Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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=3.5224674642086033
cohesive_energy=4.44900897936396
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: 0.018132626226509137
Energy: 0.9432458065604398
Energy: 0.018132626226509137
Energy: 0.9432458065604398
Energy: 0.018132626226509137
Energy: 0.9432458065604398
Energy: 0.9432458065604398
Energy: 1.01062439351477
Energy: 0.9432458065607701
Energy: 1.0106243935112105
Energy: 0.9432458065607701
Energy: 1.01062439351477
Energy: 0.018132626226178835
Energy: 0.9432458065607701
Energy: 0.018132626226178835
Energy: 0.9432458065607701
Energy: 0.018132626226509137
Energy: 0.9432458065607701
Energy: 0.9432458065604398
Energy: 1.0106243935076504
Energy: 0.9432458065607701
Energy: 1.3875448165510573
Energy: 0.9432458065607701
Energy: 1.0106243935151005
Energy: 0.018132626226509137
Energy: 0.9432458065604398
Energy: 0.018132626226509137
Energy: 0.9432458065604398
Energy: 0.018132626226509137
Energy: 0.9432458065611004
Energy: 0.9432458065607701
Energy: 1.0106243935086414
Energy: 0.9432458065607701
Energy: 1.0106243935151005
Energy: 0.9432458065611004
Energy: 1.0106243935086414

minimum gb energy = 0.018132626226178835 eV
minimum distance =  2.366421890793 Angstroms
sigma value = 1


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

Energy: 1.2908405638442122
Energy: 1.2613024035539133
Energy: 1.2908405638450076
Energy: 1.2613024035539133
Energy: 1.2908405638442122
Energy: 1.2613024035531182
Energy: 1.3820948623626303
Energy: 1.1940363533451017
Energy: 1.3820948623642204
Energy: 1.1940363533451017
Energy: 1.3820948623634253
Energy: 1.1940363533451017
Energy: 1.2354896106634035
Energy: 1.314849278594204
Energy: 1.2354896106641988
Energy: 1.3148492785949988
Energy: 1.2354896106634035
Energy: 1.314849278593409
Energy: 1.4166039974952835
Energy: 1.2307871724207493
Energy: 1.4166039974968738
Energy: 1.2307871724199544
Energy: 1.4166039974976687
Energy: 1.2307871724199544
Energy: 1.2500660178027838
Energy: 1.3011148564217683
Energy: 1.2500660178003986
Energy: 1.3011148564225634
Energy: 1.2500660177988085
Energy: 1.3011148564193833
Energy: 1.3005132599133253
Energy: 1.187943245156699
Energy: 1.3005132599141205
Energy: 1.187943245157494
Energy: 1.3005132599141205
Energy: 1.187943245155904
Energy: 1.2170120109541218
Energy: 1.2700406096591024
Energy: 1.2170120109533267
Energy: 1.2700406096598975
Energy: 1.2170120109541218
Energy: 1.2700406096591024
Energy: 1.2230294102005195
Energy: 1.3508461388265482
Energy: 1.2230294102029045
Energy: 1.350846138825753
Energy: 1.2230294102021095
Energy: 1.3508461388249582
Energy: 1.3509866566050117
Energy: 1.2787718222456816
Energy: 1.3509866566058069
Energy: 1.2787718222456816
Energy: 1.3509866566050117
Energy: 1.2787718222456816
Energy: 1.1704457844541316
Energy: 1.3479557315289634
Energy: 1.1704457844525418
Energy: 1.3479557315289634
Energy: 1.1704457844517464
Energy: 1.3479557315297586
Energy: 1.3081726342140232
Energy: 1.188317003320092
Energy: 1.3081726342140232
Energy: 1.1883170033192967
Energy: 1.3081726342132283
Energy: 1.188317003320092
Energy: 1.1639364760617439
Energy: 1.3953947522864711
Energy: 1.1639364760609485
Energy: 1.3953947522848809
Energy: 1.163936476062539
Energy: 1.3953947522848809
Energy: 1.417064879898133
Energy: 1.1667917849743086
Energy: 1.417064879898133
Energy: 1.1667917849743086
Energy: 1.4170648798965428
Energy: 1.1667917849743086
Energy: 1.2027149498577778
Energy: 1.2566115157263962
Energy: 1.2027149498577778
Energy: 1.256611515725601
Energy: 1.2027149498585727
Energy: 1.256611515725601
Energy: 1.4381472552869352
Energy: 1.1815201995888396
Energy: 1.4381472552845502
Energy: 1.1815201995880447
Energy: 1.4381472552853451
Energy: 1.1815201995888396
Energy: 1.4356724408867623
Energy: 1.3085240131527176
Energy: 1.4356724408867623
Energy: 1.3085240131527176
Energy: 1.4356724408859671
Energy: 1.3085240131519222
Energy: 1.2591747447366861
Energy: 1.2838994687729688
Energy: 1.2591747447374813
Energy: 1.2838994687729688
Energy: 1.2591747447366861
Energy: 1.2838994687729688
Energy: 1.2588433071891298
Energy: 1.2295435878113181
Energy: 1.2588433071883347
Energy: 1.2295435878105228
Energy: 1.2588433071883347
Energy: 1.2295435878113181
Energy: 1.2657317286199883
Energy: 1.2289026664518439
Energy: 1.265731728619193
Energy: 1.2289026664518439
Energy: 1.265731728619193
Energy: 1.2289026664518439
Energy: 1.328285800297249
Energy: 1.1879343165104992
Energy: 1.3282858002964537
Energy: 1.1879343165104992
Energy: 1.3282858002964537
Energy: 1.187934316509704
Energy: 1.195937957818849
Energy: 1.380251253635465
Energy: 1.195937957818849
Energy: 1.380251253635465
Energy: 1.195937957818054
Energy: 1.380251253635465
Energy: 1.3205241912070254
Energy: 1.2710161595289895
Energy: 1.3205241912078205
Energy: 1.2710161595289895
Energy: 1.3205241912078205
Energy: 1.2710161595289895
Energy: 1.1753687946822486
Energy: 1.3798621005568439
Energy: 1.1753687946822486
Energy: 1.3798621005568439
Energy: 1.175368794683839
Energy: 1.3798621005568439

minimum gb energy = 1.1639364760609485 eV
minimum distance =  2.3076888467179 Angstroms
sigma value = 33


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

Energy: 1.3283280574257712
Energy: 1.3552420214493566
Energy: 1.2812195125609052
Energy: 1.3552420214489043
Energy: 1.3283280574262235
Energy: 1.3552420214457388
Energy: 1.3821145574761065
Energy: 1.2276444699196702
Energy: 1.3821145574801768
Energy: 1.2276444699196702
Energy: 1.3821145574756544
Energy: 1.2276444699255493
Energy: 1.1843141214675181
Energy: 1.221717672377934
Energy: 1.1843141214661612
Energy: 1.221717672377934
Energy: 1.1843141214675181
Energy: 1.2217176723815517
Energy: 1.3920341971880361
Energy: 1.3278913090426383
Energy: 1.3920341971857748
Energy: 1.3278913090421862
Energy: 1.3920341971884882
Energy: 1.3278913090335938
Energy: 1.2628140002284212
Energy: 1.2816310141977483
Energy: 1.2628140002306825
Energy: 1.2816310141977483
Energy: 1.2628140002293258
Energy: 1.2816310141995573
Energy: 1.2457291021955494
Energy: 1.1835510919587624
Energy: 1.245729102196454
Energy: 1.1835510919587624
Energy: 1.2457291021960017
Energy: 1.183551091955597
Energy: 1.3583644357337874
Energy: 1.2816743314890064
Energy: 1.3583644357328828
Energy: 1.2816743314894588
Energy: 1.3583644357342395
Energy: 1.281674331484484
Energy: 1.1531818033454335
Energy: 1.3296458304548338
Energy: 1.1531818033467902
Energy: 1.3296458304539294
Energy: 1.1531818033449812
Energy: 1.3296458304593561
Energy: 1.2190712328132902
Energy: 1.1863312205844383
Energy: 1.2190712328110291
Energy: 1.1863312205844383
Energy: 1.219071232812838
Energy: 1.1863312205907284
Energy: 1.1853602915967927
Energy: 1.3980550929570954
Energy: 1.1853653136114857
Energy: 1.398055092958452
Energy: 1.1853602915972448
Energy: 1.39805509295393
Energy: 1.4178526915634073
Energy: 1.1871233087764554
Energy: 1.4178526915679297
Energy: 1.1871233087764554
Energy: 1.417852691561146
Energy: 1.1871233087746464
Energy: 1.182912663976768
Energy: 1.258529469933378
Energy: 1.1829123667762909
Energy: 1.2585294699342822
Energy: 1.182912663976768
Energy: 1.258529469933378
Energy: 1.2834663637728694
Energy: 1.1927682756812683
Energy: 1.2834663637674424
Energy: 1.192768275680816
Energy: 1.283466363772417
Energy: 1.1927682756817204
Energy: 1.290160819778557
Energy: 1.3640678577642606
Energy: 1.290160819772678
Energy: 1.364067857764713
Energy: 1.2901608197781047
Energy: 1.3640678577714964
Energy: 1.2745941585575482
Energy: 1.2291742546723037
Energy: 1.2745941585561917
Energy: 1.2291742546723037
Energy: 1.2745941585575482
Energy: 1.2291742546628066
Energy: 1.1841737221027338
Energy: 1.2223546871894042
Energy: 1.1841737221068038
Energy: 1.222354687188952
Energy: 1.1841737221022814
Energy: 1.222354687194379
Energy: 1.3983084083950397
Energy: 1.319625188795602
Energy: 1.398308408394135
Energy: 1.319625188795602
Energy: 1.3983084083950397
Energy: 1.3196251887888184
Energy: 1.2607493142689794
Energy: 1.183594395012522
Energy: 1.260749314269884
Energy: 1.183594395012522
Energy: 1.2607493142685273
Energy: 1.1835943950152352
Energy: 1.249333745895429
Energy: 1.2531117874754962
Energy: 1.2493337458927154
Energy: 1.2531117874741395
Energy: 1.2493337458949767
Energy: 1.2531117874705218
Energy: 1.3587702658245395
Energy: 1.284272414873418
Energy: 1.3587702658290621
Energy: 1.284272414873418
Energy: 1.3587702658254441
Energy: 1.2842724148743225
Energy: 1.1514770696978505
Energy: 1.33098032844916
Energy: 1.1514770696973982
Energy: 1.3309803284505166
Energy: 1.1514770696973982
Energy: 1.33098032844916
Energy: 1.2226759930062372
Energy: 1.186590842053816
Energy: 1.2226759930066895
Energy: 1.186590842053816
Energy: 1.2226759930053326
Energy: 1.1865908420511024
Energy: 1.183750435594254
Energy: 1.3984040305025962
Energy: 1.1841868047521575
Energy: 1.3984040305012395
Energy: 1.1837504355951585
Energy: 1.3984040305016918
Energy: 1.410194043041556
Energy: 1.2689455987400584
Energy: 1.410194043041556
Energy: 1.2689455987400584
Energy: 1.4101940430383906
Energy: 1.2689455987364404
Energy: 1.1843704370264354
Energy: 1.2476412598606497
Energy: 1.184379977200649
Energy: 1.2476412598601974
Energy: 1.1843704370264354
Energy: 1.2476412598601974
Energy: 1.3289775930212522
Energy: 1.330299730845969
Energy: 1.2816483172384945
Energy: 1.330299730831045
Energy: 1.3289775930217045
Energy: 1.3302997308324018
Energy: 1.3294196561875609
Energy: 1.3092546155968405
Energy: 1.2817590355400452
Energy: 1.3092546155963882
Energy: 1.3294196561875609
Energy: 1.3092546155896048
Energy: 1.1847724717831547
Energy: 1.227065775029118
Energy: 1.1847724717808936
Energy: 1.2270657750295704
Energy: 1.184772471783607
Energy: 1.2270657750277614
Energy: 1.3975964534727334
Energy: 1.223635128057752
Energy: 1.3975964534736378
Energy: 1.223635128057752
Energy: 1.3975964534727334
Energy: 1.2236351280582043
Energy: 1.1830918435478726
Energy: 1.4083196870611374
Energy: 1.1830918435456113
Energy: 1.4083196870652077
Energy: 1.1830918435478726
Energy: 1.40831968706566
Energy: 1.260431415479805
Energy: 1.1865863750646728
Energy: 1.2604314154802574
Energy: 1.1865863750646728
Energy: 1.2604314154789007
Energy: 1.186586375067386
Energy: 1.1941444694197239
Energy: 1.283219380883297
Energy: 1.1941444694147494
Energy: 1.2832193808828447
Energy: 1.1941444694197239
Energy: 1.2832193808810357
Energy: 1.3581433084064396
Energy: 1.2842985919714311
Energy: 1.3581433084096055
Energy: 1.2842985919709788
Energy: 1.358143308406892
Energy: 1.2842985919709788
Energy: 1.2314234616864899
Energy: 1.2738271335205429
Energy: 1.2314234616828719
Energy: 1.2738271335218998
Energy: 1.2314234616855855
Energy: 1.273827133522804
Energy: 1.222220267194705
Energy: 1.1846082379855356
Energy: 1.2222202671969657
Energy: 1.1846082379855356
Energy: 1.222220267194705
Energy: 1.1846082379936758
Energy: 1.323158631980019
Energy: 1.3917839095668283
Energy: 1.3231586319786623
Energy: 1.3917839095672806
Energy: 1.323158631979567
Energy: 1.3917839095690896
Energy: 1.1845717531896813
Energy: 1.260701622079157
Energy: 1.1844955301577906
Energy: 1.260701622079157
Energy: 1.1845717531901336
Energy: 1.2607016220764435
Energy: 1.2527821407961588
Energy: 1.2483413743024112
Energy: 1.2527821407970632
Energy: 1.2483413743015068
Energy: 1.2527821407961588
Energy: 1.2483413743028635
Energy: 1.2902756787545615
Energy: 1.3652509133644226
Energy: 1.2902756787563294
Energy: 1.3652509133644226
Energy: 1.2902756787541094
Energy: 1.3652509133639703
Energy: 1.3300613605485847
Energy: 1.1547914483709696
Energy: 1.3300613605485847
Energy: 1.154791448371422
Energy: 1.330061360549037
Energy: 1.154791448374135
Energy: 1.1829192792120906
Energy: 1.2166351214132596
Energy: 1.182919279211186
Energy: 1.2166351214137117
Energy: 1.1829192792120906
Energy: 1.2166351214128073

minimum gb energy = 1.1514770696973982 eV
minimum distance =  2.38209905502317 Angstroms
sigma value = 51


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

Energy: 1.277706612576023
Energy: 1.307680301613187
Energy: 1.2777066125770709
Energy: 1.3076803016142347
Energy: 1.277706612576023
Energy: 1.3076803016142347
Energy: 1.383294328464333
Energy: 1.2451923792670347
Energy: 1.383294328464333
Energy: 1.2451923792670347
Energy: 1.383294328464333
Energy: 1.2451923792670347
Energy: 1.2337908032020937
Energy: 1.297083929748839
Energy: 1.2337908032010456
Energy: 1.297083929748839
Energy: 1.2337908032020937
Energy: 1.2970839297477914
Energy: 1.2923092930261422
Energy: 1.1767679143939405
Energy: 1.2923092930271898
Energy: 1.1767679143939405
Energy: 1.2923092930261422
Energy: 1.1767679143939405
Energy: 1.3047864696547997
Energy: 1.2421637345579233
Energy: 1.3047864696558475
Energy: 1.2421637345579233
Energy: 1.3047864696547997
Energy: 1.2421637345579233
Energy: 1.3059189965145879
Energy: 1.241339077276365
Energy: 1.3059189965145879
Energy: 1.241339077276365
Energy: 1.3059189965156357
Energy: 1.241339077276365
Energy: 1.2670838661587787
Energy: 1.2416982461735562
Energy: 1.2670838661587787
Energy: 1.2416982461735562
Energy: 1.2670838661577308
Energy: 1.2416982461735562
Energy: 1.201952487830085
Energy: 1.2426945013228021
Energy: 1.2019524878290369
Energy: 1.24269450132385
Energy: 1.2019524878290369
Energy: 1.24269450132385
Energy: 1.4712544679548432
Energy: 1.1710361257196793
Energy: 1.4712544679537953
Energy: 1.1710361257196793
Energy: 1.4712544679537953
Energy: 1.1710361257196793
Energy: 1.1916520859364328
Energy: 1.4660388325099754
Energy: 1.1916520859364328
Energy: 1.4660388325099754
Energy: 1.191652085935385
Energy: 1.4660388325099754
Energy: 1.3721712760611058
Energy: 1.176948746014239
Energy: 1.3721712760611058
Energy: 1.176948746014239
Energy: 1.3721712760590101
Energy: 1.1769487460152865
Energy: 1.2835906773444195
Energy: 1.3102896521398197
Energy: 1.2835906773444195
Energy: 1.3102896521398197
Energy: 1.2835906773444195
Energy: 1.3102896521398197
Energy: 1.372363746862637
Energy: 1.243093622091721
Energy: 1.372363746862637
Energy: 1.243093622091721
Energy: 1.372363746862637
Energy: 1.2430936220906732
Energy: 1.2334959678661233
Energy: 1.21434556233429
Energy: 1.2334959678661233
Energy: 1.2143455623332422
Energy: 1.2334959678661233
Energy: 1.2143455623332422
Energy: 1.2897577911808626
Energy: 1.295034113994261
Energy: 1.2897577911798623
Energy: 1.295034113994261
Energy: 1.2897577911808626
Energy: 1.295034113994261
Energy: 1.304634277055005
Energy: 1.2412441847231694
Energy: 1.304634277053957
Energy: 1.2412441847231694
Energy: 1.304634277053957
Energy: 1.2412441847242173
Energy: 1.3101064754858618
Energy: 1.3316356126545625
Energy: 1.3101064754869094
Energy: 1.3316356126535147
Energy: 1.3101064754858618
Energy: 1.3316356126535147
Energy: 1.2938771640009639
Energy: 1.247581802951963
Energy: 1.293877163999916
Energy: 1.247581802951963
Energy: 1.293877163999916
Energy: 1.247581802951963

minimum gb energy = 1.1710361257196793 eV
minimum distance =  2.30769991667308 Angstroms
sigma value = 19


