Model name: model_name=EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_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=3.5200000256299973
cohesive_energy=4.450349963542659
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: 0.018159545945988648
Energy: 1.2957808224401948
Energy: 0.018159545945988648
Energy: 1.2957808224401948
Energy: 0.018159545945657884
Energy: 1.2957808224401948
Energy: 1.2957808224401948
Energy: 1.1752909756482843
Energy: 1.2957808224401948
Energy: 1.1752909756476229
Energy: 1.2957808224401948
Energy: 1.1752909756469614
Energy: 0.018159545945988648
Energy: 1.2957808224401948
Energy: 0.018159545945988648
Energy: 1.2957808224401948
Energy: 0.018159545945657884
Energy: 1.295780822439864
Energy: 1.2957808224401948
Energy: 1.1752909756485785
Energy: 1.2957808224401948
Energy: 1.1752909756485785
Energy: 1.2957808224401948
Energy: 1.175290975647292
Energy: 0.018159545945657884
Energy: 1.2957808224401948
Energy: 0.018159545945988648
Energy: 1.2957808224401948
Energy: 0.018159545945657884
Energy: 1.295780822439864
Energy: 1.2957808224401948
Energy: 1.1752909756469614
Energy: 1.295780822439864
Energy: 1.175290975647292
Energy: 1.2957808224401948
Energy: 1.175290975647292

minimum gb energy = 0.018159545945657884 eV
minimum distance =  2.25772915281591 Angstroms
sigma value = 1


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

Energy: 1.4207356724477425
Energy: 1.3551320186661662
Energy: 1.4207356724485385
Energy: 1.3551320186661662
Energy: 1.4207356724477425
Energy: 1.3551320186637776
Energy: 1.5155823623239935
Energy: 1.262552442620243
Energy: 1.2762421512407964
Energy: 1.262552442619447
Energy: 1.2763560611425893
Energy: 1.262552442619447
Energy: 1.3328692889980283
Energy: 1.417378198694576
Energy: 1.3328692889988245
Energy: 1.4173781986929834
Energy: 1.332869288997232
Energy: 1.4173781986937797
Energy: 1.5441519331423887
Energy: 1.3228788520651837
Energy: 1.5441519331455738
Energy: 1.3228788520651837
Energy: 1.5441519331479623
Energy: 1.3228788520659798
Energy: 1.3552867017949213
Energy: 1.4754911918460478
Energy: 1.355286701789348
Energy: 1.4754911918476403
Energy: 1.3552867017917367
Energy: 1.4754911918516211
Energy: 1.4573101230825902
Energy: 1.2773244840437201
Energy: 1.457310123080202
Energy: 1.2773244840413318
Energy: 1.4573101230841827
Energy: 1.2773244840437201
Energy: 1.340686693939387
Energy: 1.386194192166062
Energy: 1.3406866939283129
Energy: 1.3861941921668581
Energy: 1.3406866939283129
Energy: 1.3861941921684506
Energy: 1.3102205492101549
Energy: 1.4880796718909697
Energy: 1.3102205492101549
Energy: 1.488079671886989
Energy: 1.310220549207766
Energy: 1.488079671886989
Energy: 1.4697651171389678
Energy: 1.3947243004020051
Energy: 1.4697651171405601
Energy: 1.3947243004012089
Energy: 1.4697651171413564
Energy: 1.3947243004020051
Energy: 1.2500530320708196
Energy: 1.4659258700244238
Energy: 1.2500530320668388
Energy: 1.4659258700196467
Energy: 1.250053032067635
Energy: 1.4659258700188507
Energy: 1.6356766955652455
Energy: 1.2767911384035875
Energy: 1.6356766955652455
Energy: 1.2767911384035875
Energy: 1.6356766955660418
Energy: 1.2767911384035875
Energy: 1.241415304356811
Energy: 1.5303647068538624
Energy: 1.2414153043576073
Energy: 1.5303647068498814
Energy: 1.241415304356015
Energy: 1.530364706831569
Energy: 1.566213617327563
Energy: 1.2170558316433389
Energy: 1.5662136173259706
Energy: 1.2170558316417466
Energy: 1.566213617330748
Energy: 1.2170558316433389
Energy: 1.3066200814380502
Energy: 1.3411412466027244
Energy: 1.3066200814388462
Energy: 1.3411412466067054
Energy: 1.3066200814388462
Energy: 1.3411412466035206
Energy: 1.5630812389981337
Energy: 1.2588435031883696
Energy: 1.563081238990968
Energy: 1.258843503190758
Energy: 1.563081238990968
Energy: 1.2588435031891656
Energy: 1.5747779845771255
Energy: 1.4177949514681345
Energy: 1.5747779845771255
Energy: 1.417794951461765
Energy: 1.5747779845763292
Energy: 1.417794951466542
Energy: 1.3651195289622229
Energy: 1.3769859035595933
Energy: 1.365119528958242
Energy: 1.3769859035564085
Energy: 1.3651195289606304
Energy: 1.3769859035572047
Energy: 1.36499420726784
Energy: 1.33839189901602
Energy: 1.36499420726784
Energy: 1.338391899011243
Energy: 1.364994207263063
Energy: 1.338391899011243
Energy: 1.3664010390194807
Energy: 1.3219271787390694
Energy: 1.3664010390194807
Energy: 1.321927178740662
Energy: 1.3664010390194807
Energy: 1.3219271787413855
Energy: 1.4395797056585247
Energy: 1.2770809519764048
Energy: 1.439579705660913
Energy: 1.2770809519803856
Energy: 1.4395797056648942
Energy: 1.2770809519819781
Energy: 1.284779052854949
Energy: 1.7294072675442582
Energy: 1.2847790528557448
Energy: 1.729407267543462
Energy: 1.2847790528557448
Energy: 1.7294072675410734
Energy: 1.4207066250729399
Energy: 1.389478374228323
Energy: 1.4207066250737361
Energy: 1.3894783742275267
Energy: 1.4207066250713474
Energy: 1.389478374228323
Energy: 1.288043271009867
Energy: 1.5164454871152957
Energy: 1.220347649731351
Energy: 1.5164454871152957
Energy: 1.220347649731351
Energy: 1.516445487116092

minimum gb energy = 1.2170558316417466 eV
minimum distance =  2.19551399685019 Angstroms
sigma value = 33


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

Energy: 1.4032919477161876
Energy: 1.4714510637147247
Energy: 1.4032919477166406
Energy: 1.4714510637178948
Energy: 1.4032919477161876
Energy: 1.471451063717442
Energy: 1.4635088166960535
Energy: 1.3307632928880306
Energy: 1.4635088166933363
Energy: 1.3307632928884834
Energy: 1.4635088166856376
Energy: 1.3307632928880306
Energy: 1.23094123846012
Energy: 1.3286602147034512
Energy: 1.2309412384628373
Energy: 1.328660214700734
Energy: 1.2309412384592144
Energy: 1.328660214700734
Energy: 1.43521321460039
Energy: 1.5124542099585938
Energy: 1.43521321460039
Energy: 1.5124542099585938
Energy: 1.4352132146017487
Energy: 1.5124542099585938
Energy: 1.330766608421557
Energy: 1.4198204746395389
Energy: 1.3307666084220098
Energy: 1.4198204746345573
Energy: 1.3307666084206513
Energy: 1.4198204746436147
Energy: 1.3274846299974061
Energy: 1.2309471410738324
Energy: 1.3274846300055578
Energy: 1.2309471410760968
Energy: 1.3274846299969532
Energy: 1.2309471410765496
Energy: 1.471555758041447
Energy: 1.4032394434435878
Energy: 1.4715557580428056
Energy: 1.403239443446758
Energy: 1.4715557580509162
Energy: 1.4032394434413233
Energy: 1.2153952275378284
Energy: 1.4036749893466245
Energy: 1.2153952275382813
Energy: 1.4036749893466245
Energy: 1.2153952275337525
Energy: 1.4036749893507003
Energy: 1.3144059625419187
Energy: 1.2348564737953873
Energy: 1.3144059625419187
Energy: 1.2348564737949344
Energy: 1.3144059625392015
Energy: 1.2348564737949344
Energy: 1.1875943599242345
Energy: 1.455586749657365
Energy: 1.1875943599233287
Energy: 1.4555867496419674
Energy: 1.1875943599246872
Energy: 1.4555867496510249
Energy: 1.4562191993964593
Energy: 1.1915448456863493
Energy: 1.456219199393742
Energy: 1.1915448456858966
Energy: 1.4562191993978177
Energy: 1.1915448456854436
Energy: 1.2311705390868104
Energy: 1.3131412003057996
Energy: 1.2311705390868104
Energy: 1.3131412003053469
Energy: 1.231170539085452
Energy: 1.313141200304894
Energy: 1.404195732428214
Energy: 1.2153006737179044
Energy: 1.4041957324295724
Energy: 1.2153006737206216
Energy: 1.4041957324300254
Energy: 1.215300673716093
Energy: 1.403384480074595
Energy: 1.4761288013611022
Energy: 1.4033844800718775
Energy: 1.476128801362008
Energy: 1.403384480067349
Energy: 1.4761288013706124
Energy: 1.353422305575743
Energy: 1.327770505549302
Energy: 1.3534223055802719
Energy: 1.3277705055497548
Energy: 1.3534223055852532
Energy: 1.3277705055506608
Energy: 1.2310092209538428
Energy: 1.3289666627716163
Energy: 1.2310092209669758
Energy: 1.328966662772522
Energy: 1.23100922095973
Energy: 1.328966662776145
Energy: 1.5173400706208096
Energy: 1.4377831011780449
Energy: 1.517340070622168
Energy: 1.437783101177139
Energy: 1.517340070622621
Energy: 1.4377831011757805
Energy: 1.3289889237079924
Energy: 1.2307562245332346
Energy: 1.3289889237088979
Energy: 1.2307562245336874
Energy: 1.3289889237079924
Energy: 1.2307562245327817
Energy: 1.3306125590890339
Energy: 1.3537147692228255
Energy: 1.3306125590867697
Energy: 1.3537147692192026
Energy: 1.3306125590890339
Energy: 1.3537147692300304
Energy: 1.473560942656124
Energy: 1.4070242725463307
Energy: 1.4735609426520482
Energy: 1.4070242725467834
Energy: 1.4735609426479723
Energy: 1.4070242725463307
Energy: 1.2144919087083714
Energy: 1.4045651686845806
Energy: 1.2144919087065598
Energy: 1.404565168675523
Energy: 1.2144919087083714
Energy: 1.4045651686750702
Energy: 1.3291666420735502
Energy: 1.2348559137463215
Energy: 1.3291666420749086
Energy: 1.2348559137467743
Energy: 1.3291666420839248
Energy: 1.2348559137463215
Energy: 1.1876519139397623
Energy: 1.4560000917449978
Energy: 1.1876519139397623
Energy: 1.4560000917454508
Energy: 1.1876519139402153
Energy: 1.4560000917391107
Energy: 1.4557039818217068
Energy: 1.3291919135743138
Energy: 1.4557039818221598
Energy: 1.329191913573861
Energy: 1.4557039818221598
Energy: 1.3291919135752197
Energy: 1.2308790497612037
Energy: 1.3281240961476024
Energy: 1.2308790497602977
Energy: 1.328124096144885
Energy: 1.2308790497612037
Energy: 1.3281240961435266
Energy: 1.4036684845629646
Energy: 1.4451186878254318
Energy: 1.403668484565682
Energy: 1.4451186878245263
Energy: 1.4036684845697576
Energy: 1.4451186878236204
Energy: 1.4036915627975406
Energy: 1.4445905098676994
Energy: 1.4036915627970876
Energy: 1.4445905098739984
Energy: 1.4036915628007105
Energy: 1.4445905098776215
Energy: 1.2309676532438287
Energy: 1.3278874423407017
Energy: 1.2309676532451876
Energy: 1.3278874423420604
Energy: 1.2309676532415645
Energy: 1.327887442342966
Energy: 1.4556710885806714
Energy: 1.3289996954560002
Energy: 1.4556710885833886
Energy: 1.3289996954560002
Energy: 1.4556710885811242
Energy: 1.3289996954555472
Energy: 1.1876389657195585
Energy: 1.4560322860843269
Energy: 1.1876389657195585
Energy: 1.4560322860779868
Energy: 1.1876389657209172
Energy: 1.4560322860829684
Energy: 1.3287363216047683
Energy: 1.2348426361115392
Energy: 1.3287363216070325
Energy: 1.2348426361110865
Energy: 1.3287363216015982
Energy: 1.2348426361110865
Energy: 1.2143151126634675
Energy: 1.404600428594901
Energy: 1.2143151126630147
Energy: 1.4046004286021467
Energy: 1.214315112662562
Energy: 1.4046004285985239
Energy: 1.473524403492407
Energy: 1.406982620430779
Energy: 1.4735244034933128
Energy: 1.4069826204303262
Energy: 1.4735244034946713
Energy: 1.4069826204294205
Energy: 1.3306292833779245
Energy: 1.3539297054570307
Energy: 1.3306292833743014
Energy: 1.3539297054547665
Energy: 1.3306292833729427
Energy: 1.3539297054534079
Energy: 1.328675373301214
Energy: 1.2307914188535805
Energy: 1.3286753733071013
Energy: 1.2307914188594677
Energy: 1.328675373315253
Energy: 1.2307914188549391
Energy: 1.5173734463551174
Energy: 1.437758756436269
Energy: 1.5173734463546644
Energy: 1.437758756435816
Energy: 1.5173734463537587
Energy: 1.437758756436722
Energy: 1.230958522313258
Energy: 1.3289020771687294
Energy: 1.2309585223150694
Energy: 1.3289020771728053
Energy: 1.2309585223200512
Energy: 1.3289020771673707
Energy: 1.3534001516218432
Energy: 1.3277898731702928
Energy: 1.353400151623202
Energy: 1.3277898731711988
Energy: 1.353400151619126
Energy: 1.3277898731662172
Energy: 1.4033845152809308
Energy: 1.4762714688385843
Energy: 1.4033845152786666
Energy: 1.4762714688363199
Energy: 1.4033845152809308
Energy: 1.4762714688458305
Energy: 1.4041545943872504
Energy: 1.2152401110980109
Energy: 1.404154594388156
Energy: 1.2152401110998226
Energy: 1.40415459438408
Energy: 1.2152401110975581
Energy: 1.2311701231205425
Energy: 1.3132551374941643
Energy: 1.2311701231205425
Energy: 1.3132551374941643
Energy: 1.231170123121448
Energy: 1.3132551374937114

minimum gb energy = 1.1875943599233287 eV
minimum distance =  2.32878455418174 Angstroms
sigma value = 51


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

Energy: 1.4134778210382237
Energy: 1.4255032095925284
Energy: 1.4134778210371743
Energy: 1.4255032095925284
Energy: 1.4134778210382237
Energy: 1.425503209591479
Energy: 1.5150930631456183
Energy: 1.3294015034504958
Energy: 1.515093114744776
Energy: 1.3294015034494466
Energy: 1.5150929756922407
Energy: 1.3294015034504958
Energy: 1.3245771466612435
Energy: 1.6304350436441803
Energy: 1.3245771466633423
Energy: 1.6304350436441803
Energy: 1.3245771466622926
Energy: 1.6304350436452295
Energy: 1.4028965728997271
Energy: 1.2353964423556794
Energy: 1.4028965729039242
Energy: 1.2353964423567287
Energy: 1.4028965729007765
Energy: 1.2353964423567287
Energy: 1.4198816701153847
Energy: 1.354830689292301
Energy: 1.4198816701185326
Energy: 1.354830689292301
Energy: 1.419881670123779
Energy: 1.354830689292301
Energy: 1.419179074187735
Energy: 1.3547300668702182
Energy: 1.4191790741887842
Energy: 1.354730066869169
Energy: 1.4191790741824888
Energy: 1.354730066869169
Energy: 1.3800975609131567
Energy: 1.3543086528152737
Energy: 1.3800975609142059
Energy: 1.3543086528142243
Energy: 1.3800975609121073
Energy: 1.3543086528121258
Energy: 1.301985230010258
Energy: 1.3562629147925649
Energy: 1.301985230010258
Energy: 1.3562629147894172
Energy: 1.3019852300081591
Energy: 1.3562629147894172
Energy: 1.5915297188278663
Energy: 1.2350595172271526
Energy: 1.591529718826817
Energy: 1.2350595172271526
Energy: 1.5915297188278663
Energy: 1.2350595172271526
Energy: 1.280743758536013
Energy: 1.6038253129889095
Energy: 1.280743758536013
Energy: 1.6038253129857618
Energy: 1.280743758536013
Energy: 1.6038253129847126
Energy: 1.466783292260453
Energy: 1.2468418429735502
Energy: 1.4667604011055562
Energy: 1.2468418429735502
Energy: 1.466771624639904
Energy: 1.2468418429735502
Energy: 1.4107669929648747
Energy: 1.4274693335927133
Energy: 1.4107669929648747
Energy: 1.4274693335895652
Energy: 1.4107669929627762
Energy: 1.4274693335895652
Energy: 1.5986543267853763
Energy: 1.33043375414378
Energy: 1.598654326784327
Energy: 1.3304337541448295
Energy: 1.5986543267969187
Energy: 1.3304337541458788
Energy: 1.3243982267318744
Energy: 1.3399465299433644
Energy: 1.3243982267360714
Energy: 1.3399465299391675
Energy: 1.324398226733973
Energy: 1.3399465299423152
Energy: 1.4538036022990377
Energy: 1.4295113682964737
Energy: 1.4538036022990377
Energy: 1.4295113682954246
Energy: 1.4538036022979883
Energy: 1.4295113682954246
Energy: 1.4195450168597918
Energy: 1.3546398007476397
Energy: 1.4195450168587427
Energy: 1.3546398007476397
Energy: 1.4195450168576933
Energy: 1.3546398007465903
Energy: 1.4193492654849835
Energy: 1.4643755636455893
Energy: 1.4193492654881312
Energy: 1.4643755636476878
Energy: 1.419349265482885
Energy: 1.4643755636466387
Energy: 1.3807715415594435
Energy: 1.3610325210845458
Energy: 1.380771541561542
Energy: 1.3610325210845458
Energy: 1.380771541561542
Energy: 1.3610325210845458

minimum gb energy = 1.2350595172271526 eV
minimum distance =  2.19662798273168 Angstroms
sigma value = 19


