Model name: model_name=EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005
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=3.519999995827675
cohesive_energy=4.450349977830043
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0369753289349198e-19, 2.89005427770822e-19, 3.53933635863672e-19, 4.0663403188583394e-19, 4.5081245039175e-19, 4.88561334065424e-19, 5.21207285159808e-19, 5.496587378263799e-19, 5.7457258448508e-19, 5.9644229553918e-19, 6.15657199910742e-19, 6.32518506806958e-19, 6.47277757959366e-19, 6.60141634153752e-19, 6.712815682899539e-19, 6.808449606183e-19, 6.8895998526951e-19, 6.957323859014279e-19, 7.01267906171898e-19, 7.05641848382718e-19, 7.089327191889539e-19, 7.112110143625019e-19, 7.12537616615454e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.11025161872958e-19, 7.0834632254090995e-19, 7.041149740505159e-19, 6.98906297813382e-19, 6.928180266041819e-19, 6.85544144685822e-19, 6.766937209596059e-19, 6.658005220250399e-19, 6.52308592590126e-19, 6.35516179289172e-19, 6.147615831723359e-19, 5.8911233743863e-19, 5.5727708772105e-19, 5.176200116762819e-19, 4.683226388247359e-19, 4.0889470311640795e-19, 3.3612704475339596e-19, 2.4568577594072997e-19, 1.338798021490008e-19, -6.7185034099502396e-21, -1.8409490177650198e-19, -4.1072759318570394e-19, -7.021491033205979e-19, -1.0703132720474579e-18, -1.54058095330587e-18, -2.1347401471415997e-18, -2.8258550599838397e-18]
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: 0.018101997715266552
Energy: 0.6048668254837003
Energy: 0.018556773549153097
Energy: 0.018329349471673737
Energy: 0.6044816552266357
Energy: 0.01846396000011821
Energy: 0.6048668254866035
Energy: 0.1529416523572839
Energy: 0.15299226549694853
Energy: 0.15323357720384237
Energy: 0.1527923096431
Energy: 0.1530707069764303
Energy: 0.01855677354882233
Energy: 0.15299226549661776
Energy: 0.15392170856393994
Energy: 0.018583440401529313
Energy: 0.15274565813801189
Energy: 0.1536132197511067
Energy: 0.01832934947296004
Energy: 0.15323357720285008
Energy: 0.01858344039700887
Energy: 0.018443340666716327
Energy: 0.15291058883943923
Energy: 0.01846836376489198
Energy: 0.6044816552288775
Energy: 0.15279230964600338
Energy: 0.15274565813639482
Energy: 0.15291058883977
Energy: 0.1528613041883679
Energy: 0.15274739080740093
Energy: 0.018463960000448972
Energy: 0.15307070697705505
Energy: 0.1536132197511067
Energy: 0.018468363757798926
Energy: 0.15274739079964633
Energy: 0.018472330081401003

minimum gb energy = 0.018101997715266552 eV
minimum distance =  2.48639275382909 Angstroms
sigma value = 1


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

Energy: 1.6501766109835603
Energy: 1.1053844416032137
Energy: 1.132316879782355
Energy: 1.087870579711587
Energy: 1.1039338074577425
Energy: 1.1466641463331688
Energy: 1.4938219217926267
Energy: 1.0938203846769667
Energy: 1.1004861226264997
Energy: 1.090240846270981
Energy: 1.1109002249658175
Energy: 1.0911616425094697
Energy: 1.3228563383600997
Energy: 1.1142595296486253
Energy: 1.1032738240694597
Energy: 1.0914095537469182
Energy: 1.1134055337919675
Energy: 1.0908635824955788
Energy: 1.6404543193717847
Energy: 1.0975628318330843
Energy: 1.0851916196079172
Energy: 1.098231521948167
Energy: 1.1020038310123537
Energy: 1.0851812957431501
Energy: 1.4979578387813732
Energy: 1.1018167412647901
Energy: 1.1018288856269005
Energy: 1.1027789264985646
Energy: 1.1023228145505932
Energy: 1.0985439861942725
Energy: 1.4838023905672952
Energy: 1.1010234195218198
Energy: 1.101400854602118
Energy: 1.0928490731799168
Energy: 1.1013532451427186
Energy: 1.092107630386491
Energy: 1.4847950126470477
Energy: 1.0931200076377299
Energy: 1.0927019203382535
Energy: 1.0898007037505333
Energy: 1.0928193096460797
Energy: 1.0926781756305892
Energy: 1.4433457117359405
Energy: 1.0880564670929673
Energy: 1.0879824997184933
Energy: 1.0472451157109564
Energy: 1.0883673799866178
Energy: 1.0913575678886331
Energy: 1.2048046946355548
Energy: 1.0933937994401568
Energy: 1.0908221263428004
Energy: 1.1013828635923728
Energy: 1.0953031623277028
Energy: 1.0986765604056217
Energy: 1.1985411933667924
Energy: 1.1030254384623448
Energy: 1.101411543572897
Energy: 1.0858870819163653
Energy: 1.1031129760010063
Energy: 1.1004366289494176
Energy: 1.2177418709785583
Energy: 1.0841019302662813
Energy: 1.0866429078014164
Energy: 1.1538448604770983
Energy: 1.083945310294185
Energy: 1.0834029570219152
Energy: 1.1124370120020806
Energy: 1.1034747558597102
Energy: 1.1013592577263251
Energy: 1.1105087242945315
Energy: 1.0877031775228139
Energy: 1.0900586077775014
Energy: 1.110258534311334
Energy: 1.1026529285135418
Energy: 1.1004204385769183
Energy: 1.1103841051938292
Energy: 1.096476275772671
Energy: 1.0912553506300546
Energy: 1.186186615004492
Energy: 1.0856960274364849
Energy: 1.0871528304639406
Energy: 1.1149222446949953
Energy: 1.098698357517626
Energy: 1.0815188392841275
Energy: 1.1412634915861843
Energy: 1.1020488066060994
Energy: 1.0998946449072813
Energy: 1.0932130115509504
Energy: 1.093012614119758
Energy: 1.0992740132309733
Energy: 1.1405139806191824
Energy: 1.0943332772503562
Energy: 1.0888425113207187
Energy: 1.1130714166521474
Energy: 1.0938389922430072
Energy: 1.101948720141644
Energy: 1.4360326800643768
Energy: 1.0891379166689916
Energy: 1.0896983546408887
Energy: 1.080643420581575
Energy: 1.089157272374946
Energy: 1.085693794180778
Energy: 1.3269482314763834
Energy: 1.0947292058493123
Energy: 1.0925693545007276
Energy: 1.095049643090163
Energy: 1.0951282427584301
Energy: 1.092708607680896
Energy: 1.3289772590454938
Energy: 1.094444700524565
Energy: 1.0922997871417366
Energy: 1.094616546422513
Energy: 1.094245407018444
Energy: 1.0918937207295163
Energy: 1.4378018067916059
Energy: 1.094295474132544
Energy: 1.0928479642991396
Energy: 1.0930520843357538
Energy: 1.0941876092953278
Energy: 1.0915763619684722
Energy: 1.5544087494128493
Energy: 1.0886415774930898
Energy: 1.0854578598247142
Energy: 1.1053098188658397
Energy: 1.0898668217683352
Energy: 1.0841690628900673
Energy: 1.5575486995971624
Energy: 1.1132509531977421
Energy: 1.1131045511334094
Energy: 1.0877650092360172
Energy: 1.117789153551804
Energy: 1.0928369154756112
Energy: 1.570651175668188
Energy: 1.0922696767583133
Energy: 1.1006874868753216
Energy: 1.093354466576757
Energy: 1.0927812332347209
Energy: 1.1013369744121808

minimum gb energy = 1.0472451157109564 eV
minimum distance =  2.28977507697511 Angstroms
sigma value = 33