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

Energy: 1.0940128726073521
Energy: 1.1227086713188945
Energy: 1.0940128726067306
Energy: 1.122708671318273
Energy: 1.0940128726067306
Energy: 1.122708671318273
Energy: 1.216560618686194
Energy: 1.276523698994174
Energy: 1.2165606186880584
Energy: 1.276523698994174
Energy: 1.216560618686194
Energy: 1.276523698994174
Energy: 1.0568109940635162
Energy: 1.2762365533757627
Energy: 1.0568109940628947
Energy: 1.276236553375141
Energy: 1.0568109940635162
Energy: 1.2762365533782487
Energy: 1.1527252282448337
Energy: 1.0565498993610203
Energy: 1.1527252282442124
Energy: 1.0565498993603986
Energy: 1.1527252282442124
Energy: 1.0565498993610203
Energy: 1.0782484882207382
Energy: 1.0936516594681929
Energy: 1.0782484882201167
Energy: 1.0936516594657066
Energy: 1.0782484882201167
Energy: 1.0936516594657066
Energy: 1.078208164841065
Energy: 1.0937246590006655
Energy: 1.0782081648416866
Energy: 1.093724659001287
Energy: 1.0782081648416866
Energy: 1.0937246590006655
Energy: 1.1528915574991911
Energy: 1.0565129948503371
Energy: 1.1528915574991911
Energy: 1.0565129948503371
Energy: 1.1528915574985696
Energy: 1.0565129948503371
Energy: 1.0569759521141373
Energy: 1.2763590029947474
Energy: 1.0569759521141373
Energy: 1.2763590029953689
Energy: 1.05697595211538
Energy: 1.2763590029953689
Energy: 1.2165468391976764
Energy: 1.2765617856961577
Energy: 1.2165468391989194
Energy: 1.2765617856942932
Energy: 1.2165468392001624
Energy: 1.2765617856955362
Energy: 1.0940128726067306
Energy: 1.122708671318273
Energy: 1.0940128726067306
Energy: 1.122708671318273
Energy: 1.0940128726067306
Energy: 1.122708671318273
Energy: 1.2165606186837077
Energy: 1.2765236989947952
Energy: 1.2165606186855724
Energy: 1.276523698994174
Energy: 1.2165606186886802
Energy: 1.2765236989947952
Energy: 1.0568109940628947
Energy: 1.276236553375141
Energy: 1.0568109940635162
Energy: 1.276236553376384
Energy: 1.0568109940628947
Energy: 1.276236553375141
Energy: 1.1527252282448337
Energy: 1.0565498993610203
Energy: 1.1527252282448337
Energy: 1.0565498993610203
Energy: 1.1527252282442124
Energy: 1.0565498993616416
Energy: 1.0782484882194954
Energy: 1.0936516594669499
Energy: 1.0782484882194954
Energy: 1.0936516594657066
Energy: 1.0782484882213599
Energy: 1.0936516594644639
Energy: 1.0782081648404434
Energy: 1.093724659000044
Energy: 1.078208164841065
Energy: 1.093724659001287
Energy: 1.078208164842308
Energy: 1.093724659001287
Energy: 1.1528915574991911
Energy: 1.0565129948503371
Energy: 1.1528915574985696
Energy: 1.0565129948497154
Energy: 1.1528915574991911
Energy: 1.0565129948509586
Energy: 1.0569759521141373
Energy: 1.2763590029941256
Energy: 1.0569759521147586
Energy: 1.2763590029947474
Energy: 1.0569759521141373
Energy: 1.2763590029928826
Energy: 1.2165468392188084
Energy: 1.2765617856942932
Energy: 1.2165468391964331
Energy: 1.2765617856918068
Energy: 1.2165468392001624
Energy: 1.2765617856961577
Energy: 1.0940128726073521
Energy: 1.1227086713188945
Energy: 1.0940128726067306
Energy: 1.1227086713188945
Energy: 1.0940128726067306
Energy: 1.1227086713188945
Energy: 1.2165606186868154
Energy: 1.2765236989947952
Energy: 1.216560618687437
Energy: 1.2765236989935522
Energy: 1.2165606186868154
Energy: 1.2765236989947952
Energy: 1.0568109940628947
Energy: 1.276236553375141
Energy: 1.0568109940635162
Energy: 1.276236553375141
Energy: 1.056810994064138
Energy: 1.2762365533757627
Energy: 1.1527252282448337
Energy: 1.0565498993610203
Energy: 1.1527252282448337
Energy: 1.0565498993616416
Energy: 1.1527252282442124
Energy: 1.0565498993603986
Energy: 1.0782484882213599
Energy: 1.0936516594681929
Energy: 1.0782484882207382
Energy: 1.0936516594700294
Energy: 1.0782484882219814
Energy: 1.0936516594657066
Energy: 1.0782081648416866
Energy: 1.0937246589994223
Energy: 1.0782081648404434
Energy: 1.0937246590006655
Energy: 1.0782081648404434
Energy: 1.0937246590006655
Energy: 1.1528915574991911
Energy: 1.0565129948503371
Energy: 1.1528915574991911
Energy: 1.0565129948503371
Energy: 1.1528915574991911
Energy: 1.0565129948503371
Energy: 1.0569759521141373
Energy: 1.2763590029953689
Energy: 1.0569759521147586
Energy: 1.2763590029953689
Energy: 1.0569759521147586
Energy: 1.2763590029947474
Energy: 1.2165468391995409
Energy: 1.2765617856936717
Energy: 1.2165468392200516
Energy: 1.2765617856955362
Energy: 1.2165468391933254
Energy: 1.2765617856949147
Energy: 1.0940128726073521
Energy: 1.1227086713188945
Energy: 1.0940128726067306
Energy: 1.122708671318273
Energy: 1.0940128726067306
Energy: 1.122708671318273
Energy: 1.2165606186893019
Energy: 1.276523698994174
Energy: 1.216560618687437
Energy: 1.2765236989935522
Energy: 1.2165606186868154
Energy: 1.2765236989960382
Energy: 1.0568109940622732
Energy: 1.276236553376384
Energy: 1.0568109940622732
Energy: 1.2762365533782487
Energy: 1.056810994064138
Energy: 1.276236553376384

minimum gb energy = 1.0565129948497154 eV
minimum distance =  2.31927174748284 Angstroms
sigma value = 27


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

Energy: 1.0523708889400047
Energy: 1.0315014898177381
Energy: 1.0523708889400047
Energy: 1.0315014898177381
Energy: 1.0523708889400047
Energy: 1.0315014898177381
Energy: 1.2655708051432002
Energy: 1.0739938982178794
Energy: 1.2655708051447228
Energy: 1.0739938982163568
Energy: 1.2655708051432002
Energy: 1.0739938982178794
Energy: 1.0073684828344125
Energy: 1.168253433510397
Energy: 1.1575104045818645
Energy: 1.1682534335164867
Energy: 1.082525968474759
Energy: 1.1682534335027845
Energy: 1.1729002660381367
Energy: 1.0106232806393172
Energy: 1.1729002660381367
Energy: 1.01062328064084
Energy: 1.1729002660320467
Energy: 1.0106232806393172
Energy: 1.247890711172619
Energy: 1.0047100452944326
Energy: 1.247890711172619
Energy: 1.0047100452944326
Energy: 1.2478907111710964
Energy: 1.0047100452929099
Energy: 1.1975661134788171
Energy: 1.2319038316206283
Energy: 1.1975661134772948
Energy: 1.2319038316206283
Energy: 1.1975661134772948
Energy: 1.2319038316206283
Energy: 1.0832829885204749
Energy: 1.0761341220995873
Energy: 1.0832829885204749
Energy: 1.0761341220995873
Energy: 1.0010805788149124
Energy: 1.0761341220995873
Energy: 1.0515660074912645
Energy: 1.034273067674585
Energy: 1.0515660074912645
Energy: 1.034273067674585
Energy: 1.0515660074912645
Energy: 1.034273067674585
Energy: 1.1293236729599683
Energy: 1.0830844121784897
Energy: 1.1293236729599683
Energy: 1.0830844121769674
Energy: 1.1293236729599683
Energy: 1.0830844121784897
Energy: 1.1709355922119398
Energy: 1.196047119910061
Energy: 1.1709355922119398
Energy: 1.196047119910061
Energy: 1.1709355922119398
Energy: 1.196047119910061
Energy: 1.091979899108188
Energy: 1.0007234267937486
Energy: 1.091979899108188
Energy: 1.0007234267937486
Energy: 1.2095447863270783
Energy: 1.0007234267937486
Energy: 1.2458171881664761
Energy: 1.1294493768786609
Energy: 1.2458171881664761
Energy: 1.1294493768801832
Energy: 1.2458171881664761
Energy: 1.1294493768786609

minimum gb energy = 1.0007234267937486 eV
minimum distance =  2.29705860241219 Angstroms
sigma value = 9


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

Energy: 1.0221828578819978
Energy: 1.0168256981707025
Energy: 1.0221828578819978
Energy: 1.0168256981711303
Energy: 1.0221828578819978
Energy: 1.0168256981702748
Energy: 1.0369908944533412
Energy: 0.9523922632869098
Energy: 1.0369908944520578
Energy: 1.0569790976246334
Energy: 1.0369908944512023
Energy: 0.984621521268487
Energy: 0.931788160062621
Energy: 1.0360879302167494
Energy: 0.9317881600634765
Energy: 1.0360879302150385
Energy: 0.9317881600634765
Energy: 1.0360879302265884
Energy: 0.9447500385184656
Energy: 0.9124081270421839
Energy: 0.9447500385184656
Energy: 0.9124081270426118
Energy: 0.9447500385176101
Energy: 0.912408127044323
Energy: 1.0369464866284144
Energy: 0.9783088780307746
Energy: 1.036946486630553
Energy: 0.9783088780333412
Energy: 1.0369464866288418
Energy: 0.9783088780333412
Energy: 1.0112798005837398
Energy: 1.0022722219059097
Energy: 1.0112798005824566
Energy: 1.0022722219059097
Energy: 1.0112798005837398
Energy: 1.0022722219059097
Energy: 0.9517893734780383
Energy: 1.0298477059856976
Energy: 0.9517893734793216
Energy: 1.0298477059886924
Energy: 0.9517893734784659
Energy: 1.0298477059861255
Energy: 0.8831109411920097
Energy: 1.116946132440822
Energy: 0.8831109411932929
Energy: 1.1169461324412497
Energy: 0.8831109411932929
Energy: 1.1169461324412497
Energy: 0.9706733793267205
Energy: 0.9788820612904084
Energy: 0.9706733793237261
Energy: 0.9788820612916918
Energy: 0.9706733793258651
Energy: 0.978882061285703
Energy: 1.0504378249676458
Energy: 0.9811513512534678
Energy: 1.0504378249680737
Energy: 0.9811513512538955
Energy: 1.0504378249667903
Energy: 0.9811513512470511
Energy: 0.9445027447938821
Energy: 0.9045611384614335
Energy: 0.944502744796021
Energy: 0.9045611384614335
Energy: 0.9445027447938821
Energy: 0.9045611384614335
Energy: 0.9729872507227929
Energy: 1.0249018032767983
Energy: 0.9729872507223651
Energy: 1.0249018032797927
Energy: 0.9729872507227929
Energy: 1.0249018032797927
Energy: 0.9786079728941047
Energy: 1.0018117939793179
Energy: 0.978607972895388
Energy: 1.0018117939801734
Energy: 0.9786079728945325
Energy: 1.001811793980601
Energy: 1.022790072473028
Energy: 1.0169040132463902
Energy: 1.0227900724683223
Energy: 1.016904013246818
Energy: 1.0227900724674668
Energy: 1.0169040132476737
Energy: 0.9231848360625554
Energy: 1.0415231226419013
Energy: 0.9231848360629832
Energy: 1.0415231226393347
Energy: 0.9231848360616998
Energy: 1.0415231226397623
Energy: 0.940291053733322
Energy: 1.0150527332928556
Energy: 0.9402910537324665
Energy: 1.015052733292428
Energy: 0.9402910537324665
Energy: 1.015052733292428
Energy: 1.1910492921106728
Energy: 0.9025979319741299
Energy: 1.1910492921093894
Energy: 0.9025979319749854
Energy: 1.1910492921102451
Energy: 0.9025979319741299
Energy: 0.9377629824531108
Energy: 0.9779652823045861
Energy: 0.9377629824531108
Energy: 0.9779652823045861
Energy: 0.937762982450972
Energy: 0.9779652823045861
Energy: 0.8888265063431147
Energy: 1.2144245384683214
Energy: 0.8888265063431147
Energy: 1.214424538457627
Energy: 0.8888265063439702
Energy: 1.214424538471316
Energy: 1.3546652171333011
Energy: 1.0263346306699168
Energy: 1.3546652171333011
Energy: 1.0263346306703447
Energy: 1.3546652171307345
Energy: 0.9060294672038056
Energy: 0.8890183547067887
Energy: 1.2149674009129057
Energy: 0.8890183547055054
Energy: 1.2149674009159
Energy: 0.8890183547055054
Energy: 1.2149674009137612
Energy: 0.9378074801468367
Energy: 0.9781942578922626
Energy: 0.93780748014812
Energy: 0.9781942578918348
Energy: 0.93780748014812
Energy: 0.9781942578922626
Energy: 1.1908134085636743
Energy: 0.9025603665375482
Energy: 1.1908134085632467
Energy: 0.9025603665349818
Energy: 1.1908134085632467
Energy: 0.9025603665388316
Energy: 0.9400350594073232
Energy: 0.9526193416363457
Energy: 0.9400350594060399
Energy: 0.9526193416367733
Energy: 0.9400350594064676
Energy: 0.9526193416372012
Energy: 0.9229635042348193
Energy: 1.0415788297756061
Energy: 0.9229635042352471
Energy: 1.0415788297760336
Energy: 0.9229635042343916
Energy: 1.0415788297756061
Energy: 1.0225148342358956
Energy: 1.0181292771484365
Energy: 1.022514834235468
Energy: 1.01812927714972
Energy: 1.02251483423504
Energy: 1.018129277147153
Energy: 0.9785685776456248
Energy: 1.0017253434721212
Energy: 0.9785685776456248
Energy: 1.0017253434721212
Energy: 0.9785685776456248
Energy: 1.001725343472549
Energy: 0.9726481491690131
Energy: 0.92331213749883
Energy: 0.9726481491685853
Energy: 0.9233121374984022
Energy: 0.9726481491698685
Energy: 0.92331213749883
Energy: 0.944515294701973
Energy: 0.9045326761345112
Energy: 0.9445152947036842
Energy: 0.9045326761345112
Energy: 0.9445152947024008
Energy: 0.9045326761345112
Energy: 1.0506124484967574
Energy: 0.8750411661029789
Energy: 1.0506124484959016
Energy: 0.8750411661038345
Energy: 1.050612448497185
Energy: 0.8750411661029789
Energy: 0.9712051169926181
Energy: 0.9782785198697941
Energy: 0.9712051169956125
Energy: 0.9782785198693663
Energy: 0.971205117000318
Energy: 0.9782785198672274
Energy: 0.8828295883919172
Energy: 1.1168280608278205
Energy: 0.8828295883923449
Energy: 1.1168280608278205
Energy: 0.8828295883927727
Energy: 1.1168280608282481
Energy: 0.9519148673196297
Energy: 1.0295961973591419
Energy: 0.9519148673179185
Energy: 1.029596197314226
Energy: 0.9519148673196297
Energy: 1.0295961973351868
Energy: 1.0110096460654552
Energy: 0.9386412716144965
Energy: 1.0110096460645996
Energy: 0.9386412716307518
Energy: 1.0110096460645996
Energy: 0.9386412716358852
Energy: 1.0370040720127092
Energy: 0.9783797409564758
Energy: 1.037004072013137
Energy: 0.9783797409560482
Energy: 1.037004072013137
Energy: 0.978379740958187
Energy: 0.9444320713047402
Energy: 0.9120964153897142
Energy: 0.9444320713043124
Energy: 0.9120964153897142
Energy: 0.9444320713034569
Energy: 0.9120964153897142
Energy: 0.9316852612337859
Energy: 1.0357352414209535
Energy: 0.9316852612350692
Energy: 1.0357352413829206
Energy: 0.9316852612337859
Energy: 1.0357352413491268
Energy: 1.0364597243184983
Energy: 0.9862194840458001
Energy: 1.0364597243069482
Energy: 0.9862194840453722
Energy: 1.0364597243001037
Energy: 0.9862194840449444
Energy: 1.0221828578807144
Energy: 1.0168256981711303
Energy: 1.0221828578819978
Energy: 1.0168256981719859
Energy: 1.0221828578819978
Energy: 1.0168256981711303
Energy: 1.0369908944494912
Energy: 0.9135620761203832
Energy: 1.0369908944533412
Energy: 0.9135620761208108
Energy: 1.036990894450347
Energy: 0.9135620761212385
Energy: 0.9317881600613765
Energy: 1.0360879302304382
Energy: 0.9317881600618043
Energy: 1.0360879302180328
Energy: 0.9317881600613765
Energy: 1.036087930219744
Energy: 0.94475003851971
Energy: 0.9124081270426118
Energy: 0.9447500385205656
Energy: 0.9124081270426118
Energy: 0.9447500385201378
Energy: 0.9124081270417562
Energy: 1.036946486624992
Energy: 0.9783088780363355
Energy: 1.0369464866262752
Energy: 0.9783088780389021
Energy: 1.0369464866241365
Energy: 0.9783088780380467

minimum gb energy = 0.8750411661029789 eV
minimum distance =  2.35927684404139 Angstroms
sigma value = 57


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

Energy: 0.4107230919352809
Energy: 0.4223782299097101
Energy: 0.4107230919352809
Energy: 0.4223782299097101
Energy: 0.4107230919362547
Energy: 0.4223782299097101
Energy: 0.5512644604779063
Energy: 0.5951022494407355
Energy: 0.5512644604779063
Energy: 0.5951022494417093
Energy: 0.5512644604779063
Energy: 0.5951022494407355
Energy: 0.4719403038417255
Energy: 0.5320560390687218
Energy: 0.4719403038475681
Energy: 0.5320560390677481
Energy: 0.4719403038407517
Energy: 0.5320560390658006
Energy: 0.42529026591389313
Energy: 0.4100269698363328
Energy: 0.42529026591389313
Energy: 0.4100269698363328
Energy: 0.42529026591389313
Energy: 0.4100269698363328
Energy: 0.5513869483416446
Energy: 0.5532111787571995
Energy: 0.5513869483416446
Energy: 0.5532111787562257
Energy: 0.5513869483435923
Energy: 0.5532111787571995
Energy: 0.4106671274849949
Energy: 0.47162984238945166
Energy: 0.4106671274849949
Energy: 0.47162984238945166
Energy: 0.4106671274849949
Energy: 0.47162984238945166
Energy: 0.4106607201184885
Energy: 0.4717393215681489
Energy: 0.4106607201184885
Energy: 0.4717393215681489
Energy: 0.4106607201175147
Energy: 0.47173932156717513
Energy: 0.5514610949320654
Energy: 0.5532297298942959
Energy: 0.5514610949349866
Energy: 0.5532297298942959
Energy: 0.5514610949340129
Energy: 0.5532297298952696
Energy: 0.42529008800241885
Energy: 0.4100452468977282
Energy: 0.42529008800241885
Energy: 0.4100452468967545
Energy: 0.42529008800241885
Energy: 0.4100452468967545
Energy: 0.4720139501920728
Energy: 0.5321274786564781
Energy: 0.4720139501881777
Energy: 0.5321274786584257
Energy: 0.4720139501872039
Energy: 0.5321274786545306
Energy: 0.5516852347842615
Energy: 0.5951521967809205
Energy: 0.5516852347842615
Energy: 0.5951521967799467
Energy: 0.5516852347832878
Energy: 0.5951521967809205
Energy: 0.4107230919362547
Energy: 0.4223782299097101
Energy: 0.4107230919352809
Energy: 0.4223782299097101
Energy: 0.4107230919352809
Energy: 0.4223782299097101
Energy: 0.5512644604798539
Energy: 0.5951022494407355
Energy: 0.5512644604798539
Energy: 0.5951022494407355
Energy: 0.5512644604788801
Energy: 0.5951022494417093
Energy: 0.4719403038495156
Energy: 0.5320560390677481
Energy: 0.4719403038417255
Energy: 0.5320560390667743
Energy: 0.4719403038417255
Energy: 0.5320560390677481
Energy: 0.4252902659129193
Energy: 0.4100269698363328
Energy: 0.4252902659129193
Energy: 0.4100269698353591
Energy: 0.4252902659129193
Energy: 0.4100269698363328
Energy: 0.5513869483484609
Energy: 0.5532111787562257
Energy: 0.5513869483474871
Energy: 0.5532111787562257
Energy: 0.5513869483455396
Energy: 0.5532111787562257
Energy: 0.4106671274849949
Energy: 0.47162984238945166
Energy: 0.4106671274849949
Energy: 0.47162984238945166
Energy: 0.4106671274849949
Energy: 0.47162984238945166
Energy: 0.4106607201194622
Energy: 0.4717393215681489
Energy: 0.4106607201184885
Energy: 0.4717393215681489
Energy: 0.4106607201175147
Energy: 0.4717393215691227
Energy: 0.5514610949320654
Energy: 0.5532297298952696
Energy: 0.5514610949310916
Energy: 0.5532297298942959
Energy: 0.5514610949281703
Energy: 0.5532297298942959

minimum gb energy = 0.4100269698353591 eV
minimum distance =  2.42216014416034 Angstroms
sigma value = 11