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

Energy: 1.3275897671838912
Energy: 1.3170969519657054
Energy: 1.2028799341147447
Energy: 1.3170969519644609
Energy: 1.3275897671845134
Energy: 1.3170969519657054
Energy: 1.4581884289630762
Energy: 1.4145825917467048
Energy: 1.458188428959964
Energy: 1.4145825917479498
Energy: 1.458188428964321
Energy: 1.4145825917473271
Energy: 1.2266079449098715
Energy: 1.2686699575454854
Energy: 1.2266079449098715
Energy: 1.2686699575485971
Energy: 1.226607944909249
Energy: 1.2686699575504643
Energy: 1.414947724086777
Energy: 1.2269215684377708
Energy: 1.4149477240892667
Energy: 1.2268749942627373
Energy: 1.4149477240886443
Energy: 1.2269215684359038
Energy: 1.2931858924364488
Energy: 1.2631436010035295
Energy: 1.2931858924358262
Energy: 1.2002918034820378
Energy: 1.2931858924364488
Energy: 1.2631436010022845
Energy: 1.1650374306350166
Energy: 1.2626910045793271
Energy: 1.1650374306343945
Energy: 1.2002222204388502
Energy: 1.1650374306337719
Energy: 1.2626910045749704
Energy: 1.2673216718486109
Energy: 1.2269555207416523
Energy: 1.2673216718461213
Energy: 1.2269555207404073
Energy: 1.267321671845499
Energy: 1.2269555207416523
Energy: 1.2265173049577398
Energy: 1.5456721151636683
Energy: 1.2265185740835842
Energy: 1.545672115163046
Energy: 1.2265173049564952
Energy: 1.5456721151618011
Energy: 1.3139606865068436
Energy: 1.3357006780247176
Energy: 1.313960686511823
Energy: 1.3357006780520755
Energy: 1.3139606865062212
Energy: 1.3357006780427676
Energy: 1.2028799341147447
Energy: 1.3170969519644609
Energy: 1.2028799341147447
Energy: 1.3170969519638382
Energy: 1.202879934115367
Energy: 1.3170969519657054
Energy: 1.458188428961209
Energy: 1.414582591748572
Energy: 1.458188428961209
Energy: 1.4145825917498167
Energy: 1.4581884289630762
Energy: 1.4145825917479498
Energy: 1.2266079449104939
Energy: 1.2686699575454854
Energy: 1.2266079449098715
Energy: 1.268669957547975
Energy: 1.2266079449098715
Energy: 1.2686699575461076
Energy: 1.4149477240880217
Energy: 1.2268539660273428
Energy: 1.4149477240898891
Energy: 1.2269005720948638
Energy: 1.4149477240886443
Energy: 1.2268539660260982
Energy: 1.293185892437071
Energy: 1.2002918034820378
Energy: 1.2931858924358262
Energy: 1.2632817218029877
Energy: 1.293185892437071
Energy: 1.2002918034795482
Energy: 1.1650374306362614
Energy: 1.2002222204394726
Energy: 1.165037430635639
Energy: 1.262772028201356
Energy: 1.1650374306350166
Energy: 1.2002222204388502
Energy: 1.267321671847366
Energy: 1.2269555207404073
Energy: 1.267321671845499
Energy: 1.2269555207410296
Energy: 1.2673216718448763
Energy: 1.2269555207410296
Energy: 1.2265352024307452
Energy: 1.5456721151642905
Energy: 1.2265196069719697
Energy: 1.545672115163046
Energy: 1.2265352024326126
Energy: 1.5456721151636683
Energy: 1.2418951701975562
Energy: 1.3357006780663907
Energy: 1.3139606865093332
Energy: 1.3357006780601668
Energy: 1.2418951701938217
Energy: 1.3357006780551874
Energy: 1.3275897671826462
Energy: 1.3170969519644609
Energy: 1.202879934115367
Energy: 1.3170969519638382
Energy: 1.3275897671857584
Energy: 1.3170969519657054
Energy: 1.458188428959964
Energy: 1.4145825917473271
Energy: 1.458188428961209
Energy: 1.4145825917479498
Energy: 1.4581884289636988
Energy: 1.4145825917467048
Energy: 1.226607944909249
Energy: 1.2686699575461076
Energy: 1.226607944908627
Energy: 1.2686699575467302
Energy: 1.2266079449080043
Energy: 1.2686699575473523
Energy: 1.4149477240873993
Energy: 1.2269215684377708
Energy: 1.4149477240886443
Energy: 1.2268749942621147
Energy: 1.4149477240886443
Energy: 1.2269215684359038
Energy: 1.293185892437071
Energy: 1.2631436010035295
Energy: 1.2931858924364488
Energy: 1.2002918034826604
Energy: 1.293185892437071
Energy: 1.2631436010029071
Energy: 1.1650374306362614
Energy: 1.2626910045787048
Energy: 1.1650374306362614
Energy: 1.2002222204382278
Energy: 1.165037430635639
Energy: 1.2626910045749704
Energy: 1.267321671847366
Energy: 1.2269555207391623
Energy: 1.267321671845499
Energy: 1.2269555207391623
Energy: 1.2673216718448763
Energy: 1.2269555207397849
Energy: 1.2265173049571172
Energy: 1.545672115163046
Energy: 1.226518574084829
Energy: 1.5456721151611785
Energy: 1.2265173049546276
Energy: 1.5456721151624233
Energy: 1.313960686507466
Energy: 1.3357006780390333
Energy: 1.3139606865068436
Energy: 1.3357006780533203
Energy: 1.3139606865112006
Energy: 1.3357006780551874
Energy: 1.2028799341147447
Energy: 1.3170969519657054
Energy: 1.2028799341147447
Energy: 1.3170969519632159
Energy: 1.202879934115367
Energy: 1.3170969519650833
Energy: 1.4581884289618317
Energy: 1.4145825917479498
Energy: 1.458188428961209
Energy: 1.414582591748572
Energy: 1.4581884289636988
Energy: 1.4145825917473271
Energy: 1.226607944909249
Energy: 1.2686699575448628
Energy: 1.226607944908627
Energy: 1.2686699575442404
Energy: 1.226607944908627
Energy: 1.2686699575467302

minimum gb energy = 1.1650374306337719 eV
minimum distance =  2.26899374340445 Angstroms
sigma value = 27


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

Energy: 1.1794882164013256
Energy: 1.1264511572585993
Energy: 1.1794882164013256
Energy: 1.126451157260124
Energy: 1.1794882164013256
Energy: 1.126451157260124
Energy: 1.4856405987952996
Energy: 1.1993992306994328
Energy: 1.485640598796824
Energy: 1.1993992306979084
Energy: 1.4856405987998733
Energy: 1.1993992307009576
Energy: 1.1527002546286889
Energy: 1.3277519895287853
Energy: 1.1527002546332625
Energy: 1.3277519895287853
Energy: 1.1527002546332625
Energy: 1.3277519895272605
Energy: 1.2894295978197508
Energy: 1.0913047694439715
Energy: 1.2894295978182264
Energy: 1.0913047694424467
Energy: 1.2894295978167014
Energy: 1.0913047694409221
Energy: 1.2888801642120546
Energy: 1.091240473278758
Energy: 1.2888801642135792
Energy: 1.0912404732802823
Energy: 1.2888801642105299
Energy: 1.0912404732772334
Energy: 1.297470888977228
Energy: 1.3712892357925202
Energy: 1.297470888977228
Energy: 1.3712892357909956
Energy: 1.2974708889787525
Energy: 1.3712892357925202
Energy: 1.0915401955100592
Energy: 1.2013852727516772
Energy: 1.0915401955146329
Energy: 1.2013852727516772
Energy: 1.0915401955161574
Energy: 1.2013852727532017
Energy: 1.1749050779622279
Energy: 1.1268843867227125
Energy: 1.1749050779622279
Energy: 1.1268843867227125
Energy: 1.1749050779637527
Energy: 1.1268843867196632
Energy: 1.333518059878082
Energy: 1.1536438962889535
Energy: 1.333518059878082
Energy: 1.1536438962920028
Energy: 1.333518059878082
Energy: 1.1536438962965765
Energy: 1.276947679763967
Energy: 1.3471340746318041
Energy: 1.276947679763967
Energy: 1.3471340746318041
Energy: 1.276947679763967
Energy: 1.3471340746333287
Energy: 1.2063181648552512
Energy: 1.0916937190024363
Energy: 1.2063181648552512
Energy: 1.0916937190039606
Energy: 1.2063181648537264
Energy: 1.0916937190024363
Energy: 1.3655356045852731
Energy: 1.2424738129745672
Energy: 1.3655356045852731
Energy: 1.2424738129730424
Energy: 1.3655356045837486
Energy: 1.2424738129730424

minimum gb energy = 1.0912404732772334 eV
minimum distance =  2.19146290569197 Angstroms
sigma value = 9


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

Energy: 1.1434081120970692
Energy: 1.1213361907184474
Energy: 1.1434081120970692
Energy: 1.1213361907184474
Energy: 1.1434081120966406
Energy: 1.1213361907180188
Energy: 1.495040449095773
Energy: 1.0674073453543216
Energy: 1.4950404490983433
Energy: 1.0674073453534647
Energy: 1.4950404490962013
Energy: 1.0674073453543216
Energy: 1.0081592247368647
Energy: 1.4460795615178839
Energy: 1.0081592247342945
Energy: 1.4460795615234527
Energy: 1.0081592247385782
Energy: 1.4460795615260227
Energy: 1.0676506973495832
Energy: 1.0112841648222797
Energy: 1.0676506973495832
Energy: 1.0112841648278486
Energy: 1.06765069735044
Energy: 1.0112841648192812
Energy: 1.113702562986659
Energy: 1.0721368334900907
Energy: 1.113702562986659
Energy: 1.0721368334900907
Energy: 1.1137025629862305
Energy: 1.0721368334900907
Energy: 1.1244359876203096
Energy: 1.134899226670142
Energy: 1.1244359876237366
Energy: 1.1120792117250646
Energy: 1.1244359876224514
Energy: 1.1120792117224942
Energy: 1.0569835820667957
Energy: 1.1733155637381643
Energy: 1.0569835820625122
Energy: 1.173315563737736
Energy: 1.0569835820676525
Energy: 1.1733155637360224
Energy: 0.9793328969570818
Energy: 1.1849218920082953
Energy: 0.9793328969592238
Energy: 1.1849218920087237
Energy: 0.979332896958367
Energy: 1.184921892007867
Energy: 1.3404378670252424
Energy: 1.072521872080703
Energy: 1.3404378670218156
Energy: 1.072521872080703
Energy: 1.3404378670252424
Energy: 1.072521872080703
Energy: 1.1555018756590796
Energy: 1.4660125670357713
Energy: 1.1555018756577944
Energy: 1.4660125670349144
Energy: 1.1555018756616497
Energy: 1.4660125670349144
Energy: 1.0681359699823663
Energy: 1.0179666124314792
Energy: 1.0681359699836515
Energy: 1.017966612431051
Energy: 1.0681359699836515
Energy: 1.0179666124319078
Energy: 1.0450775000920642
Energy: 1.2508066903314208
Energy: 1.0450775000920642
Energy: 1.2508066903288506
Energy: 1.0450775000920642
Energy: 1.2508066903309927
Energy: 1.0986760447361235
Energy: 1.0826113777459854
Energy: 1.0986760447305544
Energy: 1.0826113777489839
Energy: 1.0986760447378368
Energy: 1.0826113777481272
Energy: 1.1396624663746295
Energy: 1.479882264425524
Energy: 1.1396624663793415
Energy: 1.479882264424667
Energy: 1.1396624663763433
Energy: 1.4798822644259522
Energy: 1.036480629279991
Energy: 1.1499738812981093
Energy: 1.0364806292804196
Energy: 1.149973881297681
Energy: 1.0364806292817046
Energy: 1.1499738812981093
Energy: 1.029861457799616
Energy: 1.087159334248493
Energy: 1.029861457799616
Energy: 1.087159334248493
Energy: 1.0298614578013296
Energy: 1.0871593342519201
Energy: 1.3128500444035236
Energy: 1.2884718176824654
Energy: 1.3128500444048088
Energy: 1.288471817682037
Energy: 1.3128500444065223
Energy: 1.2884718176713275
Energy: 1.0541508733829796
Energy: 1.0724731789296822
Energy: 1.0541508733825513
Energy: 1.0724731789301107
Energy: 1.0541508733795528
Energy: 1.0724731789301107
Energy: 0.9750141897687759
Energy: 1.407562899210493
Energy: 0.9750141897640638
Energy: 1.4075628992079228
Energy: 0.9750141897662057
Energy: 1.4075628992100646
Energy: 1.4589268877509916
Energy: 1.002642899417621
Energy: 1.458926887752705
Energy: 1.002642899417621
Energy: 1.458926887752705
Energy: 1.0026428994171925
Energy: 0.975072056828446
Energy: 1.4075666241202343
Energy: 0.9750720568340147
Energy: 1.4075666241223763
Energy: 0.9750720568224489
Energy: 1.407566624124518
Energy: 1.0541443570484543
Energy: 1.0725990412780753
Energy: 1.0541443570382125
Energy: 1.0725990412785036
Energy: 1.0541443570437423
Energy: 1.0725990412776467
Energy: 1.3127555410604377
Energy: 1.288341205695405
Energy: 1.312755541059581
Energy: 1.2883412057069707
Energy: 1.3127555410612943
Energy: 1.2883412057022587
Energy: 1.0304173329812802
Energy: 1.1115971096830461
Energy: 1.0304173329812802
Energy: 1.1115971096864732
Energy: 1.0304173329804234
Energy: 1.1115971096881865
Energy: 1.0365097083322103
Energy: 1.1501470397337916
Energy: 1.0365097083322103
Energy: 1.1501470397337916
Energy: 1.0365097083322103
Energy: 1.1501470397325064
Energy: 1.1398795422261836
Energy: 1.2439671059623993
Energy: 1.1398795422231849
Energy: 1.2439671059628274
Energy: 1.1398795422171877
Energy: 1.2439671059645412
Energy: 1.0985983877485288
Energy: 1.0824690898899558
Energy: 1.0985983877421033
Energy: 1.0824690898899558
Energy: 1.098598387754526
Energy: 1.0824690898869573
Energy: 1.0450694471253121
Energy: 1.0904054968478067
Energy: 1.045069447126597
Energy: 1.0904054968405246
Energy: 1.0450694471253121
Energy: 1.0904054968336705
Energy: 1.0680929175307663
Energy: 1.0179900411360476
Energy: 1.0680929175320515
Energy: 1.0179900411369047
Energy: 1.0680929175286635
Energy: 1.0179900411364762
Energy: 1.155538613056007
Energy: 1.459018309146088
Energy: 1.1555386130637177
Energy: 1.4590183091478015
Energy: 1.155538613065003
Energy: 1.4590183091465165
Energy: 1.3403242853779542
Energy: 1.0724615248671625
Energy: 1.3403242853783828
Energy: 1.072461524867591
Energy: 1.3403242853762412
Energy: 1.072461524867591
Energy: 0.9794170037143858
Energy: 1.1845214681737783
Energy: 0.9794170037139576
Energy: 1.1845214681737783
Energy: 0.9794170037135291
Energy: 1.1845214681737783
Energy: 1.0570676181043064
Energy: 1.1733005921888808
Energy: 1.057067618107305
Energy: 1.1733005921871675
Energy: 1.0570676181081617
Energy: 1.1733005921850252
Energy: 1.1244814345781844
Energy: 1.0886189624248417
Energy: 1.1244814345816112
Energy: 1.0886189624201295
Energy: 1.1244814345854666
Energy: 1.088618962420558
Energy: 1.1138981258715295
Energy: 1.0724375164797695
Energy: 1.1138981258706726
Energy: 1.0724375164797695
Energy: 1.1138981258706726
Energy: 1.0724375164793412
Energy: 1.067676932336796
Energy: 1.0115495563775811
Energy: 1.0676769323380813
Energy: 1.0115495563792947
Energy: 1.067676932336368
Energy: 1.0115495563835781
Energy: 1.0080473075706164
Energy: 1.4462097326370695
Energy: 1.0080473075706164
Energy: 1.446209732636641
Energy: 1.0080473075676182
Energy: 1.4462097326370695
Energy: 1.4949589237595584
Energy: 1.0674193258663882
Energy: 1.4949589237629854
Energy: 1.0674193258663882
Energy: 1.4949589237642704
Energy: 1.06741932586596
Energy: 1.1434081120987825
Energy: 1.1213361907120216
Energy: 1.1434081120979258
Energy: 1.1213361907128785
Energy: 1.1434081120974973
Energy: 1.12133619071245
Energy: 1.4950404490979148
Energy: 1.067407345353893
Energy: 1.4950404490970581
Energy: 1.0674073453543216
Energy: 1.4950404490974862
Energy: 1.0674073453543216
Energy: 1.008159224736008
Energy: 1.4460795615178839
Energy: 1.0081592247355795
Energy: 1.4460795615157418
Energy: 1.0081592247402917
Energy: 1.4460795615255946
Energy: 1.0676506973500115
Energy: 1.011284164817996
Energy: 1.0676506973508684
Energy: 1.0112841648222797
Energy: 1.0676506973487265
Energy: 1.0112841648184243
Energy: 1.1137025629862305
Energy: 1.0721368334879484
Energy: 1.1137025629853738
Energy: 1.0721368334879484
Energy: 1.113702562985802
Energy: 1.0721368334879484

minimum gb energy = 0.9750141897640638 eV
minimum distance =  2.26628918125296 Angstroms
sigma value = 57


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

Energy: 0.4999831446008033
Energy: 0.5124936289412498
Energy: 0.4999831446008033
Energy: 0.5124936289412498
Energy: 0.4999831446008033
Energy: 0.5124936289412498
Energy: 0.6611813440865331
Energy: 0.5012432206572914
Energy: 0.661181344085558
Energy: 0.5012432206563162
Energy: 0.6611813440865331
Energy: 0.5012432206572914
Energy: 0.5717448615248963
Energy: 0.6363913841147374
Energy: 0.5717448615239212
Energy: 0.6363913841147374
Energy: 0.5717448615248963
Energy: 0.6363913841147374
Energy: 0.5133478466406478
Energy: 0.4993264564850296
Energy: 0.5133478466484488
Energy: 0.49932645648600477
Energy: 0.5133478466377224
Energy: 0.4993264564850296
Energy: 0.6606537879035181
Energy: 0.6679592767313154
Energy: 0.660653787902543
Energy: 0.6679592767313154
Energy: 0.6606537879035181
Energy: 0.6679592767313154
Energy: 0.49952329200838436
Energy: 0.5716838091916476
Energy: 0.49952329200740925
Energy: 0.5716838091906725
Energy: 0.49952329200838436
Energy: 0.5716838091906725
Energy: 0.49953257553747066
Energy: 0.5717424319872848
Energy: 0.4995325755364955
Energy: 0.5717424319872848
Energy: 0.49953257553747066
Energy: 0.5717424319872848
Energy: 0.6607539209584558
Energy: 0.6680335472642042
Energy: 0.6607539209584558
Energy: 0.6680335472651792
Energy: 0.6607539209584558
Energy: 0.6680335472642042
Energy: 0.5133379950230562
Energy: 0.4993133351985471
Energy: 0.5133379950250065
Energy: 0.49931333519952226
Energy: 0.5133379950269569
Energy: 0.49931333519952226
Energy: 0.5719542586491005
Energy: 0.6357359193558276
Energy: 0.5719542586491005
Energy: 0.6357359193558276
Energy: 0.5719542586491005
Energy: 0.6357359193558276
Energy: 0.6609352251779566
Energy: 0.49943048726173883
Energy: 0.6609352251769814
Energy: 0.49943048725978856
Energy: 0.6609352251769814
Energy: 0.49943048727051503
Energy: 0.4999831446008033
Energy: 0.5124936289412498
Energy: 0.4999831446008033
Energy: 0.5124936289422249
Energy: 0.4999831446008033
Energy: 0.5124936289422249
Energy: 0.6611813440865331
Energy: 0.5012432206563162
Energy: 0.6611813440865331
Energy: 0.5012432206572914
Energy: 0.6611813440865331
Energy: 0.5012432206582664
Energy: 0.5717448615248963
Energy: 0.6363913841147374
Energy: 0.5717448615248963
Energy: 0.6363913841147374
Energy: 0.5717448615248963
Energy: 0.6363913841147374
Energy: 0.5133478466474737
Energy: 0.4993264564850296
Energy: 0.5133478466474737
Energy: 0.4993264564850296
Energy: 0.5133478466464986
Energy: 0.4993264564850296
Energy: 0.660653787902543
Energy: 0.6679592767313154
Energy: 0.660653787902543
Energy: 0.6679592767313154
Energy: 0.6606537879035181
Energy: 0.6679592767313154
Energy: 0.49952329200740925
Energy: 0.5716838091887223
Energy: 0.49952329200838436
Energy: 0.5716838091926227
Energy: 0.4995232920093595
Energy: 0.5716838091896974
Energy: 0.4995325755364955
Energy: 0.5717424319863097
Energy: 0.4995325755364955
Energy: 0.5717424319872848
Energy: 0.49953257553747066
Energy: 0.5717424319872848
Energy: 0.6607539209584558
Energy: 0.6680335472651792
Energy: 0.6607539209574806
Energy: 0.6680335472642042
Energy: 0.6607539209584558
Energy: 0.6680335472642042

minimum gb energy = 0.4993133351985471 eV
minimum distance =  2.4133122403269 Angstroms
sigma value = 11