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

Energy: 2.18228491135723
Energy: 1.1227654235960014
Energy: 1.1415887665966589
Energy: 1.2067315426675238
Energy: 1.148492660110123
Energy: 1.1861240804711208
Energy: 1.4566629308890415
Energy: 1.1457028644618592
Energy: 1.1367966337484616
Energy: 1.1419065445719347
Energy: 1.1451346031246485
Energy: 1.1376841193325313
Energy: 1.294665166676069
Energy: 1.1329430853817373
Energy: 1.151611445546052
Energy: 1.1498955574080627
Energy: 1.1571024918089714
Energy: 1.1316072503529795
Energy: 1.628736314264353
Energy: 1.1975213747776916
Energy: 1.1361841354898194
Energy: 1.1290306277771842
Energy: 1.1988844084483479
Energy: 1.12818264468452
Energy: 1.4481016092958054
Energy: 1.1409437645430727
Energy: 1.1594451908088754
Energy: 1.1194690515218997
Energy: 1.1570978014195858
Energy: 1.208024349533626
Energy: 1.5632705017204322
Energy: 1.2127631206492606
Energy: 1.2161300759886091
Energy: 1.2002451022735112
Energy: 1.2174857933945227
Energy: 1.1998734036288468
Energy: 1.5625213481457099
Energy: 1.1858886724093045
Energy: 1.1871606112070818
Energy: 1.1982427195133514
Energy: 1.2032822603105005
Energy: 1.1778459915864299
Energy: 1.4458347102543552
Energy: 1.1475140341237435
Energy: 1.1477228772260994
Energy: 1.1429294307564923
Energy: 1.1475622287972223
Energy: 1.148149031289551
Energy: 1.2927675851503888
Energy: 1.1455492743138658
Energy: 1.1928453859642973
Energy: 1.1983335117171323
Energy: 1.1512346649903438
Energy: 1.1915289444390909
Energy: 1.287950063451952
Energy: 1.1866131426290083
Energy: 1.196027688026417
Energy: 1.186290551087189
Energy: 1.1856464183897415
Energy: 1.198844814015725
Energy: 1.3272250910405903
Energy: 1.1222258227890076
Energy: 1.126437078366793
Energy: 1.2630804792020416
Energy: 1.1204376243456877
Energy: 1.1269124971678663
Energy: 1.2009809857365537
Energy: 1.150973131011138
Energy: 1.198144268670787
Energy: 1.1963925085796814
Energy: 1.1504994832007087
Energy: 1.2005400270813833
Energy: 1.1981259610454007
Energy: 1.1822785746052802
Energy: 1.1838042395020754
Energy: 1.1939360408417237
Energy: 1.2021245601462371
Energy: 1.1869476152889196
Energy: 1.251446072308837
Energy: 1.1217090255974695
Energy: 1.1311566698876765
Energy: 1.216952783246196
Energy: 1.1376305745256605
Energy: 1.1205591141134255
Energy: 1.290675636169361
Energy: 1.2020099618543962
Energy: 1.195853493389374
Energy: 1.2112974648712889
Energy: 1.2087312872432727
Energy: 1.1962871990878468
Energy: 1.2915599752275133
Energy: 1.2014504324372615
Energy: 1.1814558471694845
Energy: 1.22167360268877
Energy: 1.1987661616793694
Energy: 1.2192353098024324
Energy: 1.4636714035502953
Energy: 1.1929404091580118
Energy: 1.1813568860587798
Energy: 1.181463143097143
Energy: 1.1937713977356559
Energy: 1.169733023922409
Energy: 1.4230468815999766
Energy: 1.1905041655461257
Energy: 1.1692976545262743
Energy: 1.1471930113670465
Energy: 1.1950938168113148
Energy: 1.1494815860897476
Energy: 1.4244826408161229
Energy: 1.171626112117397
Energy: 1.1700300264206098
Energy: 1.168409266455274
Energy: 1.1841211704351569
Energy: 1.170116591564959
Energy: 1.3491256140251613
Energy: 1.1814654296680127
Energy: 1.1737542312034241
Energy: 1.1644880203813999
Energy: 1.1809503602635474
Energy: 1.1656293501659176
Energy: 1.3040481607944894
Energy: 1.1528892147334053
Energy: 1.146073473200078
Energy: 1.147772844921798
Energy: 1.158117940361833
Energy: 1.1466481927173786
Energy: 1.3511325898584958
Energy: 1.1632190209020663
Energy: 1.1600232959266035
Energy: 1.1692870397030894
Energy: 1.163071739523468
Energy: 1.1804943529903833
Energy: 1.349517362152098
Energy: 1.1776127478376928
Energy: 1.1827725616070868
Energy: 1.1812665371769817
Energy: 1.1787277651793129
Energy: 1.1714723821231219
Energy: 1.624816388812932
Energy: 1.1699998317688631
Energy: 1.1869157275147215
Energy: 1.129205318458619
Energy: 1.1705292899970878
Energy: 1.1437250605208926
Energy: 1.349630876401339
Energy: 1.184479533073137
Energy: 1.1816168616049412
Energy: 1.1798550315417722
Energy: 1.1844355890082587
Energy: 1.1718669139222784
Energy: 1.4609326863640784
Energy: 1.2112320868016155
Energy: 1.2177245916644326
Energy: 1.215541973194607
Energy: 1.2093279205245484
Energy: 1.1829779910195755
Energy: 1.5696000966513923
Energy: 1.1891683331021041
Energy: 1.188794553471698
Energy: 1.1797416003115877
Energy: 1.2040206475708166
Energy: 1.1857230476258969
Energy: 1.460720143635159
Energy: 1.1458907056869034
Energy: 1.1485413014087376
Energy: 1.2072842018329772
Energy: 1.1464991832589067
Energy: 1.1889906626205278
Energy: 1.2675387854401567
Energy: 1.14644833705275
Energy: 1.147417493624188
Energy: 1.2007120264500206
Energy: 1.146886790044286
Energy: 1.187550489806802
Energy: 1.2665853317027385
Energy: 1.1867043401672357
Energy: 1.186770640207675
Energy: 1.1966138098723078
Energy: 1.187028257673895
Energy: 1.1930539942961393
Energy: 1.3744675252648133
Energy: 1.1264187655280062
Energy: 1.1230779539828932
Energy: 1.2002114736790057
Energy: 1.119719068728753
Energy: 1.1240722198130388
Energy: 1.2230358360023459
Energy: 1.152754775595489
Energy: 1.1169083777609872
Energy: 1.1904374747761806
Energy: 1.1521661042983544
Energy: 1.1861731635182002
Energy: 1.2157608441436565
Energy: 1.1775395303965546
Energy: 1.1948480527349317
Energy: 1.199594065275994
Energy: 1.1884885605001805
Energy: 1.197872895503374
Energy: 1.2297012655828128
Energy: 1.1247485241187043
Energy: 1.1221618864881935
Energy: 1.1848994385626201
Energy: 1.1315321864807175
Energy: 1.1177886462746187
Energy: 1.2849960806137177
Energy: 1.1880669132316641
Energy: 1.1910632751090122
Energy: 1.1889731309266665
Energy: 1.1942838133495972
Energy: 1.1868463757336893
Energy: 1.2861533897800468
Energy: 1.201804995516113
Energy: 1.2025333334990524
Energy: 1.2066318331959915
Energy: 1.2183596789657398
Energy: 1.2066193467863897
Energy: 1.2849783415869789
Energy: 1.2059996881278412
Energy: 1.1038501749336835
Energy: 1.1572787860563727
Energy: 1.123445433882329
Energy: 1.206173630341201
Energy: 1.4247424474447405
Energy: 1.2000973184946107
Energy: 1.1386710454881672
Energy: 1.1501013234769417
Energy: 1.1997729518872209
Energy: 1.2106333844112844
Energy: 1.4226407338586189
Energy: 1.15164360239453
Energy: 1.1421825728861261
Energy: 1.147772357552423
Energy: 1.153914963638432
Energy: 1.148308586492567
Energy: 1.4470117846036326
Energy: 1.1489352167290492
Energy: 1.1530521691169031
Energy: 1.1312177761583755
Energy: 1.148973101158236
Energy: 1.1437850412722965
Energy: 1.586472407162771
Energy: 1.1329719727054473
Energy: 1.0959775979894273
Energy: 1.091761964989582
Energy: 1.1549455464493097
Energy: 1.130987750161254

minimum gb energy = 1.091761964989582 eV
minimum distance =  2.25955197114711 Angstroms
sigma value = 51