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

Energy: 0.8796504269582486
Energy: 0.9691862684521467
Energy: 0.8796504269589619
Energy: 0.9691862684521467
Energy: 0.8796504269596753
Energy: 0.9691862684521467
Energy: 1.0306210001206784
Energy: 0.9370125565373814
Energy: 1.0306210001221048
Energy: 0.9370125565373814
Energy: 1.0306210001228182
Energy: 0.9370125565373814
Energy: 1.0724917247203192
Energy: 1.3449328967879333
Energy: 1.0724917247210326
Energy: 1.3449328967886467
Energy: 1.072491724719606
Energy: 1.3449328967886467
Energy: 1.0851981504949364
Energy: 0.7975439910655707
Energy: 1.0851981504963628
Energy: 0.7975439910648574
Energy: 1.0851981504970762
Energy: 0.7975439910648574
Energy: 0.9330211444380965
Energy: 0.7574372701770504
Energy: 0.9330211444409497
Energy: 0.7574372701756237
Energy: 0.9330211444388098
Energy: 0.7574372701763371
Energy: 0.9121560053961048
Energy: 1.0293437060179806
Energy: 0.9121560053996715
Energy: 1.0293437060179806
Energy: 0.9121560053989579
Energy: 1.0293437060179806
Energy: 0.7571567715467182
Energy: 1.1003603540740503
Energy: 0.7571567715452917
Energy: 1.100360354075477
Energy: 0.7571567715445783
Energy: 1.1003603540740503
Energy: 0.9796888400912963
Energy: 0.7240459605533923
Energy: 0.9796888400891565
Energy: 0.724045960552679
Energy: 0.9796888400898696
Energy: 0.7240459605533923
Energy: 0.9679089821328029
Energy: 0.7281426223839392
Energy: 0.9679089821306631
Energy: 0.7281426223825126
Energy: 0.9679089821328029
Energy: 0.7281426223817994
Energy: 0.739711682652616
Energy: 1.167399946677402
Energy: 0.739711682654756
Energy: 1.1673999466781158
Energy: 0.7397116826519028
Energy: 1.167399946676689
Energy: 1.1620279990405042
Energy: 1.1657009523818707
Energy: 1.1620279990390778
Energy: 1.1657009523818707
Energy: 1.162027999037651
Energy: 1.1657009523818707
Energy: 0.937854052952395
Energy: 0.7580231111434769
Energy: 0.937854052952395
Energy: 0.7580231111441902
Energy: 0.9378540529538217
Energy: 0.7580231111434769
Energy: 0.9992694915400161
Energy: 0.8026210811941024
Energy: 0.9992694915421558
Energy: 0.8026210811948157
Energy: 0.9992694915421558
Energy: 0.8026210811941024
Energy: 1.028984698998101
Energy: 1.319971278222601
Energy: 1.0289846989988143
Energy: 1.319971278222601
Energy: 1.028984698995961
Energy: 1.3199712782218875
Energy: 1.245910365123967
Energy: 0.938733936830221
Energy: 1.245910365123967
Energy: 0.938733936830221
Energy: 1.245910365123967
Energy: 0.9387339368309344
Energy: 0.8370324049083674
Energy: 0.9682316305918819
Energy: 0.8370324049076542
Energy: 0.9682316305918819
Energy: 0.8370324049133605
Energy: 0.9682316305911686
Energy: 0.8584029031247679
Energy: 0.9365375580362512
Energy: 0.8584029031240547
Energy: 0.9365375580362512
Energy: 0.8584029031240547
Energy: 0.9365375580369644
Energy: 1.1973124308702399
Energy: 1.18319142819476
Energy: 1.197312430870953
Energy: 1.1831914281961866
Energy: 1.1973124308695267
Energy: 1.1831914281961866
Energy: 1.1510533300644579
Energy: 0.7946612697492603
Energy: 1.1510533300644579
Energy: 0.7946612697478338
Energy: 1.1510533300651713
Energy: 0.7946612697492603
Energy: 0.9388797858804776
Energy: 0.8738861501305663
Energy: 0.9388797858811908
Energy: 0.8738861501305663
Energy: 0.9388797858826176
Energy: 0.8738861501312796
Energy: 0.7395870459991846
Energy: 1.0308766792699466
Energy: 0.7395870459977578
Energy: 1.0308766792706598
Energy: 0.7395870460020377
Energy: 1.0308766792699466
Energy: 1.0012454778779403
Energy: 1.1061571559588255
Energy: 1.001245477872947
Energy: 1.1061571559588255
Energy: 1.001245477875087
Energy: 1.1061571559595385
Energy: 0.9803186559073355
Energy: 0.8867219604237414
Energy: 0.9803186559073355
Energy: 0.8867219604237414
Energy: 0.9803186559051955
Energy: 0.8867219604237414
Energy: 0.9669857268313715
Energy: 0.8399681186823016
Energy: 0.966985726834938
Energy: 0.8399681186823016
Energy: 0.9669857268327982
Energy: 0.8399681186830149
Energy: 0.7393833723484787
Energy: 1.164094001537529
Energy: 0.7393833723484787
Energy: 1.164094001537529
Energy: 0.7393833723491919
Energy: 1.164094001537529
Energy: 1.374445435840187
Energy: 1.1709015962037657
Energy: 1.374445435840187
Energy: 1.1709015962044789
Energy: 1.374445435840187
Energy: 1.1709015962037657

minimum gb energy = 0.724045960552679 eV
minimum distance =  2.348619638855 Angstroms
sigma value = 41


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

Energy: 0.9961948294849486
Energy: 0.8324859790636255
Energy: 0.9961948294849486
Energy: 0.8324859790636255
Energy: 0.9961948294849486
Energy: 0.8324859790630633
Energy: 1.0796454389604742
Energy: 1.101337469916369
Energy: 1.0796454389610364
Energy: 1.1013374699169312
Energy: 1.0796454389610364
Energy: 1.1013374699169312
Energy: 1.2971872968254463
Energy: 1.5343861393642224
Energy: 1.2971872968215108
Energy: 1.5343861393647846
Energy: 1.2971872968248843
Energy: 1.5343861393636602
Energy: 0.9702039659063441
Energy: 0.8274734069081272
Energy: 0.9702039659063441
Energy: 0.8274734069086894
Energy: 0.9702039659057818
Energy: 0.8274734069086894
Energy: 0.812944851090263
Energy: 0.8784198902702663
Energy: 0.8129448510908251
Energy: 0.8784198902708286
Energy: 0.8129448510897007
Energy: 0.8784198902708286
Energy: 1.054050931229459
Energy: 1.2604496683930164
Energy: 1.0540509312283346
Energy: 1.2604496683930164
Energy: 1.0540509312283346
Energy: 1.2604496683930164
Energy: 0.8430082472081777
Energy: 1.197022547622269
Energy: 0.8430082472076155
Energy: 1.197022547622269
Energy: 0.8430082472081777
Energy: 1.197022547622831
Energy: 0.8330774070154532
Energy: 0.8275583203597133
Energy: 0.833077407014891
Energy: 0.8275583203602755
Energy: 0.833077407014891
Energy: 0.8275583203602755
Energy: 0.8216941217818116
Energy: 0.8462130523810798
Energy: 0.8216941217818116
Energy: 0.8462130523805176
Energy: 0.8216941217818116
Energy: 0.8462130523810798
Energy: 0.9139267897279948
Energy: 1.314093004363695
Energy: 0.9139267897291193
Energy: 1.3140930043653816
Energy: 0.913926789728557
Energy: 1.3140930043642574
Energy: 0.9073427964320002
Energy: 1.2689573922152177
Energy: 0.9073427964308759
Energy: 1.2689573922152177
Energy: 0.907342796431438
Energy: 1.2689573922146558
Energy: 0.8064475070847735
Energy: 0.9900614132635647
Energy: 0.806447507085898
Energy: 0.9900614132635647
Energy: 0.8064475070847735
Energy: 0.9900614132635647
Energy: 0.8257362012520746
Energy: 0.8384807944004947
Energy: 0.8257362012548857
Energy: 0.8384807944004947
Energy: 0.8257362012548857
Energy: 0.8384807944004947
Energy: 0.7849391951740818
Energy: 1.1802871994425768
Energy: 0.7849391951746442
Energy: 1.1802871994420143
Energy: 0.7849391951740818
Energy: 1.1802871994425768
Energy: 1.0553013853728077
Energy: 1.2608729676278063
Energy: 1.0553013853739321
Energy: 1.2608729676278063
Energy: 1.0553013853728077
Energy: 1.2608729676283683
Energy: 0.784165916252166
Energy: 1.0072488551714884
Energy: 0.7841659162527284
Energy: 1.0072488551714884
Energy: 0.7841659162532906
Energy: 1.0072488551709264
Energy: 0.8444617198091354
Energy: 0.8387618724589928
Energy: 0.844461719799578
Energy: 0.8387618724589928
Energy: 0.8444617198012647
Energy: 0.8387618724589928
Energy: 1.0369143530522218
Energy: 1.5369385178657458
Energy: 1.0369143530522218
Energy: 1.5369385178657458
Energy: 1.0369143530516598
Energy: 1.5369385178657458
Energy: 1.1154598133181228
Energy: 1.0988942690387573
Energy: 1.1154598133192473
Energy: 1.098894269038195
Energy: 1.1154598133192473
Energy: 1.098894269038195
Energy: 0.9044240533433466
Energy: 1.044738934233219
Energy: 0.9044240533472822
Energy: 1.1535686123762272
Energy: 0.9044240533433466
Energy: 1.017933228198058
Energy: 0.8199717862036973
Energy: 1.1003266215457093
Energy: 0.8199717862042595
Energy: 1.1003266215451473
Energy: 0.819971786203135
Energy: 1.1003266215451473
Energy: 1.2955408621081836
Energy: 1.3854718559476535
Energy: 1.2955408621087456
Energy: 1.3854718559476535
Energy: 1.2955408621087456
Energy: 1.385471855948778
Energy: 0.9704661332328153
Energy: 0.822958148104077
Energy: 0.9704661332345019
Energy: 0.8229581481046392
Energy: 0.9704661332328153
Energy: 0.822958148104077
Energy: 0.7844556691792608
Energy: 1.1285722550808606
Energy: 0.784455669179823
Energy: 1.217439566196954
Energy: 0.7844556691792608
Energy: 0.9102818811101758
Energy: 0.7896065365725593
Energy: 1.1862435846850676
Energy: 0.7896065365731215
Energy: 1.1862435846845054
Energy: 0.7896065365731215
Energy: 1.1862435846845054
Energy: 0.8440212043199571
Energy: 0.8433996678195848
Energy: 0.8440212043199571
Energy: 0.8433996678190225
Energy: 0.8440212043193949
Energy: 0.8433996678195848
Energy: 0.8276694588057918
Energy: 0.8231062802149928
Energy: 0.8276694588057918
Energy: 0.8231062802149928
Energy: 0.827669458806354
Energy: 0.8231062802149928
Energy: 0.8185123841368797
Energy: 1.0674430274376463
Energy: 0.8185123841385662
Energy: 1.0293489100567876
Energy: 0.8185123841380041
Energy: 0.948529888957673
Energy: 0.9051793062283752
Energy: 1.1130881557478602
Energy: 0.9051793062300618
Energy: 1.1130881557484225
Energy: 0.9051793062272506
Energy: 1.1130881557484225
Energy: 1.2421119833590955
Energy: 0.7857216659774355
Energy: 1.2421119833585332
Energy: 0.7857216659779978
Energy: 1.242111983359658
Energy: 0.7857216659791221
Energy: 0.8067965628281359
Energy: 0.9906995163581134
Energy: 0.8067965628281359
Energy: 0.9906995163581134
Energy: 0.8067965628281359
Energy: 0.9906995163581134
Energy: 0.8417873491539346
Energy: 0.8434680119062533
Energy: 0.8417873491528102
Energy: 0.8434680119056911
Energy: 0.8417873491533724
Energy: 0.8434680119056911
Energy: 0.788786210499676
Energy: 1.009124867870751
Energy: 0.7887862104985516
Energy: 1.0091248678701887
Energy: 0.788786210499676
Energy: 1.0091248678662532

minimum gb energy = 0.784165916252166 eV
minimum distance =  2.36940914286429 Angstroms
sigma value = 33


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

Energy: 0.9415400514314488
Energy: 0.8845164390589778
Energy: 0.9415400514322378
Energy: 0.8845164390585474
Energy: 0.9415400514338162
Energy: 0.8845164390589778
Energy: 0.9892729046739083
Energy: 0.8626906956360384
Energy: 0.9892729046731191
Energy: 0.8626906956360384
Energy: 0.9892729046746974
Energy: 0.8626906956356795
Energy: 0.927576056192034
Energy: 1.3799054358085605
Energy: 0.9275760561932536
Energy: 1.3799054358074128
Energy: 0.927576056192034
Energy: 1.3799054358082017
Energy: 0.922138504766766
Energy: 0.8634096695130603
Energy: 0.9221385047659768
Energy: 0.8634096695122712
Energy: 0.9221385047655464
Energy: 0.86340966951263
Energy: 0.8828572065878343
Energy: 0.8596505096052018
Energy: 0.8828572065866147
Energy: 0.8596505096052018
Energy: 0.8828572065878343
Energy: 0.8596505096039823
Energy: 1.2163423192229756
Energy: 0.886974042399738
Energy: 1.216342319223765
Energy: 0.8869740423993793
Energy: 1.2163423192221865
Energy: 0.8869740423993793
Energy: 0.9116601193375538
Energy: 0.9998774280589757
Energy: 0.9116601193359756
Energy: 0.9998774280593343
Energy: 0.9116601193367647
Energy: 0.9998774280617015
Energy: 0.9524397978007471
Energy: 0.9755264722485681
Energy: 0.9524397978011775
Energy: 0.9755264722477789
Energy: 0.9524397978007471
Energy: 0.9755264722465593
Energy: 0.9140355977500388
Energy: 0.8967829729297574
Energy: 0.9140355977524063
Energy: 0.8967829729289681
Energy: 0.9140355977512584
Energy: 0.8967829729289681
Energy: 1.2577371177804697
Energy: 0.8985248666374717
Energy: 1.2577371177808283
Energy: 0.8985248666371128
Energy: 1.2577371177792502
Energy: 0.8985248666371128
Energy: 0.9434918987801617
Energy: 0.9431286041538729
Energy: 0.9434918987774356
Energy: 0.9431286041554512
Energy: 0.943491898776216
Energy: 0.9431286041550925
Energy: 1.4389392637731526
Energy: 0.8634970631835472
Energy: 1.4389392637731526
Energy: 0.8634970631835472
Energy: 1.4389392637731526
Energy: 0.8634970631831169
Energy: 0.8998302687980625
Energy: 0.9137919742864518
Energy: 0.8998302688004299
Energy: 0.9137919742872409
Energy: 0.8998302687984212
Energy: 0.9137919742840843
Energy: 0.9922023115325622
Energy: 0.9471846433256252
Energy: 0.9922023115309839
Energy: 0.9471846433251947
Energy: 0.9922023115297643
Energy: 0.9471846433259838
Energy: 0.9800776762556921
Energy: 0.9112515018394004
Energy: 0.9800776762561223
Energy: 0.9112515018390417
Energy: 0.9800776762569116
Energy: 0.9112515018401895
Energy: 0.890083150461545
Energy: 1.2184164723417659
Energy: 0.8900831504603972
Energy: 1.2184164723417659
Energy: 0.8900831504623341
Energy: 1.2184164723425552
Energy: 0.8609684130631724
Energy: 0.8795481735769658
Energy: 0.8609684130627419
Energy: 0.8795481735773245
Energy: 0.8609684130587961
Energy: 0.8795481735769658
Energy: 0.8594015222205406
Energy: 0.9279232223928228
Energy: 0.8594015222205406
Energy: 0.9279232223936119
Energy: 0.8594015222197515
Energy: 0.9279232223931815
Energy: 1.0399990577434826
Energy: 0.9258563283357247
Energy: 1.0399990577414737
Energy: 0.9258563283357247
Energy: 1.039999057740326
Energy: 0.9258563283357247
Energy: 1.1550408184704561
Energy: 0.9002162751180506
Energy: 1.1550408184708147
Energy: 0.9002162751164723
Energy: 1.1550408184700256
Energy: 0.9002162751169027
Energy: 0.8782767984367841
Energy: 0.9431546657226381
Energy: 0.8782767984383624
Energy: 0.9431546657226381
Energy: 0.8782767984363538
Energy: 0.9431546657229969
Energy: 0.8590184157221754
Energy: 0.9921763808456543
Energy: 0.8590184157229646
Energy: 0.9921763808445065
Energy: 0.8590184157229646
Energy: 0.9921763808452956
Energy: 0.9810742040487113
Energy: 1.1670225367364955
Energy: 0.9810742040479221
Energy: 1.1670225367372846
Energy: 0.981074204047133
Energy: 1.1670225367364955
Energy: 0.8691737813553403
Energy: 0.9225532092572867
Energy: 0.8691737813569187
Energy: 0.9225532092577172
Energy: 0.8691737813565599
Energy: 0.922553209258865
Energy: 0.8594263343702702
Energy: 0.8793117796237643
Energy: 0.8594263343702702
Energy: 0.8793117796237643
Energy: 0.8594263343722789
Energy: 0.8793117796237643
Energy: 0.8863558599722534
Energy: 1.2123356977523774
Energy: 0.8863558599711057
Energy: 1.2123356977512294
Energy: 0.8863558599698862
Energy: 1.212335697751588
Energy: 0.9871951348323277
Energy: 0.9137325781813652
Energy: 0.9871951348296016
Energy: 0.9137325781829436
Energy: 0.9871951348296016
Energy: 0.913732578181724
Energy: 0.9369505577586758
Energy: 0.8686443392154536
Energy: 0.9369505577578867
Energy: 0.8686443392162427
Energy: 0.9369505577578867
Energy: 0.8686443392166013
Energy: 0.897906638761796
Energy: 0.9131064345819186
Energy: 0.8979066387625851
Energy: 0.9131064345775427
Energy: 0.8979066387629437
Energy: 0.9131064345811295
Energy: 0.8985704421359076
Energy: 1.254264550347246
Energy: 0.8985704421374859
Energy: 1.254264550347246
Energy: 0.898570442137127
Energy: 1.254264550347246
Energy: 0.923423426613584
Energy: 0.8579298163892112
Energy: 0.9234234266151624
Energy: 0.8579298163900002
Energy: 0.9234234266143732
Energy: 0.8579298163892112
Energy: 0.8694079647884883
Energy: 1.4352510645996035
Energy: 0.8694079647884883
Energy: 1.4352510645996035
Energy: 0.8694079647880578
Energy: 1.435251064599245
Energy: 1.1556036300569532
Energy: 0.8973603215028948
Energy: 1.1556036300557335
Energy: 0.8973603215024645
Energy: 1.1556036300537964
Energy: 0.8973603215021057
Energy: 0.9432349827056348
Energy: 0.9853093196207318
Energy: 0.9432349827064239
Energy: 0.9853093196191536
Energy: 0.9432349827064239
Energy: 0.9853093196187949
Energy: 0.9438158939538344
Energy: 0.9851643364991499
Energy: 0.9438158939546234
Energy: 0.9851643364991499
Energy: 0.9438158939534756
Energy: 0.9851643364991499
Energy: 1.155665157547753
Energy: 0.8974206714812388
Energy: 1.155665157547753
Energy: 0.8974206714816694
Energy: 1.1556651575466053
Energy: 0.8974206714812388
Energy: 0.8697416965501009
Energy: 1.4352287313115992
Energy: 0.8697416965489531
Energy: 1.4352287313115992
Energy: 0.8697416965489531
Energy: 1.43522873131081
Energy: 0.9234628571368003
Energy: 0.8579686711941398
Energy: 0.923462857137159
Energy: 0.8579686711941398
Energy: 0.9234628571368003
Energy: 0.8579686711941398
Energy: 0.8986920694923284
Energy: 1.2543266823551071
Energy: 0.8986920694915392
Energy: 1.2543266823551071
Energy: 0.898692069491898
Energy: 1.254326682357116
Energy: 0.8980529387425044
Energy: 0.9132561343621286
Energy: 0.8980529387429349
Energy: 0.9132561343648548
Energy: 0.8980529387425044
Energy: 0.9132561343632764
Energy: 0.9360389738428554
Energy: 0.8691202154027973
Energy: 0.9360389738412772
Energy: 0.8691202154023668
Energy: 0.9360389738428554
Energy: 0.8691202154031561
Energy: 0.9872023212656829
Energy: 0.9139783281318838
Energy: 0.9872023212641046
Energy: 0.9139783281323142
Energy: 0.9872023212644633
Energy: 0.9139783281323142
Energy: 0.8864050692856653
Energy: 1.2130030890563168
Energy: 0.8864050692840871
Energy: 1.2130030890563168
Energy: 0.8864050692845176
Energy: 1.213003089057106
Energy: 0.8591892093972613
Energy: 0.8792938201187278
Energy: 0.8591892093898006
Energy: 0.8792938201191581
Energy: 0.8591892093984809
Energy: 0.8792938201187278
Energy: 0.8694602524246543
Energy: 0.9225400040407601
Energy: 0.8694602524246543
Energy: 0.9225400040383926
Energy: 0.8694602524246543
Energy: 0.9225400040387514
Energy: 0.9811433111888999
Energy: 1.1668801397318993
Energy: 0.9811433111885413
Energy: 1.166880139732258
Energy: 0.9811433111861738
Energy: 1.166880139733047
Energy: 0.8588454308923156
Energy: 0.989321635038042
Energy: 0.8588454308895894
Energy: 0.9893216350360333
Energy: 0.8588454308895894
Energy: 0.9893216350384008

minimum gb energy = 0.8579298163892112 eV
minimum distance =  2.36308058214637 Angstroms
sigma value = 67


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

Energy: 0.9299563515500188
Energy: 0.9393712791370538
Energy: 0.9299563515473817
Energy: 0.9393712791370538
Energy: 0.9299563515500188
Energy: 0.9393712791370538
Energy: 0.8978406617814725
Energy: 0.8874377059846073
Energy: 0.8978406617814725
Energy: 0.8874377059846073
Energy: 0.8978406617814725
Energy: 0.8874377059846073
Energy: 1.2556374881818624
Energy: 1.147468604215251
Energy: 1.2556374881818624
Energy: 1.147468604215251
Energy: 1.4344811565784408
Energy: 1.147468604215251
Energy: 0.8978895193446332
Energy: 0.8874463100697036
Energy: 0.8978895193446332
Energy: 0.8874463100697036
Energy: 0.8978895193446332
Energy: 0.8874463100697036
Energy: 0.9299563515500188
Energy: 0.939371279134417
Energy: 0.9299563515500188
Energy: 0.939371279134417
Energy: 0.9299563515500188
Energy: 0.939371279134417
Energy: 0.8978406617841094
Energy: 0.8874377059872441
Energy: 0.8978406617841094
Energy: 0.8874377059872441
Energy: 0.8978406617841094
Energy: 0.8874377059872441
Energy: 0.8882932897197823
Energy: 1.1474686042126139
Energy: 0.8882932897197823
Energy: 1.147468604215251
Energy: 0.8882932897197823
Energy: 1.1474686042126139

minimum gb energy = 0.8874377059846073 eV
minimum distance =  2.37888211748303 Angstroms
sigma value = 3