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

Energy: 1.0229165289376636
Energy: 1.1007679038351477
Energy: 1.022916528936235
Energy: 1.1007679038358618
Energy: 1.0229165289376636
Energy: 1.1007679038358618
Energy: 1.1460595543857464
Energy: 1.0567512289288286
Energy: 1.1460595543857464
Energy: 1.0567512289288286
Energy: 1.1460595543857464
Energy: 1.0567512289288286
Energy: 1.1091542611471694
Energy: 1.4409324054565882
Energy: 1.1091542611471694
Energy: 1.440932405455874
Energy: 1.109154261146455
Energy: 1.4409324054551595
Energy: 1.232264032962589
Energy: 0.9014308333131866
Energy: 1.2322640329611605
Energy: 0.901430833311758
Energy: 1.232264032962589
Energy: 0.901430833311758
Energy: 1.0419629855529133
Energy: 0.8633643974010843
Energy: 1.0419629855536277
Energy: 0.8633643974010843
Energy: 1.0419629855521992
Energy: 0.86336439740037
Energy: 1.038034651676383
Energy: 1.1663924402067138
Energy: 1.038034651676383
Energy: 1.1663924402067138
Energy: 1.0380346516756687
Energy: 1.1663924402067138
Energy: 0.9422220781783422
Energy: 1.2021927970096449
Energy: 0.864980978783256
Energy: 1.2021927970089306
Energy: 0.864980978783256
Energy: 1.2021927970082165
Energy: 1.1046364053546585
Energy: 0.82821242797083
Energy: 1.1046364053553728
Energy: 0.82821242797083
Energy: 1.1046364053546585
Energy: 0.8282124279715443
Energy: 1.0859047918408107
Energy: 0.8305971122949732
Energy: 1.085904791839382
Energy: 0.8305971122949732
Energy: 1.0859047918422393
Energy: 0.8305971122949732
Energy: 0.8534153154195383
Energy: 1.3317960825337523
Energy: 0.8534153154181097
Energy: 1.331796082533038
Energy: 0.8534153154216811
Energy: 1.3317960825337523
Energy: 1.2617448897038817
Energy: 1.3191850949742245
Energy: 1.2617448897003103
Energy: 1.3191850949742245
Energy: 1.261744889702453
Energy: 1.3191850949742245
Energy: 1.043283945728792
Energy: 0.8657588683267393
Energy: 1.043283945728792
Energy: 0.8657588683267393
Energy: 1.043283945729506
Energy: 0.8657588683253108
Energy: 1.1221108630892422
Energy: 0.9063965875236873
Energy: 1.122110863088528
Energy: 0.9063965875236873
Energy: 1.1221108630906707
Energy: 0.9063965875236873
Energy: 1.1660573277133588
Energy: 1.4122809082261214
Energy: 1.1660573277133588
Energy: 1.4122809082232644
Energy: 1.1660573277126447
Energy: 1.4122809082282641
Energy: 1.1472059538766588
Energy: 1.0594035885607442
Energy: 1.1472059538759445
Energy: 1.0594035885607442
Energy: 1.1472059538766588
Energy: 1.0594035885613935
Energy: 0.949117499900105
Energy: 1.0999234327931438
Energy: 0.9491174999015336
Energy: 1.0999234327938583
Energy: 0.9491174999015336
Energy: 1.0999234327938583
Energy: 0.9820946011119582
Energy: 1.055999322024493
Energy: 0.9820946011119582
Energy: 1.055999322024493
Energy: 0.982094601113387
Energy: 1.055999322024493
Energy: 1.3550865185484915
Energy: 1.3785499874450942
Energy: 1.3550865185484915
Energy: 1.3785499874465228
Energy: 1.3550865185477774
Energy: 1.3785499874465228
Energy: 1.2197132007422176
Energy: 0.8990742028789335
Energy: 1.2197132007415032
Energy: 0.8990742028796477
Energy: 1.2197132007429319
Energy: 0.8990742028782192
Energy: 1.043238684801231
Energy: 0.9910715983967324
Energy: 1.043238684801231
Energy: 0.9910715983960181
Energy: 1.0432386848005166
Energy: 0.9910715983967324
Energy: 0.8520841069123539
Energy: 1.1671413702472313
Energy: 0.8520841069123539
Energy: 1.1671413702472313
Energy: 0.8520841069137828
Energy: 1.1671413702472313
Energy: 1.072647848147008
Energy: 1.2023835159469658
Energy: 1.0726478481477222
Energy: 1.2023835159462517
Energy: 1.0726478481441508
Energy: 1.2023835159455374
Energy: 1.1941513381526052
Energy: 1.0042533422461517
Energy: 1.1941513381526052
Energy: 1.0042533422468658
Energy: 1.1941513381526052
Energy: 1.0042533422468658
Energy: 1.085696833507935
Energy: 0.9503827980925803
Energy: 1.085696833507935
Energy: 0.950382798091866
Energy: 1.085696833507935
Energy: 0.9503827980925803
Energy: 0.8523437652088129
Energy: 1.3310011266978994
Energy: 0.8523437652088129
Energy: 1.3310011266978994
Energy: 0.8523437652088129
Energy: 1.3310011266986135
Energy: 1.5279540932447861
Energy: 1.3243369331346735
Energy: 1.5279540932455002
Energy: 1.3243369331346735
Energy: 1.5279540932440716
Energy: 1.3243369331353878

minimum gb energy = 0.82821242797083 eV
minimum distance =  2.27646107037553 Angstroms
sigma value = 41


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

Energy: 1.1492544441642205
Energy: 0.9575361239197318
Energy: 1.1492544441636576
Energy: 0.9575361239186058
Energy: 1.1492544441647836
Energy: 0.9575361239208577
Energy: 1.2125696039522484
Energy: 1.237272505873914
Energy: 1.2125696039516856
Energy: 1.2372725058744771
Energy: 1.2125696039522484
Energy: 1.237272505873914
Energy: 1.4440033130637255
Energy: 1.6546783307227457
Energy: 1.4440033130631624
Energy: 1.6546783307227457
Energy: 1.4440033130620364
Energy: 1.6546783307238717
Energy: 1.1080220245228463
Energy: 0.9543522956282295
Energy: 1.1080220245228463
Energy: 0.9543522956282295
Energy: 1.1080220245228463
Energy: 0.9543522956276667
Energy: 0.9129525982289773
Energy: 1.0067796254321877
Energy: 0.9129525982284143
Energy: 1.0067796254316248
Energy: 0.9129525982289773
Energy: 1.0067796254321877
Energy: 1.183434293652891
Energy: 1.4086742579710585
Energy: 1.183434293652891
Energy: 1.4086742579710585
Energy: 1.183434293653454
Energy: 1.4086742579716214
Energy: 0.955057970135953
Energy: 1.3994976920508564
Energy: 0.955057970135953
Energy: 1.3994976920508564
Energy: 0.9550579701365159
Energy: 1.3994976920502933
Energy: 0.9407481910349992
Energy: 0.954552650972646
Energy: 0.9407481910355622
Energy: 0.954552650972646
Energy: 0.9407481910361252
Energy: 0.954552650972083
Energy: 0.9327853248096889
Energy: 0.9877323719226666
Energy: 0.9327853248091259
Energy: 0.9877323719226666
Energy: 0.9327853248096889
Energy: 0.9877323719232296
Energy: 1.0270346402170185
Energy: 1.5060764442321122
Energy: 1.0270346402170185
Energy: 1.5060764442321122
Energy: 1.0270346402175816
Energy: 1.5060764442321122
Energy: 1.0230378960551292
Energy: 1.507471385986848
Energy: 1.0230378960551292
Energy: 1.507471385986848
Energy: 1.0230378960551292
Energy: 1.507471385987411
Energy: 0.9226008072248405
Energy: 1.1139090074119613
Energy: 0.9226008072248405
Energy: 1.1139090074125246
Energy: 0.9226008072259667
Energy: 1.1139090074119613
Energy: 0.9372060920201611
Energy: 0.9545675173769438
Energy: 0.9372060920201611
Energy: 0.9545675173780698
Energy: 0.9372060920207241
Energy: 0.9545675173769438
Energy: 0.8917686434220516
Energy: 1.3093593747109842
Energy: 0.8917686434220516
Energy: 1.309359374711547
Energy: 0.8917686434214888
Energy: 1.3093593747098582
Energy: 1.1863853832475726
Energy: 1.4101651346319934
Energy: 1.1863853832470095
Energy: 1.4101651346325563
Energy: 1.1863853832470095
Energy: 1.4101651346319934
Energy: 0.8924287827531673
Energy: 1.141625063117666
Energy: 0.8924287827504036
Energy: 1.1416250631182292
Energy: 0.8924287827520414
Energy: 1.141625063118792
Energy: 0.9462078376037218
Energy: 0.9544649184544588
Energy: 0.9462078376087887
Energy: 0.9544649184527698
Energy: 0.9462078376054107
Energy: 0.9544649184522069
Energy: 1.2496910621196944
Energy: 1.6577286781350289
Energy: 1.2496910621202575
Energy: 1.6577286781361549
Energy: 1.2496910621208204
Energy: 1.6577286781355915
Energy: 1.2327556336296435
Energy: 1.236023180906769
Energy: 1.2327556336296435
Energy: 1.236023180907332
Energy: 1.2327556336302066
Energy: 1.236023180906769
Energy: 1.0232091718377638
Energy: 1.0481072328272887
Energy: 1.0232091718400158
Energy: 1.0481072328289778
Energy: 1.0232091718377638
Energy: 1.0481072328289778
Energy: 0.9319595651616529
Energy: 1.2186513514049795
Energy: 0.931959565166157
Energy: 1.2186513514061053
Energy: 0.9319595651639049
Energy: 1.2186513514055421
Energy: 1.0936690764787738
Energy: 1.5500338969387868
Energy: 1.093669076477648
Energy: 1.5500338969393501
Energy: 1.093669076477085
Energy: 1.550033896937661
Energy: 1.1094456593428552
Energy: 0.9521769506206212
Energy: 1.1094456593428552
Energy: 0.9521769506206212
Energy: 1.1094456593439812
Energy: 0.9521769506200582
Energy: 0.8926351969415681
Energy: 1.1269295717833283
Energy: 0.8926351969398792
Energy: 1.1269295717833283
Energy: 0.8926351969415681
Energy: 1.1269295717827652
Energy: 0.8934381218505353
Energy: 1.321220168211719
Energy: 0.8934381218510982
Energy: 1.321220168211719
Energy: 0.8934381218510982
Energy: 1.321220168211156
Energy: 0.9549637064816612
Energy: 1.303065261193135
Energy: 0.9549637064816612
Energy: 1.303065261192009
Energy: 0.954963706483862
Energy: 1.303065261193135
Energy: 0.9365084226185406
Energy: 0.9518872787209215
Energy: 0.9365084226196666
Energy: 0.9518872787214845
Energy: 0.9365084226191036
Energy: 0.9518872787214845
Energy: 0.9331530606945847
Energy: 1.1085135633787282
Energy: 0.9331530606945847
Energy: 1.1085135633787282
Energy: 0.9331530606940218
Energy: 1.1085135633781653
Energy: 1.02354292742105
Energy: 1.2625260071225897
Energy: 1.02354292742105
Energy: 1.262526007123153
Energy: 1.023542927422176
Energy: 1.2625260071225897
Energy: 1.375614802796879
Energy: 1.2515503457055341
Energy: 1.3756148027957533
Energy: 1.251550345703282
Energy: 1.375614802796879
Energy: 1.2515503457044082
Energy: 0.9162429361733752
Energy: 1.115596090418134
Energy: 0.9162429361733752
Energy: 1.115596090418134
Energy: 0.9162429361733752
Energy: 1.115596090418134
Energy: 0.9491533338351085
Energy: 0.9700327868677426
Energy: 0.9491533338345455
Energy: 0.9700327868677426
Energy: 0.9491533338351085
Energy: 0.9700327868683056
Energy: 0.8930939277653249
Energy: 1.1618586366894073
Energy: 0.8930939277658879
Energy: 1.1618586366894073
Energy: 0.8930939277658879
Energy: 1.1618586366899704

minimum gb energy = 0.8917686434214888 eV
minimum distance =  2.30525217354004 Angstroms
sigma value = 33


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

Energy: 1.1306663906333647
Energy: 1.041711196889298
Energy: 1.0831944799698572
Energy: 1.041711196889298
Energy: 1.1306663906330057
Energy: 1.0417111968873585
Energy: 1.1699781811178211
Energy: 0.9992764125121896
Energy: 1.1699781811189707
Energy: 0.9992764125125488
Energy: 1.1699781811189707
Energy: 0.9992764125204512
Energy: 1.0859497470289452
Energy: 1.5354520646067917
Energy: 1.0859497470308845
Energy: 1.5354520646060015
Energy: 1.0859497470293042
Energy: 1.5354520646040621
Energy: 1.1130188842274935
Energy: 1.0239577933348527
Energy: 1.1130188842279245
Energy: 1.0239577933344937
Energy: 1.113018884226344
Energy: 1.0239577933324822
Energy: 1.0399957615717987
Energy: 1.0257457259516156
Energy: 1.040082689892166
Energy: 1.0257457259516156
Energy: 1.0399957615721578
Energy: 1.025745725941774
Energy: 1.3380936758469948
Energy: 1.0095093213739224
Energy: 1.3380936758466357
Energy: 1.009509321372701
Energy: 1.338093675847426
Energy: 1.009509321372701
Energy: 1.0553419528494843
Energy: 1.2000930680233821
Energy: 1.0553419528502743
Energy: 1.2000930680238133
Energy: 1.0553419528490533
Energy: 1.2000930680238133
Energy: 1.143076894024305
Energy: 1.0710623002767308
Energy: 1.1430768940211442
Energy: 1.0710623002767308
Energy: 1.1430768940227245
Energy: 1.071062300278742
Energy: 1.0865355198740354
Energy: 1.0760465627095346
Energy: 1.086613496848803
Energy: 1.0760465627098939
Energy: 1.0865355198740354
Energy: 1.0760465627098939
Energy: 1.4055728468737914
Energy: 1.0341123068853253
Energy: 1.4055728468718516
Energy: 1.0341123068853253
Energy: 1.4055728468737914
Energy: 1.0341123068904976
Energy: 1.114227543401188
Energy: 1.0630824140743365
Energy: 1.1142275434031275
Energy: 1.0630824140743365
Energy: 1.114227543400757
Energy: 1.063082414072756
Energy: 1.6240915764009836
Energy: 1.0240731634108018
Energy: 1.6240915764037853
Energy: 1.0240731634108018
Energy: 1.6240915764014145
Energy: 1.0240731634194942
Energy: 1.0261533797157663
Energy: 1.0865196868623828
Energy: 1.0261533797192866
Energy: 1.0865196868636042
Energy: 1.0261533797153353
Energy: 1.0865196868691358
Energy: 1.0822801971377993
Energy: 1.1099107957229255
Energy: 1.0822801971306872
Energy: 1.1099107957237155
Energy: 1.0822801971373683
Energy: 1.1099107957296064
Energy: 1.0725687036288751
Energy: 1.0044778535363355
Energy: 1.072568703624493
Energy: 1.0044778535363355
Energy: 1.0725687036280849
Energy: 1.0044778535312349
Energy: 1.0640179464466457
Energy: 1.3273919219044379
Energy: 1.064017946444706
Energy: 1.3273919219044379
Energy: 1.0640179464470765
Energy: 1.3273919219008459
Energy: 0.9773258341298924
Energy: 1.036155535729755
Energy: 0.9773258341468464
Energy: 1.036155535729755
Energy: 0.9773258341602802
Energy: 1.0361555357305452
Energy: 1.0221670705113548
Energy: 1.0866724000148171
Energy: 1.022166618712158
Energy: 1.0866724000140269
Energy: 1.0221670705113548
Energy: 1.086672400021139
Energy: 1.5381972993291038
Energy: 1.076025069413446
Energy: 1.5381972993267332
Energy: 1.0760250694154572
Energy: 1.5381972993267332
Energy: 1.076025069407986
Energy: 1.3283246669983746
Energy: 1.0500869558088632
Energy: 1.3283246669948543
Energy: 1.0500869558084323
Energy: 1.3283246669980155
Energy: 1.0500869558104438
Energy: 1.0317962917834764
Energy: 1.0828943266780182
Energy: 1.0317962917850567
Energy: 1.082894326677228
Energy: 1.0317962917838355
Energy: 1.082894326674067
Energy: 0.996802514338005
Energy: 1.1711823204900051
Energy: 0.9968032765155743
Energy: 1.1711823204868441
Energy: 0.996802514338005
Energy: 1.1711823204915857
Energy: 1.4726596532864618
Energy: 1.315651753419894
Energy: 1.4726596532888323
Energy: 1.3156517534202532
Energy: 1.4726596532864618
Energy: 1.3156517534186727
Energy: 1.0277473875574106
Energy: 1.1118113756845227
Energy: 1.0277473875526693
Energy: 1.1118113756793502
Energy: 1.0277473875574106
Energy: 1.111811375664336
Energy: 1.02509366652025
Energy: 1.036079853577168
Energy: 1.0250936665214714
Energy: 1.036079853577168
Energy: 1.0250936665123478
Energy: 1.036079853583921
Energy: 1.0079862647822506
Energy: 1.2636868449556797
Energy: 1.0079862647814606
Energy: 1.2636868449556797
Energy: 1.0079862647818199
Energy: 1.2636868449569012
Energy: 1.1216810055874518
Energy: 1.0556946590141778
Energy: 1.1216810055929833
Energy: 1.0556946590146088
Energy: 1.1216810055866615
Energy: 1.0556946590146088
Energy: 1.1237641908366125
Energy: 1.0275217456584336
Energy: 1.0732105141162807
Energy: 1.0275217456584336
Energy: 1.1237641908366125
Energy: 1.0275217456600139
Energy: 1.0777354283622622
Energy: 1.0869613676890972
Energy: 1.077735428359101
Energy: 1.0869613676903183
Energy: 1.0777354283602505
Energy: 1.086961367702531
Energy: 1.032461369996954
Energy: 1.4046618960598196
Energy: 1.0324613699957328
Energy: 1.4046618960598196
Energy: 1.032461369996954
Energy: 1.4046618960626214
Energy: 1.0281463051691435
Energy: 1.0230774463474632
Energy: 1.0281463051750341
Energy: 1.0230774463478225
Energy: 1.0281463051691435
Energy: 1.023077446350624
Energy: 1.0277738572046151
Energy: 1.6201646801925476
Energy: 1.0277772833234855
Energy: 1.6201646801921166
Energy: 1.027773857205046
Energy: 1.6201646801834957
Energy: 1.0874165373665752
Energy: 1.0188138940647202
Energy: 1.0874165373689457
Energy: 1.01881389406393
Energy: 1.0874165373665752
Energy: 1.0188138940742029
Energy: 1.1078836739728561
Energy: 1.0763229795465854
Energy: 1.107883673972497
Energy: 1.0763229795470164
Energy: 1.107883673972497
Energy: 1.0763229795430653
Energy: 1.0600436530616872
Energy: 1.0761783822989446
Energy: 1.0600436530703798
Energy: 1.0761783822993036
Energy: 1.0600436530628365
Energy: 1.0761783822961428
Energy: 1.32819128662605
Energy: 1.0711679988017295
Energy: 1.3279590106866672
Energy: 1.0711679988021603
Energy: 1.3281912866268402
Energy: 1.0711679987989995
Energy: 1.028124489137268
Energy: 1.5717151426872091
Energy: 1.028124489138058
Energy: 1.5717151426872091
Energy: 1.0281244891364778
Energy: 1.571715142680097
Energy: 1.081169034065603
Energy: 1.0228938463940418
Energy: 1.0811690340616518
Energy: 1.022893846394832
Energy: 1.0811690340652438
Energy: 1.0228938464063262
Energy: 1.0806654423835282
Energy: 1.3917593239621369
Energy: 1.0806634057518159
Energy: 1.3917593239613466
Energy: 1.0806654423830973
Energy: 1.391759323958617
Energy: 1.0267356471782019
Energy: 1.086495846325966
Energy: 1.026735647172239
Energy: 1.0864958463243855
Energy: 1.026735647178561
Energy: 1.086495846322805
Energy: 1.073035343914759
Energy: 1.0257201262059779
Energy: 1.0730353439139688
Energy: 1.0257201262059779
Energy: 1.073035343914328
Energy: 1.025720126214239
Energy: 1.1752879920646258
Energy: 1.0039670174722908
Energy: 1.1752879920662063
Energy: 1.0039670174718598
Energy: 1.1752879920641948
Energy: 1.0039670174754518
Energy: 1.0587112551197746
Energy: 1.3236344964983981
Energy: 1.0587112551245161
Energy: 1.3236344964980387
Energy: 1.0587112551202056
Energy: 1.3236344965075217
Energy: 0.9725666521951506
Energy: 1.0383531970673463
Energy: 0.9725666521924208
Energy: 1.0383531970677056
Energy: 0.9725666521943603
Energy: 1.0383531970570734
Energy: 1.028127130541389
Energy: 1.0798619004298649
Energy: 1.0281266524712658
Energy: 1.0798619004282843
Energy: 1.028127130541389
Energy: 1.0798619004330257
Energy: 1.4008980864790965
Energy: 1.2027850114308642
Energy: 1.4008980864794558
Energy: 1.2027850114308642
Energy: 1.4008980864794558
Energy: 1.2027850114348153
Energy: 0.9967626152864562
Energy: 1.126478055724762
Energy: 0.9967626152809244
Energy: 1.1264780557267016
Energy: 0.9967626152864562
Energy: 1.12647805572117

minimum gb energy = 0.9725666521924208 eV
minimum distance =  2.28750685612869 Angstroms
sigma value = 67


