energy: 1.007515623869026
Energy: 1.0098703853948612
Energy: 1.199849028413532
Energy: 1.1102717782800957
Energy: 1.1998619714294916
Energy: 1.1102717782886815
Energy: 1.1998490284178247
Energy: 1.1102717782886815
Energy: 0.9753817420733
Energy: 1.1339414156080485
Energy: 0.9753831936684542
Energy: 1.1339414156063312
Energy: 0.9753817420629969
Energy: 1.1339414156080485
Energy: 1.0048268113740149
Energy: 0.9975658587047269
Energy: 1.0048268113709706
Energy: 0.9975658587064441
Energy: 1.0048268113705805
Energy: 0.9975658587064441

minimum gb energy = 0.9567476835458074 eV
minimum distance =  2.27075776317608 Angstroms
sigma value = 57


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

Energy: 1.0134611257115766
Energy: 0.9179046190644812
Energy: 1.0134611257101784
Energy: 0.9179046190651801
Energy: 1.0134611257122754
Energy: 0.9179046190658791
Energy: 0.9181954763294008
Energy: 0.9045838459288001
Energy: 0.9181954763266048
Energy: 0.9045838459294994
Energy: 0.9181954763252068
Energy: 0.9045838459288001
Energy: 0.9889623673339619
Energy: 0.9816395821149961
Energy: 0.9889623673290691
Energy: 0.981639582115695
Energy: 0.9889623673304669
Energy: 0.9816395821149961
Energy: 0.8777816530675905
Energy: 1.0140305665974931
Energy: 0.8777816530647945
Energy: 1.014030566598192
Energy: 0.8777816530689884
Energy: 1.0140305665974931
Energy: 0.9194098407146531
Energy: 0.8936586299229575
Energy: 0.9194098407153523
Energy: 0.8936586299229575
Energy: 0.9194098407132552
Energy: 0.8936586299222584
Energy: 1.0239489327434461
Energy: 0.9036470831487129
Energy: 1.0239489327441451
Energy: 0.903647083148014
Energy: 1.0239489327427471
Energy: 0.9036470831494119
Energy: 0.8668487742991856
Energy: 0.9760787635952057
Energy: 0.8668487742977876
Energy: 0.9760787635952057
Energy: 0.8668487742984866
Energy: 0.9760787635945067
Energy: 1.046388537557711
Energy: 0.9425767932409931
Energy: 1.0463885375535171
Energy: 0.9425767932402942
Energy: 1.0463885375563131
Energy: 0.9425767932395951
Energy: 0.9164902338093142
Energy: 0.9055421361135482
Energy: 0.9164902338093142
Energy: 0.9055421361121501
Energy: 0.916490233808615
Energy: 0.9055421361128491
Energy: 0.9260489615826483
Energy: 0.9315243428416007
Energy: 0.9260489615861432
Energy: 0.9315243428409017
Energy: 0.9260489615819493
Energy: 0.9315243428416007
Energy: 0.8608152319095245
Energy: 1.0420753771943232
Energy: 0.8608152319102235
Energy: 1.0420753771873332
Energy: 0.8608152319088254
Energy: 1.0420753771866342
Energy: 0.964843068708655
Energy: 0.8693119075476665
Energy: 0.9648430687072571
Energy: 0.8693119075455694
Energy: 0.964843068708655
Energy: 0.8693119075469676
Energy: 0.922208237134172
Energy: 0.9907023159999204
Energy: 0.922208237133473
Energy: 0.9907023160006193
Energy: 0.9222082371348711
Energy: 0.9907023159999204
Energy: 0.9216371229993382
Energy: 0.955391961178655
Energy: 0.9216371229972413
Energy: 0.9553919611772569
Energy: 0.9216371229979403
Energy: 0.9553919611800531
Energy: 1.0336756048021953
Energy: 0.9176766598747114
Energy: 1.033675604802894
Energy: 0.9176766598663234
Energy: 1.033675604802894
Energy: 0.9176766598663234
Energy: 0.9217926173152045
Energy: 0.9167541663495976
Energy: 0.9217926173166023
Energy: 0.9167541663502966
Energy: 0.9217926173166023
Energy: 0.9167541663495976
Energy: 0.9497698050422801
Energy: 1.0347205465070706
Energy: 0.949769805041581
Energy: 1.0347205465070706
Energy: 0.949769805043678
Energy: 1.0347205465070706
Energy: 0.9818061433692046
Energy: 1.001418222848981
Energy: 0.9818061433692046
Energy: 1.0014182228482817
Energy: 0.9818061433768935
Energy: 1.001418222848981
Energy: 0.8895716395318358
Energy: 0.9781394588440193
Energy: 0.8895716395318358
Energy: 0.9781394588510092
Energy: 0.8895716395304377
Energy: 0.9781394588482133
Energy: 0.8823356421782271
Energy: 1.0105293694187385
Energy: 0.882335642177528
Energy: 1.0105293694180393
Energy: 0.8823356421782271
Energy: 1.0105293694194373
Energy: 1.0105677036738336
Energy: 0.971666567679711
Energy: 1.0105677036759306
Energy: 0.971666567679012
Energy: 1.0105677036745329
Energy: 0.971666567679711
Energy: 0.8628193779049298
Energy: 0.9794858437914934
Energy: 0.8628193779035317
Energy: 0.9794858437879984
Energy: 0.8628193779028328
Energy: 0.9794858437893963
Energy: 0.9455278520055627
Energy: 0.9634100562408058
Energy: 0.9455278520076597
Energy: 0.9634100562408058
Energy: 0.9455278520062617
Energy: 0.963410056241505
Energy: 0.9421072841780967
Energy: 1.1851087525329855
Energy: 0.942107284171107
Energy: 1.1851087525336845
Energy: 0.9421072841746019
Energy: 1.1851087525420723
Energy: 0.9427964006699073
Energy: 1.151698642300828
Energy: 0.9427964006685094
Energy: 1.1516986422994298
Energy: 0.9427964006685094
Energy: 1.151698642300828
Energy: 0.9192107087703688
Energy: 0.9622417518277537
Energy: 0.9192107087675728
Energy: 0.9622417518270545
Energy: 0.9192107087703688
Energy: 0.9622417518263556
Energy: 0.8744767333512699
Energy: 0.9776641025225876
Energy: 0.8744767333491728
Energy: 0.9776641025218886
Energy: 0.8744767333498717
Energy: 0.9776641025176946

minimum gb energy = 0.8608152319088254 eV
minimum distance =  2.28305603491633 Angstroms
sigma value = 43