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

Energy: 1.7074877320343376
Energy: 1.106971010086426
Energy: 1.081000859543102
Energy: 1.1165809246320937
Energy: 1.135177964228513
Energy: 1.1796959301854986
Energy: 1.2893784450921175
Energy: 1.1343870702838936
Energy: 1.1344503644378647
Energy: 1.1275497523246496
Energy: 1.1340237074345896
Energy: 1.1314231281921119
Energy: 1.5223573551624225
Energy: 1.134400895856301
Energy: 1.133805187271048
Energy: 1.1101815996177238
Energy: 1.135029809691733
Energy: 1.1276985693849635
Energy: 1.507267101881273
Energy: 1.107924790385111
Energy: 1.096155380679566
Energy: 1.0827321123356641
Energy: 1.107751292194928
Energy: 1.0957664162280951
Energy: 1.2910041737799938
Energy: 1.1642413877985633
Energy: 1.1401860008106217
Energy: 1.1104631050921532
Energy: 1.1650308465282468
Energy: 1.1523624274397533
Energy: 1.2880746973052815
Energy: 1.1396562385962923
Energy: 1.1388780818135738
Energy: 1.1385228712111417
Energy: 1.1372915485995412
Energy: 1.1381711856307917
Energy: 1.2882623322844577
Energy: 1.073314456540118
Energy: 1.07370555696818
Energy: 1.1380475809882948
Energy: 1.0725022900101537
Energy: 1.1390808673304285
Energy: 1.3130988099064922
Energy: 1.1143380827807774
Energy: 1.1132114856367192
Energy: 1.1233574679116127
Energy: 1.114131267620356
Energy: 1.113970769495412
Energy: 1.1351252452834901
Energy: 1.0951703755283808
Energy: 1.0968884848830813
Energy: 1.1351908551862901
Energy: 1.1173285913669158
Energy: 1.1378273072738219
Energy: 1.1345967886804005
Energy: 1.1111122748075737
Energy: 1.099372556890242
Energy: 1.1346796857068708
Energy: 1.1107968531423995
Energy: 1.1348316380637664
Energy: 1.133995322879109
Energy: 1.082530341522972
Energy: 1.0841299170721315
Energy: 1.1341395229281708
Energy: 1.0639814468696773
Energy: 1.0954452227409053
Energy: 1.1713015379229685
Energy: 1.1112562336797331
Energy: 1.0727832344603212
Energy: 1.1072367304204889
Energy: 1.1079892590206195
Energy: 1.134212651633002
Energy: 1.170083275416808
Energy: 1.0990400589514715
Energy: 1.1101068220873815
Energy: 1.1366659519337579
Energy: 1.157265213039252
Energy: 1.1387630281182957
Energy: 1.1715143530223695
Energy: 1.0859174008578065
Energy: 1.0851571908285786
Energy: 1.108398006032884
Energy: 1.0857770033486311
Energy: 1.0853122542729914
Energy: 1.368666441363318
Energy: 1.0986719047684226
Energy: 1.0985857960099563
Energy: 1.1082974806697141
Energy: 1.1168503611035785
Energy: 1.099412406842065
Energy: 1.3759596884990866
Energy: 1.1383502955153413
Energy: 1.1389171735656463
Energy: 1.0672065664909363
Energy: 1.1382142046241466
Energy: 1.0672418315360774
Energy: 1.4099885052987227
Energy: 1.1390091832484999
Energy: 1.138870066606599
Energy: 1.132803563686902
Energy: 1.1383830822831742
Energy: 1.1396425610743062
Energy: 1.642215470557871
Energy: 1.106625804970752
Energy: 1.1066281242436333
Energy: 1.1099387714615296
Energy: 1.1065232277983648
Energy: 1.1056883552070857

minimum gb energy = 1.0639814468696773 eV
minimum distance =  2.25591789943338 Angstroms
sigma value = 19


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

Energy: 1.423126009804933
Energy: 1.0604447510589234
Energy: 1.161314078592611
Energy: 1.1628073177426308
Energy: 1.0580723770645504
Energy: 1.162145244322899
Energy: 1.2352427344173034
Energy: 1.0586845424471933
Energy: 1.0582842887505315
Energy: 1.0997912612187
Energy: 1.058619007216019
Energy: 1.0584297401464555
Energy: 1.2350028065244925
Energy: 1.058472988546889
Energy: 1.0587193294132036
Energy: 1.1118264861099016
Energy: 1.0586077094192727
Energy: 1.0584553189513903
Energy: 1.2261556670667524
Energy: 1.0586241948065025
Energy: 1.0588317560868916
Energy: 1.096183632205964
Energy: 1.0575068342242937
Energy: 1.0577037006773509
Energy: 1.2025063501970146
Energy: 1.0577105994493277
Energy: 1.059046653930778
Energy: 1.0372510460086306
Energy: 1.0574840808021897
Energy: 1.101316413547368
Energy: 1.2409804433267435
Energy: 1.0246591869446322
Energy: 1.0989994710142188
Energy: 1.1024257704869895
Energy: 1.0246103914310039
Energy: 1.100815574455241
Energy: 1.2344950510135777
Energy: 1.0994393118992305
Energy: 1.0996056048949823
Energy: 1.101586018626619
Energy: 1.036578003217421
Energy: 1.1007859902187764
Energy: 1.2056153926405193
Energy: 1.03501511787388
Energy: 1.034515358065857
Energy: 1.058850606293494
Energy: 1.0351309847309613
Energy: 1.0331549535598918
Energy: 1.058823349570102
Energy: 1.0354662627165976
Energy: 1.033020395541123
Energy: 1.0586762171394521
Energy: 1.0367011025872748
Energy: 1.0246804614298293
Energy: 1.0578255532528644
Energy: 1.0597180081836786
Energy: 1.0585086050467805
Energy: 1.057876189284678
Energy: 1.037015090822444
Energy: 1.0583325023185297
Energy: 1.0589178447640042
Energy: 1.1155977294807917
Energy: 1.1157066029287075
Energy: 1.059327594018497
Energy: 1.1155401527830833
Energy: 1.057759713977178
Energy: 1.2337667761327757
Energy: 1.0998486908227108
Energy: 1.099028722685734
Energy: 1.0582798673314289
Energy: 1.0372370622219482
Energy: 1.0581973778085572
Energy: 1.024034407508354
Energy: 1.100820091885843
Energy: 1.1005120433405142
Energy: 1.0276269225348267
Energy: 1.1007637803790078
Energy: 1.123822985247214
Energy: 1.235659951319601
Energy: 1.100615140558149
Energy: 1.0999710486975278
Energy: 1.0583813277779437
Energy: 1.1024585525637913
Energy: 1.0997731704943192
Energy: 1.4301237271372467
Energy: 1.0582778154138388
Energy: 1.058457375658769
Energy: 1.0325549935185268
Energy: 1.058110876951327
Energy: 1.0251428059518954
Energy: 1.4291286448489193
Energy: 1.0598275706857103
Energy: 1.0324773411628154
Energy: 1.02431272905233
Energy: 1.0593588010517192
Energy: 1.035650864063042
Energy: 1.2019850983341227
Energy: 1.0583221470501747
Energy: 1.058195854907905
Energy: 1.038155828357703
Energy: 1.058858680855014
Energy: 1.05837267946183
Energy: 1.2226822038800256
Energy: 1.0576216297008951
Energy: 1.0580912683792776
Energy: 1.0945272440267637
Energy: 1.0576943665988243
Energy: 1.0603794037464884
Energy: 1.22274914084809
Energy: 1.0580595409052564
Energy: 1.0583312447183215
Energy: 1.0943769882066061
Energy: 1.0583025018219614
Energy: 1.0584647570370729
Energy: 1.235769042259444
Energy: 1.0243135065005176
Energy: 1.1005601584283908
Energy: 1.0998023702350361
Energy: 1.0243079617134974
Energy: 1.0985083987777446
Energy: 1.2306603492548362
Energy: 1.0590940934194426
Energy: 1.1001757112466872
Energy: 1.1233933497503272
Energy: 1.0575092981975474
Energy: 1.0994500861438607
Energy: 1.234386506195024
Energy: 1.1006036913059363
Energy: 1.0997270594719186
Energy: 1.0596938391766146
Energy: 1.037624019819853
Energy: 1.099691860798031
Energy: 1.2058489520654931
Energy: 1.1611928327273693
Energy: 1.1608932031371675
Energy: 1.2038719079827405
Energy: 1.1622069295640405
Energy: 1.1622322001493612
Energy: 1.058550833008324
Energy: 1.0991379425597674
Energy: 1.0587474294980352
Energy: 1.0588448046944372
Energy: 1.0845622413005038
Energy: 1.0583589911478497
Energy: 1.0585786088567108
Energy: 1.0381266551790083
Energy: 1.058759500011008
Energy: 1.0585739847866935
Energy: 1.0993916327240147
Energy: 1.0586477114560422
Energy: 1.206066415284887
Energy: 1.0948079472057501
Energy: 1.0948280312196432
Energy: 1.205869922664836
Energy: 1.0966607363577885
Energy: 1.0588885215607369
Energy: 1.2341240697981628
Energy: 1.100335885091146
Energy: 1.0991905653020153
Energy: 1.0576212501510767
Energy: 1.10038956891445
Energy: 1.0998512659159998
Energy: 1.024577656395654
Energy: 1.1014207243479677
Energy: 1.100115996542981
Energy: 1.024487199407329
Energy: 1.102095799698384
Energy: 1.0979599744060449
Energy: 1.2046052968282017
Energy: 1.100558635477352
Energy: 1.0999665816168862
Energy: 1.03763525025811
Energy: 1.1013430536996376
Energy: 1.099625248595234
Energy: 1.431932130473127
Energy: 1.059186533039489
Energy: 1.0259226769103649
Energy: 1.034340982973909
Energy: 1.0590744123276774
Energy: 1.0353349792995534

minimum gb energy = 1.024034407508354 eV
minimum distance =  2.35624574637914 Angstroms
sigma value = 27