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

Energy: 1.3098402174281298
Energy: 1.0328920022949584
Energy: 1.3098402174281298
Energy: 1.0328920022949584
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Energy: 1.146413580367987
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Energy: 1.122829971946898
Energy: 1.0443209579914212
Energy: 1.122829971932544
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Energy: 1.1350659023142684
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Energy: 1.13506590235733
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Energy: 1.090881963286415
Energy: 1.0036855150971729
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Energy: 1.0165218450096898
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Energy: 0.9892460615023856
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Energy: 1.0746694893178312
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Energy: 1.0746694893142428
Energy: 1.1994460675016136
Energy: 1.0746694893178312
Energy: 1.1341397737070527
Energy: 1.0136909471088649
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Energy: 1.134139773710576
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Energy: 1.2015129881909967
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Energy: 1.140908078448724
Energy: 1.1034866016511864
Energy: 1.1409080784451355
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Energy: 1.15573155930887
Energy: 1.106421207981464
Energy: 1.15573155930887
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Energy: 1.106421207981464
Energy: 1.101653970391667
Energy: 1.1073520880725787
Energy: 1.1016539703952555
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Energy: 1.1016539703881438
Energy: 1.1073520880725787
Energy: 1.1172608673150024
Energy: 1.1009090576277567
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Energy: 1.1009090576277567
Energy: 1.1172608673185909
Energy: 1.1009090576241682
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Energy: 1.143886047206609
Energy: 1.0926270181293798
Energy: 1.143886047206609
Energy: 1.0926270181329685
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Energy: 1.1771926314915995
Energy: 1.042182331803398
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Energy: 1.1771926314915995
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Energy: 1.0054001038881453
Energy: 1.180960494780856
Energy: 1.0054001038917337
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Energy: 1.0054001038845568
Energy: 1.180960494780856
Energy: 1.126205366177237
Energy: 1.101007910747912
Energy: 1.126205366177237
Energy: 1.101007910747912
Energy: 1.126205366177237
Energy: 1.1010079107443236
Energy: 1.0058620944511965
Energy: 1.1490441493836192
Energy: 1.005862094447608
Energy: 1.149044149380031
Energy: 1.0058620944440195
Energy: 1.149044149380031
Energy: 1.2555626263149628
Energy: 0.9871005744802883
Energy: 1.2555626263149628
Energy: 0.9871005744838768
Energy: 1.2555626263149628
Energy: 0.9871005744802883
Energy: 1.0582123439587805
Energy: 1.1572214361858717
Energy: 1.0582123439552575
Energy: 1.1572214361858717
Energy: 1.0582123439552575
Energy: 1.1572214361858717
Energy: 1.1349448623694018
Energy: 0.9943783186020764
Energy: 1.13494486237299
Energy: 0.9943783186056648
Energy: 1.1349448623694018
Energy: 0.9943783186056648
Energy: 1.1241435013353664
Energy: 1.038013940704797
Energy: 1.124143501331778
Energy: 1.038013940704797
Energy: 1.124143501338955
Energy: 1.038013940704797
Energy: 1.1795841508506844
Energy: 1.056371414693131
Energy: 1.1795841508542728
Energy: 1.0674849482101152
Energy: 1.1795841508506844
Energy: 1.0674849482101152
Energy: 1.107865050278261
Energy: 1.1341439038908168
Energy: 1.1078650502746725
Energy: 1.1341439038908168
Energy: 1.1078650502746725
Energy: 1.1341439038908168
Energy: 1.080279740656436
Energy: 1.0501378985235534
Energy: 1.0802797406600244
Energy: 1.0501378985235534
Energy: 1.080279740656436
Energy: 1.050137898519965
Energy: 1.0060310330831723
Energy: 1.1568123570390059
Energy: 1.0060310330867608
Energy: 1.1568123570390059
Energy: 1.0060310330867608
Energy: 1.1568123570390059
Energy: 1.106283536116936
Energy: 1.1104987112932236
Energy: 1.1062835361205245
Energy: 1.1104987112932236
Energy: 1.106283536116936
Energy: 1.1104987112932236
Energy: 1.060497954445792
Energy: 1.1133308405677342
Energy: 1.0604979544422037
Energy: 1.1133308405641458
Energy: 1.060497954445792
Energy: 1.1133308405641458

minimum gb energy = 0.9837750808144624 eV
minimum distance =  2.34003059380871 Angstroms
sigma value = 81


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

Energy: 1.1380815291701478
Energy: 1.0560057062124808
Energy: 1.1380815291701478
Energy: 1.0560057062134658
Energy: 1.1380815291691628
Energy: 1.0560057062124808
Energy: 1.0407989753731612
Energy: 1.1109881187825488
Energy: 1.0407989753731612
Energy: 1.1109881187825488
Energy: 1.0407989753736535
Energy: 1.1109881187825488
Energy: 1.2051474948924579
Energy: 1.0614549691371957
Energy: 1.2051474948934429
Energy: 1.0614549691184803
Energy: 1.2051474948924579
Energy: 1.0614549691371957
Energy: 1.0141212964054327
Energy: 1.078036237051954
Energy: 1.0141212964113429
Energy: 1.0780362370524466
Energy: 1.0141212964064177
Energy: 1.0780362370524466
Energy: 1.050394090185871
Energy: 0.9686326280639986
Energy: 1.0503940901863635
Energy: 0.9686326280649836
Energy: 1.0503940901853785
Energy: 0.9686326280644912
Energy: 0.9889448337381834
Energy: 0.9645204067751069
Energy: 0.9889448337352281
Energy: 0.9645204067755995
Energy: 0.9889448337371982
Energy: 0.9645204067775695
Energy: 0.9948904129738754
Energy: 0.970980628474548
Energy: 0.9948904129738754
Energy: 0.9709806284730707
Energy: 0.9948904129733829
Energy: 0.9709806284740556
Energy: 1.0520598714284355
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Energy: 1.2700816444801233
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Energy: 1.2700816444845557
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Energy: 1.0518397287454435
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Energy: 0.9652698825281713
Energy: 1.0037007264625288
Energy: 0.9652698825286639
Energy: 1.0037007264610514
Energy: 0.965269882530634
Energy: 1.0037007264630213
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Energy: 1.0548056839160787
Energy: 1.0367819002274816
Energy: 1.0548056839165711
Energy: 1.0367819002294516
Energy: 1.0548056839165711
Energy: 1.1073800634793016
Energy: 1.1988100714035714
Energy: 1.1073800634788091
Energy: 1.198810071402094
Energy: 1.1073800634797941
Energy: 1.198810071403079
Energy: 1.1645677764115026
Energy: 0.9855152443952515
Energy: 1.1645677764124878
Energy: 0.9855152443952515
Energy: 1.16456777641101
Energy: 0.9855152443947589
Energy: 1.0520929573437359
Energy: 0.9678921263897703
Energy: 1.052092957344721
Energy: 0.9678921263892779
Energy: 1.0520929573427509
Energy: 0.9678921263897703
Energy: 1.107901646418619
Energy: 0.9633474778740803
Energy: 1.107901646418619
Energy: 0.9633474778745728
Energy: 1.1079016464181266
Energy: 0.9633474778745728
Energy: 1.0560826779124832
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Energy: 1.0875915837414774
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Energy: 1.057730703683184
Energy: 1.194006616444254
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Energy: 1.0577307036836765
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Energy: 1.0764901179871864
Energy: 1.1656665949941787
Energy: 1.0764901179871864
Energy: 1.165666594994671
Energy: 1.0764901179871864
Energy: 1.1656665949941787
Energy: 0.9670261179831792
Energy: 1.0547941110006867
Energy: 0.9670261179831792
Energy: 1.054794111000194
Energy: 0.967026117981209
Energy: 1.0547941109997014
Energy: 1.0484112518664217
Energy: 1.0277550862141558
Energy: 1.0484112518664217
Energy: 1.0277550862141558
Energy: 1.0484112518649442
Energy: 1.0277550862141558
Energy: 1.0314901547952608
Energy: 0.9654787853217925
Energy: 1.0314901547952608
Energy: 0.9654787853213002
Energy: 1.0314901547957533
Energy: 0.9654787853217925
Energy: 1.0388398940881378
Energy: 1.0543531553500642
Energy: 1.038839894087645
Energy: 1.0543531553495717
Energy: 1.0388398940891228
Energy: 1.0543531553500642
Energy: 1.1053886964101203
Energy: 1.1448380852052795
Energy: 1.1053886964086426
Energy: 1.1448380852052795
Energy: 1.1053886964096276
Energy: 1.1448380852052795
Energy: 0.9646006553280103
Energy: 1.2981029775906379
Energy: 0.9646006553270253
Energy: 1.2981029775901454
Energy: 0.9646006553349057
Energy: 1.2981029775911304
Energy: 1.034149037972649
Energy: 1.0158359826717502
Energy: 1.0341490379731415
Energy: 1.0158359826742127
Energy: 1.034149037972649
Energy: 1.0158359826697798
Energy: 1.105853483725231
Energy: 0.9635247728955906
Energy: 1.1058534837267087
Energy: 0.9635247728965756
Energy: 1.1058534837257235
Energy: 0.9635247728970682
Energy: 1.0520267045024574
Energy: 1.0372564755259557
Energy: 1.052026704501965
Energy: 1.0372564755259557
Energy: 1.0520267045029499
Energy: 1.0372564755264484
Energy: 1.1398417756573604
Energy: 0.9869187472386829
Energy: 1.139841775659823
Energy: 0.9869187472386829
Energy: 1.1398417756642554
Energy: 0.9869187472386829
Energy: 1.0793217060449438
Energy: 1.1636823470206168
Energy: 1.0793217060454365
Energy: 1.1636823470240645
Energy: 1.0793217060449438
Energy: 1.1636823470245568
Energy: 0.9690868393454065
Energy: 1.0543184162170203
Energy: 0.9690868393266912
Energy: 1.0543184162170203
Energy: 0.9690868393414664
Energy: 1.0543184162170203
Energy: 0.9642825058169229
Energy: 1.0552164777586754
Energy: 0.9642825058164304
Energy: 1.0552164778158069
Energy: 0.9642825058159379
Energy: 1.0552164777921662
Energy: 0.9649611456393412
Energy: 0.9922403901850613
Energy: 0.9649611456383559
Energy: 0.9922403901850613
Energy: 0.9649611456378635
Energy: 0.9922403901850613
Energy: 1.1122922158807809
Energy: 1.2615562120122523
Energy: 1.1122922158802886
Energy: 1.2615562120166848
Energy: 1.1122922158822586
Energy: 1.2615562119979693
Energy: 1.1620750472762154
Energy: 1.0765984441741725
Energy: 1.1620750472762154
Energy: 1.07659844417368
Energy: 1.1620750472757229
Energy: 1.0765984441746652
Energy: 1.0519648922786557
Energy: 1.0063337309000138
Energy: 1.0519648922796407
Energy: 1.0063337309024765
Energy: 1.051964892280626
Energy: 1.0063337308980438
Energy: 1.0253239851247662
Energy: 0.9707469309070366
Energy: 1.0253239851262437
Energy: 0.9707469309070366
Energy: 1.0253239851257512
Energy: 0.9707469309070366

minimum gb energy = 0.9633474778740803 eV
minimum distance =  2.40266699081275 Angstroms
sigma value = 43


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

Energy: 1.2135170020576895
Energy: 1.0277083884710976
Energy: 1.2135170020588997
Energy: 1.0277083884710976
Energy: 1.2135170020558748
Energy: 1.0277083884710976
Energy: 1.0822047093924714
Energy: 0.9735401026466749
Energy: 1.0822047093918663
Energy: 0.9735401026466749
Energy: 1.0822047093918663
Energy: 0.9735401026466749
Energy: 1.0710554436217485
Energy: 1.2081114514828575
Energy: 1.0710554436229585
Energy: 1.2081114514822526
Energy: 1.1610286253091047
Energy: 1.2081114514828575
Energy: 0.9669358828514788
Energy: 1.0140221247902663
Energy: 0.9669358828508737
Energy: 1.0140221247902663
Energy: 0.9669358828532937
Energy: 1.0140221247890562
Energy: 1.0685589955997055
Energy: 1.0581681604280118
Energy: 1.0685589956003105
Energy: 1.0581681604286166
Energy: 1.0685589955991006
Energy: 1.0581681604286166
Energy: 1.1063850656429262
Energy: 1.0533906929063421
Energy: 1.1063850656429262
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Energy: 1.0739917166675534
Energy: 1.159288735608837
Energy: 1.0739917166681583
Energy: 1.159288735608837
Energy: 1.0739917166669484
Energy: 1.1592887356106523
Energy: 0.9976104472619585
Energy: 1.1084579831917436
Energy: 0.9976104472619585
Energy: 1.1084579831923482
Energy: 0.9976104472613536
Energy: 1.1084579831935584
Energy: 1.139347854466957
Energy: 1.1148283007782163
Energy: 1.1393478544675621
Energy: 1.1148283007782163
Energy: 1.1393478544681672
Energy: 1.1148283007788213
Energy: 1.0277601338022055
Energy: 1.203100979660822
Energy: 1.0277601338022055
Energy: 1.2031009796614272
Energy: 1.0277601338016007
Energy: 1.2031009796614272
Energy: 1.1265794068029722
Energy: 1.014365621224368
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Energy: 1.014365621223158
Energy: 1.1265794068023947
Energy: 1.0143656212237628
Energy: 0.9978458756080563
Energy: 1.0751580574703528
Energy: 0.9978458756092661
Energy: 1.0751580574715625
Energy: 0.9978458756098711
Energy: 1.0751580574727726
Energy: 1.1178807162609399
Energy: 1.0540162661119683
Energy: 1.1178807162609399
Energy: 1.0540162661113632
Energy: 1.1178807162609399
Energy: 1.0540162661113632
Energy: 0.9682100903533915
Energy: 1.1928010218122405
Energy: 0.9682100903539966
Energy: 1.1928010218122405
Energy: 0.9682100903539966
Energy: 1.1928010218122405
Energy: 1.123060489763557
Energy: 1.0579279047715393
Energy: 1.123060489763557
Energy: 1.0579279047715393
Energy: 1.1230604897641618
Energy: 1.0579279047715393
Energy: 1.0218956200616784
Energy: 1.1036422524914895
Energy: 1.0218956200610734
Energy: 1.1036422524896747
Energy: 1.0218956200622562
Energy: 1.1036422524914895
Energy: 1.1070410819029128
Energy: 0.9751944470468225
Energy: 1.1070410819047276
Energy: 0.9751944470468225
Energy: 1.1070410819059375
Energy: 0.9751944470474273
Energy: 1.1377782696557286
Energy: 1.0259369058411647
Energy: 1.1377782696563334
Energy: 1.0259369058405596
Energy: 1.1377782696563334
Energy: 1.0259369058399546
Energy: 1.1694695485090625
Energy: 1.106014189489532
Energy: 1.1694695485084574
Energy: 1.106014189489532
Energy: 1.1694695485090625
Energy: 1.1060141894889268
Energy: 1.1058878482978072
Energy: 1.091137486910552
Energy: 1.1058878482978072
Energy: 1.0911374869123667
Energy: 1.1058878482972023
Energy: 1.0911374869111568
Energy: 1.0178070913274886
Energy: 1.0691729913636994
Energy: 1.0178070913268837
Energy: 1.0691729913630945
Energy: 1.0178070913274886
Energy: 1.0691729913643044
Energy: 1.1728734550570963
Energy: 1.1084731894297306
Energy: 1.172873455059516
Energy: 1.1084731894297306
Energy: 1.1728734550570963
Energy: 1.1084731894297306
Energy: 0.968054187978464
Energy: 1.0984882941961838
Energy: 0.968054187978464
Energy: 1.0984882941961838
Energy: 0.968054187977859
Energy: 1.0984882941967886
Energy: 1.1161739559368062
Energy: 1.1826086682151418
Energy: 1.1161739559368062
Energy: 1.1826086682109072
Energy: 1.1161739559374113
Energy: 1.182608668212722
Energy: 0.997835276603274
Energy: 1.1276371986287557
Energy: 0.9978352766026691
Energy: 1.1276371986281506
Energy: 0.9978352766026691
Energy: 1.1276371986287557
Energy: 1.1729941309784218
Energy: 1.121313816244996
Energy: 1.1729941309784218
Energy: 1.121313816244996
Energy: 1.1729941309784218
Energy: 1.1213138162456011
Energy: 1.027370343343554
Energy: 1.0652862745025933
Energy: 1.027370343341739
Energy: 1.0652862745019882
Energy: 1.027370343341739
Energy: 1.0652862745019882
Energy: 1.1384633869823881
Energy: 1.063934970307912
Energy: 1.138463386982993
Energy: 1.063934970307912
Energy: 1.138463386981783
Energy: 1.063934970307307
Energy: 0.9977784752972473
Energy: 1.1097644344004094
Energy: 0.9977784752972473
Energy: 1.1097644344010145
Energy: 0.9977784752972473
Energy: 1.1097644344010145
Energy: 1.067038583329348
Energy: 1.078880797170284
Energy: 1.067038583329348
Energy: 1.078880797169679
Energy: 1.067038583329348
Energy: 1.078880797170284
Energy: 1.106660258142597
Energy: 1.0530068040579452
Energy: 1.106660258142597
Energy: 1.0530068040579452
Energy: 1.106660258141992
Energy: 1.0530068040573404

minimum gb energy = 0.9669358828508737 eV
minimum distance =  2.37710719022051 Angstroms
sigma value = 57


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

Energy: 1.0660374105457249
Energy: 0.9554021584205799
Energy: 1.0660374105457249
Energy: 0.9554021584205799
Energy: 1.0660374105457249
Energy: 0.9554021584205799
Energy: 1.019928945226601
Energy: 0.9008815006848044
Energy: 1.0199289452281675
Energy: 0.9008815006840213
Energy: 1.0199289452258173
Energy: 0.9008815006855879
Energy: 1.1264061360451028
Energy: 1.1309585472830586
Energy: 1.1264061360451028
Energy: 1.1309585472830586
Energy: 1.1264061360451028
Energy: 1.1309585472822754
Energy: 1.120834175482397
Energy: 1.0304022503374246
Energy: 1.120834175469864
Energy: 1.0304022503366412
Energy: 1.1208341754878797
Energy: 1.030402250338208
Energy: 1.1016990086827656
Energy: 1.0983643636156717
Energy: 1.1016990086780662
Energy: 1.0983643636180216
Energy: 1.1016990086811993
Energy: 1.098364363616455
Energy: 1.1308754620125505
Energy: 1.0193747115025342
Energy: 1.1308754620125505
Energy: 1.019374711509584
Energy: 1.1308754620125505
Energy: 1.0193747115017509
Energy: 1.0870424468832682
Energy: 1.1451202113834045
Energy: 1.087042446880135
Energy: 1.1451202113834045
Energy: 1.0870424468817015
Energy: 1.1451202113841878
Energy: 1.0685051128797391
Energy: 0.9577084612307563
Energy: 1.0685051128813055
Energy: 0.9577084612307563
Energy: 1.068505112882089
Energy: 0.9577084612307563
Energy: 1.075774063972018
Energy: 0.99998616614854
Energy: 1.0757740639728013
Energy: 0.9999861661492877
Energy: 1.0757740639759343
Energy: 0.99998616614854
Energy: 0.9360106074370828
Energy: 1.0176799998146233
Energy: 0.9360106074370828
Energy: 1.0176799998146233
Energy: 0.9360106074370828
Energy: 1.01767999981384
Energy: 1.0861447103028072
Energy: 1.0302225838596286
Energy: 1.0861447103028072
Energy: 1.0302225838596286
Energy: 1.0861447103035904
Energy: 1.0302225838588452
Energy: 1.1064359372594108
Energy: 1.1000220142503119
Energy: 1.1064359372578445
Energy: 1.100022014251095
Energy: 1.1064359372570611
Energy: 1.1000220142503119
Energy: 1.0746875355118481
Energy: 0.9998213698254896
Energy: 1.0746875355110648
Energy: 0.9998213698341061
Energy: 1.0746875355110648
Energy: 0.9998213698309727
Energy: 1.2094513156633777
Energy: 0.9080609004669872
Energy: 1.2094513156633777
Energy: 0.9080609004685538
Energy: 1.2094513156633777
Energy: 0.9080609004662039
Energy: 1.071300229507052
Energy: 0.9565057753901752
Energy: 1.0713002295086185
Energy: 0.9565057753909585
Energy: 1.071300229507835
Energy: 0.9565057753909585
Energy: 1.090489490526121
Energy: 0.9990696003510222
Energy: 1.090489490526121
Energy: 0.9990696003510222
Energy: 1.090489490526121
Energy: 0.9990696003502387
Energy: 0.9275399567087336
Energy: 1.0169459153069895
Energy: 0.9275399567079504
Energy: 1.0169459153069895
Energy: 0.9275399567087336
Energy: 1.0169459153062061
Energy: 1.083365201741627
Energy: 1.076496472052577
Energy: 1.0833652017392774
Energy: 1.076496472052577
Energy: 1.0833652017424105
Energy: 1.076496472052577
Energy: 0.9277495751863788
Energy: 1.017445216837341
Energy: 0.9277495751863788
Energy: 1.017445216837341
Energy: 0.9277495751863788
Energy: 1.0174452168365578
Energy: 1.0906555093275612
Energy: 0.9989847749452582
Energy: 1.0906555093259944
Energy: 0.9989847749444747
Energy: 1.0906555093283445
Energy: 0.9989847749452582
Energy: 1.071259747444893
Energy: 0.9562368118741958
Energy: 1.071259747444893
Energy: 0.9562368118741958
Energy: 1.071259747442543
Energy: 0.9562368118734126
Energy: 1.2095236078557337
Energy: 1.0026834062204628
Energy: 1.209523607854167
Energy: 1.0026834062196794
Energy: 1.20952360785495
Energy: 1.0026834062196794
Energy: 1.0750713536540402
Energy: 0.999872317240834
Energy: 1.0750713536524736
Energy: 0.9998723172439673
Energy: 1.0750713536540402
Energy: 0.9998723172416173
Energy: 1.106523711560999
Energy: 1.09997741504951
Energy: 1.1065237115594324
Energy: 1.0999774150487267
Energy: 1.1065237115602156
Energy: 1.09997741504951

minimum gb energy = 0.9008815006840213 eV
minimum distance =  2.4056445728663 Angstroms
sigma value = 17