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

Energy: 1.126195368509724
Energy: 1.0383593164904237
Energy: 1.126195368509724
Energy: 1.0383593164904237
Energy: 1.126195368509724
Energy: 1.0383593164904237
Energy: 1.1041000458388834
Energy: 1.0008502248086006
Energy: 1.1041000458388834
Energy: 1.0008502248086006
Energy: 1.104100045841524
Energy: 1.0008502248086006
Energy: 1.6169857177565001
Energy: 1.2635755973394764
Energy: 0.9957543766115055
Energy: 1.2635755973394764
Energy: 0.9957543766115055
Energy: 1.2635755973394764
Energy: 1.104118777004529
Energy: 1.0008156871347833
Energy: 1.1041187770071699
Energy: 1.0008156871347833
Energy: 1.1041187770071699
Energy: 1.0008156871347833
Energy: 1.1261953685070831
Energy: 1.038359316487783
Energy: 1.1261953685070831
Energy: 1.038359316487783
Energy: 1.126195368509724
Energy: 1.038359316487783
Energy: 1.104100045841524
Energy: 1.0008502248112412
Energy: 1.104100045841524
Energy: 1.0008502248112412
Energy: 1.104100045841524
Energy: 1.0008502248112412
Energy: 1.6169857177538594
Energy: 1.263575597342117
Energy: 0.9957543766115055
Energy: 1.263575597342117
Energy: 0.9957543766115055
Energy: 1.2635755973394764

minimum gb energy = 0.9957543766115055 eV
minimum distance =  2.29646035651231 Angstroms
sigma value = 3


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

Energy: 1.387440842259319
Energy: 1.2208494637882779
Energy: 1.387440842259319
Energy: 1.2208494637882779
Energy: 1.387440842259319
Energy: 1.2208494637918712
Energy: 1.2978628058927122
Energy: 1.15973825602414
Energy: 1.2978628058963055
Energy: 1.1597382560277334
Energy: 1.2978628058963055
Energy: 1.1597382560277334
Energy: 1.218113768573125
Energy: 1.4129928028117715
Energy: 1.218113768573125
Energy: 1.4129928028117715
Energy: 1.218113768573125
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Energy: 1.306410285654097
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Energy: 1.2585997691686446
Energy: 1.3083285408094671
Energy: 1.2585997691651165
Energy: 1.3083284398126271
Energy: 1.2585997691686446
Energy: 1.1910616953825452
Energy: 1.3106940856468596
Energy: 1.1910616953860733
Energy: 1.3106940856504532
Energy: 1.1910616953825452
Energy: 1.3106940856504532
Energy: 1.4576229245441241
Energy: 1.147752456840322
Energy: 1.4576229245441241
Energy: 1.147752456840322
Energy: 1.4576229245441241
Energy: 1.147752456840322
Energy: 1.1660263974657006
Energy: 1.4735170371508768
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Energy: 1.4735170371508768
Energy: 1.1660263974657006
Energy: 1.4735170371508768
Energy: 1.3023041104476245
Energy: 1.1596612550801186
Energy: 1.3023041104476245
Energy: 1.1596612550801186
Energy: 1.302304110444031
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Energy: 1.2678079312288524
Energy: 1.2633597382031738
Energy: 1.2678079312252588
Energy: 1.2633597303045538
Energy: 1.2678079312288524
Energy: 1.2633597177832698
Energy: 1.349771901556
Energy: 1.166669667335291
Energy: 1.349771901556
Energy: 1.166669667335291
Energy: 1.349771901556
Energy: 1.1666696673388846
Energy: 1.2028098023396279
Energy: 1.3465960873427534
Energy: 1.2028098023396279
Energy: 1.346596087346347
Energy: 1.2028098023432212
Energy: 1.3465960873499403
Energy: 1.2503664971317456
Energy: 1.1697116758385158
Energy: 1.2503664971353392
Energy: 1.1697116758421096
Energy: 1.2503664971317456
Energy: 1.1697116758385158
Energy: 1.1903309690359227
Energy: 1.2689711723268176
Energy: 1.190330969039516
Energy: 1.2689711723268176
Energy: 1.1903309690359227
Energy: 1.2689711723268176
Energy: 1.2686513174014928
Energy: 1.27052710470985
Energy: 1.2686513174014928
Energy: 1.27052710470985
Energy: 1.2686513174050862
Energy: 1.27052710470985
Energy: 1.2027856092573697
Energy: 1.2572068099438949
Energy: 1.2027856092537763
Energy: 1.2572068099438949
Energy: 1.2027856092573697
Energy: 1.2572068099403015

minimum gb energy = 1.1406810265604095 eV
minimum distance =  2.20864411075263 Angstroms
sigma value = 81


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

Energy: 1.3183074952721578
Energy: 1.2189803325016257
Energy: 1.318307495272651
Energy: 1.2189803325016257
Energy: 1.318307495272651
Energy: 1.2189803325016257
Energy: 1.195103349076507
Energy: 1.1679154626452664
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Energy: 1.1951033490755205
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Energy: 1.36478776664351
Energy: 1.3486787409818235
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Energy: 1.3486787409818235
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Energy: 1.3486787409823167
Energy: 1.2183537876141282
Energy: 1.2491976168371943
Energy: 1.2183537876146215
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Energy: 1.2183537876136352
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Energy: 1.1641879883930655
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Energy: 1.1641879883901063
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Energy: 1.1641879883915858
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Energy: 1.15955150555079
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Energy: 1.3005686604556959
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Energy: 1.2213620482710832
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Energy: 1.3715562628739093
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Energy: 1.3715562628714435
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Energy: 1.2278368853262815
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Energy: 1.3379138138914082
Energy: 1.2871216297107912
Energy: 1.3379138138899285
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Energy: 1.4698834742511866
Energy: 1.3004746398201552
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Energy: 1.3004746398201552
Energy: 1.4698834742516798
Energy: 1.1344905283312465
Energy: 1.2195930988652592
Energy: 1.1344905283302602
Energy: 1.2195930988652592
Energy: 1.1344905283312465
Energy: 1.2195930988657526
Energy: 1.1735743987509752
Energy: 1.1282529798537984
Energy: 1.173574398749989
Energy: 1.1282529798567578
Energy: 1.1735743987490026
Energy: 1.1282529798572507
Energy: 1.2371347835525026
Energy: 1.1941345585366916
Energy: 1.237134783545598
Energy: 1.1941345585371845
Energy: 1.2371347835475706
Energy: 1.1941345585366916
Energy: 1.3488544730939094
Energy: 1.0965382433119912
Energy: 1.3488544730944028
Energy: 1.0965382433124844
Energy: 1.3488544730944028
Energy: 1.0965382433119912
Energy: 1.2484536769429493
Energy: 1.3009492835585645
Energy: 1.2484536769444288
Energy: 1.300949283559058
Energy: 1.2484536769439356
Energy: 1.300949283559058
Energy: 1.1640291261138964
Energy: 1.2231894997327206
Energy: 1.1640291261134033
Energy: 1.223189499733214
Energy: 1.16402912611291
Energy: 1.2231894997312411
Energy: 1.129069168183924
Energy: 1.2133093495708454
Energy: 1.1290691681834308
Energy: 1.2133058852511531
Energy: 1.1290691681849103
Energy: 1.2130377644495733
Energy: 1.129451093501283
Energy: 1.1109031841235002
Energy: 1.129451093501283
Energy: 1.1109031841235002
Energy: 1.1294510935002966
Energy: 1.1109031841235002
Energy: 1.1848688394544356
Energy: 1.59635120799586
Energy: 1.184868839458381
Energy: 1.5963512079973394
Energy: 1.1848688394549287
Energy: 1.59635120799586
Energy: 1.3724697323709933
Energy: 1.2486622234765317
Energy: 1.3724697323700066
Energy: 1.2486622234715998
Energy: 1.372469732366061
Energy: 1.2486622234765317
Energy: 1.2370557535305866
Energy: 1.180043305632891
Energy: 1.2370557535271343
Energy: 1.1800433056368367
Energy: 1.2370557535300934
Energy: 1.1800433056363435
Energy: 1.1549014769972201
Energy: 1.1336654173397374
Energy: 1.1549014769962338
Energy: 1.1336654173402307
Energy: 1.1549014769977135
Energy: 1.1336654173392442

minimum gb energy = 1.0961850789082503 eV
minimum distance =  2.3097290270433 Angstroms
sigma value = 43


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

Energy: 1.4189075290662059
Energy: 1.2009680791058774
Energy: 1.4189075290662059
Energy: 1.2009680791058774
Energy: 1.4189075290668116
Energy: 1.2009680791058774
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Energy: 1.234174665996595
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Energy: 1.350400470351581
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Energy: 1.2727562630671765
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Energy: 1.3476006214904206
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Energy: 1.2044048131708582
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Energy: 1.2621735459359635
Energy: 1.291876218332462
Energy: 1.137012552600723
Energy: 1.2918762183330674
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Energy: 1.2918762183318562
Energy: 1.1370125525995114
Energy: 1.2980573013437795
Energy: 1.1990944895668478
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Energy: 1.2980573013468084
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Energy: 1.2585377631454508
Energy: 1.1580744298877967
Energy: 1.2585377631412102
Energy: 1.1580744298884027
Energy: 1.2585377631412102
Energy: 1.1580744298884027
Energy: 1.291803341213697
Energy: 1.2478951694864806
Energy: 1.291803341211907
Energy: 1.2478951694864806
Energy: 1.291803341213697
Energy: 1.2478951694864806
Energy: 1.1892473382888429
Energy: 1.2002806300495301
Energy: 1.189247338288237
Energy: 1.2002806300513478
Energy: 1.189247338288237
Energy: 1.2002806300489244
Energy: 1.2597821547524537
Energy: 1.2357221483304215
Energy: 1.2597821547524537
Energy: 1.2357221483304215
Energy: 1.259782154751848
Energy: 1.2357221483304215
Energy: 1.1118613039037684
Energy: 1.2602963207853006
Energy: 1.1118613039037684
Energy: 1.2602963207853006
Energy: 1.1118613039031624
Energy: 1.260296320784695
Energy: 1.2767591635324238
Energy: 1.2311116415854078
Energy: 1.276759163534241
Energy: 1.2311116415854078
Energy: 1.2767591635348468
Energy: 1.231111641584802
Energy: 1.1779745784471225
Energy: 1.178588652954917
Energy: 1.1779745784465168
Energy: 1.178588652954917
Energy: 1.1779745784471225
Energy: 1.1785886529555227
Energy: 1.2974022241115966
Energy: 1.2166177471415789
Energy: 1.2974022241109908
Energy: 1.2166177471421844
Energy: 1.2974022241109908
Energy: 1.216617747140367
Energy: 1.2150424390742263
Energy: 1.325325240149314
Energy: 1.2150424390730419
Energy: 1.325325240149314
Energy: 1.2150424390742263
Energy: 1.325325240149314
Energy: 1.3261750230439608
Energy: 1.209404800186132
Energy: 1.3261750230415652
Energy: 1.2094048001867375
Energy: 1.3261750230421434
Energy: 1.2094048001867375
Energy: 1.1778585662615382
Energy: 1.2764972002698118
Energy: 1.1778585662615382
Energy: 1.2764972002686001
Energy: 1.1778585662615382
Energy: 1.2764972002686001
Energy: 1.2461295177206446
Energy: 1.2705619290595913
Energy: 1.2461295177206446
Energy: 1.2705619290595913
Energy: 1.2461295177212504
Energy: 1.2705619290589856
Energy: 1.1711190717370783
Energy: 1.2317279419468066
Energy: 1.1711190717388957
Energy: 1.2317279419468066
Energy: 1.1711190717388957
Energy: 1.2317279419468066

minimum gb energy = 1.110659831202385 eV
minimum distance =  2.2596418862214 Angstroms
sigma value = 57


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

Energy: 1.3354974714600414
Energy: 1.1653673304863685
Energy: 1.2466973332290088
Energy: 1.1653673304871532
Energy: 1.3354974714584729
Energy: 1.1653673304863685
Energy: 1.2743286625176744
Energy: 1.1177537252622556
Energy: 1.2743286625137524
Energy: 1.117753725261471
Energy: 1.2743286625145367
Energy: 1.117753725261471
Energy: 1.2781565181195995
Energy: 1.3095530438220924
Energy: 1.2110600662011866
Energy: 1.3095530438205234
Energy: 1.2781565132530397
Energy: 1.3095530438205234
Energy: 1.5153235360949948
Energy: 1.2571976920998524
Energy: 1.51532353609421
Energy: 1.2571976921006367
Energy: 1.5153235360949948
Energy: 1.2571976920998524
Energy: 1.2571900536011107
Energy: 1.2153111216167993
Energy: 1.257190053599542
Energy: 1.215311121618368
Energy: 1.2571900536011107
Energy: 1.215311121618368
Energy: 1.2911438687052692
Energy: 1.1172263823957809
Energy: 1.291143868712329
Energy: 1.1172263823957809
Energy: 1.291143868708407
Energy: 1.1172263823957809
Energy: 1.2526934415294062
Energy: 1.2461363911415217
Energy: 1.2526934415301905
Energy: 1.2461363911391687
Energy: 1.2526934415301905
Energy: 1.246136391139953
Energy: 1.2483753318480957
Energy: 1.170328793507838
Energy: 1.2483753318496644
Energy: 1.17032879351176
Energy: 1.24837533184888
Energy: 1.1703287935109756
Energy: 1.2980970435800787
Energy: 1.1161304363517397
Energy: 1.2980970435808632
Energy: 1.1161304363509552
Energy: 1.2980970435808632
Energy: 1.1161304363517397
Energy: 1.1125990382415183
Energy: 1.1710973309925232
Energy: 1.1126055557074437
Energy: 1.1710973309925232
Energy: 1.1125990382399498
Energy: 1.1710973309925232
Energy: 1.2141699053502195
Energy: 1.2613366200199192
Energy: 1.2141699053525727
Energy: 1.2613366200175662
Energy: 1.2141699053517885
Energy: 1.2613366200199192
Energy: 1.2540062879528586
Energy: 1.263428157389951
Energy: 1.2540062879528586
Energy: 1.2634281573789696
Energy: 1.2540062879559606
Energy: 1.26342815737191
Energy: 1.2647190232361034
Energy: 1.1166508632852004
Energy: 1.2647190232337862
Energy: 1.1166508632844159
Energy: 1.2647190232345702
Energy: 1.1166508632844159
Energy: 1.3010056538947257
Energy: 1.1272350248371192
Energy: 1.1992372302854175
Energy: 1.1272350248379035
Energy: 1.3010056538962944
Energy: 1.1272350248379035
Energy: 1.2969226344706548
Energy: 1.1200599225357837
Energy: 1.1987091995472212
Energy: 1.120059922534215
Energy: 1.2969226344698703
Energy: 1.1200599225334307
Energy: 1.2976236712064324
Energy: 1.2285978660673034
Energy: 1.297623671205648
Energy: 1.2285978660665189
Energy: 1.2976236712025104
Energy: 1.2285978660665189
Energy: 1.110339539731618
Energy: 1.1675038642672433
Energy: 1.110463837777203
Energy: 1.1675038642695963
Energy: 1.1103395397324025
Energy: 1.1675038642688123
Energy: 1.2112283845809904
Energy: 1.052805275888059
Energy: 1.2112283845794218
Energy: 1.0528052758872748
Energy: 1.2112283845809904
Energy: 1.052805275888059
Energy: 1.1106268099356098
Energy: 1.16730167082832
Energy: 1.110626809934825
Energy: 1.167301670832242
Energy: 1.110626809937963
Energy: 1.167301670832242
Energy: 1.2141595076447618
Energy: 1.2285366518680068
Energy: 1.2141595076463305
Energy: 1.2285366518711442
Energy: 1.2141595076439773
Energy: 1.2285366518711442
Energy: 1.19883088183514
Energy: 1.1242385190847286
Energy: 1.1988308818359246
Energy: 1.1242385190839441
Energy: 1.1988308818343556
Energy: 1.1242385190847286
Energy: 1.3383586824498017
Energy: 1.215508951396962
Energy: 1.338358682446664
Energy: 1.215508951394609
Energy: 1.3383586824458797
Energy: 1.2155089513953932
Energy: 1.2045931627235258
Energy: 1.1165367181447678
Energy: 1.2060403144046914
Energy: 1.1165367181471209
Energy: 1.204661612053473
Energy: 1.1165367181471209
Energy: 1.260118648601954
Energy: 1.266098331888392
Energy: 1.2598754894249813
Energy: 1.2660983317009933
Energy: 1.2601186486043072
Energy: 1.2660983313748277

minimum gb energy = 1.0528052758872748 eV
minimum distance =  2.17365036946691 Angstroms
sigma value = 17


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

Energy: 1.1721695613669088
Energy: 1.0440901096028792
Energy: 1.1721695613680179
Energy: 1.04409010960177
Energy: 1.1721695613680179
Energy: 1.04409010960177
Energy: 1.0030838708474334
Energy: 0.9915508482726739
Energy: 1.0030838708474334
Energy: 0.9915508482715646
Energy: 1.0030838708474334
Energy: 0.9915508482715646
Energy: 1.1706279157205506
Energy: 1.1740933733189127
Energy: 1.1706279157194412
Energy: 1.1740933733178032
Energy: 1.1706279157194412
Energy: 1.1740933733189127
Energy: 0.942164278207958
Energy: 1.1800341899679985
Energy: 0.942164278207958
Energy: 1.1800341899679985
Energy: 0.942164278207958
Energy: 1.1800341899691078
Energy: 1.1645373690734753
Energy: 1.1058177219351053
Energy: 1.1645373690745844
Energy: 1.1058177219351053
Energy: 1.1645373690745844
Energy: 1.1058177219351053
Energy: 1.0699624928288662
Energy: 1.139055156127232
Energy: 1.069962492827757
Energy: 1.139055156127232
Energy: 1.0699624928288662
Energy: 1.139055156127232
Energy: 1.0896781699904825
Energy: 1.002859603296192
Energy: 1.0896781699893732
Energy: 1.002859603296192
Energy: 1.0896781699904825
Energy: 1.0028596032973016
Energy: 0.9420946991018924
Energy: 1.1736514974249448
Energy: 0.9420946991018924
Energy: 1.1736485915085975
Energy: 0.9420946991018924
Energy: 1.1736452673375446
Energy: 1.1471734327053087
Energy: 0.9914679926193861
Energy: 1.1471734327053087
Energy: 0.9914679926193861
Energy: 1.1471734327064176
Energy: 0.9914679926182769
Energy: 1.0687704397699564
Energy: 1.0055385941031936
Energy: 1.0687704397666284
Energy: 1.0055385941031936
Energy: 1.0687704397677378
Energy: 1.0055385941031936
Energy: 1.051337484537873
Energy: 1.0521903428030557
Energy: 1.051337484537873
Energy: 1.0521903428030557
Energy: 1.051337484537873
Energy: 1.0521903428030557
Energy: 1.1356652632249982
Energy: 1.1133241984747109
Energy: 1.1356652631329767
Energy: 1.1133241984758202
Energy: 1.1356652629012336
Energy: 1.1133241984747109
Energy: 0.9423660838068745
Energy: 1.1374150847659992
Energy: 0.9423660838068745
Energy: 1.1374150847659992
Energy: 0.9423660838057651
Energy: 1.1374150847659992
Energy: 1.0677231148161297
Energy: 1.1519767187805043
Energy: 1.0677231148161297
Energy: 1.1519767187805043
Energy: 1.0677231148161297
Energy: 1.151976718779395
Energy: 1.067831355908912
Energy: 1.1151537434139662
Energy: 1.067831355908912
Energy: 1.1151537434139662
Energy: 1.067831355908912
Energy: 1.115153743412857
Energy: 1.0677815457006132
Energy: 1.4076075546177211
Energy: 1.0677815457006132
Energy: 1.4076075546155027
Energy: 1.0677815457006132
Energy: 1.4076075546166118
Energy: 1.0661535892478962
Energy: 1.149929385884348
Energy: 1.0661535892467868
Energy: 1.149929385884348
Energy: 1.0661535892467868
Energy: 1.149929385884348

minimum gb energy = 0.9420946991018924 eV
minimum distance =  2.3019349070354 Angstroms
sigma value = 17