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

Energy: 0.9874150694478367
Energy: 0.8222574468931697
Energy: 0.9874150694483462
Energy: 0.8222574468931697
Energy: 0.9874150694478367
Energy: 0.8222574468931697
Energy: 0.8969665524111187
Energy: 0.8343045175157661
Energy: 0.8969665524095907
Energy: 0.8343045175152567
Energy: 0.8969665524121372
Energy: 0.8343045175152567
Energy: 0.9085312450195212
Energy: 0.8977365975028457
Energy: 0.9085312450215584
Energy: 0.8977365975028457
Energy: 0.9085312450205397
Energy: 0.8977365975038643
Energy: 0.9267278076441525
Energy: 0.8675010378303474
Energy: 0.9267278076436434
Energy: 0.8675010378308565
Energy: 0.926727807643134
Energy: 0.8675010378303474
Energy: 0.8874068764660006
Energy: 0.7940229590779748
Energy: 0.8874068764670191
Energy: 0.7940229590784841
Energy: 0.887406876468547
Energy: 0.7940229590779748
Energy: 0.8548190665491138
Energy: 0.8071308111461711
Energy: 0.8548190665526788
Energy: 0.807130811145662
Energy: 0.8548190665526788
Energy: 0.8071308111451526
Energy: 0.8211538662420519
Energy: 0.846754906935594
Energy: 0.821153866244089
Energy: 0.8467549069325382
Energy: 0.8211538662486727
Energy: 0.8467549069340661
Energy: 1.0910977883546078
Energy: 0.7817714803863534
Energy: 1.0910977883556265
Energy: 0.781771480385844
Energy: 1.0910977883576636
Energy: 0.7817714803863534
Energy: 0.818311341945202
Energy: 0.7965339539134799
Energy: 0.8183113419457112
Energy: 0.7965339539134799
Energy: 0.8183113419457112
Energy: 0.7965339539129707
Energy: 0.8171735144294764
Energy: 0.8045518913942836
Energy: 0.8171735144315135
Energy: 0.8045518913937744
Energy: 0.8171735144299855
Energy: 0.804551891391228
Energy: 0.9713299569360274
Energy: 0.8734783034391284
Energy: 0.9713299569339903
Energy: 0.8734783034391284
Energy: 0.9713299569360274
Energy: 0.8734783034396376
Energy: 0.7722818399519541
Energy: 0.7983094234084037
Energy: 0.7722818399504263
Energy: 0.7983094234099316
Energy: 0.7722818399534357
Energy: 0.7983094234078945
Energy: 0.8150606940422737
Energy: 0.7616764326663421
Energy: 0.8150606940402365
Energy: 0.7616764326658328
Energy: 0.8150606940443108
Energy: 0.7616764326663421
Energy: 0.8976330503193383
Energy: 0.8777850098265664
Energy: 0.8976330503193383
Energy: 0.8777850098275849
Energy: 0.897633050318829
Energy: 0.8777850098265664
Energy: 0.8046419506165384
Energy: 0.7953533426342397
Energy: 0.8046419506180663
Energy: 0.7953533426357677
Energy: 0.804641950619085
Energy: 0.795353342634749
Energy: 0.8424195277643123
Energy: 0.835554412888621
Energy: 0.8424195277622751
Energy: 0.8355544128891301
Energy: 0.8424195277653308
Energy: 0.8355544128896395
Energy: 0.8172242500756779
Energy: 0.8730445735132242
Energy: 0.8172242500782244
Energy: 0.8730445735157707
Energy: 0.817224250079243
Energy: 0.8730445735147522
Energy: 0.8296407960079889
Energy: 0.7956316018357293
Energy: 0.8296407960095168
Energy: 0.7956316018357293
Energy: 0.8296407960069704
Energy: 0.7956316018357293
Energy: 0.8091198686573707
Energy: 0.8886082871175437
Energy: 0.8091198686568616
Energy: 0.8886082871175437
Energy: 0.8091198686588987
Energy: 0.8886082871175437
Energy: 0.840129914522073
Energy: 0.8728377856762952
Energy: 0.8401299145215636
Energy: 0.8728377856762952
Energy: 0.8401299145230915
Energy: 0.8728377856752767
Energy: 0.8877239878340404
Energy: 0.832840536277523
Energy: 0.8877239878320032
Energy: 0.832840536277523
Energy: 0.8877239878340404
Energy: 0.8328405362765043
Energy: 0.8312609902420456
Energy: 0.8216637057472277
Energy: 0.8312609902394993
Energy: 0.8216637057487556
Energy: 0.8312609902394993
Energy: 0.8216637057482462
Energy: 0.8565342767234813
Energy: 0.8872369489894271
Energy: 0.8565342767224627
Energy: 0.8872369489904457
Energy: 0.8565342767209347
Energy: 0.8872369489909551
Energy: 0.8533585676168847
Energy: 0.8110441206092227
Energy: 0.853358567614338
Energy: 0.8110441206071856
Energy: 0.8533585676163752
Energy: 0.8110441206092227
Energy: 0.8483965384853115
Energy: 0.780479171405494
Energy: 0.8483965384873486
Energy: 0.780479171405494
Energy: 0.8483965384873486
Energy: 0.780479171405494
Energy: 0.7900551626747977
Energy: 0.865723983639893
Energy: 0.7900551626747977
Energy: 0.865723983639893
Energy: 0.7900551626737792
Energy: 0.865723983639893
Energy: 0.8638155714163035
Energy: 0.8823946888045452
Energy: 0.8638155714163035
Energy: 0.8823946888040357
Energy: 0.8638155714178315
Energy: 0.8823946888040357
Energy: 0.7295240665972107
Energy: 0.8656416473195797
Energy: 0.7295240665967014
Energy: 0.8656416473195797
Energy: 0.72952406659772
Energy: 0.8656416473195797
Energy: 0.7881804425460709
Energy: 0.8206550317729386
Energy: 0.7881804425440337
Energy: 0.820655031773448
Energy: 0.7881804425450524
Energy: 0.8206550317729386
Energy: 0.8001969895596796
Energy: 0.735272359623495
Energy: 0.8001969895596796
Energy: 0.7352723596224764
Energy: 0.8001969895591703
Energy: 0.735272359623495
Energy: 0.7523584135284009
Energy: 1.0777075492160817
Energy: 0.7523584135299287
Energy: 1.0777075492160817
Energy: 0.7523584135289102
Energy: 1.0777075492176098
Energy: 0.7889228095672216
Energy: 0.790520219868758
Energy: 0.7889228095667123
Energy: 0.790520219868758
Energy: 0.7889228095667123
Energy: 0.7905202198692672
Energy: 0.7683907049814394
Energy: 0.7807460673930687
Energy: 0.7683907049819487
Energy: 0.7807460673925595
Energy: 0.7683907049819487
Energy: 0.7807460673930687
Energy: 0.9037964708087238
Energy: 0.7888344364722772
Energy: 0.9037964708122889
Energy: 0.7888344364839908
Energy: 0.9037964708122889
Energy: 0.7888344364651472
Energy: 0.7899136783332319
Energy: 0.7627332649342529
Energy: 0.7899136783337412
Energy: 0.7627332649342529
Energy: 0.7899136783322133
Energy: 0.7627332649347621
Energy: 0.7128997124211601
Energy: 0.784037346375079
Energy: 0.7128997124206509
Energy: 0.7840373463725325
Energy: 0.712899712422688
Energy: 0.784037346375079

minimum gb energy = 0.7128997124206509 eV
minimum distance =  2.27784220865807 Angstroms
sigma value = 81


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

Energy: 0.06177231095656643
Energy: 0.10974898759123011
Energy: 0.06177231095656643
Energy: 0.10974898758748766
Energy: 0.06177231095656643
Energy: 0.10974898758935889
Energy: 0.8121839987512045
Energy: 0.06300331760088954
Energy: 0.8121839987512045
Energy: 0.06300326375755144
Energy: 0.8121839987437621
Energy: 0.06300328108871638
Energy: 0.812190147843151
Energy: 0.06292537449105293
Energy: 0.8121901478412799
Energy: 0.0629268159348047
Energy: 0.8121901478412799
Energy: 0.06291417588595068
Energy: 0.06177231095656643
Energy: 0.10974898758748766
Energy: 0.06177231095656643
Energy: 0.10974898758935889
Energy: 0.06177231095656643
Energy: 0.10974898758748766
Energy: 0.8121839987475046
Energy: 0.06300332495905296
Energy: 0.8121839987549471
Energy: 0.06300326860375212
Energy: 0.8121839987530757
Energy: 0.06300327493320414
Energy: 0.812190147843151
Energy: 0.06293610141201925
Energy: 0.812190147843151
Energy: 0.06293318594014963
Energy: 0.812190147843151
Energy: 0.06293084757591856
Energy: 0.06177231095656643
Energy: 0.10974898758561641
Energy: 0.06177231095656643
Energy: 0.10974898758748766
Energy: 0.06177231095656643
Energy: 0.10974898758748766
Energy: 0.8121839987530757
Energy: 0.06300330351861365
Energy: 0.8121839987549471
Energy: 0.06300334616005923
Energy: 0.8121839987530757
Energy: 0.06300330459223467
Energy: 0.8121901478412799
Energy: 0.0629360667029085
Energy: 0.8121901478450223
Energy: 0.06293842482236173
Energy: 0.812190147843151
Energy: 0.06293455147168676
Energy: 0.06177231095656643
Energy: 0.10974898758561641
Energy: 0.06177231095656643
Energy: 0.10974898758374518
Energy: 0.06177231095656643
Energy: 0.10974898758561641

minimum gb energy = 0.06177231095656643 eV
minimum distance =  2.46322215943084 Angstroms
sigma value = 3