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

Energy: 1.2426848048076704
Energy: 1.1228777484875574
Energy: 1.2135854764575662
Energy: 1.0884087568469785
Energy: 1.7554907260650252
Energy: 1.2188163237555587
Energy: 1.2471012350131347
Energy: 1.0665916623838454
Energy: 1.067077165675417
Energy: 1.003085825357834
Energy: 1.0665714960567718
Energy: 0.9710317689145036
Energy: 1.1299519694857452
Energy: 1.0659481682905392
Energy: 1.0669365096559298
Energy: 1.0201120704090532
Energy: 1.0664364186016453
Energy: 1.0152120651538166
Energy: 1.1301067742168946
Energy: 1.0660048366796224
Energy: 1.0610467513218462
Energy: 1.0032073185733352
Energy: 1.0188745641285448
Energy: 0.9705794969823792
Energy: 1.2470493275489545
Energy: 0.9529094102336207
Energy: 0.9723795824844322
Energy: 1.0668701210220501
Energy: 0.9816575210174386
Energy: 0.969973017911819
Energy: 1.0646469371200726
Energy: 0.9818172276017582
Energy: 0.9816555464884106
Energy: 1.0649032913389007
Energy: 0.9807029730696236
Energy: 0.9812604330291729
Energy: 1.0681316798095424
Energy: 1.0075120688824455
Energy: 1.016394767992786
Energy: 1.0685287872276819
Energy: 1.0054515324746403
Energy: 1.013775110350137
Energy: 1.0673016433530433
Energy: 0.9983841464935549
Energy: 1.0184829779345488
Energy: 1.0669324967155436
Energy: 0.9978589590239628
Energy: 1.0334294393660448
Energy: 1.1309932162502332
Energy: 0.9963852389041419
Energy: 1.0214986481427208
Energy: 1.0672080805115494
Energy: 0.9963700285565198
Energy: 1.0142488480425782
Energy: 1.00662361610279
Energy: 1.047238938227762
Energy: 1.0603014047370045
Energy: 1.0630419555626494
Energy: 1.0030992203047806
Energy: 1.0151434027937756
Energy: 1.1305213400918523
Energy: 1.06134483064455
Energy: 1.0636740303413197
Energy: 1.067871400517551
Energy: 1.0615159590061662
Energy: 1.0611833757909208
Energy: 1.1296783371665067
Energy: 1.0681263578276803
Energy: 1.0135680146366093
Energy: 1.0032708178193006
Energy: 1.0662870551304318
Energy: 0.9710931437501671

minimum gb energy = 0.9529094102336207 eV
minimum distance =  2.34820442132384 Angstroms
sigma value = 9


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

Energy: 2.0266690555735747
Energy: 1.0313045446955265
Energy: 1.030082993698414
Energy: 1.0309748767859421
Energy: 1.0315167306673436
Energy: 1.0301412859434949
Energy: 0.98026843957028
Energy: 0.9466998233552648
Energy: 0.9273597055545542
Energy: 0.9253758874685737
Energy: 0.947220043144536
Energy: 0.9283987199476711
Energy: 0.9784705322544224
Energy: 0.9438813468736662
Energy: 0.939417180771208
Energy: 0.9543762967885586
Energy: 0.946657895994378
Energy: 0.9379647800504888
Energy: 0.9783275270465464
Energy: 0.9122163387384784
Energy: 0.8978450795693484
Energy: 0.9355252773528894
Energy: 0.9529793862572508
Energy: 0.8976271322435184
Energy: 1.0390865840287162
Energy: 0.9321868696219834
Energy: 0.9477533853067774
Energy: 0.9653449506377266
Energy: 0.9320359191179053
Energy: 0.937263022641689
Energy: 0.9785401776216952
Energy: 0.9011453704732086
Energy: 0.9367965967918116
Energy: 0.9763449732484064
Energy: 0.9074725401617034
Energy: 0.8927372796598352
Energy: 0.9653311794189494
Energy: 0.8985772255587524
Energy: 0.8980029421519811
Energy: 0.9667125099264747
Energy: 0.956092281773029
Energy: 0.9784946338998538
Energy: 0.9552935072452169
Energy: 0.9373114656247111
Energy: 0.9500282210532474
Energy: 0.9547974424160921
Energy: 0.9290197680110913
Energy: 0.9007551079245095
Energy: 1.1154384184558683
Energy: 0.9486263319936868
Energy: 0.9408162213430035
Energy: 0.9712516336552117
Energy: 0.9482759217259081
Energy: 0.8991620242041554
Energy: 0.9193292984187932
Energy: 0.9331651507536058
Energy: 0.8994901145450575
Energy: 0.9049037987599502
Energy: 0.9546146512213806
Energy: 0.9090830043608561
Energy: 0.9090554868760292
Energy: 0.9648369024438397
Energy: 0.9731748730295448
Energy: 0.9334801569980473
Energy: 0.9656709044995492
Energy: 0.9161562364815187
Energy: 1.1392613967789758
Energy: 0.9659734683157247
Energy: 0.9660450021568076
Energy: 0.9133884320499522
Energy: 0.9660715674728899
Energy: 0.9405597022932853
Energy: 1.2676780780197634
Energy: 1.120577196596538
Energy: 0.9336501150576485
Energy: 0.9318567947732808
Energy: 0.9515794214551158
Energy: 0.9769155674475988
Energy: 1.1380797043408533
Energy: 0.9662065315959135
Energy: 0.9162369391035166
Energy: 0.9136843548662238
Energy: 0.9657780053631098
Energy: 0.9420813409415475
Energy: 0.9463908248417068
Energy: 0.9524488290743556
Energy: 0.9526297486043542
Energy: 0.9460959721433877
Energy: 0.9552292380709761
Energy: 0.9119122677387008
Energy: 0.9465261810656929
Energy: 0.9185276342180974
Energy: 0.9167359662903417
Energy: 0.9474104608409885
Energy: 0.9522295348780532
Energy: 0.9530296324356258
Energy: 0.9437966177499794
Energy: 0.9109568523287207
Energy: 0.8959606507704799
Energy: 0.9437994729765089
Energy: 0.9113668577198097
Energy: 0.9246008335927305
Energy: 0.9799759037364519
Energy: 0.9190750898776107
Energy: 0.9208819824131756
Energy: 0.9437377936684117
Energy: 0.9307722103246778
Energy: 0.9290863375682751
Energy: 0.9792449880792536
Energy: 0.9254604939098887
Energy: 0.9258175552551863
Energy: 0.9448710188468726
Energy: 0.95265788685744
Energy: 0.9136999111460287
Energy: 0.9776252435209261
Energy: 0.9365951782039974
Energy: 0.9476293487309561
Energy: 0.9336906746154928
Energy: 0.9342074314644669
Energy: 0.9260540314421722
Energy: 0.9777049842030453
Energy: 0.9535236992126734
Energy: 0.9325159867604
Energy: 0.9529141287135708
Energy: 0.9470082568983194
Energy: 0.9214905410621934
Energy: 1.025530807388061
Energy: 0.9441936402886968
Energy: 0.9699591847655454
Energy: 0.933672790897605
Energy: 0.9449621379091853
Energy: 0.8885218909829359
Energy: 1.0220222509198738
Energy: 0.9442890505933854
Energy: 0.9390771141977484
Energy: 0.932675404284309
Energy: 0.9464071820931624
Energy: 0.8797862123068436
Energy: 0.9780968237573506
Energy: 0.9464884892569866
Energy: 0.9446982500668756
Energy: 0.9529071472973455
Energy: 0.9455393853730882
Energy: 0.959778486075061
Energy: 1.2774336868413267
Energy: 0.9340219505789156
Energy: 0.9147163449084075
Energy: 0.9498218441452171
Energy: 0.9461670243078141
Energy: 0.8972578728330867
Energy: 0.9763821749435464
Energy: 0.9136963077731285
Energy: 0.8972033970281668
Energy: 0.953421676421634
Energy: 0.9139658657734971
Energy: 0.926332079261438
Energy: 0.9145905533274471
Energy: 0.9102061641899336
Energy: 0.909776213183565
Energy: 0.9152567546996501
Energy: 0.9096828061534743
Energy: 0.8986236039531537
Energy: 0.9659161861767084
Energy: 0.8990462519253949
Energy: 0.8983423166460381
Energy: 0.9657573679630312
Energy: 0.9138712435753089
Energy: 0.9768591902865836
Energy: 0.9659359494219275
Energy: 0.9339239020688352
Energy: 0.8988569309648616
Energy: 0.9657743920135737
Energy: 0.9343343878854609
Energy: 0.9783642837311322
Energy: 0.9538269688344694
Energy: 0.9382379287863841
Energy: 0.897481338978519
Energy: 0.9457259576375678
Energy: 0.9288333803629394
Energy: 0.8995990791129655
Energy: 0.9093536949406932
Energy: 0.9489599046152769
Energy: 0.8985944959612812
Energy: 0.9318674084047547
Energy: 0.9486160998960476
Energy: 0.9779796228257243
Energy: 0.9162555276096015
Energy: 0.965792629710012
Energy: 0.933554986175673
Energy: 0.905702715495618
Energy: 0.9655290820729527
Energy: 0.9076586820436098
Energy: 1.1367643831796532
Energy: 0.9660394535930937
Energy: 0.965987751745266
Energy: 0.9560929675349907
Energy: 0.9677781995731124
Energy: 0.8977722094607877
Energy: 0.9717884863557588
Energy: 0.9652833024495169
Energy: 0.9653668718374993
Energy: 0.9281938154338399
Energy: 0.9652443668358662
Energy: 0.895817348149842
Energy: 0.9670036162424753
Energy: 0.965790463547611
Energy: 0.9323152818995506
Energy: 0.9340978495739322
Energy: 0.9652221735909965
Energy: 0.9373905747197164
Energy: 0.9697793211040828
Energy: 0.9484035867797799
Energy: 0.9811771100644888
Energy: 0.9694496373359601
Energy: 0.9504836873056103
Energy: 0.8972533711913917
Energy: 0.9452422849141356
Energy: 0.9511084460178526
Energy: 0.9262965284713895
Energy: 0.9461928275945626
Energy: 0.9475430852131448
Energy: 0.9384392175168623
Energy: 0.9443093717976652
Energy: 0.9194855604098723
Energy: 0.9190305111015754
Energy: 0.9440029722649627
Energy: 0.9199788154563473
Energy: 0.9362305850661106
Energy: 0.9912187152818394
Energy: 0.8956338724926948
Energy: 0.9237839681873745
Energy: 0.991151156203401
Energy: 0.9283617546818176
Energy: 0.9509794426648106
Energy: 0.9773241224324515
Energy: 0.919286716098525
Energy: 0.9211946025709992
Energy: 0.9441205846012943
Energy: 0.9186425291927222
Energy: 0.9167444015729224
Energy: 0.9759495425051228
Energy: 0.9200964449182263
Energy: 0.924236829010048
Energy: 0.93305460774189
Energy: 0.9364079429033313
Energy: 0.9385009144506119
Energy: 0.9791970426820134
Energy: 0.9367602599621208
Energy: 0.9371468062186209
Energy: 0.9443524815176123
Energy: 0.9354951194202974
Energy: 0.9152352706190345
Energy: 1.022230295509225
Energy: 0.9446115770399455
Energy: 0.9515539139061158
Energy: 0.932793590339325
Energy: 0.946790170396186
Energy: 0.8792582624261314