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

Energy: 1.0626654896456806
Energy: 0.9504636418379914
Energy: 1.0626654896456806
Energy: 0.950463641837563
Energy: 1.062665489646109
Energy: 0.950463641837563
Energy: 0.9828621950578936
Energy: 1.0298089104456867
Energy: 0.9828621950561802
Energy: 1.029808910446115
Energy: 0.9828621950583221
Energy: 1.0298089104478285
Energy: 1.0195625298793312
Energy: 1.025439157906721
Energy: 1.0195625298793312
Energy: 1.0254391579071493
Energy: 1.0195625298793312
Energy: 1.025439157906721
Energy: 0.9881162634059589
Energy: 1.0607422016163999
Energy: 0.9881162634068157
Energy: 1.0731624348764306
Energy: 0.9881162634063874
Energy: 1.0607422016116879
Energy: 0.9588213602601643
Energy: 0.912022823808957
Energy: 0.9588213602584507
Energy: 0.912022823808957
Energy: 0.9588213602593073
Energy: 0.912022823808957
Energy: 1.021209054919951
Energy: 1.0006896749105405
Energy: 1.0212090549212363
Energy: 1.0006896749024015
Energy: 1.0212090549208077
Energy: 1.0006896749024015
Energy: 0.9612331345698639
Energy: 0.9601474084879911
Energy: 0.9612331345690072
Energy: 0.9601474084875626
Energy: 0.9612331345702922
Energy: 0.9601474084879911
Energy: 1.0678756625171189
Energy: 1.070020327717755
Energy: 1.0678756625166907
Energy: 1.0700203277181832
Energy: 1.0678756625162622
Energy: 1.0700203277198965
Energy: 1.0010314019257276
Energy: 1.0131322853211877
Energy: 1.001031401926156
Energy: 1.013132285322901
Energy: 1.0010314019252993
Energy: 1.0131322853241862
Energy: 0.9627492175739931
Energy: 0.8691991198621557
Energy: 0.9627492175739931
Energy: 0.8691991198625841
Energy: 0.9627492175748499
Energy: 0.8691991198625841
Energy: 0.8838092842361795
Energy: 0.9289368628323899
Energy: 0.8838092842361795
Energy: 0.929313923278955
Energy: 0.8838092842344659
Energy: 0.9297792906045688
Energy: 1.0790558125772733
Energy: 0.9331555979445619
Energy: 1.0790558125781302
Energy: 0.9331555979441337
Energy: 1.0790558125772733
Energy: 0.9331555979445619
Energy: 0.9650706825962098
Energy: 0.9377024776116339
Energy: 0.965070682595353
Energy: 0.9377024776112057
Energy: 0.9650706825970666
Energy: 0.9377024776116339
Energy: 0.9783754578737367
Energy: 0.9527699164962347
Energy: 0.9783754578767351
Energy: 0.9527699164962347
Energy: 0.9783754578763069
Energy: 0.9527699164962347
Energy: 1.0437250632152737
Energy: 1.0366687660613563
Energy: 1.0437250632139885
Energy: 1.0366687660617846
Energy: 1.0437250632182724
Energy: 1.0366687660617846
Energy: 0.884252190098
Energy: 0.9967461016825853
Energy: 0.8842521900971431
Energy: 0.9967461016830137
Energy: 0.8842521900975716
Energy: 0.9967461016825853
Energy: 0.9769380323501846
Energy: 1.0145649214627386
Energy: 0.9769380323501846
Energy: 1.0145649214623103
Energy: 0.9769380323501846
Energy: 1.0145649214623103
Energy: 1.0254033479775997
Energy: 1.0122375176799052
Energy: 1.0254033479797415
Energy: 1.0122375176799052
Energy: 1.0254033479780278
Energy: 1.012237517679477
Energy: 0.9748236142908693
Energy: 0.9951338930752526
Energy: 0.9748236142908693
Energy: 0.9951338930765377
Energy: 0.9748236142912977
Energy: 0.9951338930727213
Energy: 0.9755025319977438
Energy: 0.9086396157495198
Energy: 0.9755025319981724
Energy: 0.8723977808752106
Energy: 0.9755025319973156
Energy: 0.8723977808747821
Energy: 0.9747966921012846
Energy: 0.9952610345146101
Energy: 0.9747966921012846
Energy: 0.9952610345158952
Energy: 0.974796692101713
Energy: 0.9952610345167521
Energy: 1.0253389786809044
Energy: 1.0122492641629768
Energy: 1.0253389786791907
Energy: 1.0122492641621197
Energy: 1.0253389786804759
Energy: 1.0122492641621197
Energy: 0.9768083122301131
Energy: 1.0142241041470184
Energy: 0.9768083122301131
Energy: 1.0142241041474467
Energy: 0.9768083122309698
Energy: 1.0142241041474467
Energy: 0.88403439293594
Energy: 1.0801242436513978
Energy: 0.8840343929376535
Energy: 1.0801242436513978
Energy: 0.8840343929376535
Energy: 1.0801242436518264
Energy: 1.0437378281201508
Energy: 1.036747204684757
Energy: 1.0437378281235776
Energy: 1.036747204684757
Energy: 1.043737828119333
Energy: 1.036747204684757
Energy: 0.9785216358279788
Energy: 0.9525349258591197
Energy: 0.9785216358275504
Energy: 0.9525349258591197
Energy: 0.9785216358262653
Energy: 0.9525349258591197
Energy: 0.9651378645165507
Energy: 0.9377320967398783
Energy: 0.9651378645169789
Energy: 0.9377320967394499
Energy: 0.9651378645169789
Energy: 0.9377320967398783
Energy: 1.079068365337607
Energy: 0.9332830255491379
Energy: 1.079068365337607
Energy: 0.9332830255495664
Energy: 1.0790683653363218
Energy: 0.9332830255495664
Energy: 0.8836268008317583
Energy: 0.9279556012917165
Energy: 0.8836268008304732
Energy: 0.9285942436015969
Energy: 0.8836268008321867
Energy: 0.929355036407969
Energy: 0.9630075941779814
Energy: 0.8705980780845761
Energy: 0.9630075941792665
Energy: 0.8705980780850044
Energy: 0.9630075941779814
Energy: 0.8705980780845761
Energy: 1.0010719528095917
Energy: 1.0130096401257627
Energy: 1.00107195281002
Energy: 1.0130096401253341
Energy: 1.0010719528117336
Energy: 1.013009640126191
Energy: 1.0677747124392245
Energy: 1.069927669631169
Energy: 1.0677747124392245
Energy: 1.0699276696320261
Energy: 1.0677747124375112
Energy: 1.0699276696320261
Energy: 0.9635935964647688
Energy: 0.9595760963585829
Energy: 0.9635935964639122
Energy: 0.9595760963590112
Energy: 0.9635935964664823
Energy: 0.9595760963615814
Energy: 1.0209902080218345
Energy: 0.9277558683220628
Energy: 1.0209902080218345
Energy: 0.9277558683220628
Energy: 1.0209902080209778
Energy: 0.9277558683220628
Energy: 0.9587533840191339
Energy: 0.911889403168406
Energy: 0.9587533840247027
Energy: 0.9118894031662641
Energy: 0.9587533840212757
Energy: 0.9118894031688343
Energy: 0.988401505372048
Energy: 1.0293783711356153
Energy: 0.988401505372048
Energy: 1.0293783711356153
Energy: 0.9884015053724764
Energy: 1.0293783711360436
Energy: 1.0200445787874086
Energy: 1.0251962840916156
Energy: 1.020044578787837
Energy: 1.025196284091187
Energy: 1.0200445787839816
Energy: 1.0251962840916156
Energy: 0.9829508965543133
Energy: 0.926639072856404
Energy: 0.9829508965573119
Energy: 0.926639072856404
Energy: 0.9829508965530281
Energy: 0.926639072856404
Energy: 1.0626654896469658
Energy: 0.9504636418401332
Energy: 1.0626654896469658
Energy: 0.9504636418397048
Energy: 1.062665489646109
Energy: 0.9504636418397048
Energy: 0.9828621950583221
Energy: 0.9191320481175546
Energy: 0.9828621950566084
Energy: 0.9191320481175546
Energy: 0.9828621950587505
Energy: 0.9191320481171263
Energy: 1.0195625298801878
Energy: 1.0254391579084345
Energy: 1.0195625298793312
Energy: 1.0254391579084345
Energy: 1.019562529876761
Energy: 1.0254391579084345
Energy: 0.9881162634063874
Energy: 1.0140039058914856
Energy: 0.9881162634063874
Energy: 1.0140039058914856
Energy: 0.9881162634068157
Energy: 1.014003905890629
Energy: 0.9588213602593073
Energy: 0.9120228238106706
Energy: 0.958821360257594
Energy: 0.9120228238102421
Energy: 0.9588213602597359
Energy: 0.912022823811099

minimum gb energy = 0.8691991198621557 eV
minimum distance =  2.3002005095459 Angstroms
sigma value = 57


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

Energy: 0.9806728526861452
Energy: 0.8820539624679298
Energy: 0.9806728526854478
Energy: 0.8820539624679298
Energy: 0.9806728526868428
Energy: 0.8820539624686272
Energy: 0.8929318585911421
Energy: 0.8671504500608588
Energy: 0.8929318585925371
Energy: 0.8671504500601612
Energy: 0.8929318585925371
Energy: 0.8671504500601612
Energy: 1.0292823396675035
Energy: 0.9511876710011721
Energy: 1.0292823396675035
Energy: 0.9511876710011721
Energy: 1.0292823396675035
Energy: 0.9511876710011721
Energy: 0.9247269192273875
Energy: 0.9802283767881197
Energy: 0.9247269192259926
Energy: 0.9802283767888171
Energy: 0.9247269192273875
Energy: 0.9802283767874221
Energy: 0.8826421014782819
Energy: 0.859038606749431
Energy: 0.8826421014768869
Energy: 0.8590386067487334
Energy: 0.8826421014775844
Energy: 0.8590386067487334
Energy: 0.9754334976031728
Energy: 0.8658713473673347
Energy: 0.9754334976024752
Energy: 0.8658713473666373
Energy: 0.9754334976031728
Energy: 0.8658713473666373
Energy: 0.8292406665417245
Energy: 0.9363458874826971
Energy: 0.8292406665410269
Energy: 0.9363458874826971
Energy: 0.8292406665403295
Energy: 0.9363458874826971
Energy: 1.0018248769996865
Energy: 0.9019967220941636
Energy: 1.001824877000384
Energy: 0.9019967220948611
Energy: 1.001824876997594
Energy: 0.9019967220934662
Energy: 0.8796139815065391
Energy: 0.8682598558443575
Energy: 0.8796139815065391
Energy: 0.8682598558429625
Energy: 0.8796139815065391
Energy: 0.8682598558443575
Energy: 0.8876512016474081
Energy: 0.892135042895867
Energy: 0.8876512016460131
Energy: 0.8921350428951694
Energy: 0.8876512016488028
Energy: 0.8921350428951694
Energy: 0.8255910538770442
Energy: 1.0021893391672525
Energy: 0.8255910538770442
Energy: 1.0021893391574874
Energy: 0.8255910538770442
Energy: 1.00218933916237
Energy: 0.925286610867178
Energy: 0.9172643852198351
Energy: 0.9252866108650857
Energy: 0.9172643852198351
Energy: 0.925286610867178
Energy: 0.9172643852198351
Energy: 0.8857096273467453
Energy: 0.9802261900825275
Energy: 0.8857096273460477
Energy: 0.9802261900818301
Energy: 0.8857096273453503
Energy: 0.9802261900804351
Energy: 0.8855368389664785
Energy: 0.9094297791829216
Energy: 0.8855368389678735
Energy: 0.9094297791843166
Energy: 0.885536838967176
Energy: 0.9094297791815265
Energy: 0.9979424157432772
Energy: 0.9296531143490525
Energy: 0.9979424157432772
Energy: 0.9296531143497501
Energy: 0.9979424157446722
Energy: 0.9296531143483551
Energy: 0.979311366318476
Energy: 1.0050463142317763
Energy: 0.979311366318476
Energy: 1.0050463142310788
Energy: 0.979311366317081
Energy: 1.0050463142310788
Energy: 0.9097702986316366
Energy: 1.0082439265796703
Energy: 0.909770298632334
Energy: 1.0082439265796703
Energy: 0.9097702986316366
Energy: 1.0082439265789729
Energy: 0.9550931591455557
Energy: 0.966315176451568
Energy: 0.955093159156018
Energy: 0.9663151764508705
Energy: 0.955093159156018
Energy: 0.966315176450173
Energy: 0.840464865936562
Energy: 0.944297192972283
Energy: 0.8404648659386545
Energy: 0.944297192972283
Energy: 0.840464865935167
Energy: 0.944297192972283
Energy: 0.843322511450829
Energy: 0.9826318991802864
Energy: 0.8433225114515265
Energy: 0.9826318991802864
Energy: 0.843322511450829
Energy: 0.9826318991802864
Energy: 0.9734091193751179
Energy: 0.9384486556995956
Energy: 0.9734091193765129
Energy: 0.9384486556995956
Energy: 0.9734091193737229
Energy: 0.9384486556988981
Energy: 0.8280542937433941
Energy: 0.9452103743444635
Energy: 0.8280542937419991
Energy: 0.9452103743458583
Energy: 0.8280542937440916
Energy: 0.945210374343766
Energy: 0.9075279369312156
Energy: 0.9196462817122484
Energy: 0.9075279369312156
Energy: 0.9196462817122484
Energy: 0.9075279369312156
Energy: 0.9196462817122484
Energy: 0.906931125914406
Energy: 1.1710913278249946
Energy: 0.9069311259137084
Energy: 1.1710913278242971
Energy: 0.9069311259171958
Energy: 1.171091327822902
Energy: 0.9080778357386284
Energy: 0.9605670606071814
Energy: 0.9080778357393259
Energy: 0.9605670606071814
Energy: 0.9080778357407209
Energy: 0.9605670606057866
Energy: 0.882916111289821
Energy: 0.9203137533460107
Energy: 0.8829161112891235
Energy: 0.9203137533460107
Energy: 0.882916111288426
Energy: 0.9203137533460107
Energy: 0.8276013882104908
Energy: 0.9439795308088589
Energy: 0.8276013882111882
Energy: 0.9439795308081614
Energy: 0.8276013882118858
Energy: 0.9439795308081614

minimum gb energy = 0.8255910538770442 eV
minimum distance =  2.27306899783334 Angstroms
sigma value = 43


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

Energy: 0.9738551940416551
Energy: 0.8050064184721104
Energy: 0.9738551940416551
Energy: 0.8050064184716023
Energy: 0.973855194041147
Energy: 0.8050064184721104
Energy: 0.8864213664661845
Energy: 0.8127399767337918
Energy: 0.8864213664656765
Energy: 0.8127399767343001
Energy: 0.8864213664656765
Energy: 0.8127399767337918
Energy: 0.9538182212787628
Energy: 0.8795680538507912
Energy: 0.9538182212782547
Energy: 0.8795680538502829
Energy: 0.9538182212792711
Energy: 0.8795680538502829
Energy: 0.9131709446401098
Energy: 0.8512726743122783
Energy: 0.9131709446401098
Energy: 0.8512726743117702
Energy: 0.9131709446406181
Energy: 0.851272674311262
Energy: 0.7863123698390264
Energy: 0.7751177217210402
Energy: 0.7863123698425838
Energy: 0.7751177217210402
Energy: 0.7863123698451248
Energy: 0.7751177217210402
Energy: 0.8619276167421974
Energy: 0.7871785968314262
Energy: 0.8619276167416892
Energy: 0.7871785968319345
Energy: 0.8619276167421974
Energy: 0.7871785968314262
Energy: 0.7956738132849395
Energy: 0.8306401050829332
Energy: 0.7956738132844312
Energy: 0.8306401050829332
Energy: 0.7956738132844312
Energy: 0.8306401050809004
Energy: 1.0660635238374712
Energy: 0.7647638438763845
Energy: 1.0660635238359464
Energy: 0.7647638438779092
Energy: 1.0660635238354381
Energy: 0.7647638438774009
Energy: 0.8051146981495737
Energy: 0.7776971678000084
Energy: 0.8051146981490653
Energy: 0.7776971677995002
Energy: 0.8051146981495737
Energy: 0.7776971677995002
Energy: 0.7949485149937086
Energy: 0.7809907486497464
Energy: 0.794948514994725
Energy: 0.7809907486502545
Energy: 0.7949485149957414
Energy: 0.7809907486502545
Energy: 0.8859251594446182
Energy: 0.8574760334883343
Energy: 0.8859251594441101
Energy: 0.8574760334883343
Energy: 0.8859251594446182
Energy: 0.8574760334883343
Energy: 0.750850402848349
Energy: 0.7764903224315878
Energy: 0.750850402848349
Energy: 0.7764903224315878
Energy: 0.750850402848349
Energy: 0.7764903224310794
Energy: 0.7947012937211045
Energy: 0.7417532239833156
Energy: 0.7947012937211045
Energy: 0.7417532239833156
Energy: 0.7947012937205962
Energy: 0.7417532239833156
Energy: 0.8848578082292167
Energy: 0.8585477129261663
Energy: 0.8848578082287086
Energy: 0.8585477129266745
Energy: 0.8848578082282004
Energy: 0.8585477129261663
Energy: 0.7807636130292795
Energy: 0.7761915439708263
Energy: 0.7807636130292795
Energy: 0.7761915439733674
Energy: 0.7807636130292795
Energy: 0.7761915439713347
Energy: 0.819318963208073
Energy: 0.8316492339308379
Energy: 0.8193189632070565
Energy: 0.8316492339308379
Energy: 0.8193189632075648
Energy: 0.8316492339298214
Energy: 0.7968537398801655
Energy: 0.8541362719844986
Energy: 0.7968537398791491
Energy: 0.8541362719850067
Energy: 0.7968537398786408
Energy: 0.854136271985515
Energy: 0.8121673863660815
Energy: 0.776261009857721
Energy: 0.8121673863670981
Energy: 0.776261009857721
Energy: 0.8121673863665899
Energy: 0.7762610098582291
Energy: 0.78990669768459
Energy: 0.8800955688690703
Energy: 0.7899066976840817
Energy: 0.8800955688695786
Energy: 0.7899066976840817
Energy: 0.8800955688695786
Energy: 0.8197788449869038
Energy: 0.8590155916311145
Energy: 0.8197788449879203
Energy: 0.8590155916316229
Energy: 0.8197788449863955
Energy: 0.8590155916306065
Energy: 0.8729497098770048
Energy: 0.8123248595030221
Energy: 0.8729497098770048
Energy: 0.8123248595035302
Energy: 0.8729497098770048
Energy: 0.8123248595045466
Energy: 0.8079094943797257
Energy: 0.8039835750878924
Energy: 0.8079094943797257
Energy: 0.8039835750894171
Energy: 0.8079094943797257
Energy: 0.8039835750889087
Energy: 0.9288590894215223
Energy: 0.8787223866565206
Energy: 0.9288590894220307
Energy: 0.8787223866565206
Energy: 0.9288590894215223
Energy: 0.8787223866565206
Energy: 0.8320151830603768
Energy: 0.9201393950793553
Energy: 0.8320151830542784
Energy: 0.9201393950793553
Energy: 0.8320151830542784
Energy: 0.9201393950793553
Energy: 0.8311612708611514
Energy: 0.7624433853486173
Energy: 0.8311612708621678
Energy: 0.7624433853506501
Energy: 0.8311612708621678
Energy: 0.762443385350142
Energy: 0.769743793074665
Energy: 0.8510438885305166
Energy: 0.769743793074665
Energy: 0.8510438885305166
Energy: 0.7697437930751733
Energy: 0.8510438885305166
Energy: 0.8602244661382781
Energy: 0.8707924214411592
Energy: 0.8602244661362454
Energy: 0.8707924214411592
Energy: 0.8528346973499942
Energy: 0.8707924214406509
Energy: 0.7893605681706453
Energy: 0.7597971653024438
Energy: 0.7893605681706453
Energy: 0.7597971653019355
Energy: 0.7893605681701371
Energy: 0.75979716529787
Energy: 0.7688545181004485
Energy: 0.8054273124683496
Energy: 0.7688545181009567
Energy: 0.8054273124683496
Energy: 0.7688545181004485
Energy: 0.8054273124683496
Energy: 0.7770217560654545
Energy: 0.8451463907363302
Energy: 0.7770217560659627
Energy: 0.8451463907363302
Energy: 0.7770217560659627
Energy: 0.8451463907368384
Energy: 0.7626868066058525
Energy: 1.067867093694994
Energy: 0.7626868066012787
Energy: 1.0678670936955021
Energy: 0.762686806601787
Energy: 1.067867093697027
Energy: 0.7694368818186481
Energy: 0.7696391068510913
Energy: 0.7694368818186481
Energy: 0.7696391068515994
Energy: 0.7694368818186481
Energy: 0.7696391068515994
Energy: 0.7490334117257044
Energy: 0.7629301715540359
Energy: 0.7490334117251963
Energy: 0.762930171554544
Energy: 0.7490334117246882
Energy: 0.7629301715535277
Energy: 0.8884739287086484
Energy: 0.9647008802196986
Energy: 0.888473928707632
Energy: 0.9647008802186822
Energy: 0.888473928707632
Energy: 0.9647008802191905
Energy: 0.7706701633461537
Energy: 0.7448009740612568
Energy: 0.7706701633466618
Energy: 0.744800974061765
Energy: 0.7706701633461537
Energy: 0.7448009740612568
Energy: 0.6942769154165882
Energy: 0.7629434611730825
Energy: 0.6942769154155718
Energy: 0.7629434611720662
Energy: 0.6942769154170964
Energy: 0.7629434611730825

minimum gb energy = 0.6942769154155718 eV
minimum distance =  2.26870212140991 Angstroms
sigma value = 81