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

Energy: 0.8970281723435741
Energy: 0.7272873133176075
Energy: 0.8970281723435741
Energy: 0.7272873133181674
Energy: 0.8970281723452541
Energy: 0.7272873133181674
Energy: 0.7553384970401718
Energy: 0.745396605451298
Energy: 0.7553384970424117
Energy: 0.745396605451298
Energy: 0.7553384970401718
Energy: 0.745396605451298
Energy: 0.7645589347950293
Energy: 0.7425424433778943
Energy: 0.7645589347944693
Energy: 0.7425424433773342
Energy: 0.7645589347939095
Energy: 0.7425424433773342
Energy: 0.8297521043977103
Energy: 0.7410465453102689
Energy: 0.8297521043982703
Energy: 0.7410465453102689
Energy: 0.8297521043993901
Energy: 0.7410465453091489
Energy: 0.6564628909495874
Energy: 0.7486512960169609
Energy: 0.6564628909501474
Energy: 0.7486512960169609
Energy: 0.6564628909490274
Energy: 0.7486512960164008
Energy: 0.7678418073644873
Energy: 0.7622614025035015
Energy: 0.7678418073656071
Energy: 0.7622614025046214
Energy: 0.7678418073639274
Energy: 0.7622614025035015
Energy: 0.7605390143266406
Energy: 0.7629768893227085
Energy: 0.7605390143266406
Energy: 0.7629768893137998
Energy: 0.7605390143283205
Energy: 0.7629768893238285
Energy: 0.6517764044995185
Energy: 0.7486257149778722
Energy: 0.6517764044989586
Energy: 0.748625714981792
Energy: 0.6517764044983986
Energy: 0.7486257149767522
Energy: 0.7826455146999749
Energy: 0.768227065840003
Energy: 0.7826455146994149
Energy: 0.768227065840563
Energy: 0.7826455146988549
Energy: 0.768227065840563
Energy: 0.7267231782016688
Energy: 0.7064709462780716
Energy: 0.72672317817311
Energy: 0.7064709462791916
Energy: 0.7267231781820698
Energy: 0.7064709462763916
Energy: 0.6997796516536428
Energy: 0.7491193960197058
Energy: 0.6997796516536428
Energy: 0.7491193960208258
Energy: 0.6997796516525228
Energy: 0.7491193960202658
Energy: 0.8041394265052402
Energy: 0.8110911665959311
Energy: 0.8041394265069202
Energy: 0.811091166596491
Energy: 0.8041394265058002
Energy: 0.8110911665959311
Energy: 0.754417049899968
Energy: 0.6625001017563213
Energy: 0.7544170498977282
Energy: 0.6625001017552015
Energy: 0.7544170498994079
Energy: 0.6625001017557614
Energy: 0.7327415225414193
Energy: 0.7845653920073368
Energy: 0.7327415225397395
Energy: 0.784565392004537
Energy: 0.7327415225380596
Energy: 0.7845653920067769
Energy: 0.7602880132806147
Energy: 0.7850984412996697
Energy: 0.7602880132794949
Energy: 0.7850984412985497
Energy: 0.7602880132811747
Energy: 0.7850984412996697
Energy: 0.7466379771920293
Energy: 0.6548379369464306
Energy: 0.7466379771920293
Energy: 0.6548379369458706
Energy: 0.7466379771909094
Energy: 0.6548379369475505
Energy: 0.7559572942993494
Energy: 0.83580888843683
Energy: 0.7559572942993494
Energy: 0.83580888843627
Energy: 0.7559572942976694
Energy: 0.83580888843627
Energy: 0.745617852773659
Energy: 0.7522055768028909
Energy: 0.7456178527758989
Energy: 0.752205576800091
Energy: 0.745617852773659
Energy: 0.7522055767989712
Energy: 0.7612741247755862
Energy: 0.7276602818280175
Energy: 0.7612741247744663
Energy: 0.7276602818274575
Energy: 0.7612741247761462
Energy: 0.7276602818280175
Energy: 0.7369284401164028
Energy: 0.8853830165883442
Energy: 0.7369284401197627
Energy: 0.8853830165877842
Energy: 0.7369284401225624
Energy: 0.8853830165883442
Energy: 0.7848242783736208
Energy: 0.762086855116516
Energy: 0.784824278370261
Energy: 0.7620868551142761
Energy: 0.7848242783719409
Energy: 0.7620868551159559
Energy: 0.7883935386022985
Energy: 0.735710952801625
Energy: 0.7883935386011786
Energy: 0.735710952802745
Energy: 0.7883935386028585
Energy: 0.7357109528055449
Energy: 0.769769047429791
Energy: 0.7466173034570607
Energy: 0.7697690474359508
Energy: 0.7466173034576207
Energy: 0.7697690474365108
Energy: 0.7466173034581807
Energy: 0.7756328631939998
Energy: 0.7286541418745985
Energy: 0.7756328631962397
Energy: 0.7286541418740387
Energy: 0.7756328631945597
Energy: 0.7286541418740387
Energy: 0.7576407993089298
Energy: 0.7691454549737589
Energy: 0.7576407993100497
Energy: 0.769145454972639
Energy: 0.7576407993089298
Energy: 0.7691454549743187
Energy: 0.754995430021916
Energy: 0.7683997894750484
Energy: 0.754995430022476
Energy: 0.7683997894750484
Energy: 0.754995430021916
Energy: 0.7683997894744885
Energy: 0.8573260478175275
Energy: 0.6550308119756733
Energy: 0.8573260478158476
Energy: 0.6550308119756733
Energy: 0.8573260478169675
Energy: 0.6550308119767934
Energy: 0.7585205973157644
Energy: 0.7882193638163905
Energy: 0.7585205973140845
Energy: 0.7882193638163905
Energy: 0.7585205973180043
Energy: 0.7882193638169503
Energy: 0.7342458703881346
Energy: 0.7491297437744512
Energy: 0.7342458703875746
Energy: 0.7491297437750112
Energy: 0.7342458703886946
Energy: 0.7491297437778109
Energy: 0.8795689035653675
Energy: 0.7044226493872223
Energy: 0.8795689035670474
Energy: 0.7044226493922621
Energy: 0.8795689035664874
Energy: 0.7044226493799427
Energy: 0.7719002696470598
Energy: 0.7832464784196893
Energy: 0.7719002696504196
Energy: 0.7832464784191295
Energy: 0.7719002696476198
Energy: 0.7832464784196893
Energy: 0.7015306334995007
Energy: 0.7340980783680898
Energy: 0.7015306335006205
Energy: 0.7340980783680898
Energy: 0.7015306335006205
Energy: 0.7340980783680898
Energy: 0.7798267788354052
Energy: 0.7588559216353933
Energy: 0.7798267788376452
Energy: 0.7588559216342735
Energy: 0.7798267788348453
Energy: 0.7588559216376333

minimum gb energy = 0.6517764044983986 eV
minimum distance =  2.30796332650892 Angstroms
sigma value = 67


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

Energy: 1.0229629441841026
Energy: 0.9402363845859797
Energy: 1.0229629441833046
Energy: 0.9402363845859797
Energy: 1.0229629441833046
Energy: 0.9402363845859797
Energy: 0.9357108489025043
Energy: 0.9397700769097355
Energy: 0.9357108489017065
Energy: 0.9397700769097355
Energy: 0.9357108489009085
Energy: 0.9397700769097355
Energy: 0.9793599033856606
Energy: 0.9630360632831376
Energy: 0.9793599033888523
Energy: 0.9630360632831376
Energy: 0.9793599033864585
Energy: 0.9630360632839354
Energy: 0.9855796362101611
Energy: 0.9562336440981264
Energy: 0.9855796362061717
Energy: 0.9562336440965307
Energy: 0.9855796362077676
Energy: 0.9562336440957329
Energy: 0.8465424825063872
Energy: 0.9100989396687054
Energy: 0.8465424825087808
Energy: 0.9100989396687054
Energy: 0.846542482507983
Energy: 0.9100989396695032
Energy: 0.9824859976657163
Energy: 0.9593333702371342
Energy: 0.9824859976657163
Energy: 0.9593333702371342
Energy: 0.9824859976657163
Energy: 0.9593333702371342
Energy: 0.9147765084683944
Energy: 0.9229121523975578
Energy: 0.9147765084675965
Energy: 0.9229121523975578
Energy: 0.9147765084667986
Energy: 0.9229121523943663
Energy: 0.9207062870537465
Energy: 0.8985465411224812
Energy: 0.9207062870521506
Energy: 0.8985465411216832
Energy: 0.9207062870529485
Energy: 0.8985465411224812
Energy: 1.0111420398700557
Energy: 1.023682272895631
Energy: 1.011142039866864
Energy: 1.0236822728964288
Energy: 1.0111420398692579
Energy: 1.023682272895631
Energy: 0.9490119953827286
Energy: 0.8648800560208982
Energy: 0.9490119953803348
Energy: 0.8648800560224942
Energy: 0.949011995379537
Energy: 0.8648800560216964
Energy: 0.980729701140377
Energy: 0.9686823669483619
Energy: 0.9807297011363876
Energy: 0.9686823669475639
Energy: 0.9807297011363876
Energy: 0.9686823669475639
Energy: 0.9211115416210732
Energy: 0.9692086240293282
Energy: 0.9211115416186795
Energy: 0.9692086240293282
Energy: 0.9211115416202754
Energy: 0.9692086240277323
Energy: 0.9479889145363884
Energy: 0.9178583041863582
Energy: 0.9479889145403778
Energy: 0.9178583041911457
Energy: 0.9479889145363884
Energy: 0.9178583041895498
Energy: 0.9347847546755881
Energy: 0.9714639966582435
Energy: 0.9347847546739924
Energy: 0.9714639966590414
Energy: 0.9347847546755881
Energy: 0.9714639966590414
Energy: 0.9296857245011556
Energy: 0.924814081803022
Energy: 0.9296857245003578
Energy: 0.9248140818038201
Energy: 0.9296857245019535
Energy: 0.924814081804618
Energy: 0.9816627328990416
Energy: 0.9395289103839612
Energy: 0.9816627328990416
Energy: 0.9395289103831633
Energy: 0.9816627329006373
Energy: 0.9395289103831633
Energy: 0.9727235995046183
Energy: 0.9732942699386862
Energy: 0.9727235995038206
Energy: 0.9732942699386862
Energy: 0.9727235995062141
Energy: 0.9732942699386862
Energy: 0.9676512316626921
Energy: 0.9089683486758265
Energy: 0.9676512316563088
Energy: 0.9089683486750286
Energy: 0.9676512316587025
Energy: 0.9089683486758265
Energy: 0.9628831974027355
Energy: 0.9862954655791238
Energy: 0.962883197397948
Energy: 0.986295465578326
Energy: 0.9628831974019374
Energy: 0.986295465578326
Energy: 1.1266528831121723
Energy: 0.9377090469891036
Energy: 1.1266528831105762
Energy: 0.9377090469867101
Energy: 1.1266528831081828
Energy: 0.9377090469875078
Energy: 1.0054220082809455
Energy: 0.9192714631762132
Energy: 1.0054220082833392
Energy: 0.9192714631762132
Energy: 1.0054220082833392
Energy: 0.9192714631762132
Energy: 0.9909117877484794
Energy: 1.0276784115718673
Energy: 0.9909117877492774
Energy: 1.0276784115718673
Energy: 0.9909117877492774
Energy: 1.0276784115742612
Energy: 0.9138687668467799
Energy: 0.96683930935715
Energy: 0.9138687668459821
Energy: 0.96683930935715
Energy: 0.9138687668475778
Energy: 0.9668393093563521

minimum gb energy = 0.8465424825063872 eV
minimum distance =  2.31004354726433 Angstroms
sigma value = 33