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

Energy: 1.0530884648600831
Energy: 0.9232422852162514
Energy: 1.053088464861191
Energy: 0.923242285214036
Energy: 1.0530884648600831
Energy: 0.9232422852162514
Energy: 0.9394974090955069
Energy: 0.873427128455414
Energy: 0.9394974090966148
Energy: 0.8734271284565218
Energy: 0.9394974090966148
Energy: 0.8734271284576295
Energy: 1.0848521776695768
Energy: 1.0132093655041081
Energy: 1.0848521776695768
Energy: 1.0132093655041081
Energy: 1.0848521776695768
Energy: 1.0132093655041081
Energy: 0.9730015320824117
Energy: 0.9942408489088687
Energy: 0.9730015320857349
Energy: 0.9942408489121918
Energy: 0.9730015320835194
Energy: 0.9942408489099763
Energy: 1.0503459263411161
Energy: 0.9595986572017142
Energy: 1.0503459263400086
Energy: 0.9595986572017142
Energy: 1.0503459263411161
Energy: 0.9595986572006064
Energy: 0.9460913539022096
Energy: 1.0170587610978805
Energy: 0.9460913539022096
Energy: 1.0170587610978805
Energy: 0.9460913539022096
Energy: 1.0170587610978805
Energy: 1.009685934443621
Energy: 0.9131676955888295
Energy: 1.009685934443621
Energy: 0.9131676955877217
Energy: 1.009685934443621
Energy: 0.9131676955888295
Energy: 0.9743140958043452
Energy: 1.062319080781604
Energy: 0.9743140958043452
Energy: 1.0623190807838196
Energy: 0.9743140958065608
Energy: 1.062319080781604
Energy: 0.9832389261232043
Energy: 0.8729669977950648
Energy: 0.9832389261232043
Energy: 0.8729669977939573
Energy: 0.9832389261232043
Energy: 0.8729669977939573
Energy: 0.9507305116565901
Energy: 0.9024445308816857
Energy: 0.9507305116576978
Energy: 0.9024445308839014
Energy: 0.9507305116576978
Energy: 0.9024445308827936
Energy: 0.9336992653107665
Energy: 1.05871847539946
Energy: 0.933699265308551
Energy: 1.058718475398352
Energy: 0.9336992653107665
Energy: 1.05871847539946
Energy: 1.0491190400771666
Energy: 0.9913676816317775
Energy: 1.0491190400782746
Energy: 0.9913676816284541
Energy: 1.0491190400793824
Energy: 0.9913676816339929
Energy: 0.8481322543452231
Energy: 1.0303138061868786
Energy: 0.8481322543441153
Energy: 1.030313806185771
Energy: 0.8481322543430074
Energy: 1.0303138061846633
Energy: 0.950401565358002
Energy: 1.0146457109265403
Energy: 0.950401565358002
Energy: 1.0146457109265403
Energy: 0.950401565358002
Energy: 1.0146457109265403
Energy: 0.945125975012065
Energy: 1.1957294400261549
Energy: 0.945125975012065
Energy: 1.195729440025047
Energy: 0.945125975012065
Energy: 1.1957294400261549
Energy: 0.9454604706032056
Energy: 1.0257036727148385
Energy: 0.9454604706009901
Energy: 1.0257036726849293
Energy: 0.9454604706009901
Energy: 1.0257036727137308
Energy: 0.9472196213292687
Energy: 1.013824877158286
Energy: 0.9472196213292687
Energy: 1.013824877158286
Energy: 0.9472196213303765
Energy: 1.013824877158286

minimum gb energy = 0.8481322543430074 eV
minimum distance =  2.36398365037538 Angstroms
sigma value = 17


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

Energy: 0.9526433901834493
Energy: 0.8665475854206119
Energy: 0.9526433901813106
Energy: 0.8665475854201842
Energy: 0.9526433901821661
Energy: 0.8665475854206119
Energy: 0.9008156886387096
Energy: 0.8338732914230622
Energy: 0.9008156886387096
Energy: 0.8574221880368755
Energy: 0.9008156886438428
Energy: 0.8338732914226344
Energy: 0.9578034766030353
Energy: 0.920088041496621
Energy: 0.9578034766034631
Energy: 0.920088041496621
Energy: 0.9578034766047464
Energy: 0.920088041496621
Energy: 0.903845455195238
Energy: 0.8994674627307578
Energy: 0.9038454551939545
Energy: 0.8994674627358912
Energy: 0.9038454551943824
Energy: 0.8994674627333246
Energy: 1.0186797354011135
Energy: 0.8338293180831442
Energy: 1.0186797353994022
Energy: 0.8338293180810055
Energy: 1.01867973539983
Energy: 0.8338293180857108
Energy: 0.9197606258408573
Energy: 0.8839200770598911
Energy: 0.9197606258387184
Energy: 0.8741750687736155
Energy: 0.9197606258421407
Energy: 0.8839200770607466
Energy: 0.881938444416965
Energy: 0.8703313185094281
Energy: 0.8819384444156817
Energy: 0.8703313185034395
Energy: 0.8819384444165372
Energy: 0.8703313185047228
Energy: 0.9611583093941612
Energy: 1.116982455912793
Energy: 0.9611583093950168
Energy: 1.116982455912793
Energy: 0.9611583093975835
Energy: 1.1169824559132209
Energy: 1.0834842410389578
Energy: 0.9084679381223196
Energy: 1.0834842410389578
Energy: 0.9084679381223196
Energy: 1.0834842410389578
Energy: 0.9084679381227474
Energy: 0.8807693013043442
Energy: 0.8035834423981819
Energy: 0.8807693013073387
Energy: 0.803583442397754
Energy: 0.8807693013034886
Energy: 0.803583442397754
Energy: 0.8049862099863668
Energy: 1.0985204514275435
Energy: 0.8049862099791335
Energy: 1.0985204514279712
Energy: 0.8049862099820891
Energy: 1.0985204514275435
Energy: 0.9540790797788985
Energy: 0.8336587077965493
Energy: 0.9540790797801819
Energy: 0.8336587077944104
Energy: 0.9540790797784707
Energy: 0.8336587077961215
Energy: 1.023142253185806
Energy: 1.012565631001423
Energy: 1.0231422531870895
Energy: 1.012565631001851
Energy: 1.0231422531866616
Energy: 1.0125656310022786
Energy: 0.8640393678349527
Energy: 0.973136766154282
Energy: 0.8640393678332416
Energy: 0.9731367661547098
Energy: 0.864039367832386
Energy: 0.9731367661547098
Energy: 0.9644079395221743
Energy: 0.9282695892072598
Energy: 0.9644079395217465
Energy: 0.928269589206832
Energy: 0.9644079395226022
Energy: 0.9282695892064042
Energy: 0.8052070283837356
Energy: 0.9080684330221336
Energy: 0.8052070283833079
Energy: 0.9080684330327887
Energy: 0.8052070283841634
Energy: 0.9080684330246613
Energy: 0.8734525251540333
Energy: 0.9009473414545922
Energy: 0.8734525251561722
Energy: 0.90094734145502
Energy: 0.8734525251548889
Energy: 0.90094734145502
Energy: 0.9048771722451175
Energy: 1.1128590790456525
Energy: 0.9048771722459732
Energy: 1.1128590790456525
Energy: 0.9048771722442621
Energy: 1.112859079044797
Energy: 0.9446501680878402
Energy: 1.0210909938475776
Energy: 0.944650168089979
Energy: 1.0210909938475776
Energy: 0.9446501680891235
Energy: 1.021090993846722
Energy: 0.8723090562513236
Energy: 0.8945644604756086
Energy: 0.8723090562491848
Energy: 0.8945644604756086
Energy: 0.8723090562491848
Energy: 0.8945644604756086
Energy: 0.9452101285421911
Energy: 1.0204090450648629
Energy: 0.9452101285413355
Energy: 1.0204090450674297
Energy: 0.9452101285409077
Energy: 1.0204090450652907
Energy: 0.9050570349163245
Energy: 1.1131119725024574
Energy: 0.9050570349150412
Energy: 1.113111972503274
Energy: 0.905057034915469
Energy: 1.1131119725024574
Energy: 0.8736757177137962
Energy: 0.9006236703512369
Energy: 0.873675717712513
Energy: 0.9006236703512369
Energy: 0.8736757177133684
Energy: 0.9006236703516646
Energy: 0.8051793431832406
Energy: 1.1122982388745517
Energy: 0.8051793431815295
Energy: 1.1122982388745517
Energy: 0.8051793431858071
Energy: 1.1122982388745517
Energy: 0.9647839787385268
Energy: 0.9287447745940243
Energy: 0.964783978738099
Energy: 0.928744774594452
Energy: 0.9647839787376712
Energy: 0.9287447745931687
Energy: 0.8662179766332078
Energy: 0.9731118894314424
Energy: 0.8662179766332078
Energy: 0.9731118894310147
Energy: 0.8662179766340634
Energy: 0.9731118894310147
Energy: 1.0231652631339838
Energy: 1.0126804968352545
Energy: 1.0231652631344115
Energy: 1.0126804968348269
Energy: 1.0231652631352668
Energy: 1.0126804968348269
Energy: 0.9541482526737509
Energy: 0.8333241861655398
Energy: 0.9541482526741788
Energy: 0.8333241861663955
Energy: 0.9541482526737509
Energy: 0.8333241861655398
Energy: 0.8043182210166494
Energy: 1.098482793678455
Energy: 0.8043182210273437
Energy: 1.098482793678455
Energy: 0.804318221021355
Energy: 1.0984827936780273
Energy: 0.881045995030977
Energy: 0.9533119330361426
Energy: 0.8810459950314048
Energy: 0.9533119330361426
Energy: 0.881045995030977
Energy: 0.9533119330361426
Energy: 1.084042203974989
Energy: 0.9100786953575072
Energy: 1.084042203974989
Energy: 0.9100786953575072
Energy: 1.0840422039754165
Energy: 0.9100786953583627
Energy: 0.960879432061096
Energy: 1.116932785399272
Energy: 0.960879432061096
Energy: 1.1169327853988442
Energy: 0.9608794320606682
Energy: 1.116932785399272
Energy: 0.882434311102241
Energy: 0.8807145879805892
Energy: 0.8824343111030966
Energy: 0.8807145879831558
Energy: 0.8824343111052355
Energy: 0.8807145879823002
Energy: 0.9199409728668191
Energy: 0.8415441765336522
Energy: 0.9199409728659635
Energy: 0.8415441765336522
Energy: 0.9199409728663913
Energy: 0.8415441765327967
Energy: 1.0185129403907716
Energy: 0.8343359770405114
Energy: 1.0185129403839273
Energy: 0.8343359770336672
Energy: 1.0185129403886328
Energy: 0.834335977024684
Energy: 0.9037935546530731
Energy: 0.899454118110594
Energy: 0.9037935546509342
Energy: 0.8994541181097385
Energy: 0.9037935546509342
Energy: 0.899454118114016
Energy: 0.9579524622859623
Energy: 0.9200032718786216
Energy: 0.9579524622872456
Energy: 0.9200032718786216
Energy: 0.9579524622868179
Energy: 0.9200032718790494
Energy: 0.9011485727985264
Energy: 0.8326991525429221
Energy: 0.9011485727882598
Energy: 0.8326991525416388
Energy: 0.901148572795532
Energy: 0.8326991525429221
Energy: 0.9526433901817384
Energy: 0.8665475854201842
Energy: 0.9526433901834493
Energy: 0.8665475854206119
Energy: 0.9526433901821661
Energy: 0.8665475854210397
Energy: 0.9008156886425595
Energy: 0.8338732914269121
Energy: 0.900815688643415
Energy: 0.83387329142734
Energy: 0.900815688643415
Energy: 0.83387329142734
Energy: 0.9578034765996133
Energy: 0.9200880414974766
Energy: 0.9578034765987576
Energy: 0.9200880414979044
Energy: 0.9578034765996133
Energy: 0.9200880414974766
Energy: 0.9038454551918157
Energy: 0.9194087506245807
Energy: 0.9038454551913879
Energy: 0.9194087506254363
Energy: 0.9038454551939545
Energy: 0.919408750627575
Energy: 1.0186797354156578
Energy: 0.8338293180715944
Energy: 1.0186797354113801
Energy: 0.833829318074161
Energy: 1.0186797354160857
Energy: 0.833829318074161

minimum gb energy = 0.803583442397754 eV
minimum distance =  2.36015667058611 Angstroms
sigma value = 57


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

Energy: 0.8810116645716692
Energy: 0.804612980640706
Energy: 0.8810116645737589
Energy: 0.8046129806414025
Energy: 0.8810116645737589
Energy: 0.8046129806434921
Energy: 0.9299426062511412
Energy: 0.7797767342067714
Energy: 0.9299426062546238
Energy: 0.779776734207468
Energy: 0.9299426062525343
Energy: 0.779776734204682
Energy: 0.9120022484995578
Energy: 0.9281597070441311
Energy: 0.9470167347067617
Energy: 0.9281597070441311
Energy: 0.912002248502344
Energy: 0.9281597070441311
Energy: 0.8450519948754176
Energy: 0.8796508731359909
Energy: 0.845051994874721
Energy: 0.8796508731366875
Energy: 0.845051994873328
Energy: 0.8796508731359909
Energy: 0.9268943256500858
Energy: 0.7928945887587922
Energy: 0.9268943256459066
Energy: 0.7928945887594886
Energy: 0.9268943256472997
Energy: 0.7928945887594886
Energy: 0.8668819843165051
Energy: 0.7907086080814316
Energy: 0.8668819843178982
Energy: 0.7907086080828246
Energy: 0.8668819843165051
Energy: 0.790708608082128
Energy: 0.7632232639932081
Energy: 0.8385662970345987
Energy: 0.7632232639841533
Energy: 0.8385662970332058
Energy: 0.7632232639827603
Energy: 0.8385662970345987
Energy: 1.0358997107886558
Energy: 0.9970769756673316
Energy: 1.0358997107893524
Energy: 0.9970769756673316
Energy: 1.0358997107907453
Energy: 0.9970769756680282
Energy: 0.8081399904043262
Energy: 0.7928231355262947
Energy: 0.8081399904036296
Energy: 0.7928231355262947
Energy: 0.8081399904071122
Energy: 0.7928231355262947
Energy: 0.8129357351648688
Energy: 0.8108461332222717
Energy: 0.8129357351572073
Energy: 0.8108461332215752
Energy: 0.8129357351627794
Energy: 0.8108461332215752
Energy: 0.7632594376831197
Energy: 1.0375862226527905
Energy: 0.7632594376900848
Energy: 1.0375862226520942
Energy: 0.7632594376900848
Energy: 1.0375862226520942
Energy: 0.8380977464261522
Energy: 0.8451592518296008
Energy: 0.8380977464261522
Energy: 0.8451592518309938
Energy: 0.8380977464275451
Energy: 0.8451592518282077
Energy: 0.8096468606276762
Energy: 0.9167003301549802
Energy: 0.8096468606276762
Energy: 0.9167003301542834
Energy: 0.8096468606276762
Energy: 0.9167003301549802
Energy: 0.8087878303290266
Energy: 0.9471522151472132
Energy: 0.8087878303241509
Energy: 0.9471522151479096
Energy: 0.8087878303262406
Energy: 0.9471522151479096
Energy: 0.8983798798069869
Energy: 0.7923498876261635
Energy: 0.8983798798069869
Energy: 0.7923498876289496
Energy: 0.8983798798076834
Energy: 0.7923498876254671
Energy: 0.9515983674829914
Energy: 0.9595918916125229
Energy: 0.9515983674843845
Energy: 0.9595918916125229
Energy: 0.9515983674829914
Energy: 0.9595918916132194
Energy: 0.8083179680799203
Energy: 0.9369939379451826
Energy: 0.8083179680785271
Energy: 0.936993937945879
Energy: 0.8083179680813132
Energy: 0.936993937945879
Energy: 0.8969739693857883
Energy: 0.8668700092164932
Energy: 0.8969739693871812
Energy: 0.866870009224155
Energy: 0.8969739693850916
Energy: 0.8668700092220654
Energy: 0.9243203947494973
Energy: 0.9726233535726792
Energy: 0.9243203947474077
Energy: 0.9726233535761616
Energy: 0.9243203947481045
Energy: 0.9726233535726792
Energy: 0.8048033902585452
Energy: 0.8709272209072169
Energy: 0.8048033902564556
Energy: 0.8709272209079134
Energy: 0.8048033902543662
Energy: 0.8709272209079134
Energy: 0.8485496356972303
Energy: 0.8603512633015475
Energy: 0.8485496356937479
Energy: 0.8603512633036371
Energy: 0.8485496356986234
Energy: 0.8603512633092092
Energy: 0.7665593021630168
Energy: 0.9775661550155675
Energy: 0.766559302169982
Energy: 0.9775661550155675
Energy: 0.766559302169982
Energy: 0.977566155014871
Energy: 0.8146569537052133
Energy: 0.8362415815328366
Energy: 0.8146569537038203
Energy: 0.8362415815328366
Energy: 0.8146569537052133
Energy: 0.8362415815328366
Energy: 0.822772925100716
Energy: 0.9764730627179623
Energy: 0.8227729251028053
Energy: 0.9764730627186589
Energy: 0.8227729251028053
Energy: 0.9764730627179623
Energy: 0.9991390418216818
Energy: 1.0602127787787374
Energy: 0.9991390418216818
Energy: 1.0602127787787374
Energy: 0.9991390418223782
Energy: 1.0602127787787374
Energy: 0.806446815025606
Energy: 0.8364910629932839
Energy: 0.806446815025606
Energy: 0.8364910629932839
Energy: 0.8064468150242129
Energy: 0.8364910629925874
Energy: 0.7789079679368496
Energy: 0.9728199910525902
Energy: 0.7789079679382426
Energy: 0.9728199910518937
Energy: 0.7789079679389391
Energy: 0.9728199910560726

minimum gb energy = 0.7632232639827603 eV
minimum distance =  2.3370019075582 Angstroms
sigma value = 43