minimum gb energy = 0.8792582624261314 eV
minimum distance =  2.2997332150005 Angstroms
sigma value = 57


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

Energy: 0.9427140049798477
Energy: 0.6954488102086811
Energy: 0.48476520418955693
Energy: 0.4821204185763008
Energy: 0.7029850200868957
Energy: 0.8631439638181257
Energy: 0.958906391065356
Energy: 0.7342038497259483
Energy: 0.7305793047058338
Energy: 0.7348976060821896
Energy: 0.7342734655719869
Energy: 0.6953713207200148
Energy: 0.9573805180887982
Energy: 1.1149965000323532
Energy: 0.6951722975326301
Energy: 0.6956313359517896
Energy: 0.7359200337183743
Energy: 0.902960131507596
Energy: 0.9571882426763514
Energy: 0.9086677120710153
Energy: 0.9140395709585157
Energy: 0.7364592837571411
Energy: 0.9380337703855474
Energy: 0.9057120733560318
Energy: 0.9571789275513455
Energy: 0.64047369505464
Energy: 0.63575747080736
Energy: 0.9219235048442722
Energy: 0.6392777602701986
Energy: 0.9264208054543319
Energy: 0.9427404079952473
Energy: 0.6401369826547371
Energy: 0.6455922436698288
Energy: 0.7270523941172287
Energy: 0.6386494884305705
Energy: 0.6030442106032672
Energy: 0.9463219797750435
Energy: 0.9129273120959995
Energy: 0.8046009568294249
Energy: 0.7274305945599066
Energy: 0.6977751495535063
Energy: 0.9215862920076241
Energy: 0.9044685638538346
Energy: 0.9382124916775567
Energy: 1.0497094937814782
Energy: 0.9244499089251265
Energy: 1.0287451165865238
Energy: 0.9398748016977156
Energy: 0.9343994596525913
Energy: 0.964473921333571
Energy: 0.9622793137174853
Energy: 0.9236835042795749
Energy: 0.9217587199840184
Energy: 0.9797275963857792
Energy: 0.7978273911667528
Energy: 0.9120021956447809
Energy: 0.48274967465817925
Energy: 0.4805634460017264
Energy: 0.9983095274891326
Energy: 0.7552234718688637
Energy: 0.7979406241925083
Energy: 0.9265141317609642
Energy: 0.9412354343254026
Energy: 0.48059174789268316
Energy: 0.9757989608124046
Energy: 0.7227438523491346
Energy: 0.962763996831895
Energy: 0.9263251467532038
Energy: 0.9623751300505009
Energy: 0.9364888752508292
Energy: 0.9232354194082399
Energy: 0.9025429347961363
Energy: 0.9611256257189977
Energy: 0.9850894854540339
Energy: 0.9435044344394838
Energy: 0.7365266838887026
Energy: 0.7860497194943195
Energy: 0.8724996314171499
Energy: 0.9571580986947587
Energy: 0.937575315922971
Energy: 0.7749258292072075
Energy: 0.7280676757815808
Energy: 0.7846445569318421
Energy: 0.9287948751497396
Energy: 0.9563457500453799
Energy: 0.6411287546733045
Energy: 0.6423741777855386
Energy: 0.7732727029073071
Energy: 0.6391889813024525
Energy: 0.6456826134864174
Energy: 0.9493920798426831
Energy: 0.9017383066225738
Energy: 0.9109537465753834
Energy: 0.9022745496508324
Energy: 0.6388507377402161
Energy: 0.9260742991689307
Energy: 0.9477161496117664
Energy: 0.9194391610304113
Energy: 0.9360831834274971
Energy: 0.7359111676197104
Energy: 0.9130283535936867
Energy: 0.9234843917212182
Energy: 0.9573311658579452
Energy: 0.9147736005224412
Energy: 0.697270213137196
Energy: 0.6982410846949837
Energy: 0.74569044251556
Energy: 1.2378101280478024
Energy: 0.9437903728832641
Energy: 0.7336969978847514
Energy: 0.6978028254988718
Energy: 0.48068261527456957
Energy: 0.7496797447453075
Energy: 0.6980301697037228

minimum gb energy = 0.4805634460017264 eV
minimum distance =  2.30029796818509 Angstroms
sigma value = 11