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

Energy: 1.142852758475951
Energy: 1.0490003309401155
Energy: 1.1428527584764572
Energy: 1.0490003309401155
Energy: 1.142852758475951
Energy: 1.0490003309396092
Energy: 1.0585962773012356
Energy: 1.0722324238405467
Energy: 1.0585962773012356
Energy: 1.0722324238400407
Energy: 1.0585962773007294
Energy: 1.072232423841053
Energy: 1.1051952085974732
Energy: 1.0817169622502665
Energy: 1.105195208596967
Energy: 1.0817169622512788
Energy: 1.105195208596967
Energy: 1.0817169622507725
Energy: 1.1070286167611587
Energy: 1.094955378758221
Energy: 1.1070286167606525
Energy: 1.0949553787597395
Energy: 1.1070286167611587
Energy: 1.094955378758221
Energy: 1.0620639416363644
Energy: 1.0699218214498465
Energy: 1.0620639416368705
Energy: 1.0699218214498465
Energy: 1.0620639416368705
Energy: 1.0699218214493404
Energy: 1.1754581073210453
Energy: 1.1656291561726533
Energy: 1.175458107320033
Energy: 1.1656291561726533
Energy: 1.1754581073185144
Energy: 1.1656291561716412
Energy: 1.0511773467907135
Energy: 1.0452690786203436
Energy: 1.0511773467912198
Energy: 1.0452690786198375
Energy: 1.051177346792232
Energy: 1.0452690786198375
Energy: 1.121038174157844
Energy: 1.1009263977392885
Energy: 1.1210381741593622
Energy: 1.1009263977387824
Energy: 1.12103817415835
Energy: 1.1009263977392885
Energy: 1.0731670808989986
Energy: 1.1224259727118804
Energy: 1.0731670809020355
Energy: 1.1224259727123869
Energy: 1.0731670808989986
Energy: 1.1224259727113743
Energy: 1.1278503913903302
Energy: 1.0443842456501653
Energy: 1.1278503913913422
Energy: 1.0443842456486465
Energy: 1.1278503913913422
Energy: 1.0443842456506713
Energy: 1.1142834687822902
Energy: 1.0766704190500975
Energy: 1.1142834687827965
Energy: 1.0766704190506038
Energy: 1.1142834687863399
Energy: 1.0766704190490852
Energy: 1.0517362788292557
Energy: 1.0595510463287283
Energy: 1.051736278826725
Energy: 1.0595510463287283
Energy: 1.0517362788287496
Energy: 1.0595510463287283
Energy: 1.1266804003214215
Energy: 1.0547806956805665
Energy: 1.1266804003229403
Energy: 1.0547806956800605
Energy: 1.1266804003214215
Energy: 1.0547806956805665
Energy: 1.055896809403064
Energy: 1.0843695505114774
Energy: 1.0558968094045829
Energy: 1.084369550509959
Energy: 1.0558968094045829
Energy: 1.0843695505104651
Energy: 1.0702455252469945
Energy: 1.0699769143485476
Energy: 1.0702455252459822
Energy: 1.0699769143490538
Energy: 1.0702455252469945
Energy: 1.0699769143490538
Energy: 1.1121252499918275
Energy: 1.1128456062605754
Energy: 1.1121252499933458
Energy: 1.1128456062615877
Energy: 1.1121252499948644
Energy: 1.1128456062636123
Energy: 1.0479863839381236
Energy: 1.0825884765214517
Energy: 1.0479863839360992
Energy: 1.0825884765214517
Energy: 1.0479863839371115
Energy: 1.0825884765214517
Energy: 1.1381371078646745
Energy: 1.16191714991036
Energy: 1.1381371078651807
Energy: 1.16191714991036
Energy: 1.1381371078641684
Energy: 1.1619171499098537
Energy: 1.037272773002455
Energy: 1.1319845621223275
Energy: 1.0372727730019486
Energy: 1.1319845621218212
Energy: 1.0372727730019486
Energy: 1.1319845621218212
Energy: 1.1428840745980577
Energy: 1.0833061243728204
Energy: 1.1428840745970454
Energy: 1.0833061243728204
Energy: 1.1428840745965387
Energy: 1.0833061243733264
Energy: 1.0993676483540806
Energy: 1.1157429584350012
Energy: 1.099367648355093
Energy: 1.115742958434495
Energy: 1.0993676483540806
Energy: 1.1157429584355074
Energy: 1.0687565793200924
Energy: 1.042753429470281
Energy: 1.06875657931908
Energy: 1.0427534294697747
Energy: 1.0687565793195863
Energy: 1.042753429470281
Energy: 1.107410013129869
Energy: 1.0767072912788656
Energy: 1.107410013129869
Energy: 1.0767072912788656
Energy: 1.1074100131334121
Energy: 1.0767072912778535
Energy: 1.1217787812317688
Energy: 1.052811861165815
Energy: 1.1217787812327813
Energy: 1.0528118611663215
Energy: 1.1217787812307565
Energy: 1.052811861165815
Energy: 1.0488098270297137
Energy: 1.0524656822811804
Energy: 1.0488098270302197
Energy: 1.0524656822816867
Energy: 1.0488098270292074
Energy: 1.0524656822811804
Energy: 1.1108105298901783
Energy: 1.10269742976448
Energy: 1.1108105298911906
Energy: 1.10269742976448
Energy: 1.1108105298911906
Energy: 1.10269742976448
Energy: 1.050793600105765
Energy: 1.0431004071459884
Energy: 1.0507936001052587
Energy: 1.043100407145482
Energy: 1.050793600106271
Energy: 1.0431004071464944
Energy: 1.1013286825001987
Energy: 1.1612446532617313
Energy: 1.1013286824986799
Energy: 1.1612446532612253
Energy: 1.1013286824996924
Energy: 1.1612446532617313
Energy: 1.068623451578823
Energy: 1.1363724396301762
Energy: 1.0686234515773045
Energy: 1.13637243962967
Energy: 1.0686234515773045
Energy: 1.1363724396306825
Energy: 1.0370079155767478
Energy: 1.0432336430458133
Energy: 1.0370079155762415
Energy: 1.0432336430453073
Energy: 1.0370079155777598
Energy: 1.043233643044801
Energy: 1.1750702913187272
Energy: 1.1601533948133809
Energy: 1.1750702913187272
Energy: 1.1601533948138871
Energy: 1.175070291318221
Energy: 1.1601533948143932
Energy: 1.065553166642137
Energy: 1.0827262374518167
Energy: 1.0655531666436555
Energy: 1.0827262374523228
Energy: 1.065553166642137
Energy: 1.0827262374523228
Energy: 1.1054394438280408
Energy: 1.112491203692053
Energy: 1.1054394438290531
Energy: 1.1124912036895223
Energy: 1.1054394438290531
Energy: 1.1124912036910406
Energy: 1.0796929445278154
Energy: 1.0712245155304374
Energy: 1.0796929445242722
Energy: 1.0712245155309434
Energy: 1.079692944526297
Energy: 1.0712245155304374
Energy: 1.0527493836283528
Energy: 1.082963175490318
Energy: 1.0527493836293649
Energy: 1.0829631754898117
Energy: 1.052749383626834
Energy: 1.0829631754908242
Energy: 1.1529480408735495
Energy: 1.0520769249442294
Energy: 1.152948040874562
Energy: 1.0520769249447355
Energy: 1.152948040874562
Energy: 1.0520769249447355
Energy: 1.0510302006039174
Energy: 1.0692158018997244
Energy: 1.0510302006018928
Energy: 1.0692158019002305
Energy: 1.0510302006044236
Energy: 1.0692158018997244

minimum gb energy = 1.0370079155762415 eV
minimum distance =  2.30144354151775 Angstroms
sigma value = 41