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

Energy: 0.8505964031630577
Energy: 0.7274253177148934
Energy: 0.8505964031625504
Energy: 0.7274253177154009
Energy: 0.8505964031640727
Energy: 0.7274253177148934
Energy: 0.8111938113026818
Energy: 0.826787191562554
Energy: 0.8111938113036966
Energy: 0.826787191562554
Energy: 0.8111938113031892
Energy: 0.8267871915620466
Energy: 0.8041359629262959
Energy: 0.8292633500343913
Energy: 0.8041359629268033
Energy: 0.8292633500343913
Energy: 0.8041359629262959
Energy: 0.8292633500338839
Energy: 0.9259794667674939
Energy: 0.7705384279766107
Energy: 0.9259794667685088
Energy: 0.7705384279755956
Energy: 0.9259794667690162
Energy: 0.7705384279755956
Energy: 0.8027301701120715
Energy: 0.8012170272332354
Energy: 0.8027301701090266
Energy: 0.8012170272332354
Energy: 0.8027301701146089
Energy: 0.8012170272332354
Energy: 0.761763535080867
Energy: 0.7043907201932524
Energy: 0.7617635350813744
Energy: 0.7043907201932524
Energy: 0.761763535080867
Energy: 0.7043907201952824
Energy: 0.6744245300453763
Energy: 0.7392352565447463
Energy: 0.6744245300392865
Energy: 0.7392352565452538
Energy: 0.6744245300443613
Energy: 0.739235256543224
Energy: 0.9948680117491103
Energy: 0.8894015707573542
Energy: 0.9948680117486027
Energy: 0.8894015707578615
Energy: 0.9948680117486027
Energy: 0.8894015707578615
Energy: 0.7303125234899908
Energy: 0.702519969604918
Energy: 0.7303125234904982
Energy: 0.702519969604918
Energy: 0.7303125234894832
Energy: 0.702519969604918
Energy: 0.8035711545611599
Energy: 0.7098929260123203
Energy: 0.8035711545606524
Energy: 0.7098929260123203
Energy: 0.8035711545616675
Energy: 0.7098929260118129
Energy: 0.9019756045681424
Energy: 0.8901063612253108
Energy: 0.9019756045696651
Energy: 0.8901063612253108
Energy: 0.9019756045706799
Energy: 0.8901063612258184
Energy: 0.6937969972217939
Energy: 0.7032751070443113
Energy: 0.6937969972207788
Energy: 0.7032751070438038
Energy: 0.6937969972212864
Energy: 0.7032751070458338
Energy: 0.8019096710961001
Energy: 0.6822328960446274
Energy: 0.8019096710971152
Energy: 0.6822328960441199
Energy: 0.8019096710955926
Energy: 0.6822328960446274
Energy: 0.9137447334806638
Energy: 0.7850895101804298
Energy: 0.9137447334801563
Energy: 0.7850895101804298
Energy: 0.9137447334801563
Energy: 0.7850895101829672
Energy: 0.7079582906697259
Energy: 0.7817408553599685
Energy: 0.7079582906687111
Energy: 0.7817408553599685
Energy: 0.7079582906692186
Energy: 0.7817408553599685
Energy: 0.803524873082676
Energy: 0.7540580288980284
Energy: 0.8035248730816609
Energy: 0.7540580288985359
Energy: 0.8035248730811534
Energy: 0.7540580288975209
Energy: 0.9074492990131646
Energy: 0.8759769753575041
Energy: 0.9074492990136722
Energy: 0.8759769753580116
Energy: 0.9074492990126573
Energy: 0.8759769753575041
Energy: 0.7336728469727968
Energy: 0.7050689702110849
Energy: 0.7336728469707668
Energy: 0.7050689702151449
Energy: 0.7336728469722894
Energy: 0.7050689702146374
Energy: 0.7075071798081214
Energy: 0.8078769057542539
Energy: 0.7075071798076139
Energy: 0.8078769057542539
Energy: 0.7075071798086289
Energy: 0.8078769057542539
Energy: 0.8277872904312699
Energy: 0.7878550759095282
Energy: 0.8277872904317775
Energy: 0.7878550759085133
Energy: 0.8277872904317775
Energy: 0.7878550759080057
Energy: 0.7943213642636356
Energy: 0.7211698417346499
Energy: 0.7943213642626207
Energy: 0.7211698417351574
Energy: 0.7943213642631282
Energy: 0.7211698417346499
Energy: 0.8356097989878798
Energy: 0.8260658612289532
Energy: 0.835609798986865
Energy: 0.8260658612284456
Energy: 0.8356097989873724
Energy: 0.8260658612284456
Energy: 0.8627799919501827
Energy: 0.8118717082915415
Energy: 0.8627799919486604
Energy: 0.811871708292049
Energy: 0.862779991946123
Energy: 0.8118717082915415
Energy: 0.8676106019907588
Energy: 0.817407514174723
Energy: 0.8676106019907588
Energy: 0.817407514174723
Energy: 0.8676106019912663
Energy: 0.817407514174723
Energy: 0.8010151884591031
Energy: 0.7926093889732424
Energy: 0.8010151884591031
Energy: 0.7926093889747649
Energy: 0.8010151884596106
Energy: 0.7926093889732424
Energy: 0.7992784741721578
Energy: 0.7741326218469632
Energy: 0.7992784741716503
Energy: 0.7741326218469632
Energy: 0.7992784741721578
Energy: 0.7741326218469632
Energy: 0.7460396636679224
Energy: 0.9039781258678902
Energy: 0.7460396636699522
Energy: 0.9039781258683977
Energy: 0.7705057098793385
Energy: 0.9039781258683977
Energy: 0.7828188213067231
Energy: 0.796700699167542
Energy: 0.7828188213046933
Energy: 0.7967006991670345
Energy: 0.7828188213052008
Energy: 0.7967006991670345
Energy: 0.6932776370396051
Energy: 0.7287913938392545
Energy: 0.6932776370396051
Energy: 0.728791393839762
Energy: 0.6932776370401126
Energy: 0.7287913938392545
Energy: 0.7056597023624654
Energy: 0.8968321730578567
Energy: 0.7056597023604355
Energy: 0.8968321730583643
Energy: 0.7056597023594205
Energy: 0.8968321730563342
Energy: 0.6951317327101882
Energy: 0.7968282154681134
Energy: 0.6951317327112032
Energy: 0.796828215469636
Energy: 0.7813766422698806
Energy: 0.796828215469636
Energy: 0.6943001434316138
Energy: 0.7142469078288046
Energy: 0.6943001434311064
Energy: 0.7142469078288046
Energy: 0.6943001434321213
Energy: 0.7142469078288046
Energy: 0.6889159232213906
Energy: 0.7911089395347726
Energy: 0.688915923219868
Energy: 0.7911089395347726
Energy: 0.6889159232213906
Energy: 0.7911089395347726
Energy: 0.9057766967278333
Energy: 0.8926301375827889
Energy: 0.9057766967263109
Energy: 0.8926301375827889
Energy: 0.9057766967268184
Energy: 0.8926301375827889
Energy: 0.6956566821516138
Energy: 0.6960173061271527
Energy: 0.6956566821511063
Energy: 0.6960173061271527
Energy: 0.6956566821516138
Energy: 0.6960173061271527
Energy: 0.6472590309931054
Energy: 0.7902133228191519
Energy: 0.6472590309900604
Energy: 0.7902133228186444
Energy: 0.6472590309900604
Energy: 0.7902133228186444

minimum gb energy = 0.6472590309900604 eV
minimum distance =  2.32846309047634 Angstroms
sigma value = 81


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

Energy: 0.346690922009735
Energy: 0.39127283381690897
Energy: 0.08401375825878116
Energy: 0.39127283381690897
Energy: 0.346690922009735
Energy: 0.3912728338187736
Energy: 0.9275589881224068
Energy: 0.0844984221411768
Energy: 0.9275589881242714
Energy: 0.0844984221411768
Energy: 0.9275589881224068
Energy: 0.08449842213744756
Energy: 0.8393476251906284
Energy: 0.08491445990384376
Energy: 0.8393476251924931
Energy: 0.08491445990384376
Energy: 0.8393476251906284
Energy: 0.084914459907573
Energy: 0.08401375825878116
Energy: 0.39127283381317973
Energy: 0.08401375825878116
Energy: 0.39127283381317973
Energy: 0.08401375825878116
Energy: 0.3912728338150443
Energy: 0.9275589881224068
Energy: 0.08449842213558294
Energy: 0.9275589881242714
Energy: 0.08449842213744756
Energy: 0.9275589881224068
Energy: 0.08449842213558294
Energy: 0.8393476251906284
Energy: 0.08491445990197916
Energy: 0.8393476251906284
Energy: 0.08491445990197916
Energy: 0.8393476251906284
Energy: 0.08491445990384376
Energy: 0.3466909220115996
Energy: 0.3912728338150443
Energy: 0.08401375825878116
Energy: 0.3912728338150443
Energy: 0.3466909220115996
Energy: 0.39127283381690897
Energy: 0.9275589881224068
Energy: 0.08449842213744756
Energy: 0.9275589881242714
Energy: 0.08449842213371832
Energy: 0.9275589881224068
Energy: 0.08449842213371832
Energy: 0.8393476251887639
Energy: 0.08491445990384376
Energy: 0.8393476251906284
Energy: 0.08491445990197916
Energy: 0.8393476251887639
Energy: 0.08491445990570837
Energy: 0.08401375825878116
Energy: 0.3912728338150443
Energy: 0.08401375825878116
Energy: 0.3912728338150443
Energy: 0.08401375825878116
Energy: 0.3912728338187736

minimum gb energy = 0.08401375825878116 eV
minimum distance =  2.43554846977208 Angstroms
sigma value = 3


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

Energy: 0.8545245348601934
Energy: 0.6904036838282424
Energy: 0.8545245348601934
Energy: 0.6904036838282424
Energy: 0.8545245348601934
Energy: 0.6904036838282424
Energy: 0.7280782614890503
Energy: 0.7368390546700108
Energy: 0.7280782614896083
Energy: 0.7368390546694529
Energy: 0.7280782614896083
Energy: 0.7368390546694529
Energy: 0.7732842777482785
Energy: 0.7366984922760524
Energy: 0.7732842777482785
Energy: 0.7366984922766103
Energy: 0.7732842777482785
Energy: 0.7366984922760524
Energy: 0.8165527259219165
Energy: 0.7427558419146901
Energy: 0.8165527259219165
Energy: 0.7427558419146901
Energy: 0.8165527259219165
Energy: 0.7427558419146901
Energy: 0.618587835936613
Energy: 0.7286941261140535
Energy: 0.6185878359360549
Energy: 0.7286941261140535
Energy: 0.618587835934939
Energy: 0.7286941261146115
Energy: 0.7787653934290392
Energy: 0.7959722135002952
Energy: 0.7787653934295972
Energy: 0.7959722134997372
Energy: 0.7787653934295972
Energy: 0.7959722134997372
Energy: 0.7951247547363034
Energy: 0.7259765624803581
Energy: 0.7951247547368615
Energy: 0.7259765624803581
Energy: 0.7951247547363034
Energy: 0.725976562480916
Energy: 0.6310780773907805
Energy: 0.7272519989188881
Energy: 0.6310780773907805
Energy: 0.7272519989188881
Energy: 0.6310780773907805
Energy: 0.7272519989188881
Energy: 0.7882825287465439
Energy: 0.8017432307654491
Energy: 0.7882825287465439
Energy: 0.801743230766007
Energy: 0.7882825287465439
Energy: 0.8017432307654491
Energy: 0.712438282706496
Energy: 0.677835854162403
Energy: 0.712438282706496
Energy: 0.6778358541596129
Energy: 0.712438282706496
Energy: 0.677835854158497
Energy: 0.6840547965710249
Energy: 0.7255846166065499
Energy: 0.6840547965710249
Energy: 0.7255846166065499
Energy: 0.6840547965710249
Energy: 0.7255846166065499
Energy: 0.8154009884285424
Energy: 0.8313745383065325
Energy: 0.8154009884268684
Energy: 0.8313745383065325
Energy: 0.8154009884279844
Energy: 0.8313745383065325
Energy: 0.7347043822162901
Energy: 0.6351999767743808
Energy: 0.7347043822168482
Energy: 0.6351999767754969
Energy: 0.7347043822174061
Energy: 0.6351999767749388
Energy: 0.6910011617953792
Energy: 0.7988189059306384
Energy: 0.6910011617948213
Energy: 0.7988189059306384
Energy: 0.6910011617942633
Energy: 0.7988189059306384
Energy: 0.8070324355565999
Energy: 0.798476454053765
Energy: 0.8070324355565999
Energy: 0.798476454054323
Energy: 0.8070324355565999
Energy: 0.798476454054323
Energy: 0.6881939319525134
Energy: 0.617626563432225
Energy: 0.6881939319519556
Energy: 0.617626563432225
Energy: 0.6881939319525134
Energy: 0.617626563433341
Energy: 0.72551263213938
Energy: 0.8062851779085102
Energy: 0.725512632142728
Energy: 0.8062851779085102
Energy: 0.725512632141054
Energy: 0.8062851779085102
Energy: 0.7408522380163552
Energy: 0.7586268432374841
Energy: 0.7408522380163552
Energy: 0.7586268432374841
Energy: 0.7408522380157972
Energy: 0.7586268432374841
Energy: 0.7407313629185862
Energy: 0.62846765352721
Energy: 0.7407313629191443
Energy: 0.628467653528326
Energy: 0.7407313629191443
Energy: 0.628467653528326
Energy: 0.7117632229715283
Energy: 0.8404433188734269
Energy: 0.7117632229709703
Energy: 0.8404433188728687
Energy: 0.7117632229709703
Energy: 0.8404433188734269
Energy: 0.7658732387988234
Energy: 0.7273220647651599
Energy: 0.7658732387993815
Energy: 0.7273220647646019
Energy: 0.7658732387993815
Energy: 0.7273220647646019
Energy: 0.7648712181325864
Energy: 0.7383648495411346
Energy: 0.7648712181314704
Energy: 0.7383648495411346
Energy: 0.7648712181309124
Energy: 0.7383648495405767
Energy: 0.7352506725002412
Energy: 0.826522721971262
Energy: 0.7352506725019151
Energy: 0.826522721971262
Energy: 0.7352506725007992
Energy: 0.826522721971262
Energy: 0.8289384514767068
Energy: 0.6207937929300336
Energy: 0.8289384514772647
Energy: 0.6207937929305914
Energy: 0.8289384514767068
Energy: 0.6207937929305914
Energy: 0.8010884681229485
Energy: 0.7820528615022072
Energy: 0.8010884681229485
Energy: 0.7820528615022072
Energy: 0.8010884681223907
Energy: 0.7820528615022072
Energy: 0.7170190651019088
Energy: 0.8021319211212741
Energy: 0.7170190651024668
Energy: 0.8021319211212741
Energy: 0.7170190651019088
Energy: 0.8021319211212741
Energy: 0.852779818204834
Energy: 0.6370215162018535
Energy: 0.8527798182053921
Energy: 0.6370215162018535
Energy: 0.852779818204834
Energy: 0.6370215162018535
Energy: 0.7922475250561206
Energy: 0.7985837842300068
Energy: 0.7922475250550046
Energy: 0.7985837842300068
Energy: 0.7922475250555625
Energy: 0.7985837842294489
Energy: 0.6939275782593262
Energy: 0.7274610192534484
Energy: 0.6939275782593262
Energy: 0.7274610192534484
Energy: 0.6939275782587683
Energy: 0.7274610192534484
Energy: 0.8463414055089127
Energy: 0.6929634408480824
Energy: 0.8463414055089127
Energy: 0.6929634408475244
Energy: 0.8463414055094707
Energy: 0.6929634408480824
Energy: 0.7169073486240831
Energy: 0.7959840837600469
Energy: 0.7169073486246411
Energy: 0.7959840837594888
Energy: 0.7169073486251991
Energy: 0.7959840837594888
Energy: 0.6690501614325413
Energy: 0.7224183048873564
Energy: 0.6690501614330993
Energy: 0.7224183048895882
Energy: 0.6690501614336573
Energy: 0.7224183048890304
Energy: 0.8046251374536711
Energy: 0.7216469966074703
Energy: 0.8046251374536711
Energy: 0.7216469966074703
Energy: 0.8046251374536711
Energy: 0.7216469966069123

minimum gb energy = 0.617626563432225 eV
minimum distance =  2.37198186687913 Angstroms
sigma value = 67


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

Energy: 0.9910295905566535
Energy: 0.8715297904423416
Energy: 0.9910295905550636
Energy: 0.8715297904423416
Energy: 0.9910295905558585
Energy: 0.8715297904423416
Energy: 0.875759951026951
Energy: 0.8855654642830157
Energy: 0.8757599510277461
Energy: 0.8855654642830157
Energy: 0.875759951026951
Energy: 0.8855654642830157
Energy: 0.962061984466469
Energy: 0.8897625297951234
Energy: 0.962061984466469
Energy: 0.8897625297951234
Energy: 0.962061984466469
Energy: 0.8897625297951234
Energy: 0.965401058654572
Energy: 0.8795759406255238
Energy: 0.965401058654572
Energy: 0.8795759406255238
Energy: 0.9654010586553672
Energy: 0.8795759406263188
Energy: 0.7596564748016419
Energy: 0.8578565788299389
Energy: 0.7596564748008469
Energy: 0.8578565788299389
Energy: 0.7596564748024369
Energy: 0.8578565788299389
Energy: 0.958093729096223
Energy: 0.957941098425643
Energy: 0.9580937290970181
Energy: 0.957941098425643
Energy: 0.958093729096223
Energy: 0.957941098425643
Energy: 0.8639846807296127
Energy: 0.8552749210357071
Energy: 0.8639846807288176
Energy: 0.8552749210357071
Energy: 0.8639846807280224
Energy: 0.8552749210357071
Energy: 0.8601044858274387
Energy: 0.861583869800105
Energy: 0.8601044858258488
Energy: 0.861583869800105
Energy: 0.8601044858258488
Energy: 0.8615838697993099
Energy: 0.993039990508836
Energy: 1.0064349277804083
Energy: 0.9930399905072459
Energy: 1.0064349277804083
Energy: 0.9930399905080409
Energy: 1.0064349277804083
Energy: 0.8202613973323046
Energy: 0.9139312916095914
Energy: 0.8202613973299195
Energy: 0.9139312916095914
Energy: 0.8202613973307147
Energy: 0.9139312916095914
Energy: 0.8832335449069546
Energy: 0.957538441667328
Energy: 0.8832335449077496
Energy: 0.957538441667328
Energy: 0.8832335449077496
Energy: 0.9575384416681232
Energy: 0.8747140890907076
Energy: 0.932816060472271
Energy: 0.8747140890907076
Energy: 0.932816060473066
Energy: 0.8747140890899127
Energy: 0.932816060473066
Energy: 0.8815975135348558
Energy: 0.7639089830462469
Energy: 0.8815975135340607
Energy: 0.7639089830462469
Energy: 0.8815975135340607
Energy: 0.7639089830462469
Energy: 0.8604530996310383
Energy: 0.9689463970035074
Energy: 0.8604530996310383
Energy: 0.9689463970027121
Energy: 0.8604530996302431
Energy: 0.9689463970035074
Energy: 0.8762210802780344
Energy: 0.870249538781891
Energy: 0.8762210802780344
Energy: 0.870249538781891
Energy: 0.8762210802780344
Energy: 0.870249538781891
Energy: 0.8751448400766036
Energy: 0.9081506944053351
Energy: 0.8751448400781936
Energy: 0.9081506944053351
Energy: 0.8751448400766036
Energy: 0.9081506944053351
Energy: 0.8900855987885229
Energy: 0.9580793945048791
Energy: 0.890085598790113
Energy: 0.9580793945048791
Energy: 0.8900855987893179
Energy: 0.9580793945048791
Energy: 0.8938529613302038
Energy: 0.7633399567639474
Energy: 0.8938529613317938
Energy: 0.7633399567616345
Energy: 0.8938529613309988
Energy: 0.7633399567639474
Energy: 0.960754967429221
Energy: 0.9612409375097225
Energy: 0.960754967430016
Energy: 0.9612409375097225
Energy: 0.960754967428426
Energy: 0.9612409375105175
Energy: 0.763940208428958
Energy: 0.8924622217001595
Energy: 0.7639402084273678
Energy: 0.8924622217009545
Energy: 0.7639402084265727
Energy: 0.8924622217001595
Energy: 1.0252154276379877
Energy: 0.7877578244044523
Energy: 1.0252154276379877
Energy: 0.7877578244044523
Energy: 1.0252154276379877
Energy: 0.7877578244052473
Energy: 0.979552029206432
Energy: 1.0249105604511055
Energy: 0.979552029206432
Energy: 1.0249105604511055
Energy: 0.979552029206432
Energy: 1.0249105604511055
Energy: 0.8391190823192193
Energy: 0.8263788313608933
Energy: 0.8391190823200142
Energy: 0.8263788313608933
Energy: 0.8391190823208095
Energy: 0.8263788313608933

minimum gb energy = 0.7596564748008469 eV
minimum distance =  2.37498853988191 Angstroms
sigma value = 33