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

Energy: 0.08680044190492754
Energy: 0.13715262765435457
Energy: 0.08680044190492754
Energy: 0.13715262765435457
Energy: 0.08680044190492754
Energy: 0.13715262765435457
Energy: 0.8855321110107035
Energy: 0.08798405246398176
Energy: 0.8855321110107035
Energy: 0.08798405246398176
Energy: 0.8855321110107035
Energy: 0.08798405246211453
Energy: 0.8855334414758874
Energy: 0.08759865702740306
Energy: 0.8855334414777547
Energy: 0.08759865701993412
Energy: 0.8855334414777547
Energy: 0.08759865702553583
Energy: 0.08680044190492754
Energy: 0.13715262765435457
Energy: 0.08680044190492754
Energy: 0.13715262765435457
Energy: 0.08680044190492754
Energy: 0.13715262765435457
Energy: 0.8855321110107035
Energy: 0.08798405245838006
Energy: 0.8855321110107035
Energy: 0.08798405245838006
Energy: 0.8855321110088363
Energy: 0.08798405246211453
Energy: 0.8855334414758874
Energy: 0.08759865702553583
Energy: 0.8855334414758874
Energy: 0.08759865702553583
Energy: 0.8855334414777547
Energy: 0.08759865702927029
Energy: 0.08680044190679478
Energy: 0.13715262765435457
Energy: 0.08680044190492754
Energy: 0.13715262765435457
Energy: 0.08680044190492754
Energy: 0.13715262765435457
Energy: 0.8855321110107035
Energy: 0.08798405246024729
Energy: 0.8855321110088363
Energy: 0.08798405246398176
Energy: 0.8855321110088363
Energy: 0.08798405246024729
Energy: 0.8855334414758874
Energy: 0.08759865702740306
Energy: 0.8855334414777547
Energy: 0.08759865702740306
Energy: 0.8855334414758874
Energy: 0.08759865702927029
Energy: 0.08680044190492754
Energy: 0.13715262765435457
Energy: 0.08680044190492754
Energy: 0.13715262765435457
Energy: 0.08680044190492754
Energy: 0.13715262765435457

minimum gb energy = 0.08680044190492754 eV
minimum distance =  2.46549078564645 Angstroms
sigma value = 3


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

Energy: 0.9377193313075459
Energy: 0.7751738350129146
Energy: 0.9377193313053108
Energy: 0.7751738350134734
Energy: 0.9377193313064283
Energy: 0.7751738350129146
Energy: 0.7828886727251536
Energy: 0.8056798552891149
Energy: 0.7828886727245948
Energy: 0.805679855288556
Energy: 0.7828886727245948
Energy: 0.8056798552913499
Energy: 0.8144081689518102
Energy: 0.805900170572804
Energy: 0.8144081689512513
Energy: 0.8059001705683339
Energy: 0.8144081689523689
Energy: 0.8059001705750392
Energy: 0.8816110494470769
Energy: 0.7953877811446143
Energy: 0.8816110494476357
Energy: 0.7953877811446143
Energy: 0.8816110494476357
Energy: 0.7953877811446143
Energy: 0.66743589588039
Energy: 0.7865487287435612
Energy: 0.66743589588039
Energy: 0.7865487287413261
Energy: 0.66743589588039
Energy: 0.7865487287368559
Energy: 0.8214936181737778
Energy: 0.8633101479176875
Energy: 0.8214936181737778
Energy: 0.8633101479160111
Energy: 0.821493618173219
Energy: 0.8633101479160111
Energy: 0.834943700814139
Energy: 0.8788202205896302
Energy: 0.8349437008146978
Energy: 0.8788202205901887
Energy: 0.8349437008152566
Energy: 0.8788202205901887
Energy: 0.6631142499245095
Energy: 0.7859938740248573
Energy: 0.6631142499245095
Energy: 0.7859938740254162
Energy: 0.6631142499250683
Energy: 0.7859938740287689
Energy: 0.8351089562676258
Energy: 0.8413978795733614
Energy: 0.8351089562693023
Energy: 0.8413978795750378
Energy: 0.8351089562693023
Energy: 0.8413978795733614
Energy: 0.7608329285687359
Energy: 0.8188158665709752
Energy: 0.7608329285704122
Energy: 0.8188158665692987
Energy: 0.7608329285687359
Energy: 0.8188158665676226
Energy: 0.7189764788393681
Energy: 0.7881902030889094
Energy: 0.7189764788410443
Energy: 0.7881902030894681
Energy: 0.7189764788399269
Energy: 0.7881902030889094
Energy: 0.864380786053087
Energy: 0.871572486915392
Energy: 0.8643807860536457
Energy: 0.8715724869159507
Energy: 0.8643807860547632
Energy: 0.8715724869165096
Energy: 0.7950846115534564
Energy: 0.8004943351704953
Energy: 0.7950846115506627
Energy: 0.8004943351704953
Energy: 0.7950846117120975
Energy: 0.8004943351704953
Energy: 0.7367413169778804
Energy: 0.8476560467835021
Energy: 0.7367413169789979
Energy: 0.8476560467835021
Energy: 0.7367413169750865
Energy: 0.8476560467823846
Energy: 0.8808530662737996
Energy: 0.8385872971755134
Energy: 0.8808530662737996
Energy: 0.8385872971777486
Energy: 0.8808530662732409
Energy: 0.8385872971727195
Energy: 0.7663380108466128
Energy: 0.6626800270082485
Energy: 0.7663380108466128
Energy: 0.6626800270076897
Energy: 0.7663380108466128
Energy: 0.6626800270076897
Energy: 0.7886744164833892
Energy: 0.8716979279278122
Energy: 0.7886744164828304
Energy: 0.8716979279272535
Energy: 0.7886744164833892
Energy: 0.8716979279278122
Energy: 0.8246230842994651
Energy: 0.8104245836025723
Energy: 0.8246230842983476
Energy: 0.8104245836020136
Energy: 0.8246230842950457
Energy: 0.8104245836020136
Energy: 0.8249870502237419
Energy: 0.9005977571291991
Energy: 0.824987050223183
Energy: 0.9005977571291991
Energy: 0.824987050225418
Energy: 0.9005977571291991
Energy: 0.772782228371385
Energy: 0.9209090760648081
Energy: 0.7727822283719438
Energy: 0.9209090760659255
Energy: 0.7727822283730614
Energy: 0.9209090760648081
Energy: 0.862145144569712
Energy: 0.7878689791156815
Energy: 0.8621451445708295
Energy: 0.7878689791145641
Energy: 0.8621451445691531
Energy: 0.7878689791151228
Energy: 0.8478110182854798
Energy: 0.7857084069785933
Energy: 0.847811017658281
Energy: 0.7857084069797108
Energy: 0.8478110164870392
Energy: 0.7857084069797108
Energy: 0.7980525459748183
Energy: 0.897491633790559
Energy: 0.7980525459725833
Energy: 0.897491633790559
Energy: 0.798052545975936
Energy: 0.8974916337900003
Energy: 0.8158562301991656
Energy: 0.785175041510996
Energy: 0.8158562302002832
Energy: 0.7851750415121136
Energy: 0.8158562302014006
Energy: 0.785175041510996
Energy: 0.8775732307016588
Energy: 0.8188448773266591
Energy: 0.8775732307033351
Energy: 0.8188448773249828
Energy: 0.8775732307033351
Energy: 0.8188448773238652
Energy: 0.7604549586821922
Energy: 0.8574045806276657
Energy: 0.7604549586760455
Energy: 0.8574045806265482
Energy: 0.7604549586782806
Energy: 0.8574045806237542
Energy: 0.9180611716713988
Energy: 0.6729786925221567
Energy: 0.9180611716725162
Energy: 0.6729786925221567
Energy: 0.9180611716730751
Energy: 0.6729786925227155
Energy: 0.835154426105161
Energy: 0.8348750257779283
Energy: 0.8351544261085136
Energy: 0.8348750257784872
Energy: 0.8351544261079549
Energy: 0.8348750257790459
Energy: 0.7353078415856348
Energy: 0.7855380645318049
Energy: 0.7353078415861936
Energy: 0.7855380645339892
Energy: 0.7353078415867524
Energy: 0.7855380645334304
Energy: 0.9120298913880976
Energy: 0.734773873206137
Energy: 0.9120298913880976
Energy: 0.7347738732055782
Energy: 0.9120298913880976
Energy: 0.7347738732055782
Energy: 0.8622522700451002
Energy: 0.8276047145314528
Energy: 0.8622522700456591
Energy: 0.8276047145342467
Energy: 0.8622522700451002
Energy: 0.8276047145331291
Energy: 0.816486183790705
Energy: 0.7744555116406734
Energy: 0.816486183790705
Energy: 0.7744555116423497
Energy: 0.816486183790705
Energy: 0.7744555116451435
Energy: 0.8383367763657585
Energy: 0.885434370827477
Energy: 0.8383367763663172
Energy: 0.885434370827477
Energy: 0.8383367763657585
Energy: 0.885434370827477

minimum gb energy = 0.6626800270076897 eV
minimum distance =  2.33257704636799 Angstroms
sigma value = 67


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

Energy: 1.0871497368787435
Energy: 0.9503309750475142
Energy: 1.0871497368795395
Energy: 0.9503309750475142
Energy: 1.0871497368787435
Energy: 0.9503309750475142
Energy: 0.9480792270087298
Energy: 0.9738057493647997
Energy: 0.9480792270079336
Energy: 0.9738057493663922
Energy: 0.9480792270095258
Energy: 0.9738057493663922
Energy: 1.0161387437874037
Energy: 0.9847748239266713
Energy: 1.0161387437882001
Energy: 0.9847748239226903
Energy: 1.0161387437874037
Energy: 0.9847748239234865
Energy: 1.0398130490970248
Energy: 0.9346815611434978
Energy: 1.039813049098617
Energy: 0.93468156114509
Energy: 1.0398130490978208
Energy: 0.9346815611458863
Energy: 0.8279109201028328
Energy: 0.9279973167598511
Energy: 0.8279109201028328
Energy: 0.9279973167598511
Energy: 0.8279109201020365
Energy: 0.9279973167598511
Energy: 1.0169423599801806
Energy: 1.0175354963684775
Energy: 1.0169423599793843
Energy: 1.0175354963668855
Energy: 1.0169423599801806
Energy: 1.0175354963668855
Energy: 0.9413063631576073
Energy: 1.0381746100778388
Energy: 0.9413063631576073
Energy: 1.0381746100786349
Energy: 0.9413063631568112
Energy: 1.0381746100778388
Energy: 0.9138830703206732
Energy: 0.9179975672874261
Energy: 0.9138830703373931
Energy: 0.9179975672874261
Energy: 0.913883070307138
Energy: 0.9179975672882223
Energy: 1.0772118139871734
Energy: 1.0679656624181078
Energy: 1.0772118139879696
Energy: 1.0679656624181078
Energy: 1.0772118139871734
Energy: 1.0679656624189038
Energy: 0.9410874123379547
Energy: 1.016561061262684
Energy: 0.941087412338751
Energy: 1.016561061262684
Energy: 0.9410874123403433
Energy: 1.0165610612634801
Energy: 1.0439704340043168
Energy: 1.0169113205222573
Energy: 1.0439704340035205
Energy: 1.0169113205214613
Energy: 1.0439704340035205
Energy: 1.0169113205214613
Energy: 0.9467078681955277
Energy: 0.9996934047323862
Energy: 0.9467078681963237
Energy: 0.9996934047323862
Energy: 0.9467078681963237
Energy: 0.9996934047331824
Energy: 0.9456307451106478
Energy: 0.9341287142729751
Energy: 0.9456307451170173
Energy: 0.9341287142713826
Energy: 0.9456307451170173
Energy: 0.9341287142713826
Energy: 0.9325374987016761
Energy: 1.0445430898010675
Energy: 0.9325374987016761
Energy: 1.0445430898002712
Energy: 0.9325374987032685
Energy: 1.0445430898018635
Energy: 0.9577498789608558
Energy: 0.9441213914740427
Energy: 0.9577498789608558
Energy: 0.9441213914740427
Energy: 0.9577498789600597
Energy: 0.9441213914740427
Energy: 0.9736040723945221
Energy: 0.9688057223150354
Energy: 0.9736040723921333
Energy: 0.9688057223158317
Energy: 0.9736040723897449
Energy: 0.9688057223158317
Energy: 0.9715835437751148
Energy: 1.0343273724830433
Energy: 0.9715835437743184
Energy: 1.0343273724830433
Energy: 0.9715835437751148
Energy: 1.0343273724830433
Energy: 0.9822736950237563
Energy: 0.9269894889728314
Energy: 0.9822736950253487
Energy: 0.9269894889736275
Energy: 0.9822736950261448
Energy: 0.9269894889728314
Energy: 1.022759600862554
Energy: 1.0211390777803167
Energy: 1.022759600862554
Energy: 1.0211390777819092
Energy: 1.022759600862554
Energy: 1.0211390777803167
Energy: 1.0800220764242938
Energy: 0.928130344290962
Energy: 1.0800220764234976
Energy: 0.928130344290962
Energy: 1.0800220764234976
Energy: 0.9281303442925543
Energy: 1.1167742896708748
Energy: 0.9403756289042148
Energy: 1.1167742896708748
Energy: 0.9403756289042148
Energy: 1.1167742896708748
Energy: 0.9403756289042148
Energy: 1.0455017242686167
Energy: 1.108703287609752
Energy: 1.0455017242686167
Energy: 1.1087032876105483
Energy: 1.0455017242678206
Energy: 1.1087032876105483
Energy: 1.0476089363720908
Energy: 0.928909227209478
Energy: 1.0136211254026861
Energy: 0.928909227209478
Energy: 1.0136211254026861
Energy: 0.9289092272086817

minimum gb energy = 0.8279109201020365 eV
minimum distance =  2.33001211091559 Angstroms
sigma value = 33