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

Energy: 1.3103305699842713
Energy: 1.2937185423980866
Energy: 1.3103305699828893
Energy: 1.2937185423980866
Energy: 1.3103305699828893
Energy: 1.2937185423967048
Energy: 1.260533382096334
Energy: 1.2639085725588808
Energy: 1.260533382096334
Energy: 1.2639085725588808
Energy: 1.2605333820977158
Energy: 1.2639085725588808
Energy: 1.366607148022183
Energy: 1.2573026468923008
Energy: 1.3666071480208009
Energy: 1.2573026468923008
Energy: 1.3666071480235649
Energy: 1.2573026468923008
Energy: 1.2963254720346071
Energy: 1.3413177487601649
Energy: 1.2963254720332877
Energy: 1.341317748761547
Energy: 1.296325472031906
Energy: 1.3413177487629289
Energy: 1.343789073425403
Energy: 1.27957354406242
Energy: 1.343789073426785
Energy: 1.27957354406242
Energy: 1.343789073428167
Energy: 1.27957354406242
Energy: 1.401171319085395
Energy: 1.3531081608910116
Energy: 1.401171319085395
Energy: 1.3531081608910116
Energy: 1.4011713190840132
Energy: 1.3531081608882476
Energy: 1.2944303167684654
Energy: 1.2259205693471795
Energy: 1.2944303167684654
Energy: 1.2259205693471795
Energy: 1.2944303167684654
Energy: 1.2259205693457975
Energy: 1.3057443921092786
Energy: 1.2633748902630846
Energy: 1.3057443921106606
Energy: 1.2633748902630846
Energy: 1.3057443921092786
Energy: 1.2633748902630846
Energy: 1.2558190249007477
Energy: 1.2520666009757753
Energy: 1.2558190248993657
Energy: 1.2520666009757753
Energy: 1.2558190248993657
Energy: 1.2520666009757753
Energy: 1.2980979408475646
Energy: 1.2719435604914282
Energy: 1.2980979408475646
Energy: 1.2719435604914282
Energy: 1.2980979408475646
Energy: 1.2719435604928102
Energy: 1.2488667449786062
Energy: 1.257976626512353
Energy: 1.2488667449813704
Energy: 1.257976626513735
Energy: 1.2488667449799882
Energy: 1.257976626513735
Energy: 1.296370633854776
Energy: 1.2633770958638717
Energy: 1.296370633854776
Energy: 1.2633770958638717
Energy: 1.296370633854776
Energy: 1.2633770958638717
Energy: 1.3125356865795406
Energy: 1.3375108426982727
Energy: 1.3125356865809226
Energy: 1.3375108426982727
Energy: 1.3125356865795406
Energy: 1.3375108426996547
Energy: 1.3478807792595993
Energy: 1.263014494187805
Energy: 1.3478807792595993
Energy: 1.263014494187805
Energy: 1.3478807792595993
Energy: 1.263014494187805

minimum gb energy = 1.2259205693457975 eV
minimum distance =  2.28138812745774 Angstroms
sigma value = 11


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

Energy: 1.5205482247340185
Energy: 1.5379898892046955
Energy: 1.5205482247340185
Energy: 1.5379898892046955
Energy: 1.5205482247346254
Energy: 1.5379898892053023
Energy: 1.4449509531337694
Energy: 1.4626860037700509
Energy: 1.4449509531331621
Energy: 1.462686003770658
Energy: 1.444950953131948
Energy: 1.4626860037700509
Energy: 1.4942427587338627
Energy: 1.4504492183618223
Energy: 1.494242758724149
Energy: 1.4504492183624296
Energy: 1.494242758741755
Energy: 1.4504492183630366
Energy: 1.4719125974445961
Energy: 1.4478591552289224
Energy: 1.4719125974452032
Energy: 1.4478591552283155
Energy: 1.471912597443989
Energy: 1.4478591552283155
Energy: 1.506311414519525
Energy: 1.458532891029606
Energy: 1.506311414519525
Energy: 1.458532891029606
Energy: 1.5063114145219536
Energy: 1.458532891029606
Energy: 1.469607100369117
Energy: 1.514596913176291
Energy: 1.4696071003685096
Energy: 1.514596913176291
Energy: 1.4696071003697238
Energy: 1.514596913176291
Energy: 1.4764016569255711
Energy: 1.4763296747041181
Energy: 1.4764016569261784
Energy: 1.4763296747029038
Energy: 1.4764016569261784
Energy: 1.4763296747010826
Energy: 1.4676027609484108
Energy: 1.46867257482216
Energy: 1.4676027609478037
Energy: 1.4686725748227671
Energy: 1.4676027609490179
Energy: 1.4686725748227671
Energy: 1.4848698759451162
Energy: 1.4796365294509564
Energy: 1.4848698759469374
Energy: 1.4796365294515637
Energy: 1.4848698759463301
Energy: 1.4796365294515637
Energy: 1.44968936098826
Energy: 1.504132455269496
Energy: 1.4496893609888668
Energy: 1.5041324552725315
Energy: 1.4496893609876527
Energy: 1.504132455270103
Energy: 1.4773937015103007
Energy: 1.486695292654214
Energy: 1.4773937015085348
Energy: 1.486695292654214
Energy: 1.4773937015091416
Energy: 1.486695292654214
Energy: 1.4819972701567543
Energy: 1.484326229443301
Energy: 1.4819972701585757
Energy: 1.484326229443301
Energy: 1.4819972701579684
Energy: 1.4843262294420871
Energy: 1.472183188856775
Energy: 1.4720332386346904
Energy: 1.472183188856775
Energy: 1.4720332386346904
Energy: 1.472183188857989
Energy: 1.4720332386346904
Energy: 1.5046612825736962
Energy: 1.4693979252340168
Energy: 1.5046612825761243
Energy: 1.4693979252334097
Energy: 1.5046612825724819
Energy: 1.4693979252340168
Energy: 1.4600490119097316
Energy: 1.4745006679201325
Energy: 1.4600490119127671
Energy: 1.4745006679201325
Energy: 1.4600490119091245
Energy: 1.4745006679201325
Energy: 1.470602653916409
Energy: 1.474506924241217
Energy: 1.4706026539151946
Energy: 1.4745069242442526
Energy: 1.4706026539151946
Energy: 1.47450692424061
Energy: 1.4490178399795768
Energy: 1.4525686554717951
Energy: 1.449017839980791
Energy: 1.4525686554717951
Energy: 1.4490178399789695
Energy: 1.452568655472402
Energy: 1.4987015635719774
Energy: 1.5051998725433038
Energy: 1.4987015635731915
Energy: 1.5051998725433038
Energy: 1.4987015635725842
Energy: 1.5051998725439106
Energy: 1.4598157806882777
Energy: 1.4295008555450992
Energy: 1.4598157806870633
Energy: 1.4295008555450992
Energy: 1.459815780686456
Energy: 1.4295008555450992
Energy: 1.4779634700399327
Energy: 1.4617311126371317
Energy: 1.47796347004054
Energy: 1.4617311126365247
Energy: 1.4779634700466109
Energy: 1.4617311126365247
Energy: 1.4653661043099904
Energy: 1.4619693350251028
Energy: 1.465366104309383
Energy: 1.4619693350251028
Energy: 1.4653661043099904
Energy: 1.4619693350251028
Energy: 1.5127147129006295
Energy: 1.5016352203889172
Energy: 1.5127147128994154
Energy: 1.5016352203883099
Energy: 1.5127147129006295
Energy: 1.5016352203889172
Energy: 1.4717757177042536
Energy: 1.4508072382246076
Energy: 1.4717757177085036
Energy: 1.4508072382246076
Energy: 1.4717757177066821
Energy: 1.4508072382252144
Energy: 1.5180360256590992
Energy: 1.4652938760457326
Energy: 1.5180360256603136
Energy: 1.4652938760457326
Energy: 1.5180360256590992
Energy: 1.4652938760457326
Energy: 1.4575402140056548
Energy: 1.490982472331092
Energy: 1.4575402140050477
Energy: 1.490982472330485
Energy: 1.4575402140068692
Energy: 1.490982472330485
Energy: 1.4677033987856998
Energy: 1.4739116400590933
Energy: 1.4677033987844854
Energy: 1.4739116400590933
Energy: 1.4677033987844854
Energy: 1.4739116400590933
Energy: 1.4617364753846251
Energy: 1.5323896020590773
Energy: 1.4617364753858393
Energy: 1.5323896020596846
Energy: 1.461736475384018
Energy: 1.5323896020596846
Energy: 1.46406364932771
Energy: 1.4605961395113487
Energy: 1.4640636493271029
Energy: 1.460596139511956
Energy: 1.4640636493289243
Energy: 1.460596139511956
Energy: 1.4793289458401886
Energy: 1.4690953290955644
Energy: 1.4793289458401886
Energy: 1.4690953290961717
Energy: 1.4793289458395815
Energy: 1.4690953290955644
Energy: 1.4659917390245483
Energy: 1.4474058822957905
Energy: 1.4659917390221198
Energy: 1.4474058822951834
Energy: 1.4659917390239414
Energy: 1.4474058822957905
Energy: 1.4570023237726133
Energy: 1.5124726193323375
Energy: 1.4570023237744347
Energy: 1.5124726193335518
Energy: 1.4570023237738274
Energy: 1.5124726193317304

minimum gb energy = 1.4295008555450992 eV
minimum distance =  2.23887753125536 Angstroms
sigma value = 57