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

Energy: 1.7155796642082455
Energy: 0.7976284118666016
Energy: 0.9101885624561421
Energy: 0.8352779580820776
Energy: 0.7976064157802549
Energy: 0.9134173604510507
Energy: 0.801333640013335
Energy: 0.8332235220578412
Energy: 0.8202071611408056
Energy: 0.8110726593526874
Energy: 0.8019943057396016
Energy: 0.8001896885845666
Energy: 0.7990396722570716
Energy: 0.8098259670138048
Energy: 0.8133143503538712
Energy: 0.8006770143558865
Energy: 0.8086397480929061
Energy: 0.8014343098394934
Energy: 0.8000772750196722
Energy: 0.8243674672723841
Energy: 0.8220625939043188
Energy: 0.8016725535611597
Energy: 0.8050797358118726
Energy: 0.8130464067545737
Energy: 0.8018437217130896
Energy: 0.8901744477032809
Energy: 0.8468455073812814
Energy: 0.8018831741796706
Energy: 0.8151343187372614
Energy: 0.8107563406026568
Energy: 0.8632836041518337
Energy: 0.8640022128762773
Energy: 0.8499886000576413
Energy: 0.8252736343952092
Energy: 0.819701002566215
Energy: 0.8331798548981159
Energy: 0.8585832520920713
Energy: 0.8060948515105764
Energy: 0.8104233388180363
Energy: 0.8015140251705126
Energy: 0.80795433132073
Energy: 0.8078001675257535
Energy: 0.8239913851744087
Energy: 0.8096706493599184
Energy: 0.8107249942093064
Energy: 0.8377365612950446
Energy: 0.8092600923222218
Energy: 0.8139175191283516
Energy: 0.8613004282310212
Energy: 0.8158693061858796
Energy: 0.8017886893281074
Energy: 0.8372115457382527
Energy: 0.797468054925544
Energy: 0.8250498673295832
Energy: 0.9157754686491383
Energy: 0.8424971977767062
Energy: 0.8342996598977527
Energy: 0.7991998949175195
Energy: 0.830833807853571
Energy: 0.8491382091750918
Energy: 0.9099309179198116
Energy: 0.8378755235964609
Energy: 0.8348434166656513
Energy: 0.8139573083808974
Energy: 0.8529143573234937
Energy: 0.9002893588015064
Energy: 0.9426234075868414
Energy: 0.7819266556303507
Energy: 0.8000038762171071
Energy: 0.928179232998823
Energy: 0.7764149547595655
Energy: 0.8221916996005701
Energy: 0.9039617095140892
Energy: 0.7732922432241017
Energy: 0.8298083041349266
Energy: 0.811988006966157
Energy: 0.7778433417326471
Energy: 0.8190866524519257
Energy: 0.9022671987815313
Energy: 0.8864759475602755
Energy: 0.896486426393653
Energy: 0.9028356998888221
Energy: 0.8399775267654461
Energy: 0.8955612834735659
Energy: 0.9066797359890191
Energy: 0.834377289958582
Energy: 0.8251381528240137
Energy: 0.9070676205816225
Energy: 0.8348961845788049
Energy: 0.8385651243517919
Energy: 1.1162652610357906
Energy: 0.8874808146076871
Energy: 0.8966574733209866
Energy: 0.8425854985568766
Energy: 0.9227637860415704
Energy: 0.8971270332525128
Energy: 1.2852921200635459
Energy: 0.8477174046101232
Energy: 0.8156153033604718
Energy: 0.7809584730790746
Energy: 0.9332895928055123
Energy: 0.8238406866104668
Energy: 1.3371959247139773
Energy: 0.843311234641148
Energy: 0.8934607416861224
Energy: 0.8176295057487319
Energy: 0.8405886513142582
Energy: 0.8966178950031449
Energy: 1.1197657658369504
Energy: 0.8172190890876939
Energy: 0.8095953875050484
Energy: 0.7963069024333662
Energy: 0.8131694746713564
Energy: 0.8126632800420435
Energy: 0.8706135118366791
Energy: 0.8486439822765313
Energy: 0.8150671911394496
Energy: 0.8067961874340575
Energy: 1.1810445298203673
Energy: 0.816583702659767
Energy: 1.116699842856714
Energy: 0.8976362705729822
Energy: 0.8473527436725174
Energy: 0.8287488604841465
Energy: 0.8498708137281932
Energy: 0.8555093727391779
Energy: 1.104172173198719
Energy: 0.8057237380267891
Energy: 0.8042410152381297
Energy: 1.1038657679111954
Energy: 0.8270813723548792
Energy: 0.8684042149360373
Energy: 0.7989308758520178
Energy: 0.8684717086017836
Energy: 0.8473765798152526
Energy: 0.7990844977245104
Energy: 0.8148788538956223
Energy: 0.8518368856376257
Energy: 0.801056649944776
Energy: 0.8087527758112255
Energy: 0.8026100369185922
Energy: 0.8018348942787826
Energy: 0.8047870156880954
Energy: 0.8104509005649154
Energy: 0.8738608147721502
Energy: 0.8056336950470182
Energy: 0.8142854750186739
Energy: 0.8463812495619755
Energy: 0.8020206785073505
Energy: 0.8107684278987465
Energy: 0.8996416432207133
Energy: 0.8198170779236614
Energy: 0.8239557404260615
Energy: 0.8099983493877813
Energy: 0.8240885010455515
Energy: 0.7873515434235648

minimum gb energy = 0.7732922432241017 eV
minimum distance =  2.31267712341748 Angstroms
sigma value = 41


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

Energy: 1.6386441816052388
Energy: 0.9491765176366084
Energy: 0.8876077957149322
Energy: 0.9678205554080239
Energy: 0.9544148939961978
Energy: 0.9679588238338726
Energy: 0.8654202339608829
Energy: 0.8726569650301671
Energy: 0.8797578731915945
Energy: 0.8652241788733106
Energy: 0.8657335679116106
Energy: 0.8621352823190234
Energy: 0.865566740631098
Energy: 0.8663597969309548
Energy: 0.8639103389305522
Energy: 0.8667344016375546
Energy: 0.8714716916680462
Energy: 0.862529275248569
Energy: 0.8653352557697924
Energy: 0.8801033355953227
Energy: 0.876636518966501
Energy: 0.8665560989939641
Energy: 0.8691942957208325
Energy: 0.8749933161923014
Energy: 0.8659911353349343
Energy: 0.8920661436038864
Energy: 0.893900652198317
Energy: 0.866438248851817
Energy: 0.9386523757468924
Energy: 0.8795357311633113
Energy: 0.956425912077825
Energy: 0.8763700448056111
Energy: 0.8771850230572529
Energy: 0.8909698762018549
Energy: 0.8726102535726856
Energy: 0.8895790428692889
Energy: 0.9584939228434035
Energy: 0.8697476014324311
Energy: 0.8759701652867157
Energy: 0.8643115968457178
Energy: 0.8862925338519483
Energy: 0.8754699227323512
Energy: 0.9027073885377207
Energy: 0.8940947024109437
Energy: 0.8944963320545882
Energy: 0.9053528561662265
Energy: 0.8937937652636841
Energy: 0.8348871895797136
Energy: 1.2032754628577849
Energy: 0.8683166754336199
Energy: 0.8757787487740031
Energy: 0.8988732671194977
Energy: 0.9385384058510721
Energy: 0.8777067220179602
Energy: 0.9570841439365696
Energy: 0.8850502431763775
Energy: 0.8953142867799161
Energy: 0.863985730692975
Energy: 0.8905490322241618
Energy: 0.8775319573324787
Energy: 0.9578666471848913
Energy: 0.888908157534468
Energy: 0.8804468185925635
Energy: 0.8675115804471222
Energy: 0.8911831956467576
Energy: 0.8774589638835094
Energy: 1.1010456390550005
Energy: 0.8230904319198925
Energy: 0.823641285621746
Energy: 0.8888743666387114
Energy: 0.8229777329472002
Energy: 0.8774245940594975
Energy: 0.8670276278609056
Energy: 0.8226148689379625
Energy: 0.8235443521007999
Energy: 0.8672831708162565
Energy: 0.8234405293345906
Energy: 0.8262282036713579
Energy: 0.9371309615779221
Energy: 0.8883858312688694
Energy: 0.8773748321469921
Energy: 0.9376499979582212
Energy: 0.8952844806000175
Energy: 0.876832550373881
Energy: 0.8957591397638069
Energy: 0.869251342489898
Energy: 0.8966317338923546
Energy: 0.8953331340353867
Energy: 0.8746032298520712
Energy: 0.8962108537945055
Energy: 0.8642643421811295
Energy: 0.893466478867714
Energy: 0.8763166246372137
Energy: 0.8849422602545759
Energy: 0.8653575765078395
Energy: 0.8645597157272924
Energy: 1.0115314427542745
Energy: 0.897561042189453
Energy: 0.8713830803772665
Energy: 0.8258817519369583
Energy: 0.8938033453062875
Energy: 0.8245735404113367
Energy: 0.9024511703160748
Energy: 0.8910955057035258
Energy: 0.8914578497653964
Energy: 1.0491591592673666
Energy: 0.8669189790418584
Energy: 0.8421685981889488
Energy: 0.8643837539216038
Energy: 0.870913947366423
Energy: 0.8655311659041349
Energy: 0.8658315896076547
Energy: 0.8709291141686266
Energy: 0.8633892586474535
Energy: 0.8661931993345149
Energy: 0.8642258666500761
Energy: 0.8618450676535079
Energy: 0.8665286682172945
Energy: 0.8705002098668423
Energy: 0.8643180456286038
Energy: 0.8648434046538389
Energy: 0.8648643236869977
Energy: 0.8615139440458758
Energy: 0.8652193250807532
Energy: 0.8701921998871762
Energy: 0.8619705988650942
Energy: 0.8668102747129193
Energy: 0.8961930164507838
Energy: 0.8950068627784905
Energy: 0.8670809074671508
Energy: 0.8628796856179358
Energy: 0.9219408179624519
Energy: 0.9575632415586947
Energy: 0.8752137244599015
Energy: 0.8644944772244861
Energy: 0.8647435536171149
Energy: 0.8647433870973674
Energy: 0.8762892067495703
Energy: 0.9026710241661267
Energy: 0.897489187788573
Energy: 0.8687936738421476
Energy: 0.9075606818076185
Energy: 0.8974930123690077
Energy: 0.8354981098396607
Energy: 0.9584784090485736
Energy: 0.8701690830791267
Energy: 0.8754411122376606
Energy: 0.8885228915025655
Energy: 0.864641907593404
Energy: 0.8762010779078495
Energy: 0.957894943942114
Energy: 0.8919859237729627
Energy: 0.8897406157826137
Energy: 0.8689306206366799
Energy: 0.8661826628939943
Energy: 0.8784333340831824
Energy: 0.9573583395592394
Energy: 0.8911147960302254
Energy: 0.8942657435084346
Energy: 0.8638175846826511
Energy: 0.89099216625978
Energy: 0.8769417822173565
Energy: 1.2035535028119637
Energy: 0.8660561551011924
Energy: 0.8923155255315183
Energy: 0.8904419338679811
Energy: 0.8241846956590991
Energy: 0.8932961245400735
Energy: 0.8678141705697181
Energy: 0.8233386481468008
Energy: 0.8255716579248132
Energy: 0.8682381755373302
Energy: 0.8231504361272859
Energy: 0.9089963629195169
Energy: 0.9377835339517627
Energy: 0.8956196355061962
Energy: 0.8779066766189142
Energy: 0.9376689174832283
Energy: 0.8973771891112446
Energy: 0.8929166120716759
Energy: 0.8640222930230442
Energy: 0.863111271733323
Energy: 0.8619037257965705
Energy: 0.8638544062570738
Energy: 0.8710646077099967
Energy: 0.8713541681068059
Energy: 0.8636332117606662
Energy: 0.8705363626042824
Energy: 0.8672880305581503
Energy: 0.8692204340089317
Energy: 0.8663344181903677
Energy: 0.8651156598202847
Energy: 1.0105403797964516
Energy: 0.8905451784250287
Energy: 0.8606388585543713
Energy: 0.8285613201069831
Energy: 0.8923823475925469
Energy: 0.8596215957186063