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

Energy: 1.0851088760364271
Energy: 0.9036013920850589
Energy: 1.0851088760369314
Energy: 0.9036013920855631
Energy: 1.0851088760359227
Energy: 0.9036013920850589
Energy: 0.9461976267278454
Energy: 0.9771280958925829
Energy: 0.9461976267283497
Energy: 0.9771280958925829
Energy: 0.946197626727341
Energy: 0.9771280958925829
Energy: 1.044200370200582
Energy: 0.9786499801649682
Energy: 1.0442003702000777
Energy: 0.9786499801669857
Energy: 1.0442003702015907
Energy: 0.9786499801649682
Energy: 1.057620467733351
Energy: 0.9481065244373829
Energy: 1.057620467733351
Energy: 0.9481065244373829
Energy: 1.0576204677328465
Energy: 0.9481065244373829
Energy: 0.8918060328129329
Energy: 0.97125837094914
Energy: 0.8918060328129329
Energy: 0.97125837094914
Energy: 0.8918060328124287
Energy: 0.97125837094914
Energy: 1.1308899751152754
Energy: 1.0799354564977903
Energy: 1.13088997511578
Energy: 1.112368661682657
Energy: 1.1308899751152754
Energy: 1.101574858297217
Energy: 0.9460499093746902
Energy: 0.923989147627094
Energy: 0.9460499093741859
Energy: 0.9239891476265898
Energy: 0.9460499093716639
Energy: 0.9239891476265898
Energy: 0.9679833520176085
Energy: 1.0726658498771475
Energy: 0.9679833520191217
Energy: 1.0726658498766433
Energy: 0.9679833520176085
Energy: 1.0726658498766433
Energy: 0.9896475360148067
Energy: 1.0668186182727915
Energy: 0.9896475360137981
Energy: 1.0668186182722872
Energy: 0.9896475360132937
Energy: 1.0668186182727915
Energy: 0.9706260672669179
Energy: 1.011840521532493
Energy: 0.9706260672669179
Energy: 0.9691188056046398
Energy: 0.970626067268431
Energy: 0.9977355481572681
Energy: 0.9988091645643233
Energy: 1.0881510725128254
Energy: 0.9988091645653322
Energy: 1.088151072512321
Energy: 0.9988091645638189
Energy: 1.088151072512321
Energy: 0.9537308990875641
Energy: 0.9727714378319785
Energy: 0.9537308990875641
Energy: 0.9727714378324828
Energy: 0.9537308990880685
Energy: 0.9727714378324828
Energy: 1.07034938457683
Energy: 0.9129787939242681
Energy: 1.070349384575821
Energy: 0.912978793922755
Energy: 1.07034938457683
Energy: 0.9129787939247724
Energy: 0.9751592008109483
Energy: 1.0398211931877626
Energy: 0.9751592008104439
Energy: 1.039821193187258
Energy: 0.9751592008119572
Energy: 1.0398211931877626
Energy: 0.9822966869534864
Energy: 0.9750089759416907
Energy: 0.9822966869544951
Energy: 0.9750089759416907
Energy: 0.9822966869534864
Energy: 0.9750089759416907
Energy: 1.0575120960785347
Energy: 1.0584288870227525
Energy: 1.0575120960770217
Energy: 1.0584288870227525
Energy: 1.057512096077526
Energy: 1.0584288870227525
Energy: 0.8777541467964127
Energy: 0.9379384963143585
Energy: 0.8777541467964127
Energy: 0.9379384963143585
Energy: 0.8777541467984302
Energy: 0.9379384963143585
Energy: 1.0633488167752438
Energy: 1.0640201900732948
Energy: 1.063348816776757
Energy: 1.0640201900732948
Energy: 1.0633488167762526
Energy: 1.0640201900727904
Energy: 0.9481549397317827
Energy: 1.060642496085688
Energy: 0.9481549397322869
Energy: 1.0606424960861922
Energy: 0.9481549397317827
Energy: 1.0606424960866967
Energy: 0.9684922776706972
Energy: 0.9763539409949136
Energy: 0.9684922776706972
Energy: 0.9763539409944093
Energy: 0.9684922776712015
Energy: 0.9763539409949136
Energy: 1.059934107417595
Energy: 1.0572444709157909
Energy: 1.0599341074180995
Energy: 1.0572444709162954
Energy: 1.059934107417595
Energy: 1.0572444709152866
Energy: 0.9849887002856788
Energy: 0.8388707806840071
Energy: 0.9849887002856788
Energy: 0.8388707806860245
Energy: 0.9849887002861831
Energy: 0.8388707806855202
Energy: 0.9917993186253888
Energy: 1.0641086083143232
Energy: 0.9917993186258932
Energy: 1.0641086083143232
Energy: 0.9917993186258932
Energy: 1.0641086083143232
Energy: 1.0101023848315254
Energy: 0.9763452052217848
Energy: 1.0101023848345518
Energy: 0.9763452052217848
Energy: 1.010102384831021
Energy: 0.9763452052222891
Energy: 0.9595446903175712
Energy: 0.9703908385318128
Energy: 0.9595446903185798
Energy: 0.9703908385318128
Energy: 0.9595446903180755
Energy: 0.9703908385318128
Energy: 0.9954355945353467
Energy: 1.064731394210656
Energy: 0.9954355945353467
Energy: 1.064731394210656
Energy: 0.9954355945358511
Energy: 1.0647313942101517
Energy: 0.9461037928004421
Energy: 0.9550572266472614
Energy: 0.9461037928019551
Energy: 0.9550572266472614
Energy: 0.9461037928009465
Energy: 0.9550572266467571
Energy: 1.0605434093765314
Energy: 1.0977163074303293
Energy: 1.0605434093755226
Energy: 1.0977163074298246
Energy: 1.06054340937754
Energy: 1.0977163074298246
Energy: 0.9608494884096317
Energy: 0.9713717977548593
Energy: 0.9608494884131622
Energy: 0.9713717977553636
Energy: 0.9608494884091272
Energy: 0.9713717977548593
Energy: 0.9488519683751768
Energy: 0.9183965376636535
Energy: 0.9488519683782032
Energy: 0.9183965376641579
Energy: 0.9488519683756811
Energy: 0.9183965376636535
Energy: 1.1047921961016365
Energy: 1.0648541077472207
Energy: 1.1047921961051674
Energy: 1.0648541077472207
Energy: 1.1047921961021414
Energy: 1.0648541077472207
Energy: 0.8911911186902896
Energy: 0.9757002848121709
Energy: 0.8911911186796975
Energy: 0.9757002848126751
Energy: 0.8911911186872632
Energy: 0.9757002848116665
Energy: 1.0501292113551828
Energy: 0.9912621888692222
Energy: 1.0501292113546783
Energy: 0.9912621888707354
Energy: 1.0501292113546783
Energy: 0.9912621888687179
Energy: 0.9824434071237959
Energy: 0.9765548815984735
Energy: 0.9824434071232914
Energy: 0.9765548815984735
Energy: 0.9824434071227871
Energy: 0.9765548815979692
Energy: 0.973531857908819
Energy: 0.9787047816869828
Energy: 0.9735318579108365
Energy: 0.9787047816874871
Energy: 0.973531857908819
Energy: 0.9787047816879915
Energy: 1.0844540340855473
Energy: 0.9066028214914805
Energy: 1.0844540340865563
Energy: 0.9066028214909762
Energy: 1.0844540340855473
Energy: 0.9066028214909762
Energy: 0.9485404850751125
Energy: 0.9628694035981371
Energy: 0.9485404850751125
Energy: 0.9628694035986417
Energy: 0.9485404850751125
Energy: 0.9628694035981371

minimum gb energy = 0.8388707806840071 eV
minimum distance =  2.36041321469017 Angstroms
sigma value = 41


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

Energy: 1.173150658294906
Energy: 1.0736932609795145
Energy: 1.173150658294906
Energy: 1.0736932609808914
Energy: 1.173150658294906
Energy: 1.0736932609795145
Energy: 1.0672814689379346
Energy: 1.1290514212701173
Energy: 1.0672814689379346
Energy: 1.1290514212701173
Energy: 1.067281468939312
Energy: 1.1290514212701173
Energy: 1.2968635687471344
Energy: 1.1342216183493232
Energy: 1.2742895795721985
Energy: 1.1342216183507003
Energy: 1.2601451876479475
Energy: 1.1342216183507003
Energy: 1.1320129349474854
Energy: 1.1440195467067555
Energy: 1.1320129349474854
Energy: 1.1440195467081324
Energy: 1.132012934946108
Energy: 1.1440195467081324
Energy: 1.0642003809626517
Energy: 1.126412272095139
Energy: 1.0642003809626517
Energy: 1.1264122720965162
Energy: 1.0642003809626517
Energy: 1.1264122720965162
Energy: 1.2226365785370055
Energy: 1.185804968668198
Energy: 1.2226365785370055
Energy: 1.185804968668198
Energy: 1.2226365785356286
Energy: 1.185804968668198
Energy: 1.1763287367552295
Energy: 1.086071864004403
Energy: 1.1763287367566067
Energy: 1.086071864003026
Energy: 1.1763287367552295
Energy: 1.086071864004403
Energy: 1.1250376570233926
Energy: 1.1759482189544448
Energy: 1.1250376570233926
Energy: 1.1759482189558217
Energy: 1.1250376570233926
Energy: 1.1759482189544448
Energy: 1.0720535434849354
Energy: 1.064655819797897
Energy: 1.0720535434849354
Energy: 1.064655819797897
Energy: 1.0720535434849354
Energy: 1.064655819797897
Energy: 1.1745686631821324
Energy: 1.077307035411317
Energy: 1.1745686631835095
Energy: 1.0773070354085628
Energy: 1.1745686631821324
Energy: 1.0773070354099399
Energy: 1.07026980512385
Energy: 1.1308246007103302
Energy: 1.07026980512385
Energy: 1.1308246007089533
Energy: 1.07026980512385
Energy: 1.1308246007117073
Energy: 1.1285186619337708
Energy: 1.129864891882403
Energy: 1.1285186619310166
Energy: 1.129864891882403
Energy: 1.1285186619310166
Energy: 1.129864891882403
Energy: 1.1849460899059505
Energy: 1.2112228303115393
Energy: 1.1849460899045734
Energy: 1.2112228303101624
Energy: 1.1849460899045734
Energy: 1.2112228303101624
Energy: 1.0714023625262437
Energy: 1.1281002786106018
Energy: 1.0714023625262437
Energy: 1.1281002786106018
Energy: 1.0714023625262437
Energy: 1.1281002786106018

minimum gb energy = 1.0642003809626517 eV
minimum distance =  2.33875132048269 Angstroms
sigma value = 11


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

Energy: 1.2953669747487446
Energy: 1.2834925974942728
Energy: 1.2953669747493497
Energy: 1.2834925974942728
Energy: 1.2953669747493497
Energy: 1.2834925974942728
Energy: 1.1371164468105353
Energy: 1.2725941888386663
Energy: 1.1371164468105353
Energy: 1.2725941888386663
Energy: 1.1371164468117454
Energy: 1.2725941888392713
Energy: 1.3473976274816357
Energy: 1.2441409800534062
Energy: 1.3473976274810309
Energy: 1.2441409800534062
Energy: 1.2619157121033855
Energy: 1.2441409800528014
Energy: 1.24338323700056
Energy: 1.186069486507103
Energy: 1.2433832370011648
Energy: 1.186069486507103
Energy: 1.2433832370011648
Energy: 1.186069486507103
Energy: 1.2644211556048917
Energy: 1.2513061202279046
Energy: 1.2644211556048917
Energy: 1.2513061202279046
Energy: 1.2644211556048917
Energy: 1.2513061202279046
Energy: 1.196951166100585
Energy: 1.2734425690553721
Energy: 1.196951166100585
Energy: 1.2734425690553721
Energy: 1.196951166100585
Energy: 1.2734425690553721
Energy: 1.2436873735551042
Energy: 1.241154665510017
Energy: 1.243687373555709
Energy: 1.241154665510622
Energy: 1.243687373555709
Energy: 1.241154665510017
Energy: 1.2124545371327442
Energy: 1.1974879741718738
Energy: 1.2124545371321391
Energy: 1.1974879741712687
Energy: 1.2124545371327442
Energy: 1.1974879741706639
Energy: 1.2113229767862137
Energy: 1.1980789232555284
Energy: 1.2113229767862137
Energy: 1.1980789232555284
Energy: 1.2113229767862137
Energy: 1.1980789232555284
Energy: 1.2238548724877016
Energy: 1.2529914880949944
Energy: 1.2238548724877016
Energy: 1.2529914880949944
Energy: 1.2238548724883067
Energy: 1.2529914880949944
Energy: 1.1875927472155337
Energy: 1.2713324935492496
Energy: 1.187592747216139
Energy: 1.2713324935492496
Energy: 1.1875927472155337
Energy: 1.2713324935492496
Energy: 1.2365172744716009
Energy: 1.293252654633096
Energy: 1.2365172744722057
Energy: 1.293252654633701
Energy: 1.2365172744716009
Energy: 1.293252654633096
Energy: 1.244574395438667
Energy: 1.219439310961618
Energy: 1.244574395437457
Energy: 1.219439310961618
Energy: 1.2445743954380621
Energy: 1.219439310961618
Energy: 1.2071533571201283
Energy: 1.2402964102419567
Energy: 1.2071533571207331
Energy: 1.2402964102413518
Energy: 1.2071533571201283
Energy: 1.2402964102413518
Energy: 1.1762692207405017
Energy: 1.1816273347719761
Energy: 1.1762692207405017
Energy: 1.1816273347719761
Energy: 1.1762692207405017
Energy: 1.1816273347719761
Energy: 1.2429145664728811
Energy: 1.2374286586023755
Energy: 1.2429145664734862
Energy: 1.2374286586023755
Energy: 1.2429145664728811
Energy: 1.2374286586023755
Energy: 1.1716433174822587
Energy: 1.2562289772511455
Energy: 1.1716433174828638
Energy: 1.2562289772511455
Energy: 1.1716433174828638
Energy: 1.2562289772511455
Energy: 1.2801365538625276
Energy: 1.2920562108999682
Energy: 1.2801365538619227
Energy: 1.2920562108993634
Energy: 1.280136553863105
Energy: 1.2920562108999682
Energy: 1.1985716451970296
Energy: 1.1815728809225337
Energy: 1.1985716451982393
Energy: 1.1815728809225337
Energy: 1.1985716451976347
Energy: 1.1815728809225337
Energy: 1.2309799889976716
Energy: 1.2474172285234497
Energy: 1.2309799889982767
Energy: 1.2474172285228446
Energy: 1.2309799889976716
Energy: 1.2474172285228446
Energy: 1.1417925612736928
Energy: 1.1769560338822223
Energy: 1.1417925612742976
Energy: 1.1769560338822223
Energy: 1.1417925612736928
Energy: 1.1769560338822223
Energy: 1.2794543037669341
Energy: 1.2931705848476145
Energy: 1.279454303767539
Energy: 1.2931705848476145
Energy: 1.279454303767539
Energy: 1.2931705848476145
Energy: 1.2220151431960917
Energy: 1.2445330786383602
Energy: 1.2220151431979065
Energy: 1.244533078638965
Energy: 1.2220151431979065
Energy: 1.244533078638965
Energy: 1.2768753883141222
Energy: 1.2686876060090708
Energy: 1.276875388313517
Energy: 1.2686876060090708
Energy: 1.276875388314727
Energy: 1.2686876060084658
Energy: 1.2174119049032428
Energy: 1.235858907708334
Energy: 1.2174119049038477
Energy: 1.235858907708334
Energy: 1.2174119049038477
Energy: 1.235858907708334
Energy: 1.2041816150043896
Energy: 1.2622540479512172
Energy: 1.2041816150037845
Energy: 1.2622540479512172
Energy: 1.2041816150043896
Energy: 1.2622540479512172
Energy: 1.1978421742252987
Energy: 1.2616542227455803
Energy: 1.1978421742252987
Energy: 1.2616542227449754
Energy: 1.1978421742246936
Energy: 1.2616542227449754
Energy: 1.2573026212371878
Energy: 1.176199725492166
Energy: 1.257302621236583
Energy: 1.176199725492166
Energy: 1.257302621236583
Energy: 1.176199725492166
Energy: 1.207020281383348
Energy: 1.2712654129144703
Energy: 1.207020281383348
Energy: 1.2712654129144703
Energy: 1.207020281383348
Energy: 1.2712654129144703
Energy: 1.1727693510265786
Energy: 1.1352528078351618
Energy: 1.1727693510265786
Energy: 1.1352528078351618
Energy: 1.1727693510265786
Energy: 1.1352528078351618
Energy: 1.2301642118994098
Energy: 1.2764665824583632
Energy: 1.2301642118988048
Energy: 1.2764665824583632
Energy: 1.2301642118994098
Energy: 1.2764665824583632

minimum gb energy = 1.1352528078351618 eV
minimum distance =  2.3399056889193 Angstroms
sigma value = 57


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

Energy: 1.1565251384678739
Energy: 1.0914373700547162
Energy: 1.1565251384689506
Energy: 1.0914373700525632
Energy: 1.1565251384689506
Energy: 1.0914373700525632
Energy: 1.2271650887791423
Energy: 1.3341900307720114
Energy: 1.2271650887791423
Energy: 1.3341900307709347
Energy: 1.2271650887791423
Energy: 1.3341900307709347
Energy: 1.2415290587752323
Energy: 1.2362322664738716
Energy: 1.241529058778462
Energy: 1.2362322664738716
Energy: 1.241529058778462
Energy: 1.2362322664749479
Energy: 1.1670952004289818
Energy: 1.2544241221861097
Energy: 1.1670952004300585
Energy: 1.6691067208528994
Energy: 1.1670952004300585
Energy: 1.2551428883679612
Energy: 1.2414313217717492
Energy: 1.2362039042673785
Energy: 1.2414313217728257
Energy: 1.2362039042673785
Energy: 1.2414313217674429
Energy: 1.2362039042673785
Energy: 1.226678297799831
Energy: 1.1390198563618552
Energy: 1.2266782978019843
Energy: 1.139019856360779
Energy: 1.2266782978041373
Energy: 1.139019856360779
Energy: 1.1565251384689506
Energy: 1.0914373700514866
Energy: 1.1565251384689506
Energy: 1.0914373700514866
Energy: 1.1565251384689506
Energy: 1.0914373700504099
Energy: 1.2271650887791423
Energy: 1.3341900307720114
Energy: 1.2271650887791423
Energy: 1.3341900307720114
Energy: 1.2271650887769894
Energy: 1.3341900307687815
Energy: 1.2415290587687733
Energy: 1.2362322664738716
Energy: 1.2415290587709262
Energy: 1.2362322664738716
Energy: 1.2415290587752323
Energy: 1.2362322664738716
Energy: 1.1670952004289818
Energy: 1.1922747817695782
Energy: 1.1670952004289818
Energy: 1.2527509949419258
Energy: 1.1670952004279056
Energy: 1.193494719430576
Energy: 1.2414313217706727
Energy: 1.236203904268455
Energy: 1.2414313217739021
Energy: 1.236203904268455
Energy: 1.2414313217717492
Energy: 1.236203904268455
Energy: 1.2266782978052138
Energy: 1.139019856360779
Energy: 1.2266782978041373
Energy: 1.139019856360779
Energy: 1.2266782978052138
Energy: 1.139019856360779
Energy: 1.1565251384689506
Energy: 1.0914373700525632
Energy: 1.1565251384689506
Energy: 1.0914373700536395
Energy: 1.1565251384689506
Energy: 1.0914373700525632
Energy: 1.2271650887802188
Energy: 1.3341900307741643
Energy: 1.2271650887802188
Energy: 1.3341900307730876
Energy: 1.2271650887780658
Energy: 1.3341900307709347
Energy: 1.2415290587773857
Energy: 1.2362322664738716
Energy: 1.2415290587730794
Energy: 1.2362322664738716
Energy: 1.2415290587666201
Energy: 1.2362322664738716
Energy: 1.167095200431135
Energy: 1.1196570134973245
Energy: 1.1670952004300585
Energy: 1.2527509949430025
Energy: 1.1670952004300585
Energy: 1.193494719428423
Energy: 1.2414313217706727
Energy: 1.2362039042673785
Energy: 1.2414313217717492
Energy: 1.2362039042673785
Energy: 1.2414313217717492
Energy: 1.2362039042673785

minimum gb energy = 1.0914373700504099 eV
minimum distance =  2.36068024370245 Angstroms
sigma value = 9