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

Energy: 1.476692794006453
Energy: 1.5188789329216021
Energy: 1.476692794006453
Energy: 1.5188789329205217
Energy: 1.476692794006453
Energy: 1.5188789329205217
Energy: 1.480571621271765
Energy: 1.5340559067720534
Energy: 1.4805716212750062
Energy: 1.5340559067731336
Energy: 1.4805716212750062
Energy: 1.5340559067720534
Energy: 1.532172411739516
Energy: 1.5075165075849095
Energy: 1.5321724117384357
Energy: 1.5075165075849095
Energy: 1.5321724117384357
Energy: 1.5075165075849095
Energy: 1.4919620595129945
Energy: 1.4867032799223876
Energy: 1.4919620595129945
Energy: 1.4867032799223876
Energy: 1.4919620595129945
Energy: 1.4867032799213074
Energy: 1.5320934209493124
Energy: 1.5075479240744838
Energy: 1.5320934209482322
Energy: 1.5075479240744838
Energy: 1.5320934209482322
Energy: 1.5075479240744838
Energy: 1.4810314872234098
Energy: 1.4968232476918115
Energy: 1.4810314872234098
Energy: 1.4968232476918115
Energy: 1.4810314872234098
Energy: 1.4968232476918115
Energy: 1.4766927940053727
Energy: 1.518878932923763
Energy: 1.476692794006453
Energy: 1.518878932924843
Energy: 1.476692794006453
Energy: 1.518878932924843
Energy: 1.480571621271765
Energy: 1.534055906770973
Energy: 1.480571621271765
Energy: 1.534055906770973
Energy: 1.480571621270685
Energy: 1.534055906770973
Energy: 1.532172411739516
Energy: 1.5075165075892312
Energy: 1.5321724117384357
Energy: 1.5075165075892312
Energy: 1.5321724117384357
Energy: 1.5075165075881507
Energy: 1.4919620595075929
Energy: 1.4867032799213074
Energy: 1.491962059508673
Energy: 1.4867032799202269
Energy: 1.491962059508673
Energy: 1.4867032799202269
Energy: 1.5320934209482322
Energy: 1.5075479240744838
Energy: 1.5320934209482322
Energy: 1.5075479240744838
Energy: 1.5320934209482322
Energy: 1.5075479240744838
Energy: 1.48103148722449
Energy: 1.4968232476950527
Energy: 1.481031487221249
Energy: 1.4968232476939722
Energy: 1.4810314872223296
Energy: 1.4968232476939722
Energy: 1.476692794006453
Energy: 1.5188789329216021
Energy: 1.4766927940053727
Energy: 1.5188789329216021
Energy: 1.4766927940053727
Energy: 1.5188789329216021
Energy: 1.4805716212728457
Energy: 1.5340559067731336
Energy: 1.4805716212728457
Energy: 1.5340559067731336
Energy: 1.480571621273926
Energy: 1.5340559067720534
Energy: 1.5321724117384357
Energy: 1.5075165075849095
Energy: 1.5321724117373554
Energy: 1.5075165075849095
Energy: 1.5321724117384357
Energy: 1.5075165075849095
Energy: 1.4919620595129945
Energy: 1.5098404774231249
Energy: 1.4919620595129945
Energy: 1.5325342316984394
Energy: 1.4919620595129945
Energy: 1.4867032799213074
Energy: 1.5320934209482322
Energy: 1.5075479240744838
Energy: 1.5320934209493124
Energy: 1.5075479240744838
Energy: 1.5320934209493124
Energy: 1.5075479240744838

minimum gb energy = 1.4766927940053727 eV
minimum distance =  2.25793034638281 Angstroms
sigma value = 9


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

Energy: 1.5825808917184547
Energy: 1.5540280396678643
Energy: 1.5825808917175728
Energy: 1.5540280396652182
Energy: 1.5825808917184547
Energy: 1.5540280396652182
Energy: 1.596955665364125
Energy: 1.553269891652049
Energy: 1.596955665361479
Energy: 1.553269891652049
Energy: 1.5969556653605967
Energy: 1.553269891652049
Energy: 1.5660960546419214
Energy: 1.5625559378229612
Energy: 1.5660960546428033
Energy: 1.5625559378220792
Energy: 1.5660960546428033
Energy: 1.5625559378229612
Energy: 1.517123312104283
Energy: 1.6675716800787996
Energy: 1.5171233121025187
Energy: 1.6675716800814462
Energy: 1.5171233121034011
Energy: 1.6675716800796818
Energy: 1.5735967755013418
Energy: 1.5483663140991242
Energy: 1.5735967755066345
Energy: 1.5483663140991242
Energy: 1.5735967755048703
Energy: 1.548366314098242
Energy: 1.605421339486062
Energy: 1.549429173336428
Energy: 1.605421339484298
Energy: 1.54942917333731
Energy: 1.60542133948518
Energy: 1.54942917333731
Energy: 1.5451561856572482
Energy: 1.6091374748937588
Energy: 1.5451561856581302
Energy: 1.6091374748928766
Energy: 1.5451561856554838
Energy: 1.6091374748937588
Energy: 1.539566557695012
Energy: 1.605320715978096
Energy: 1.539566557695894
Energy: 1.605320715978096
Energy: 1.5395665576941295
Energy: 1.605320715978096
Energy: 1.6668745603588193
Energy: 1.5628876538424332
Energy: 1.6668745603623476
Energy: 1.5628876538433154
Energy: 1.6668745603605835
Energy: 1.5628876538424332
Energy: 1.524084213015487
Energy: 1.577052624331693
Energy: 1.5240842130146852
Energy: 1.577052624332575
Energy: 1.5240842130172514
Energy: 1.577052624331693
Energy: 1.5470017424917326
Energy: 1.5954122433827502
Energy: 1.5470017424890863
Energy: 1.595412243381868
Energy: 1.5470017424873221
Energy: 1.595412243380986
Energy: 1.6631666322267962
Energy: 1.541747071788492
Energy: 1.6631666322232677
Energy: 1.5417470717893742
Energy: 1.663166632225032
Energy: 1.541747071788492
Energy: 1.519690089948439
Energy: 1.6399424994956342
Energy: 1.5196900899466745
Energy: 1.6399424994956342
Energy: 1.5196900899475567
Energy: 1.6399424994956342
Energy: 1.5425451562784296
Energy: 1.5778236894903463
Energy: 1.5425451562775476
Energy: 1.5778236894903463
Energy: 1.5425451562766652
Energy: 1.5778236894903463
Energy: 1.6805744554766315
Energy: 1.5501678865321395
Energy: 1.6805744554766315
Energy: 1.5501678865321395
Energy: 1.6805744554713382
Energy: 1.5501678865321395
Energy: 1.6058744282206285
Energy: 1.6157405205107698
Energy: 1.6058744282179822
Energy: 1.615740520511652
Energy: 1.6058744282206285
Energy: 1.615740520511652
Energy: 1.5676533499973448
Energy: 1.6161854415146708
Energy: 1.5676533499955807
Energy: 1.6161854415146708
Energy: 1.5676533499973448
Energy: 1.6161854415155528
Energy: 1.7481586976169468
Energy: 1.5363106746630162
Energy: 1.7481586976169468
Energy: 1.5363106746630162
Energy: 1.7481586976178287
Energy: 1.5363106746630162
Energy: 1.5481387238150062
Energy: 1.5703581726279168
Energy: 1.5481387238114777
Energy: 1.5703581726279168
Energy: 1.54813872381236
Energy: 1.5703581726270348
Energy: 1.549515659056211
Energy: 1.5477684821691757
Energy: 1.5495156590597394
Energy: 1.5477684821691757
Energy: 1.549515659057975
Energy: 1.5477684821691757
Energy: 1.6612684267565372
Energy: 1.540542975798631
Energy: 1.6612684267503626
Energy: 1.540542975798631
Energy: 1.6612684267530087
Energy: 1.5405429757977491

minimum gb energy = 1.5171233121025187 eV
minimum distance =  2.24698259407745 Angstroms
sigma value = 27