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

Energy: 1.2459174252264764
Energy: 1.0683836317918072
Energy: 1.1936136299978317
Energy: 1.068383631790797
Energy: 1.2459174252315273
Energy: 1.068383631790797
Energy: 1.0935354464916156
Energy: 1.1147742900438278
Energy: 1.093535446494646
Energy: 1.1147742900392823
Energy: 1.0935354464951512
Energy: 1.1147742900392823
Energy: 1.1283960025564206
Energy: 1.1070872553144633
Energy: 1.1283960025599564
Energy: 1.1070872553124427
Energy: 1.1283960025614717
Energy: 1.1070872553124427
Energy: 1.1644336277506062
Energy: 1.090477228293316
Energy: 1.164433627749091
Energy: 1.0904772282968518
Energy: 1.164433627748081
Energy: 1.0904772282963466
Energy: 1.0899005983438395
Energy: 1.0682244226390256
Energy: 1.0899005983418188
Energy: 1.0682244226380153
Energy: 1.0899005983443444
Energy: 1.0682244226380153
Energy: 1.2319669460098563
Energy: 1.0899990032585243
Energy: 1.2319669460149074
Energy: 1.2297875321093144
Energy: 1.2319669460164226
Energy: 1.0899990032585243
Energy: 1.04795764185871
Energy: 1.0128196088212664
Energy: 1.0479576418627508
Energy: 1.0128196088192463
Energy: 1.0479576418652758
Energy: 1.0128196088207615
Energy: 1.182242340214834
Energy: 1.1440423158333952
Energy: 1.1822423402143292
Energy: 1.14404231583188
Energy: 1.1822423402173596
Energy: 1.1440423158313748
Energy: 1.097896840022015
Energy: 1.1370237110731047
Energy: 1.0978871590016221
Energy: 1.13702371107563
Energy: 1.097896840027066
Energy: 1.1370237110761352
Energy: 1.1117817990924581
Energy: 1.1054253740925184
Energy: 1.1117817990929633
Energy: 1.105425374096559
Energy: 1.1117817990929633
Energy: 1.0849500018477607
Energy: 1.1679048328567134
Energy: 1.1682512071611033
Energy: 1.167911237223067
Energy: 1.1682512071575675
Energy: 1.167904832854188
Energy: 1.1682512071575675
Energy: 1.048612660496358
Energy: 1.11450168846902
Energy: 1.048612660496358
Energy: 1.1145016884695251
Energy: 1.048612660496358
Energy: 1.1145016884695251
Energy: 1.1956499254009096
Energy: 1.0724527694056687
Energy: 1.1956499254004047
Energy: 1.0724527693996075
Energy: 1.1956499253988895
Energy: 1.0724527693991024
Energy: 1.1170991443749838
Energy: 1.1723154045403401
Energy: 1.1170991443795295
Energy: 1.1723154045464013
Energy: 1.1170991443764993
Energy: 1.1723154045458961
Energy: 1.0816432657495625
Energy: 1.1140962086515895
Energy: 1.0816432657470367
Energy: 1.1140962086515895
Energy: 1.0816432657505726
Energy: 1.1140962086520947
Energy: 1.1609372422506474
Energy: 1.1089467084096616
Energy: 1.1609372422536781
Energy: 1.1089467084137024
Energy: 1.1609372422556985
Energy: 1.1089467084137024
Energy: 1.2038516255164495
Energy: 1.0641058289612202
Energy: 1.2038516255164495
Energy: 1.0641058289521288
Energy: 1.2038516255113987
Energy: 1.0641058289511187
Energy: 1.16301317190046
Energy: 1.2047962591785562
Energy: 1.163013171907026
Energy: 1.2047962591815868
Energy: 1.1630131719110668
Energy: 1.2047962591795662
Energy: 1.0486357395433827
Energy: 1.1590341445912182
Energy: 1.0486357395428778
Energy: 1.1590341432144864
Energy: 1.048635739539342
Energy: 1.1590341438576468
Energy: 1.2373718834742358
Energy: 1.0749223512523007
Energy: 1.237371883470195
Energy: 1.0749223512563415
Energy: 1.2373718834686798
Energy: 1.0749223512573518
Energy: 1.1264733608036765
Energy: 1.2168696110372037
Energy: 1.126473769562448
Energy: 1.2168696110316477
Energy: 1.1264733607971105
Energy: 1.2168696110326582
Energy: 1.0883435269841053
Energy: 1.0796990193227753
Energy: 1.0883435269841053
Energy: 1.0796990193182296
Energy: 1.088343526982085
Energy: 1.0796990193187346
Energy: 1.167207111981006
Energy: 1.1672062463828659
Energy: 1.0738615276229577
Energy: 1.1672062463884219
Energy: 1.167207111986057
Energy: 1.1672062463889268
Energy: 1.1886841914455768
Energy: 1.1108549630654214
Energy: 1.1416422944728115
Energy: 1.110854963062896
Energy: 1.1886841914496176
Energy: 1.110854963061886
Energy: 1.0931138775600744
Energy: 1.1169630461714473
Energy: 1.0488951398399398
Energy: 1.1169630461739728
Energy: 1.0931138775560336
Energy: 1.1169630461739728
Energy: 1.1418325780802647
Energy: 1.1752713368281382
Energy: 1.1418325780807697
Energy: 1.1752713368261176
Energy: 1.141832578082285
Energy: 1.1752713368261176
Energy: 1.0479768200857253
Energy: 1.075354245172357
Energy: 1.0479768200882509
Energy: 1.0753542451728622
Energy: 1.047976820087746
Energy: 1.0753542451733673
Energy: 1.1271206560679268
Energy: 1.2181154914055168
Energy: 1.1271206560674216
Energy: 1.218115491411578
Energy: 1.1271206560679268
Energy: 1.211896711381891
Energy: 1.1255656946756294
Energy: 1.0759028400258845
Energy: 1.1255656946725987
Energy: 1.075902840022349
Energy: 1.1255656946720938
Energy: 1.075902840022349
Energy: 1.0459651484643284
Energy: 1.0460687117509277
Energy: 1.0459651484643284
Energy: 1.046068711751433
Energy: 1.0459651484633183
Energy: 1.0460687117509277
Energy: 1.237505565432417
Energy: 1.220607512902372
Energy: 1.2375055654334275
Energy: 1.2206075129013616
Energy: 1.2375055654339324
Energy: 1.2206075129013616
Energy: 1.0524075600963185
Energy: 1.074998069659398
Energy: 1.0524210191341634
Energy: 1.0749980696664692
Energy: 1.0524075600968237
Energy: 1.0749980696664692
Energy: 1.1610200215785045
Energy: 1.2313635334612325
Energy: 1.1610225354275845
Energy: 1.231363533459717
Energy: 1.1610200215774942
Energy: 1.231363533459717
Energy: 1.1487659453096966
Energy: 1.118291791055594
Energy: 1.1487659453096966
Energy: 1.118291791054584
Energy: 1.148765945307171
Energy: 1.118291791054584
Energy: 1.0529176938911593
Energy: 1.1072555933638615
Energy: 1.0529176938921694
Energy: 1.107255593368912
Energy: 1.0529176938901492
Energy: 1.107255593368912
Energy: 1.1967295936260425
Energy: 1.070904760401407
Energy: 1.1967295936280629
Energy: 1.0709047604024173
Energy: 1.1967295936255373
Energy: 1.0709047604024173
Energy: 1.0950269477492767
Energy: 1.1180539276526797
Energy: 1.095026947747256
Energy: 1.118053927659246
Energy: 1.0950269477457408
Energy: 1.118053927659246

minimum gb energy = 1.0128196088192463 eV
minimum distance =  2.18662747752711 Angstroms
sigma value = 41


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

Energy: 1.3176142734516907
Energy: 1.2072442972542032
Energy: 1.3176142734516907
Energy: 1.2072442972542032
Energy: 1.3176142734530696
Energy: 1.2072442972555826
Energy: 1.1994004995502066
Energy: 1.249881658058376
Energy: 1.1994004995488274
Energy: 1.249881658058376
Energy: 1.1994004995502066
Energy: 1.249881658058376
Energy: 1.39946188702533
Energy: 1.3034139289238829
Energy: 1.3937019184450106
Energy: 1.3034139289238829
Energy: 1.3937019184450106
Energy: 1.3034139289238829
Energy: 1.275656302991864
Energy: 1.3304863231314483
Energy: 1.275656302991864
Energy: 1.3304863231314483
Energy: 1.275656302991864
Energy: 1.3304863231314483
Energy: 1.3205856489704697
Energy: 1.2380029400154917
Energy: 1.3205856489704697
Energy: 1.2380029400154917
Energy: 1.3205856489704697
Energy: 1.2380029400154917
Energy: 1.3752846919957689
Energy: 1.3435191461705367
Energy: 1.37528469199439
Energy: 1.3435191461705367
Energy: 1.3752846919916317
Energy: 1.3435191461705367
Energy: 1.28428813809678
Energy: 1.1906563062084665
Energy: 1.28428813809678
Energy: 1.1906563062084665
Energy: 1.28428813809678
Energy: 1.1906563062084665
Energy: 1.277662775087831
Energy: 1.27861328222345
Energy: 1.277662775087831
Energy: 1.27861328222345
Energy: 1.277662775087831
Energy: 1.27861328222345
Energy: 1.2039683923835318
Energy: 1.206563311998319
Energy: 1.2039683923835318
Energy: 1.206563311998319
Energy: 1.2039683923835318
Energy: 1.206563311998319
Energy: 1.3392209513883713
Energy: 1.2120482192045063
Energy: 1.339220951387055
Energy: 1.2120482192045063
Energy: 1.339220951387055
Energy: 1.2120482192045063
Energy: 1.201211647125456
Energy: 1.2870328243484794
Energy: 1.201211647125456
Energy: 1.2870328243484794
Energy: 1.201211647125456
Energy: 1.2870328243484794
Energy: 1.264808780955776
Energy: 1.2489308633452354
Energy: 1.264808780955776
Energy: 1.2489308633438563
Energy: 1.264808780955776
Energy: 1.2489308633438563
Energy: 1.3030172923544143
Energy: 1.331036810271316
Energy: 1.3030172923530354
Energy: 1.3310368102726953
Energy: 1.3030172923530354
Energy: 1.3310368102726953
Energy: 1.318075006005166
Energy: 1.2507314508584266
Energy: 1.318075006005166
Energy: 1.2507314508584266
Energy: 1.318075006005166
Energy: 1.2507314508598057

minimum gb energy = 1.1906563062084665 eV
minimum distance =  2.23263009440033 Angstroms
sigma value = 11


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

Energy: 1.462287957287665
Energy: 1.4355494293342466
Energy: 1.4622879572864533
Energy: 1.4355494293342466
Energy: 1.462287957287665
Energy: 1.4355494293342466
Energy: 1.3222563503336375
Energy: 1.4177424572883712
Energy: 1.3222563503342435
Energy: 1.4177424572877653
Energy: 1.3222563503348492
Energy: 1.4177424572877653
Energy: 1.4604808248202652
Energy: 1.4092516041414442
Energy: 1.4604808248214767
Energy: 1.4092516041414442
Energy: 1.4103063165446805
Energy: 1.4092516041414442
Energy: 1.4062468273597148
Energy: 1.3517466491675831
Energy: 1.4062468273591089
Energy: 1.3517466491675831
Energy: 1.4062468273591089
Energy: 1.3517466491669772
Energy: 1.443267873849349
Energy: 1.384591472520879
Energy: 1.4432678738505604
Energy: 1.384591472520879
Energy: 1.443267873849349
Energy: 1.3845914725214845
Energy: 1.3664396022434788
Energy: 1.4217460531012456
Energy: 1.3664396022428733
Energy: 1.4217460531012456
Energy: 1.3664396022428733
Energy: 1.4217460531012456
Energy: 1.4042175106302512
Energy: 1.4001797661552673
Energy: 1.404217510630857
Energy: 1.4001797661552673
Energy: 1.4042175106302512
Energy: 1.4001797661552673
Energy: 1.3823981453338994
Energy: 1.4051743013037445
Energy: 1.3823981453332934
Energy: 1.4051743013037445
Energy: 1.3823981453338994
Energy: 1.4051743013043503
Energy: 1.4053469582514535
Energy: 1.381814875752682
Energy: 1.4053469582514535
Energy: 1.381814875752682
Energy: 1.4053469582508475
Energy: 1.381814875753288
Energy: 1.381754719134362
Energy: 1.419157429717393
Energy: 1.381754719134362
Energy: 1.419157429717393
Energy: 1.381754719134362
Energy: 1.419157429717393
Energy: 1.3820633621255622
Energy: 1.4039130444414027
Energy: 1.3820633621261682
Energy: 1.4039130444414027
Energy: 1.3820633621261682
Energy: 1.4039130444414027
Energy: 1.4102886570238797
Energy: 1.4318304231089354
Energy: 1.4102886570244852
Energy: 1.4318304231083294
Energy: 1.4102886570250912
Energy: 1.4318304231083294
Energy: 1.4143898851781003
Energy: 1.3753370910886507
Energy: 1.4143898851781003
Energy: 1.3753370910892564
Energy: 1.4143898851781003
Energy: 1.3753370910892564
Energy: 1.378720326634727
Energy: 1.4381593627654912
Energy: 1.378720326634727
Energy: 1.438159362766097
Energy: 1.3787203266323038
Energy: 1.438159362766097
Energy: 1.3591945385788962
Energy: 1.374262514816409
Energy: 1.3591945385795021
Energy: 1.374262514815803
Energy: 1.3591945385788962
Energy: 1.374262514816409
Energy: 1.3978412762461923
Energy: 1.4000721621407903
Energy: 1.3978412762455865
Energy: 1.400072162138367
Energy: 1.3978412762455865
Energy: 1.400072162138367
Energy: 1.3416916638681688
Energy: 1.4136935772310906
Energy: 1.3416916638675633
Energy: 1.4136935772310906
Energy: 1.3416916638687473
Energy: 1.4136935772310906
Energy: 1.458574206937539
Energy: 1.4482296636140017
Energy: 1.458574206936933
Energy: 1.4482296508921852
Energy: 1.458574206937539
Energy: 1.448229632334161
Energy: 1.3631881915602886
Energy: 1.3309892215659378
Energy: 1.3631881915602886
Energy: 1.3309892215665438
Energy: 1.3631881915584712
Energy: 1.3309892215659378
Energy: 1.4120521822713763
Energy: 1.3863859077605194
Energy: 1.412052182273194
Energy: 1.3863859077605194
Energy: 1.4120521822719823
Energy: 1.3863859077599134
Energy: 1.3332032742293578
Energy: 1.3594777191285459
Energy: 1.3332032742293578
Energy: 1.3594777191291516
Energy: 1.3332032742293578
Energy: 1.3594777191285459
Energy: 1.4831257492847894
Energy: 1.4342705649479925
Energy: 1.4831257492847894
Energy: 1.4342705649473868
Energy: 1.4831257492847894
Energy: 1.4342705649479925
Energy: 1.3858569410598214
Energy: 1.4093276583588175
Energy: 1.3858569410598214
Energy: 1.4093276583588175
Energy: 1.3858569410598214
Energy: 1.4093276583588175
Energy: 1.44670741867065
Energy: 1.4170575003423558
Energy: 1.4467074186712559
Energy: 1.4170575003423558
Energy: 1.4467074186712559
Energy: 1.41705750034175
Energy: 1.3771556100295586
Energy: 1.3934062985654685
Energy: 1.3771556100301643
Energy: 1.3934062985660745
Energy: 1.3771556100295586
Energy: 1.3934062985648625
Energy: 1.3789321575640179
Energy: 1.3894048104300234
Energy: 1.3789321575628064
Energy: 1.3894048104300234
Energy: 1.3789321575634124
Energy: 1.3894048104300234
Energy: 1.3645817021199937
Energy: 1.441479436512932
Energy: 1.3645817021205997
Energy: 1.4414794365105086
Energy: 1.3645817021205997
Energy: 1.4414794365105086
Energy: 1.4249938087704448
Energy: 1.3577572248723058
Energy: 1.4249938087698388
Energy: 1.3577572248723058
Energy: 1.4249938087698388
Energy: 1.3577572248717
Energy: 1.3799555741705993
Energy: 1.4504778585527247
Energy: 1.3799555741712053
Energy: 1.4504778585527247
Energy: 1.3799555741712053
Energy: 1.4504778585527247
Energy: 1.3615694130947447
Energy: 1.3152879963312814
Energy: 1.3615694130947447
Energy: 1.3152879963312814
Energy: 1.3615694130941387
Energy: 1.3152879963312814
Energy: 1.3890810357083854
Energy: 1.4476035137031609
Energy: 1.389081035708991
Energy: 1.4476035137031609
Energy: 1.3890810357083854
Energy: 1.4476035137031609

minimum gb energy = 1.3152879963312814 eV
minimum distance =  2.20726036278871 Angstroms
sigma value = 57


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

Energy: 1.3436241436607994
Energy: 1.3251748917169073
Energy: 1.3436241436607994
Energy: 1.3251748917169073
Energy: 1.3436241436607994
Energy: 1.3251748917169073
Energy: 1.4268923445058688
Energy: 1.407810734264023
Energy: 1.4268923445047905
Energy: 1.407810734264023
Energy: 1.4268923445047905
Energy: 1.407810734264023
Energy: 1.4308953460716665
Energy: 1.385236466943973
Energy: 1.4308953460716665
Energy: 1.385236466943973
Energy: 1.4308953460705884
Energy: 1.385236466943973
Energy: 1.3610867421340207
Energy: 1.4880051425519263
Energy: 1.3610867421340207
Energy: 1.4880051425519263
Energy: 1.3610867421340207
Energy: 1.4880051425519263
Energy: 1.4307567091995466
Energy: 1.3852499317780738
Energy: 1.4307567091973905
Energy: 1.3852499317769955
Energy: 1.4307567092006248
Energy: 1.3852499317769955
Energy: 1.427008618469247
Energy: 1.4112127750985268
Energy: 1.427008618469247
Energy: 1.4112127750985268
Energy: 1.427008618469247
Energy: 1.411212775099605
Energy: 1.3436241436629555
Energy: 1.3251748917158295
Energy: 1.3436241436618772
Energy: 1.3251748917158295
Energy: 1.3436241436629555
Energy: 1.3251748917158295
Energy: 1.4268923445058688
Energy: 1.4078107342672572
Energy: 1.4268923445047905
Energy: 1.4078107342672572
Energy: 1.4268923445047905
Energy: 1.4078107342672572
Energy: 1.4308953460749008
Energy: 1.385236466941817
Energy: 1.4308953460749008
Energy: 1.385236466941817
Energy: 1.4308953460749008
Energy: 1.385236466941817
Energy: 1.3610867421340207
Energy: 1.4880051425508483
Energy: 1.3610867421340207
Energy: 1.4880051425508483
Energy: 1.3610867421340207
Energy: 1.4880051425508483
Energy: 1.4307567092006248
Energy: 1.3852499317759175
Energy: 1.4307567092006248
Energy: 1.3852499317748397
Energy: 1.4307567092006248
Energy: 1.3852499317748397
Energy: 1.427008618471403
Energy: 1.4112127751017611
Energy: 1.427008618471403
Energy: 1.4112127751017611
Energy: 1.427008618471403
Energy: 1.4112127751017611
Energy: 1.3436241436607994
Energy: 1.3251748917169073
Energy: 1.3436241436607994
Energy: 1.3251748917169073
Energy: 1.3436241436607994
Energy: 1.3251748917169073
Energy: 1.4268923445047905
Energy: 1.4078107342629451
Energy: 1.4268923445047905
Energy: 1.4078107342629451
Energy: 1.4268923445047905
Energy: 1.407810734264023
Energy: 1.4308953460716665
Energy: 1.385236466943973
Energy: 1.4308953460716665
Energy: 1.385236466943973
Energy: 1.4308953460716665
Energy: 1.385236466943973
Energy: 1.3610867421329425
Energy: 1.4880051425519263
Energy: 1.3610867421340207
Energy: 1.4880051425519263
Energy: 1.3610867421329425
Energy: 1.4880051425519263
Energy: 1.4307567091995466
Energy: 1.3852499317780738
Energy: 1.4307567091984688
Energy: 1.3852499317780738
Energy: 1.4307567091995466
Energy: 1.3852499317769955

minimum gb energy = 1.3251748917158295 eV
minimum distance =  2.26634235270344 Angstroms
sigma value = 9


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

Energy: 1.4406364051023457
Energy: 1.5356387487403396
Energy: 1.4406364051023457
Energy: 1.5356387487403396
Energy: 1.4406364051023457
Energy: 1.5356387487403396
Energy: 1.4711251783381671
Energy: 1.4492697489083102
Energy: 1.4711251783381671
Energy: 1.4492697489083102
Energy: 1.4711251783381671
Energy: 1.4492697489083102
Energy: 1.5083451685174587
Energy: 1.43047497162701
Energy: 1.5083451685183389
Energy: 1.43047497162701
Energy: 1.5083451685183389
Energy: 1.43047497162701
Energy: 1.4111902476988902
Energy: 1.559672604851194
Energy: 1.4111902476988902
Energy: 1.5596726048538345
Energy: 1.4111902476988902
Energy: 1.5596726048529543
Energy: 1.4353657782429987
Energy: 1.4455894832381426
Energy: 1.4353657782429987
Energy: 1.4455894832381426
Energy: 1.4353657782429987
Energy: 1.4455894832381426
Energy: 1.4461822334155239
Energy: 1.4177063739938145
Energy: 1.4461822334155239
Energy: 1.4177063739929343
Energy: 1.4461822334155239
Energy: 1.4177063739938145
Energy: 1.4143220279143927
Energy: 1.487518817681992
Energy: 1.4143220279135125
Energy: 1.4875188176828724
Energy: 1.4143220279135125
Energy: 1.487518817681992
Energy: 1.4407464345722185
Energy: 1.4664299190514383
Energy: 1.4407464345722185
Energy: 1.4664299190523185
Energy: 1.4407464345722185
Energy: 1.4664299190514383
Energy: 1.6140674396352785
Energy: 1.4540260400936744
Energy: 1.614067439634438
Energy: 1.454026040092794
Energy: 1.6140674396317976
Energy: 1.4540260400936744
Energy: 1.4107924996262684
Energy: 1.4577113964411939
Energy: 1.4107924996271486
Energy: 1.4577113964411939
Energy: 1.4107924996253884
Energy: 1.4577113964411939
Energy: 1.4429906631040679
Energy: 1.4625027405032622
Energy: 1.442990663104948
Energy: 1.4625027405032622
Energy: 1.442990663104948
Energy: 1.4625027405041424
Energy: 1.5310138183856918
Energy: 1.4315482459389546
Energy: 1.5310138183839312
Energy: 1.4315482459389546
Energy: 1.5310138183839312
Energy: 1.4315482459389546
Energy: 1.4143970921663764
Energy: 1.4815341989304718
Energy: 1.4143970921663764
Energy: 1.4815341989313522
Energy: 1.414397092165496
Energy: 1.4815341989331126
Energy: 1.4562772609099666
Energy: 1.509787260769224
Energy: 1.4562772609099666
Energy: 1.509787260769224
Energy: 1.4562772609099666
Energy: 1.509787260769224
Energy: 1.4774617658151077
Energy: 1.4286531653519716
Energy: 1.4774617658133473
Energy: 1.4286531653510917
Energy: 1.5323687257138707
Energy: 1.4286531653502115
Energy: 1.4416378847943172
Energy: 1.4662407473980001
Energy: 1.4416378847907962
Energy: 1.4662407473980001
Energy: 1.4416378847934368
Energy: 1.4662407473988806
Energy: 1.4648944410931881
Energy: 1.4603196787260981
Energy: 1.4648944410931881
Energy: 1.4603196787260981
Energy: 1.4648944410931881
Energy: 1.4603196787269785
Energy: 1.614174822332574
Energy: 1.4307708137142556
Energy: 1.6141748223343346
Energy: 1.4307708137142556
Energy: 1.6141748223334544
Energy: 1.4307708137151358
Energy: 1.4185029880110782
Energy: 1.4631249629383247
Energy: 1.418502988010198
Energy: 1.4631249629383247
Energy: 1.4185029880110782
Energy: 1.4631249629392051
Energy: 1.419920705711923
Energy: 1.4746387099352287
Energy: 1.4199207057110428
Energy: 1.4746387099352287
Energy: 1.419920705711923
Energy: 1.4746387099352287
Energy: 1.5333418278728372
Energy: 1.4272397801810468
Energy: 1.5333418278728372
Energy: 1.4272397801810468
Energy: 1.5333418278728372
Energy: 1.4272397801810468

minimum gb energy = 1.4107924996253884 eV
minimum distance =  2.24394549076661 Angstroms
sigma value = 27