minimum gb energy = 0.8226148689379625 eV
minimum distance =  2.32342521908466 Angstroms
sigma value = 33


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

Energy: 1.0856203602837604
Energy: 0.9934358410708252
Energy: 0.8977035590825081
Energy: 1.0801337836411686
Energy: 1.0273347784580997
Energy: 0.8977458209798417
Energy: 0.9347705004161075
Energy: 0.9119664913839989
Energy: 0.9084286840267375
Energy: 0.9425256128263411
Energy: 0.9380514353003201
Energy: 0.9082225283842701
Energy: 0.9360288960313747
Energy: 0.9075972475244378
Energy: 0.9098575955295072
Energy: 0.9378921127275129
Energy: 0.9075141543213596
Energy: 0.9115993148671662
Energy: 0.9390907864738788
Energy: 0.9079024412280102
Energy: 0.9079491691266051
Energy: 0.9405651721972755
Energy: 0.9121892242637532
Energy: 0.9083382159541673
Energy: 0.9373801072703546
Energy: 0.908560346670039
Energy: 0.8804983769266983
Energy: 0.9354424226270183
Energy: 0.9356356038189881
Energy: 0.8796305211915006
Energy: 0.9895571721828144
Energy: 0.908150482058418
Energy: 0.9081438442628167
Energy: 0.9962472009980252
Energy: 0.9155549320791965
Energy: 0.9113965331019867
Energy: 0.988964778201954
Energy: 0.9082212103417295
Energy: 0.9087059521345041
Energy: 0.9347376335253332
Energy: 0.9107278387385075
Energy: 0.908193448304219
Energy: 0.9861049934193504
Energy: 0.9739189948542614
Energy: 0.8901457105777663
Energy: 0.878930653360236
Energy: 0.9718511988702925
Energy: 0.8912411599389211
Energy: 0.9874163492352861
Energy: 0.8788029472035255
Energy: 0.8791937076997446
Energy: 1.0063241331176012
Energy: 0.8808389718669417
Energy: 0.8776789890902814
Energy: 1.0639705477463437
Energy: 0.906726373238183
Energy: 0.906282863903321
Energy: 0.9095290085936548
Energy: 0.9413028877040432
Energy: 0.9100642311377869
Energy: 1.0641547995668859
Energy: 0.9355810496269111
Energy: 0.9098097861927374
Energy: 0.9383874703013748
Energy: 0.8834958229199106
Energy: 0.9065364353792768
Energy: 0.9911436848899855
Energy: 0.8749310018758775
Energy: 0.8746173391723117
Energy: 0.9378387610942434
Energy: 0.880810561126109
Energy: 0.8746208183897733
Energy: 0.9964431670003229
Energy: 0.8753287191542256
Energy: 0.8750695999861051
Energy: 0.9969808078605719
Energy: 0.8835959529343
Energy: 0.8754483851775662
Energy: 0.933660496828355
Energy: 0.9111291891987635
Energy: 0.9071509743488351
Energy: 0.9355284814536684
Energy: 0.938015769149213
Energy: 0.9060802650369365
Energy: 0.8762267746067541
Energy: 0.9085064046633496
Energy: 0.9280972553131629
Energy: 0.9079337481306673
Energy: 0.9085515892469539
Energy: 0.9261889352326139
Energy: 0.9346863826442756
Energy: 0.9344870453266034
Energy: 0.9061697527666978
Energy: 0.9432831508828323
Energy: 0.9358917968744174
Energy: 0.9078563464397784
Energy: 1.0637216729946481
Energy: 1.0279236351541663
Energy: 0.9059831443747243
Energy: 0.9078133001302671
Energy: 1.0289128441339979
Energy: 0.9103871011463374
Energy: 0.9895818366718598
Energy: 0.8822574334533028
Energy: 0.8795104010529466
Energy: 0.936064021406893
Energy: 1.002528893563873
Energy: 0.8801169033694349
Energy: 0.9370838773725335
Energy: 0.8765085276131085
Energy: 0.8769089936348533
Energy: 0.9508416401783613
Energy: 0.8795880932616015
Energy: 0.9087699040436166
Energy: 0.881703649955194
Energy: 0.8766434469185789
Energy: 0.8754437778360106
Energy: 0.8816056588135297
Energy: 0.878426654774317
Energy: 0.9102381851431566
Energy: 0.8807715495087898
Energy: 0.9118184987680715
Energy: 0.877969047990271
Energy: 0.8793656567012383
Energy: 0.9094431176415876
Energy: 0.9076371661829652
Energy: 0.9766489133179443
Energy: 0.9108819099400498
Energy: 0.9119990379873891
Energy: 0.9773008202642176
Energy: 0.9109654579814704
Energy: 0.926574005107085
Energy: 0.9338475343845078
Energy: 0.9071821090081073
Energy: 0.9072548248674297
Energy: 0.8783911761360643
Energy: 0.9370572844386692
Energy: 0.8816275580242693
Energy: 0.9895769934714808
Energy: 0.918954128069395
Energy: 0.876318379816308
Energy: 0.8759284236245595
Energy: 1.0484319618618978
Energy: 0.8761032991715736
Energy: 0.9898192739875749
Energy: 0.9149211370293499
Energy: 0.9349064639328419
Energy: 0.8775002874840186
Energy: 0.9364580862089543
Energy: 0.9081807101224569
Energy: 0.9404636796272611
Energy: 0.9089443639949227
Energy: 0.912444194180944
Energy: 0.9423822496992091
Energy: 0.9081912139651969
Energy: 0.9119832601016504
Energy: 0.9354239665831168
Energy: 0.9092439578124628
Energy: 0.9066558997541245
Energy: 0.9388695191372762
Energy: 0.9351361248009648
Energy: 0.9107815166926102
Energy: 0.9377239126275065
Energy: 0.8798800809160348
Energy: 0.8807322390586568
Energy: 0.9384513281790254
Energy: 0.9337852996451854
Energy: 0.9079338648177713
Energy: 1.0750219297669397
Energy: 0.9091679736494305
Energy: 0.9106629452860474
Energy: 1.0770543524256029
Energy: 0.9120153784298658
Energy: 0.9113004265951425
Energy: 0.9868494785599028
Energy: 0.906408325632622
Energy: 0.8807904235919221
Energy: 0.9338572891343032
Energy: 0.8827309841675784
Energy: 0.9074378168726762
Energy: 0.9867351242060394
Energy: 0.9779940867474854
Energy: 0.8902295439592468
Energy: 0.8769766654566505
Energy: 0.9753354661035609
Energy: 0.889766156103296
Energy: 0.9894425559975468
Energy: 0.8792432656938741
Energy: 0.9073645949350185
Energy: 0.9982108475780715
Energy: 0.8825192593506465
Energy: 0.8782976263117235
Energy: 1.063991585456541
Energy: 0.9106059575313002
Energy: 0.9112704603736428
Energy: 0.9139891888369829
Energy: 0.9485291038835655
Energy: 0.9097656805390582
Energy: 1.0639567482354373
Energy: 0.9608527203945926
Energy: 0.9117129959884382
Energy: 0.9423398006634448
Energy: 0.8836256766841478
Energy: 0.9083421411597966
Energy: 0.9898620642818906
Energy: 0.8758419447749952
Energy: 0.8754276572351899
Energy: 0.9368098632066179
Energy: 0.8795592671786517
Energy: 0.879136791158605
Energy: 0.9973322877943789
Energy: 0.8753668710297587
Energy: 0.8750201711903725
Energy: 0.9977311668079447
Energy: 0.8756125323693009
Energy: 0.8751535664383783
Energy: 0.9328357516617826
Energy: 0.931334379667978
Energy: 0.9074052231567166
Energy: 0.9344141494439754
Energy: 0.9089354729095248
Energy: 0.9061586570344534
Energy: 0.9057179548708787
Energy: 0.9076579248914352
Energy: 0.9294773543066462
Energy: 0.9084451031242384
Energy: 0.9071924093437421
Energy: 0.929368238371234
Energy: 0.9334836737854606
Energy: 0.9330395299010182
Energy: 0.906753489909209
Energy: 0.9478528319895343
Energy: 0.9367025316625237
Energy: 0.906235643339691
Energy: 1.0610194078753001
Energy: 0.9619930702997167
Energy: 0.8810567622274514
Energy: 0.9450857516912146
Energy: 0.9376191826813689
Energy: 0.9121250952183908
Energy: 1.0636101358182761
Energy: 0.8831966239744671
Energy: 0.8801610560274226
Energy: 0.9389140701238821
Energy: 0.9998423086858156
Energy: 0.8803096024428009
Energy: 0.934333309062952
Energy: 0.8791050895686924
Energy: 0.8754908909808844
Energy: 0.9476557767138968
Energy: 0.8840139285317653
Energy: 0.9076119231912068
Energy: 0.9428001762174472
Energy: 0.8757315627878219
Energy: 0.8766466052558433
Energy: 0.9422055135529678
Energy: 0.8776596387557591
Energy: 0.8771025303296335
Energy: 0.8784976062909353
Energy: 0.8808503113614929
Energy: 0.8777679694341701
Energy: 0.8800073768413809
Energy: 0.8793909886179451
Energy: 0.8791176896763085
Energy: 0.9719255732732393
Energy: 0.9119159629363822
Energy: 0.9259228863542217
Energy: 0.9725737096766737
Energy: 0.9107746282477368
Energy: 0.9287875826491732
Energy: 0.9337416794085863
Energy: 0.906677859897772
Energy: 0.9062341681332219
Energy: 0.9088613006984592
Energy: 0.9371984540004409
Energy: 0.9076522392333136
Energy: 1.1329244826084053
Energy: 0.8805333151609841
Energy: 0.8751491881922432
Energy: 0.8860555724314837
Energy: 1.0461949521956837
Energy: 0.8750481271611814