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

Energy: 1.5531222487448986
Energy: 1.5529321436336714
Energy: 1.5531222487448986
Energy: 1.5529321436336714
Energy: 1.553122248744155
Energy: 1.5529321436336714
Energy: 1.5340311313522035
Energy: 1.5130114913357247
Energy: 1.5340311313536905
Energy: 1.5130114913364006
Energy: 1.5340311313544341
Energy: 1.513011491337144
Energy: 1.5703377728077996
Energy: 1.4980594724239886
Energy: 1.5703377728085433
Energy: 1.498059472423245
Energy: 1.5703377728077996
Energy: 1.498059472424732
Energy: 1.5136313457335226
Energy: 1.5487170999665496
Energy: 1.5136313457342663
Energy: 1.5487170999665496
Energy: 1.5136313457290616
Energy: 1.5487170999665496
Energy: 1.5093740093062489
Energy: 1.494563259802602
Energy: 1.5093740093084795
Energy: 1.4945632598018583
Energy: 1.5093740093069925
Energy: 1.4945632598018583
Energy: 1.4800371779218235
Energy: 1.5007243730364244
Energy: 1.4800371779210801
Energy: 1.5007243730364244
Energy: 1.4800371779218235
Energy: 1.5007243730364244
Energy: 1.4988937170005892
Energy: 1.5595754037179133
Energy: 1.4988937170065375
Energy: 1.5595754037179133
Energy: 1.4988937170005892
Energy: 1.5595754037179133
Energy: 1.5898896258048665
Energy: 1.525270063543998
Energy: 1.5898896258033794
Energy: 1.5252700635477157
Energy: 1.5898896258041229
Energy: 1.5252700635447414
Energy: 1.5252440861861096
Energy: 1.5010733742356963
Energy: 1.525244086183879
Energy: 1.5010733742349527
Energy: 1.5252440861846226
Energy: 1.5010733742342093
Energy: 1.5135638502614612
Energy: 1.5321717097832803
Energy: 1.5135638502592306
Energy: 1.532171709781793
Energy: 1.5135638502584872
Energy: 1.532171709782537
Energy: 1.5136851383573027
Energy: 1.5349707570855726
Energy: 1.5136851383558154
Energy: 1.5349707570863163
Energy: 1.513685138355072
Energy: 1.5349707570885467
Energy: 1.549711304453183
Energy: 1.4680774463409865
Energy: 1.5497113044539266
Energy: 1.4680774463394994
Energy: 1.549711304453183
Energy: 1.4680774463417303
Energy: 1.5949654667575814
Energy: 1.4947332463990892
Energy: 1.5949654667523765
Energy: 1.494733246387936
Energy: 1.5949654667575814
Energy: 1.4947332463990892
Energy: 1.4978364825767883
Energy: 1.521134451852846
Energy: 1.4978364825745574
Energy: 1.5211344518535896
Energy: 1.4978364825775317
Energy: 1.521134451852846
Energy: 1.481250997072194
Energy: 1.5000380428650828
Energy: 1.4812509970736814
Energy: 1.5000380428665698
Energy: 1.481250997072194
Energy: 1.500038042868057
Energy: 1.512893371719436
Energy: 1.4947249142294843
Energy: 1.5128933717179487
Energy: 1.4947249142317147
Energy: 1.512893371720923
Energy: 1.4947249142287407
Energy: 1.4670853420671588
Energy: 1.5719647675655035
Energy: 1.4670853420649281
Energy: 1.5719647675655035
Energy: 1.4670853420664152
Energy: 1.571964767566247
Energy: 1.551464952068072
Energy: 1.50730044525284
Energy: 1.551464952068072
Energy: 1.50730044525284
Energy: 1.5514649520665846
Energy: 1.5073004452535836
Energy: 1.505022613827712
Energy: 1.5097994265886838
Energy: 1.5050226138299425
Energy: 1.5097994265938888
Energy: 1.5050226138269682
Energy: 1.509799426591658
Energy: 1.5531222487396936
Energy: 1.5529321436388759
Energy: 1.5531222487419243
Energy: 1.5529321436388759
Energy: 1.5531222487426677
Energy: 1.5529321436396197
Energy: 1.5340311313559212
Energy: 1.5130114913342376
Energy: 1.5340311313536905
Energy: 1.513011491334981
Energy: 1.5340311313559212
Energy: 1.513011491334981
Energy: 1.5703377728025947
Energy: 1.4980594724269627
Energy: 1.5703377728025947
Energy: 1.4980594724269627
Energy: 1.5703377728025947
Energy: 1.4980594724277063
Energy: 1.5136313457335226
Energy: 1.5487170999739852
Energy: 1.5136313457342663
Energy: 1.5487170999739852
Energy: 1.5136313457327792
Energy: 1.5487170999747288
Energy: 1.5093740093099666
Energy: 1.4945632598033456
Energy: 1.5093740093107102
Energy: 1.4945632598033456
Energy: 1.5093740093099666
Energy: 1.4945632598033456
Energy: 1.4800371779203365
Energy: 1.5007243730364244
Energy: 1.4800371779188493
Energy: 1.500724373037168
Energy: 1.4800371779218235
Energy: 1.500724373037168

minimum gb energy = 1.4670853420649281 eV
minimum distance =  2.26593275739894 Angstroms
sigma value = 19


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

Energy: 1.4662409892790005
Energy: 1.5798401203435144
Energy: 1.4662409892802843
Energy: 1.5798401203435144
Energy: 1.4662409892783588
Energy: 1.5798401203435144
Energy: 1.5041729847636987
Energy: 1.44472161567934
Energy: 1.5041729847630567
Energy: 1.4447216156786982
Energy: 1.5041729847630567
Energy: 1.4447216156786982
Energy: 1.533751162507246
Energy: 1.4041932427107051
Energy: 1.533751162507888
Energy: 1.4041932427100632
Energy: 1.533751162507246
Energy: 1.4041932427107051
Energy: 1.4209209160134129
Energy: 1.5027421205980465
Energy: 1.4209209160134129
Energy: 1.5027421205980465
Energy: 1.4209209160134129
Energy: 1.5027421205980465
Energy: 1.457851582848508
Energy: 1.4941432952440943
Energy: 1.4578515828472243
Energy: 1.4941432952440943
Energy: 1.4578515828472243
Energy: 1.494143295244736
Energy: 1.5042082967534909
Energy: 1.4305959234326917
Energy: 1.504208296752849
Energy: 1.430595923433304
Energy: 1.5042082967534909
Energy: 1.430595923433304
Energy: 1.4073254999199007
Energy: 1.4940730585592397
Energy: 1.4073254999192588
Energy: 1.4940730577489607
Energy: 1.4073254999211846
Energy: 1.4940730564357219
Energy: 1.437274564638157
Energy: 1.5355460575448958
Energy: 1.4372745646375151
Energy: 1.5355460575436122
Energy: 1.437274564638157
Energy: 1.5355460575468214
Energy: 1.5497841575048288
Energy: 1.4037489143977007
Energy: 1.5497841575016196
Energy: 1.4037489143970587
Energy: 1.5497841575048288
Energy: 1.4037489143970587
Energy: 1.467721500658108
Energy: 1.4846968687137738
Energy: 1.4677215006568243
Energy: 1.4846968687144158
Energy: 1.4677215006574662
Energy: 1.4846968687137738
Energy: 1.4133230514872281
Energy: 1.5499239219183205
Energy: 1.4133230514872281
Energy: 1.5499239219157532
Energy: 1.41332305148787
Energy: 1.549923921920246
Energy: 1.5344155723257804
Energy: 1.4037607875829565
Energy: 1.5344155723251385
Energy: 1.4037607875823148
Energy: 1.5344155723244968
Energy: 1.4037607875816729
Energy: 1.4313727893550363
Energy: 1.4438996608948471
Energy: 1.431372789352469
Energy: 1.443899660895489
Energy: 1.4313727893563202
Energy: 1.4438996608942052
Energy: 1.426112885759037
Energy: 1.4985207535471108
Energy: 1.4261128857571115
Energy: 1.4985207535471108
Energy: 1.4261128857603207
Energy: 1.4985207535471108
Energy: 1.5099582627540518
Energy: 1.4191316416475033
Energy: 1.5099582627553354
Energy: 1.4191316416481452
Energy: 1.5099582627553354
Energy: 1.4191316416481452
Energy: 1.5603457042407385
Energy: 1.405909667403337
Energy: 1.5603457042400968
Energy: 1.405909667403337
Energy: 1.5603457042400968
Energy: 1.405909667403337
Energy: 1.4205818362709748
Energy: 1.5180013932716736
Energy: 1.4205818362696911
Energy: 1.5180013932723153
Energy: 1.4205818362716167
Energy: 1.5180013932716736
Energy: 1.4969423507219461
Energy: 1.4775169841462712
Energy: 1.496942350722588
Energy: 1.4775169841456295
Energy: 1.4969423507213042
Energy: 1.4775169841443456
Energy: 1.5242932813631582
Energy: 1.4283829811501765
Energy: 1.5242932813631582
Energy: 1.4283829811501765
Energy: 1.5242932813644419
Energy: 1.4283829811501765
Energy: 1.42063861669361
Energy: 1.5175794427306009
Energy: 1.42063861669361
Energy: 1.5175794427306009
Energy: 1.4206386166923264
Energy: 1.517579442729959
Energy: 1.391962991986383
Energy: 1.5141720401837
Energy: 1.3919629919838157
Energy: 1.5141720401773109
Energy: 1.3919629919844576
Energy: 1.514172039884112
Energy: 1.6091320047508428
Energy: 1.4161011854605405
Energy: 1.6091320047617244
Energy: 1.4161011854605405
Energy: 1.6091320047572317
Energy: 1.4161011854605405
Energy: 1.491378276997999
Energy: 1.4730996506458494
Energy: 1.4913782770005664
Energy: 1.4730996506458494
Energy: 1.491378276997999
Energy: 1.4730996506458494
Energy: 1.4591943105038483
Energy: 1.5735098856045124
Energy: 1.4591943105044902
Energy: 1.5735098856045124
Energy: 1.4591943105044902
Energy: 1.5735098856045124
Energy: 1.5107570880025798
Energy: 1.4052827428887702
Energy: 1.5107570880032217
Energy: 1.4052827428906958
Energy: 1.5107570880025798
Energy: 1.4052827428881285
Energy: 1.464952721068731
Energy: 1.4410898228590452
Energy: 1.464952721069373
Energy: 1.4410898228609708
Energy: 1.464952721069373
Energy: 1.4410898228596871
Energy: 1.4117917977216394
Energy: 1.515683471519916
Energy: 1.4117917977242065
Energy: 1.515683471519916
Energy: 1.4117917977222811
Energy: 1.5156834715179905
Energy: 1.502734049958734
Energy: 1.4274506642987914
Energy: 1.5027340499574506
Energy: 1.4274506642987914
Energy: 1.5027340499574506
Energy: 1.4274506642994333
Energy: 1.5132291940173965
Energy: 1.4278091392987902
Energy: 1.5132291940199636
Energy: 1.4278091392987902
Energy: 1.5132291940180382
Energy: 1.427809139299432

minimum gb energy = 1.3919629919838157 eV
minimum distance =  2.24816165053315 Angstroms
sigma value = 101