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

Energy: 1.2437072119647756
Energy: 1.324027110438657
Energy: 1.2437072119638966
Energy: 1.324027110438657
Energy: 1.2437072119647756
Energy: 1.324027110438657
Energy: 1.225306653124601
Energy: 1.3038109356745489
Energy: 1.225306653124601
Energy: 1.3038109356745489
Energy: 1.225306653124601
Energy: 1.3038109356745489
Energy: 1.2381606456027754
Energy: 1.2291237782381483
Energy: 1.2906855245291515
Energy: 1.2291237782381483
Energy: 1.2278493283960583
Energy: 1.2291237782381483
Energy: 1.213017339869305
Energy: 1.3449815974908268
Energy: 1.213017339869305
Energy: 1.3449815974908268
Energy: 1.213017339869305
Energy: 1.3449815974908268
Energy: 1.2150255202363238
Energy: 1.3067984754869342
Energy: 1.215025520237203
Energy: 1.3067984754869342
Energy: 1.215025520237203
Energy: 1.3067984754869342
Energy: 1.2450686705504406
Energy: 1.214374103343124
Energy: 1.2450686705504406
Energy: 1.214374103343124
Energy: 1.2450686705504406
Energy: 1.2143741033422448
Energy: 1.2113054304955468
Energy: 1.2484077610361934
Energy: 1.211305430494668
Energy: 1.2484077610361934
Energy: 1.211305430494668
Energy: 1.2484077610361934
Energy: 1.2242548758489773
Energy: 1.2448874332297482
Energy: 1.2242548758489773
Energy: 1.2448874332297482
Energy: 1.2242548758489773
Energy: 1.2448874332297482
Energy: 1.3140081735701956
Energy: 1.2928738492004057
Energy: 1.3140081735701956
Energy: 1.2928738492012846
Energy: 1.3140081735701956
Energy: 1.2928738492012846
Energy: 1.214592966704358
Energy: 1.2211665950241584
Energy: 1.2145929667052369
Energy: 1.2211665950241584
Energy: 1.214592966704358
Energy: 1.2211665950241584
Energy: 1.2118105777728618
Energy: 1.2236862139440898
Energy: 1.2118105777719828
Energy: 1.2236862139440898
Energy: 1.2118105777719828
Energy: 1.2236862139440898
Energy: 1.3032116644183374
Energy: 1.2380796157396454
Energy: 1.3032116644192167
Energy: 1.2380796157396454
Energy: 1.3032116644192167
Energy: 1.2380796157396454
Energy: 1.2331983944477936
Energy: 1.2693378670695323
Energy: 1.2331983944477936
Energy: 1.2693378670695323
Energy: 1.2331983944477936
Energy: 1.2693378670704112
Energy: 1.2229752488662096
Energy: 1.226315681744315
Energy: 1.2229752488679675
Energy: 1.226315681744315
Energy: 1.2229752488670884
Energy: 1.226315681744315
Energy: 1.2591296919114834
Energy: 1.23175665492285
Energy: 1.2591296919123622
Energy: 1.231756654924608
Energy: 1.310649271267596
Energy: 1.23175665492285
Energy: 1.2549153425385575
Energy: 1.2832335417079674
Energy: 1.2549153425376787
Energy: 1.2832335417088463
Energy: 1.2549153425385575
Energy: 1.2832335417088463
Energy: 1.306833297161148
Energy: 1.2827497812916286
Energy: 1.306833297161148
Energy: 1.2827497812907498
Energy: 1.306833297161148
Energy: 1.2827497812916286
Energy: 1.4252913729123267
Energy: 1.2306665037146458
Energy: 1.4252913729123267
Energy: 1.2306665037146458
Energy: 1.4252913729132055
Energy: 1.2306665037146458
Energy: 1.2228832604841726
Energy: 1.2323041269131767
Energy: 1.2228832604832935
Energy: 1.2323041269131767
Energy: 1.2228832604832935
Energy: 1.2323041269140558
Energy: 1.294598393626278
Energy: 1.2632751152502395
Energy: 1.294598393628036
Energy: 1.2632751152502395
Energy: 1.2945983936271572
Energy: 1.2632751152502395
Energy: 1.2984529488346004
Energy: 1.2283171599557685
Energy: 1.2984529488346004
Energy: 1.2283171599557685
Energy: 1.2984529488346004
Energy: 1.2283171599557685

minimum gb energy = 1.211305430494668 eV
minimum distance =  2.33124865956595 Angstroms
sigma value = 27


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

Energy: 1.2396527965409823
Energy: 1.192995263182445
Energy: 1.2396527965402413
Energy: 1.192995263183186
Energy: 1.2396527965402413
Energy: 1.192995263183186
Energy: 1.235799132206475
Energy: 1.2036683323541224
Energy: 1.235799132205734
Energy: 1.2036683323541224
Energy: 1.235799132205734
Energy: 1.2036683323541224
Energy: 1.1645976364297899
Energy: 1.1917698776772967
Energy: 1.1645976364297899
Energy: 1.1917698776772967
Energy: 1.164597636430531
Energy: 1.1917698776772967
Energy: 1.1425232519816844
Energy: 1.1580342588564239
Energy: 1.1425232519809434
Energy: 1.1580342588564239
Energy: 1.1425232519809434
Energy: 1.1580342588564239
Energy: 1.1411524471722425
Energy: 1.2300855522768903
Energy: 1.1411524471737242
Energy: 1.2300855522768903
Energy: 1.1411524471729833
Energy: 1.2300855522775977
Energy: 1.232990467639844
Energy: 1.230721692442704
Energy: 1.2329904676405847
Energy: 1.230721692441963
Energy: 1.2329904676405847
Energy: 1.230721692441963
Energy: 1.1577105159295749
Energy: 1.2215411919415455
Energy: 1.1577105159310568
Energy: 1.2215411919430275
Energy: 1.1577105159310568
Energy: 1.2215411919422867
Energy: 1.1978368389128655
Energy: 1.1649117288366766
Energy: 1.1978368389128655
Energy: 1.1649117288366766
Energy: 1.1978368389121246
Energy: 1.1649117288374178
Energy: 1.2101714085943172
Energy: 1.1491597066913297
Energy: 1.2101714085943172
Energy: 1.1491597066913297
Energy: 1.2101714085950581
Energy: 1.1491597066905888
Energy: 1.263287315407484
Energy: 1.2190056803004947
Energy: 1.263287315406743
Energy: 1.2190056803012357
Energy: 1.263287315407484
Energy: 1.2190056803012357
Energy: 1.2354074846659897
Energy: 1.2215509521813053
Energy: 1.235407484665249
Energy: 1.221550952182046
Energy: 1.2354074846659897
Energy: 1.2215509521813053
Energy: 1.2212626063319645
Energy: 1.1584855658949276
Energy: 1.2212626063304826
Energy: 1.1584855658949276
Energy: 1.2212626063312237
Energy: 1.1584855658941866
Energy: 1.1920872077030569
Energy: 1.1761285891087478
Energy: 1.1920872077030569
Energy: 1.1761285891080069
Energy: 1.1920872077030569
Energy: 1.1761285891080069
Energy: 1.1428873294701587
Energy: 1.2160316232193988
Energy: 1.1428873294708999
Energy: 1.2160316232201398
Energy: 1.1428873294701587
Energy: 1.2160316232193988
Energy: 1.229033167186296
Energy: 1.2299086458210433
Energy: 1.2290331671877441
Energy: 1.2299086458225252
Energy: 1.2290331671870371
Energy: 1.2299086458203023
Energy: 1.1950050881222412
Energy: 1.2968705244179446
Energy: 1.1950050881215004
Energy: 1.2968705244179446
Energy: 1.1950050881222412
Energy: 1.2968705244172039
Energy: 1.1125119295953414
Energy: 1.165369524905691
Energy: 1.1125119295953414
Energy: 1.165369524905691
Energy: 1.1125119295953414
Energy: 1.165369524905691
Energy: 1.159326628101886
Energy: 1.2017656085901711
Energy: 1.1593266281011452
Energy: 1.2017656085894302
Energy: 1.1593266281011452
Energy: 1.2017656085901711
Energy: 1.1301620842293385
Energy: 1.1870845851828238
Energy: 1.130162084226375
Energy: 1.18708458517986
Energy: 1.1301620841937743
Energy: 1.1870845851813419
Energy: 1.2396527965402413
Energy: 1.1929952631802225
Energy: 1.2396527965402413
Energy: 1.1929952631779996
Energy: 1.2396527965402413
Energy: 1.1929952631765177
Energy: 1.2357991322035111
Energy: 1.2036683323511583
Energy: 1.2357991322035111
Energy: 1.2036683323518995
Energy: 1.2357991322035111
Energy: 1.2036683323511583
Energy: 1.1645976364320128
Energy: 1.1917698776780377
Energy: 1.164597636431272
Energy: 1.1917698776772967
Energy: 1.164597636431272
Energy: 1.1917698776780377
Energy: 1.1425232519802027
Energy: 1.1580342588556831
Energy: 1.1425232519809434
Energy: 1.1580342588556831
Energy: 1.1425232519809434
Energy: 1.1580342588556831
Energy: 1.1411524471729833
Energy: 1.2300855522761494
Energy: 1.1411524471737242
Energy: 1.2300855522761494
Energy: 1.1411524471737242
Energy: 1.2300855522754086
Energy: 1.2329904676428076
Energy: 1.230721692444186
Energy: 1.2329904676428076
Energy: 1.230721692444186
Energy: 1.2329904676428076
Energy: 1.230721692444186

minimum gb energy = 1.1125119295953414 eV
minimum distance =  2.33257851839139 Angstroms
sigma value = 19


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

Energy: 1.1485320353617208
Energy: 1.3179403209219158
Energy: 1.1485320353617208
Energy: 1.3179403209219158
Energy: 1.1485320353617208
Energy: 1.3179403209219158
Energy: 1.226254668554527
Energy: 1.1725946846267856
Energy: 1.2262546685551665
Energy: 1.1725946846267856
Energy: 1.2262546685551665
Energy: 1.1725946846267856
Energy: 1.3887501461196505
Energy: 1.1224832931181508
Energy: 1.3016024637739587
Energy: 1.1224832931187905
Energy: 1.3016024637752377
Energy: 1.1224832931187905
Energy: 1.1399440954572755
Energy: 1.259043312457887
Energy: 1.1399440954579152
Energy: 1.259043312457887
Energy: 1.1399440954579152
Energy: 1.259043312457887
Energy: 1.1405553047068921
Energy: 1.2374422165000127
Energy: 1.1405553047088108
Energy: 1.2374422165006522
Energy: 1.1405553047088108
Energy: 1.2374422165006522
Energy: 1.249034006734563
Energy: 1.1296285402775945
Energy: 1.2490340067352026
Energy: 1.1296285402775945
Energy: 1.249034006734563
Energy: 1.1296285402775945
Energy: 1.1426338979189832
Energy: 1.386547112727446
Energy: 1.1426338979189832
Energy: 1.3865471127280855
Energy: 1.1426338979183437
Energy: 1.386547112727446
Energy: 1.186591338749084
Energy: 1.3807822937980831
Energy: 1.186591338749084
Energy: 1.3807822937980831
Energy: 1.186591338749084
Energy: 1.3807822937980831
Energy: 1.2961808529949619
Energy: 1.1210872183091773
Energy: 1.2961808529956016
Energy: 1.1210872183091773
Energy: 1.2961808529956016
Energy: 1.1210872183091773
Energy: 1.2167045082792292
Energy: 1.2418680985389599
Energy: 1.2167045082792292
Energy: 1.2418680985389599
Energy: 1.2167045082785894
Energy: 1.2418680985389599
Energy: 1.1224612966805665
Energy: 1.3800580215276588
Energy: 1.1224612966799559
Energy: 1.3800580215282983
Energy: 1.1224612966805665
Energy: 1.3800580215282983
Energy: 1.2540029722752117
Energy: 1.1445856914568955
Energy: 1.2540029722758512
Energy: 1.144585691457535
Energy: 1.2540029722758512
Energy: 1.144585691456256
Energy: 1.239391236917326
Energy: 1.1827983048144215
Energy: 1.2393912369179654
Energy: 1.1827983048144215
Energy: 1.239391236917326
Energy: 1.1827983048144215
Energy: 1.126962131359185
Energy: 1.2562280340166896
Energy: 1.1269621313585456
Energy: 1.2562280340173293
Energy: 1.126962131359185
Energy: 1.2562280340166896
Energy: 1.2202695554497145
Energy: 1.1553611505815238
Energy: 1.220269555450354
Energy: 1.1553611505815238
Energy: 1.2202695554497145
Energy: 1.1553611505815238
Energy: 1.342517522774761
Energy: 1.1215155959700913
Energy: 1.3425175227741213
Energy: 1.1215155959707308
Energy: 1.3425175227741213
Energy: 1.1215155959700913
Energy: 1.1536517362451728
Energy: 1.2631962275048818
Energy: 1.153651736244533
Energy: 1.2631962275036024
Energy: 1.153651736244533
Energy: 1.2631962275042423
Energy: 1.1934438120565005
Energy: 1.2439686780679167
Energy: 1.1934438120565005
Energy: 1.2439686780685562
Energy: 1.1934438120565005
Energy: 1.2439686780679167
Energy: 1.225409014774001
Energy: 1.1281331711127027
Energy: 1.225409014774001
Energy: 1.1281331711127027
Energy: 1.225409014774001
Energy: 1.1281331711127027
Energy: 1.1729520377696832
Energy: 1.1954504680830802
Energy: 1.1729520377696832
Energy: 1.1954504680837197
Energy: 1.1729520377703226
Energy: 1.1954504680830802
Energy: 1.1363100056920414
Energy: 1.2319086246610091
Energy: 1.1363100056920414
Energy: 1.2319086246622883
Energy: 1.1363100056933206
Energy: 1.2319086246616486
Energy: 1.2991685695326798
Energy: 1.1414867302732217
Energy: 1.2991685695326798
Energy: 1.1414867302738612
Energy: 1.2991685695326798
Energy: 1.1414867302732217
Energy: 1.254310880001008
Energy: 1.1971382954075
Energy: 1.254310880001008
Energy: 1.1971382954081398
Energy: 1.254310880001008
Energy: 1.1971382954075
Energy: 1.1652015210861935
Energy: 1.2184060944632091
Energy: 1.1652015210861935
Energy: 1.218406094466407
Energy: 1.1652015210861935
Energy: 1.2184060944657675
Energy: 1.2059399881674366
Energy: 1.1414849113614025
Energy: 1.2059399881674366
Energy: 1.1414849113614025
Energy: 1.2059399881674366
Energy: 1.1414849113614025
Energy: 1.260568963668718
Energy: 1.176851309069721
Energy: 1.260568963668718
Energy: 1.1768513090690813
Energy: 1.2605689636693576
Energy: 1.176851309069721
Energy: 1.1348006390220116
Energy: 1.242429916253967
Energy: 1.1348006390220116
Energy: 1.242429916253967
Energy: 1.134800639022651
Energy: 1.2424299162533274
Energy: 1.2268460108984456
Energy: 1.157772334958286
Energy: 1.2268460108984456
Energy: 1.157772334958286
Energy: 1.2268460108997248
Energy: 1.157772334958286
Energy: 1.2366755412527566
Energy: 1.1284047988916086
Energy: 1.2366755412533963
Energy: 1.1284047988916086
Energy: 1.2366755412527566
Energy: 1.1284047988916086

minimum gb energy = 1.1210872183091773 eV
minimum distance =  2.32665386357529 Angstroms
sigma value = 101


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

Energy: 1.1147777964982002
Energy: 1.2590916152563894
Energy: 1.1147777964982002
Energy: 1.2590916152563894
Energy: 1.1147777964982002
Energy: 1.2590916152563894
Energy: 1.2132618846136403
Energy: 1.1281763660605937
Energy: 1.213261884613078
Energy: 1.1281763660605937
Energy: 1.213261884613078
Energy: 1.1281763660600315
Energy: 1.2628820433390813
Energy: 1.084796782627334
Energy: 1.262882043338519
Energy: 1.0847967826278964
Energy: 1.2628820433390813
Energy: 1.084796782627334
Energy: 1.0852263607814605
Energy: 1.3109482229726144
Energy: 1.0852263607820227
Energy: 1.2414873259359638
Energy: 1.0852263607814605
Energy: 1.1931870187873537
Energy: 1.0919633557027064
Energy: 1.1919130528029518
Energy: 1.0919633557015822
Energy: 1.1919130528029518
Energy: 1.0919633557010198
Energy: 1.191913052803514
Energy: 1.2518514041673858
Energy: 1.0692859356158533
Energy: 1.2518514041673858
Energy: 1.0692859356158533
Energy: 1.2518514041668236
Energy: 1.0692859356158533
Energy: 1.1021679546506487
Energy: 1.2190504567142122
Energy: 1.1021679546495242
Energy: 1.219050456717023
Energy: 1.1021679546500864
Energy: 1.219050456716461
Energy: 1.0855498247290323
Energy: 1.3628969045736496
Energy: 1.0855498247295943
Energy: 1.384980371482605
Energy: 1.0855498247295943
Energy: 1.3490180383297512
Energy: 1.252242978237031
Energy: 1.071514841355023
Energy: 1.2522429782364688
Energy: 1.071514841355023
Energy: 1.252242978237031
Energy: 1.071514841355023
Energy: 1.1473971677610584
Energy: 1.1725473408111293
Energy: 1.1473971677610584
Energy: 1.1734526807693975
Energy: 1.1473971677610584
Energy: 1.165219742203417
Energy: 1.0818052034266876
Energy: 1.350233450180613
Energy: 1.0818052034266876
Energy: 1.350233450180051
Energy: 1.0818052034261254
Energy: 1.350233450180051
Energy: 1.2395512086109457
Energy: 1.1275555226933491
Energy: 1.2395512086103835
Energy: 1.1275555226927871
Energy: 1.2395512086103835
Energy: 1.1275555226927871
Energy: 1.2074900051875215
Energy: 1.0849275442027626
Energy: 1.2074900051880837
Energy: 1.0849275442027626
Energy: 1.2074900051875215
Energy: 1.0849275442033246
Energy: 1.121286852697083
Energy: 1.216497211372148
Energy: 1.121286852697645
Energy: 1.216497211383954
Energy: 1.121286852697083
Energy: 1.2164972113570194
Energy: 1.206677011192246
Energy: 1.1713603611723937
Energy: 1.2066770111933705
Energy: 1.1713603611723937
Energy: 1.206677011192246
Energy: 1.1713603611723937
Energy: 1.2626877583019354
Energy: 1.0881153236938617
Energy: 1.2626877583019354
Energy: 1.0881153236938617
Energy: 1.2626877583019354
Energy: 1.0881153236938617
Energy: 1.0824607223502574
Energy: 1.2479261463207698
Energy: 1.0824607223485707
Energy: 1.2479261463207698
Energy: 1.0824607223496951
Energy: 1.2479261463207698
Energy: 1.076859395373133
Energy: 1.2424724999765069
Energy: 1.076859395373133
Energy: 1.2424724999770689
Energy: 1.0768593953725707
Energy: 1.2424724999770689
Energy: 1.250081844392018
Energy: 1.071725548671114
Energy: 1.2500818443892072
Energy: 1.0717255486722383
Energy: 1.2500818443903317
Energy: 1.0717255486722383
Energy: 1.1255318423393772
Energy: 1.2248037887873977
Energy: 1.1255318423393772
Energy: 1.2248037887873977
Energy: 1.1255318423405014
Energy: 1.2248037887868355
Energy: 1.102227274701303
Energy: 1.353599214059126
Energy: 1.1022272747007407
Energy: 1.353599214059126
Energy: 1.1022272747007407
Energy: 1.353599214058564
Energy: 1.243269925138583
Energy: 1.0696849474837604
Energy: 1.2432699251397075
Energy: 1.0696849474831984
Energy: 1.243269925138583
Energy: 1.0696849474831984
Energy: 1.2048579916731907
Energy: 1.0695232180485772
Energy: 1.204857991673753
Energy: 1.0695232180485772
Energy: 1.2048579916731907
Energy: 1.0695232180485772
Energy: 1.0848670049613138
Energy: 1.2545415581714254
Energy: 1.0848670049618758
Energy: 1.254541558170301
Energy: 1.0848670049607514
Energy: 1.254541558170301
Energy: 1.1616533022240862
Energy: 1.1049843238184416
Energy: 1.161653302246012
Energy: 1.1049843238184416
Energy: 1.161653302220713
Energy: 1.1049843238173171
Energy: 1.2047203501168877
Energy: 1.0884253819742409
Energy: 1.2047203501180122
Energy: 1.0884253819742409
Energy: 1.2047203501168877
Energy: 1.0884253819742409
Energy: 1.1151043293456313
Energy: 1.2061935050777437
Energy: 1.1151043293473177
Energy: 1.2061935050777437
Energy: 1.1151043293467555
Energy: 1.2061935050783057
Energy: 1.1157891429563611
Energy: 1.1722962426494843
Energy: 1.1157891429563611
Energy: 1.1722962426506087
Energy: 1.115789142955799
Energy: 1.172296242648922
Energy: 1.2547354234962176
Energy: 1.0845634592866775
Energy: 1.2547354234967798
Energy: 1.0845634592866775
Energy: 1.2547354234967798
Energy: 1.08456345928724
Energy: 1.0770267626689434
Energy: 1.2327566635476248
Energy: 1.0770267626672567
Energy: 1.2327566635470624
Energy: 1.07702676267569
Energy: 1.2327566635476248
Energy: 1.0826580130203518
Energy: 1.1769476701667603
Energy: 1.0826580130186654
Energy: 1.1769476701673225
Energy: 1.0826580130197898
Energy: 1.1769476701667603
Energy: 1.2061705217760237
Energy: 1.0698731068391176
Energy: 1.2061705217760237
Energy: 1.0698731068396796
Energy: 1.2061705217754615
Energy: 1.0698731068396796
Energy: 1.2044430962896928
Energy: 1.0697299338367028
Energy: 1.2044430962891304
Energy: 1.0697299338361406
Energy: 1.2044430962885684
Energy: 1.0697299338367028

minimum gb energy = 1.0692859356158533 eV
minimum distance =  2.34176351275994 Angstroms
sigma value = 33


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

Energy: 0.020504192224942888
Energy: 1.2299704597266294
Energy: 0.020504192224942888
Energy: 1.2299704597256955
Energy: 0.020504192224942888
Energy: 1.2299704597261623
Energy: 0.0228913501532377
Energy: 0.35853345987908497
Energy: 0.0228913501532377
Energy: 0.35853345987908497
Energy: 0.0228913501532377
Energy: 0.35853345987861784
Energy: 2.215520404235372
Energy: 0.3595359167468305
Energy: 1.2299868631622544
Energy: 0.35953591674911417
Energy: 1.2299868632220452
Energy: 0.35953591674729757
Energy: 0.0228913501532377
Energy: 0.35853345987950025
Energy: 0.0228913501532377
Energy: 0.3585334598799673
Energy: 0.0228913501532377
Energy: 0.3585334598799673

minimum gb energy = 0.020504192224942888 eV
minimum distance =  2.485599017267 Angstroms
sigma value = 1