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

Energy: 1.3956961120283933
Energy: 1.4489310262812545
Energy: 1.3956961120283933
Energy: 1.4489310262819963
Energy: 1.3956961120276512
Energy: 1.4489310262819963
Energy: 1.408175803482479
Energy: 1.386308326776567
Energy: 1.408175803481737
Energy: 1.386308326776567
Energy: 1.408175803482479
Energy: 1.386308326776567
Energy: 1.4908080559602845
Energy: 1.3476405301362526
Energy: 1.4908080559610266
Energy: 1.3476405301362526
Energy: 1.4908080559602845
Energy: 1.3476405301362526
Energy: 1.3302393842315017
Energy: 1.4498068141936955
Energy: 1.3302393842322437
Energy: 1.4498068141936955
Energy: 1.3302393842315017
Energy: 1.4498068141936955
Energy: 1.381447788457955
Energy: 1.4194482840132705
Energy: 1.3814477884586969
Energy: 1.4194482840125284
Energy: 1.3814477884586969
Energy: 1.4194482840132705
Energy: 1.3886593537384928
Energy: 1.330246552269429
Energy: 1.3886593537377507
Energy: 1.330246552269429
Energy: 1.3886593537377507
Energy: 1.330246552269429
Energy: 1.3638678342360058
Energy: 1.468388940151841
Energy: 1.3638678342352637
Energy: 1.4683889401510992
Energy: 1.3638678342360058
Energy: 1.4683889401510992
Energy: 1.452077835877621
Energy: 1.4876432449677173
Energy: 1.4520778358783628
Energy: 1.4876432449677173
Energy: 1.4520778358768789
Energy: 1.4876432449677173
Energy: 1.4355162369340642
Energy: 1.3303014335222918
Energy: 1.435516236933322
Energy: 1.3303014335222918
Energy: 1.435516236933322
Energy: 1.3303014335215497
Energy: 1.3302691463831608
Energy: 1.4638711291625361
Energy: 1.3302691463831608
Energy: 1.4638711291625361
Energy: 1.3302691463831608
Energy: 1.463871129163278
Energy: 1.3302678177702167
Energy: 1.4494426305944825
Energy: 1.3302678177709586
Energy: 1.4494426305944825
Energy: 1.3302678177702167
Energy: 1.4494426305944825
Energy: 1.464393926435912
Energy: 1.3653904062079454
Energy: 1.464393926435912
Energy: 1.3653904062086872
Energy: 1.464393926436654
Energy: 1.3653904062086872
Energy: 1.4463303825429565
Energy: 1.4150289854636129
Energy: 1.4463303825429565
Energy: 1.415028985464355
Energy: 1.4463303825429565
Energy: 1.415028985464355
Energy: 1.3305600139942442
Energy: 1.4341734227416667
Energy: 1.3305600139942442
Energy: 1.4341734227416667
Energy: 1.3305600139949862
Energy: 1.4341734227416667
Energy: 1.3889645674671867
Energy: 1.3302324395638225
Energy: 1.3889645674664446
Energy: 1.3302324395630807
Energy: 1.3889645674657025
Energy: 1.3302324395630807
Energy: 1.3877819515189753
Energy: 1.3650947624515963
Energy: 1.3877819515189753
Energy: 1.3650947624523382
Energy: 1.3877819515189753
Energy: 1.3650947624515963
Energy: 1.361332195597219
Energy: 1.47703598704113
Energy: 1.361332195596477
Energy: 1.47703598704113
Energy: 1.361332195597219
Energy: 1.4770359870403877
Energy: 1.412099624195341
Energy: 1.3481909759429636
Energy: 1.4120996241945991
Energy: 1.3481909759437056
Energy: 1.4120996241945991
Energy: 1.3481909759437056
Energy: 1.3833139819027336
Energy: 1.380658703560663
Energy: 1.3833139819027336
Energy: 1.380658703560663
Energy: 1.3833139819034757
Energy: 1.380658703560663
Energy: 1.3956961120276512
Energy: 1.4489310262819963
Energy: 1.3956961120276512
Energy: 1.4489310262827382
Energy: 1.3956961120269094
Energy: 1.4489310262819963
Energy: 1.408175803484705
Energy: 1.386308326778051
Energy: 1.408175803484705
Energy: 1.386308326778051
Energy: 1.408175803484705
Energy: 1.386308326778051
Energy: 1.4908080559625105
Energy: 1.3476405301384784
Energy: 1.4908080559625105
Energy: 1.3476405301392205
Energy: 1.4908080559625105
Energy: 1.3476405301384784
Energy: 1.3302393842322437
Energy: 1.4498068141922116
Energy: 1.3302393842315017
Energy: 1.4498068141922116
Energy: 1.3302393842322437
Energy: 1.4498068141922116
Energy: 1.381447788457955
Energy: 1.4194482840110445
Energy: 1.381447788457955
Energy: 1.4194482840103027
Energy: 1.381447788457955
Energy: 1.4194482840110445
Energy: 1.3886593537384928
Energy: 1.330246552270171
Energy: 1.3886593537377507
Energy: 1.330246552270171
Energy: 1.3886593537384928
Energy: 1.330246552270171

minimum gb energy = 1.3302324395630807 eV
minimum distance =  2.29042608759839 Angstroms
sigma value = 19


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

Energy: 1.3263947276474157
Energy: 1.5384770915055157
Energy: 1.3263947276474157
Energy: 1.5384770915055157
Energy: 1.3263947276467754
Energy: 1.5384770915055157
Energy: 1.4453742637818718
Energy: 1.3293859243496018
Energy: 1.4453742637818718
Energy: 1.3293859243496018
Energy: 1.4453742637812312
Energy: 1.3293859243496018
Energy: 1.5543727736525694
Energy: 1.267533667345353
Energy: 1.490689336194228
Energy: 1.267533667345353
Energy: 1.490689336194228
Energy: 1.267533667345353
Energy: 1.2876670462106914
Energy: 1.4629477001658977
Energy: 1.2876670462106914
Energy: 1.4629477001658977
Energy: 1.2876670462106914
Energy: 1.4629477001658977
Energy: 1.3704019191248464
Energy: 1.4326181173876276
Energy: 1.3704019191254868
Energy: 1.4326181173876276
Energy: 1.3704019191248464
Energy: 1.4326181173882682
Energy: 1.4282457477803419
Energy: 1.2903451857829256
Energy: 1.4282457477809825
Energy: 1.2903451857829256
Energy: 1.4282457477803419
Energy: 1.2903451857829256
Energy: 1.273994215594673
Energy: 1.4257023810022669
Energy: 1.273994215594673
Energy: 1.4257023810029075
Energy: 1.273994215594673
Energy: 1.4257023810022669
Energy: 1.33496681772519
Energy: 1.4316329534958392
Energy: 1.33496681772519
Energy: 1.43163295349712
Energy: 1.33496681772519
Energy: 1.4316329534964796
Energy: 1.5385565971350956
Energy: 1.2668353971750987
Energy: 1.5385565971350956
Energy: 1.2668353971750987
Energy: 1.5385565971350956
Energy: 1.2668353971750987
Energy: 1.4007121118262367
Energy: 1.397937253019431
Energy: 1.4007121118268773
Energy: 1.397937253019431
Energy: 1.4007121118262367
Energy: 1.397937253019431
Energy: 1.26850079348064
Energy: 1.5833358319619606
Energy: 1.26850079348064
Energy: 1.5833358319632416
Energy: 1.26850079348064
Energy: 1.583335831962601
Energy: 1.5004488867683299
Energy: 1.2908955700754328
Energy: 1.5004488867676893
Energy: 1.2908955700754328
Energy: 1.5004488867670487
Energy: 1.2908955700754328
Energy: 1.35079434375076
Energy: 1.3158194437831319
Energy: 1.3507943437501193
Energy: 1.3158194437856938
Energy: 1.3507943437501193
Energy: 1.3158194437824913
Energy: 1.2882474188691113
Energy: 1.4436236067497388
Energy: 1.2882474188691113
Energy: 1.4436236067497388
Energy: 1.2882474188697517
Energy: 1.4436236067497388
Energy: 1.4635102416444838
Energy: 1.2677722946799501
Energy: 1.4635102416438432
Energy: 1.2677722946799501
Energy: 1.4635102416444838
Energy: 1.2677722946799501
Energy: 1.4338388049935438
Energy: 1.2670141457641966
Energy: 1.4338388049973865
Energy: 1.2670141457641966
Energy: 1.433838804996746
Energy: 1.2670141457641966
Energy: 1.3025991127101368
Energy: 1.4712477944604287
Energy: 1.3025991127101368
Energy: 1.4712477944604287
Energy: 1.3025991127107772
Energy: 1.4712477944604287
Energy: 1.4145056453091327
Energy: 1.4012141567763043
Energy: 1.4145056453091327
Energy: 1.401214156776945
Energy: 1.4145056453091327
Energy: 1.401214156776945
Energy: 1.5074600730676158
Energy: 1.2883697124231928
Energy: 1.5074600730688965
Energy: 1.2883697124225522
Energy: 1.474734742672676
Energy: 1.2883697124225522
Energy: 1.288839071948008
Energy: 1.4612137188479812
Energy: 1.288839071948008
Energy: 1.4612137188479812
Energy: 1.288839071948008
Energy: 1.461213718847341
Energy: 1.272096430568317
Energy: 1.5016854912254503
Energy: 1.272096430568317
Energy: 1.5016854912248099
Energy: 1.272096430568317
Energy: 1.5016854912241693
Energy: 1.546834311746343
Energy: 1.2903733052552937
Energy: 1.5468343117450623
Energy: 1.2903733052552937
Energy: 1.5468343117450623
Energy: 1.2903733052552937
Energy: 1.3771762470199602
Energy: 1.3315931032760158
Energy: 1.3771762470199602
Energy: 1.3315931032760158
Energy: 1.3771762470199602
Energy: 1.3315931032753752
Energy: 1.3205707242311775
Energy: 1.486588576135736
Energy: 1.3205707242318179
Energy: 1.486588576135736
Energy: 1.3205707242318179
Energy: 1.486588576135736
Energy: 1.4195293242808291
Energy: 1.2937271714839356
Energy: 1.4195293242808291
Energy: 1.2937271714839356
Energy: 1.4195293242808291
Energy: 1.2937271714839356
Energy: 1.3335706485822925
Energy: 1.3008889362421
Energy: 1.3335706485822925
Energy: 1.3008889362421
Energy: 1.333570648581652
Energy: 1.3008889362421
Energy: 1.26487747905182
Energy: 1.4550988939938334
Energy: 1.2648774790524606
Energy: 1.4550988939938334
Energy: 1.26487747905182
Energy: 1.4550988939938334
Energy: 1.460597101808321
Energy: 1.288396821238638
Energy: 1.460597101808321
Energy: 1.2883968212392785
Energy: 1.460597101808321
Energy: 1.288396821238638
Energy: 1.4309377132522816
Energy: 1.2882921893733683
Energy: 1.4309377132522816
Energy: 1.2882921893733683
Energy: 1.4309377132522816
Energy: 1.2882921893733683

minimum gb energy = 1.26487747905182 eV
minimum distance =  2.25134912319346 Angstroms
sigma value = 101


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

Energy: 1.2458557503364411
Energy: 1.4539145159730973
Energy: 1.2458557503370045
Energy: 1.4539145159742233
Energy: 1.2458557503364411
Energy: 1.4539145159742233
Energy: 1.3817964970204335
Energy: 1.255252604996383
Energy: 1.3817964970204335
Energy: 1.2552526049969461
Energy: 1.3817964970198706
Energy: 1.2552526049969461
Energy: 1.4404553229407604
Energy: 1.2277751753707722
Energy: 1.4404553229407604
Energy: 1.2277751753713353
Energy: 1.4404553229401973
Energy: 1.2277751753707722
Energy: 1.1983002802051226
Energy: 1.450067602119163
Energy: 1.1983002802051226
Energy: 1.4500676021197259
Energy: 1.1983002802051226
Energy: 1.450067602119163
Energy: 1.3116443435626817
Energy: 1.2602782794685947
Energy: 1.3116443435621188
Energy: 1.2602782794680318
Energy: 1.3116443435626817
Energy: 1.2602782794669058
Energy: 1.4315184543284065
Energy: 1.20934767382463
Energy: 1.4315184543284065
Energy: 1.20934767382463
Energy: 1.4315184543284065
Energy: 1.20934767382463
Energy: 1.2559905965975249
Energy: 1.3795891445195618
Energy: 1.255990596596399
Energy: 1.3795891445189992
Energy: 1.2559905965975249
Energy: 1.37958914451731
Energy: 1.1978546190125399
Energy: 1.4307844378864787
Energy: 1.1978546190131032
Energy: 1.4307844378892935
Energy: 1.1978546190119772
Energy: 1.4307844378898564
Energy: 1.4305717890970393
Energy: 1.2113196417883079
Energy: 1.430571789095913
Energy: 1.2113196417871819
Energy: 1.4305717890964764
Energy: 1.211319641787745
Energy: 1.3114188570765166
Energy: 1.3075656624029577
Energy: 1.3114188570765166
Energy: 1.3075656624023948
Energy: 1.3114188570770797
Energy: 1.3075656624007057
Energy: 1.1973174029138947
Energy: 1.5826795379930456
Energy: 1.1973174029133313
Energy: 1.5826795379924827
Energy: 1.1973174029138947
Energy: 1.5826795379930456
Energy: 1.3056456494797337
Energy: 1.2572577380607177
Energy: 1.3056456494791704
Energy: 1.2572577380607177
Energy: 1.3056456494791704
Energy: 1.2572577380601548
Energy: 1.406050951242176
Energy: 1.2278755403200439
Energy: 1.406050951241613
Energy: 1.227875540320607
Energy: 1.406050951242176
Energy: 1.227875540320607
Energy: 1.2458226501356586
Energy: 1.6618697260346391
Energy: 1.2458226501350955
Energy: 1.4503981572655573
Energy: 1.2458226501356586
Energy: 1.4503981572666835
Energy: 1.2460756406118545
Energy: 1.3191050456748363
Energy: 1.2460756406112916
Energy: 1.3191050456753992
Energy: 1.2460756406124176
Energy: 1.3191050456748363
Energy: 1.4395316384371846
Energy: 1.23077793503479
Energy: 1.4395316384371846
Energy: 1.23077793503479
Energy: 1.4395316384371846
Energy: 1.23077793503479
Energy: 1.1921766703202523
Energy: 1.3980745180375813
Energy: 1.1921766703208152
Energy: 1.3980745180392191
Energy: 1.1921766703196892
Energy: 1.3980745180442862
Energy: 1.192053623807426
Energy: 1.3939696853149626
Energy: 1.192053623807426
Energy: 1.3939696853143997
Energy: 1.192053623807989
Energy: 1.3939696853143997
Energy: 1.4318881098841016
Energy: 1.209555083505116
Energy: 1.431888109884665
Energy: 1.209555083505679
Energy: 1.4318881098835388
Energy: 1.209555083505679
Energy: 1.2550655776799833
Energy: 1.330475837413476
Energy: 1.2550655776799833
Energy: 1.330475837413476
Energy: 1.2550655776794715
Energy: 1.330475837413476
Energy: 1.2165022369335972
Energy: 1.5926763773861026
Energy: 1.2165022369341603
Energy: 1.5926763773849764
Energy: 1.2165022369335972
Energy: 1.5926763773889174
Energy: 1.4162577497044826
Energy: 1.2091414393826412
Energy: 1.4162577497039197
Energy: 1.2091414393826412
Energy: 1.4162577497039197
Energy: 1.2091414393826412
Energy: 1.4067845720501917
Energy: 1.2091687913767273
Energy: 1.4067845720496286
Energy: 1.2091687913767273
Energy: 1.4067845720507546
Energy: 1.2091687913767273
Energy: 1.1984298227232277
Energy: 1.4668460286143625
Energy: 1.1984298227226649
Energy: 1.4668460286143625
Energy: 1.1984298227226649
Energy: 1.4668460286137992
Energy: 1.3495696701662927
Energy: 1.2625587896347694
Energy: 1.3495696701657298
Energy: 1.2625587896347694
Energy: 1.3495696701657298
Energy: 1.2625587896358954
Energy: 1.4056450843356307
Energy: 1.230824042895965
Energy: 1.4056450843350679
Energy: 1.230824042895965
Energy: 1.4056450843356307
Energy: 1.230824042895965
Energy: 1.245827877269526
Energy: 1.4879911155092225
Energy: 1.245827877269526
Energy: 1.4879911155092225
Energy: 1.2458278772700888
Energy: 1.4879911155086594
Energy: 1.245784568478285
Energy: 1.368655473649052
Energy: 1.2457845684777218
Energy: 1.3686554736501777
Energy: 1.2457845684777218
Energy: 1.3686554736501777
Energy: 1.4668585379445824
Energy: 1.2278072802398203
Energy: 1.4668585379434564
Energy: 1.2278072802398203
Energy: 1.4668585379445824
Energy: 1.2278072802398203
Energy: 1.1921491489814837
Energy: 1.3679664817890962
Energy: 1.1921491489809206
Energy: 1.3679664817890962
Energy: 1.1921491489814837
Energy: 1.3679664817890962
Energy: 1.1916775675124003
Energy: 1.4238496131758736
Energy: 1.1916775675129632
Energy: 1.4238496131758736
Energy: 1.1916775675124003
Energy: 1.4238496131764364
Energy: 1.4682559644334685
Energy: 1.2091116843660248
Energy: 1.4682559644334685
Energy: 1.2091116843660248
Energy: 1.4682559644340314
Energy: 1.2091116843660248
Energy: 1.417496475239697
Energy: 1.20915490700267
Energy: 1.4174964752402603
Energy: 1.20915490700267
Energy: 1.417496475239697
Energy: 1.20915490700267

minimum gb energy = 1.1916775675124003 eV
minimum distance =  2.27195759092526 Angstroms
sigma value = 33


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

Energy: 0.02053686404970525
Energy: 1.1771049420839852
Energy: 0.02053686404970525
Energy: 1.1771049420849207
Energy: 0.02053686404970525
Energy: 1.1771049420849207
Energy: 0.02169417729709062
Energy: 0.4279916778241656
Energy: 0.021694177297558397
Energy: 0.4279916778241656
Energy: 0.021694177296622853
Energy: 0.4279916778241656
Energy: 1.177292599600356
Energy: 0.42865143584937637
Energy: 1.1772926001398525
Energy: 0.42865143584937637
Energy: 1.1772925996666759
Energy: 0.428651435848025
Energy: 0.021694177295739286
Energy: 0.42799167782323
Energy: 0.021694177295739286
Energy: 0.4279916778236978
Energy: 0.021694177295739286
Energy: 0.4279916778222944

minimum gb energy = 0.02053686404970525 eV
minimum distance =  2.4785275239363 Angstroms
sigma value = 1