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

Energy: 1.368746183385301
Energy: 1.4809246535540352
Energy: 1.3687461833864294
Energy: 1.4809246535540352
Energy: 1.3687461833836083
Energy: 1.4809246535540352
Energy: 1.455957521421034
Energy: 1.3671875742829316
Energy: 1.4559575214176488
Energy: 1.3671875742846242
Energy: 1.455957521422727
Energy: 1.3671875742829316
Energy: 1.4594001185546768
Energy: 1.3353745753587973
Energy: 1.4594001185535488
Energy: 1.3353745753604898
Energy: 1.4594001185535488
Energy: 1.3353745753599258
Energy: 1.3168734101035287
Energy: 1.4957210906951655
Energy: 1.3168734101029642
Energy: 1.4957210906957297
Energy: 1.3168734101029642
Energy: 1.4957210906951655
Energy: 1.366568190656071
Energy: 1.401042281599496
Energy: 1.366568190656071
Energy: 1.4010422815989318
Energy: 1.3665681906571994
Energy: 1.401042281599496
Energy: 1.4527701157369866
Energy: 1.33462589992731
Energy: 1.4527701157364226
Energy: 1.33462589992731
Energy: 1.4527701157369866
Energy: 1.33462589992731
Energy: 1.3660901294739936
Energy: 1.4516586885002527
Energy: 1.3660901294762502
Energy: 1.4516586884946108
Energy: 1.3660901294739936
Energy: 1.4516586884951748
Energy: 1.3218484871712213
Energy: 1.4604480291665758
Energy: 1.3218484871723497
Energy: 1.4604480291665758
Energy: 1.3218484871734781
Energy: 1.4604480291660118
Energy: 1.4507401225683862
Energy: 1.3357201834115027
Energy: 1.4507401225672578
Energy: 1.3357201834109382
Energy: 1.4507401225661294
Energy: 1.3357201834103742
Energy: 1.400017653039088
Energy: 1.4262316324904882
Energy: 1.400017653039652
Energy: 1.426231632489924
Energy: 1.4000176530413446
Energy: 1.426231632489924
Energy: 1.319190214618466
Energy: 1.645830565050044
Energy: 1.31919021461903
Energy: 1.6458305650539935
Energy: 1.3191902146201584
Energy: 1.6458305650523009
Energy: 1.4305591224574923
Energy: 1.3666763200587881
Energy: 1.4305591224546712
Energy: 1.3666763200604808
Energy: 1.430559122450158
Energy: 1.3666763200599166
Energy: 1.4309420973903408
Energy: 1.335321418156725
Energy: 1.4309420973869555
Energy: 1.3353214181572892
Energy: 1.4309420973886482
Energy: 1.335321418156161
Energy: 1.3749900535601662
Energy: 1.5090566839002413
Energy: 1.3749900535584736
Energy: 1.5090566839019337
Energy: 1.3749900535590378
Energy: 1.5090566839019337
Energy: 1.4257472808626033
Energy: 1.4020162696294698
Energy: 1.4257472808592182
Energy: 1.402016269630034
Energy: 1.4257472808614748
Energy: 1.402016269630034
Energy: 1.4579001120586292
Energy: 1.3347810330309233
Energy: 1.4579001120630914
Energy: 1.3347810330292307
Energy: 1.4579001120636554
Energy: 1.334781033029795
Energy: 1.3156714695332798
Energy: 1.4257926763411302
Energy: 1.3156714695338438
Energy: 1.4257926763445152
Energy: 1.3156714695327154
Energy: 1.4257926763405657
Energy: 1.3198814736594886
Energy: 1.4393886077165188
Energy: 1.3198814736600526
Energy: 1.4393886077165188
Energy: 1.3198814736583602
Energy: 1.4393886077165188
Energy: 1.4509947168089963
Energy: 1.335781830301735
Energy: 1.4509947168123816
Energy: 1.335781830301735
Energy: 1.450994716810689
Energy: 1.335781830301171
Energy: 1.3410168173222745
Energy: 1.4137982969142535
Energy: 1.3410168173245312
Energy: 1.413798296913125
Energy: 1.3410168173222745
Energy: 1.4137982969148177
Energy: 1.31966152849532
Energy: 1.6339658547623985
Energy: 1.3196615284941915
Energy: 1.6339658547612703
Energy: 1.3196615284941915
Energy: 1.6339658547590135
Energy: 1.4787427247652314
Energy: 1.329026103182701
Energy: 1.4787427247686165
Energy: 1.3290261031838295
Energy: 1.4787427247680525
Energy: 1.329026103182701
Energy: 1.4849083721901408
Energy: 1.3291613497131485
Energy: 1.4849083721907053
Energy: 1.3291613497131485
Energy: 1.4849083721901408
Energy: 1.3291613497125845
Energy: 1.3162956573749993
Energy: 1.520987845535019
Energy: 1.3162956573749993
Energy: 1.5209878455344548
Energy: 1.3162956573727425
Energy: 1.5209878455310695
Energy: 1.4316735614334208
Energy: 1.3808255844733153
Energy: 1.431673561172351
Energy: 1.3808255844789574
Energy: 1.4316735610798224
Energy: 1.3808255844795214
Energy: 1.4328260990059767
Energy: 1.335069022179378
Energy: 1.4328260990059767
Energy: 1.3350690221782495
Energy: 1.4328260990065407
Energy: 1.3350690221810704
Energy: 1.3685872969208883
Energy: 1.5196532613756113
Energy: 1.3685872969231452
Energy: 1.5196532613761755
Energy: 1.36858729691976
Energy: 1.5196532613761755
Energy: 1.3686206090264923
Energy: 1.4315068535438702
Energy: 1.368620609028749
Energy: 1.4315068535444344
Energy: 1.3686206090293132
Energy: 1.4315068535438702
Energy: 1.5060860335834394
Energy: 1.349623822438072
Energy: 1.5060860335952877
Energy: 1.349623822438072
Energy: 1.5060860335811825
Energy: 1.3496238224375081
Energy: 1.3194623029119303
Energy: 1.4319185314186982
Energy: 1.3194623029124946
Energy: 1.431918531415877
Energy: 1.319462302913623
Energy: 1.4319185314170055
Energy: 1.315737259453271
Energy: 1.4663137238621797
Energy: 1.3157372594538352
Energy: 1.466313723862744
Energy: 1.315737259453271
Energy: 1.4663137238621797
Energy: 1.5129133703024906
Energy: 1.329254325823645
Energy: 1.512913370300798
Energy: 1.3292543258253378
Energy: 1.512913370300798
Energy: 1.329254325825902
Energy: 1.4850731856432455
Energy: 1.3290097580110445
Energy: 1.4850731856432455
Energy: 1.3290097580065308
Energy: 1.4850731856421173
Energy: 1.3290097580087876

minimum gb energy = 1.3156714695327154 eV
minimum distance =  2.27049726045439 Angstroms
sigma value = 33


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

Energy: 0.02254716962335225
Energy: 1.1144228721269922
Energy: 0.02254716962335225
Energy: 1.1144228721269922
Energy: 0.022547169622883476
Energy: 1.1144228721269922
Energy: 0.024690382861932786
Energy: 0.3940927632605723
Energy: 0.024690382861932786
Energy: 0.3940927632605723
Energy: 0.02469038286240156
Energy: 0.3940927632605723
Energy: 1.1142199207104957
Energy: 0.3952888846473605
Energy: 1.1142108131494641
Energy: 0.395288884625849
Energy: 1.1142103575294653
Energy: 0.3952888846524129
Energy: 0.02469038286240156
Energy: 0.39409276326104103
Energy: 0.02469038286240156
Energy: 0.39409276326150977
Energy: 0.02469038286240156
Energy: 0.39409276326104103

minimum gb energy = 0.022547169622883476 eV
minimum distance =  2.47510265431302 Angstroms
sigma value = 1