minimum gb energy = 0.8746173391723117 eV
minimum distance =  2.31186531490651 Angstroms
sigma value = 67


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

Energy: 1.242804008913316
Energy: 1.0072800168581917
Energy: 0.9214592962232836
Energy: 0.9368637271835403
Energy: 1.0060006346815016
Energy: 0.9201688236558656
Energy: 0.9834459702410486
Energy: 0.9296917592573749
Energy: 0.9290089488751375
Energy: 0.9290444458201118
Energy: 0.9331844419564095
Energy: 0.9286174865314398
Energy: 0.9882190095195529
Energy: 0.8788658256306577
Energy: 0.9279758657659088
Energy: 0.9288604132967212
Energy: 0.8775580422184985
Energy: 0.9281716391035874
Energy: 0.9876650374851275
Energy: 0.9257594735722365
Energy: 0.925426185852579
Energy: 0.9332887291823594
Energy: 0.9256857298858433
Energy: 0.9252808991853548
Energy: 0.9780072617214872
Energy: 0.9317232565844733
Energy: 0.9318276353876459
Energy: 0.9787449006330993
Energy: 0.9312601399076862
Energy: 0.9322397569722692
Energy: 0.9799420934984847
Energy: 0.9172527268130544
Energy: 0.9347645912650749
Energy: 0.9802970389895386
Energy: 0.9173772952202623
Energy: 0.9357579126727099
Energy: 1.0676322678961303
Energy: 0.9301937501382634
Energy: 0.9290165546005329
Energy: 0.8820924078614355
Energy: 0.9346239488659632
Energy: 0.9287298492358046

minimum gb energy = 0.8775580422184985 eV
minimum distance =  2.35419507301774 Angstroms
sigma value = 3


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

Energy: 1.6541949485224257
Energy: 1.1931808488663853
Energy: 1.0644131609921288
Energy: 1.0156253710553202
Energy: 1.6367090811397154
Energy: 1.110161834643078
Energy: 1.0311157533048565
Energy: 1.023922379739597
Energy: 1.050852006595208
Energy: 1.0698107158570425
Energy: 0.993424012444472
Energy: 0.9779292213802725
Energy: 1.0317195725015968
Energy: 1.0054529669779464
Energy: 1.0045144359568825
Energy: 0.9781066191533109
Energy: 1.0069492017234107
Energy: 0.9781467205204573
Energy: 1.0394699143940909
Energy: 0.9786539157247788
Energy: 1.031030453781161
Energy: 1.0385949515624806
Energy: 1.0039637613745482
Energy: 0.9783722915043518
Energy: 1.042933029063508
Energy: 0.9828575140929985
Energy: 1.0312268118286734
Energy: 1.0434510789706923
Energy: 1.0316293724603027
Energy: 0.9828104514849192
Energy: 1.0306525101932256
Energy: 1.0320630336367458
Energy: 1.0315995880033184
Energy: 1.0304578228037709
Energy: 1.0307046014489405
Energy: 1.0307109869487512
Energy: 1.0310804116351586
Energy: 1.0725422964906604
Energy: 1.0739185849412094
Energy: 1.0723481596558235
Energy: 1.072334881293952
Energy: 1.077131883958286
Energy: 1.291283919859782
Energy: 1.0728688358192762
Energy: 1.0688436191332504
Energy: 1.0078414743413655
Energy: 1.1197118131219368
Energy: 1.1635393036077866
Energy: 1.033072680137993
Energy: 1.0395706388600068
Energy: 1.0384490337315737
Energy: 1.0753311153337857
Energy: 1.0729471233917003
Energy: 1.064359466318745
Energy: 1.0458669956390942
Energy: 1.01127109903122
Energy: 1.011537662998005
Energy: 1.0525724886219379
Energy: 1.0165208498827571
Energy: 1.010295246737855
Energy: 1.1381652385805034
Energy: 1.0054987725273314
Energy: 1.0102669544649576
Energy: 1.1372717560812713
Energy: 1.036393427172277
Energy: 1.0532909879303787
Energy: 1.135730798275438
Energy: 1.0404721319431716
Energy: 1.0383738448571207
Energy: 1.1162388818788138
Energy: 1.0407779845105474
Energy: 1.037524647422761
Energy: 1.0833806435804687
Energy: 1.0327475400782482
Energy: 1.032637650952898
Energy: 1.003416608306456
Energy: 1.031410322354781
Energy: 1.0320240387740347
Energy: 1.1088270993862002
Energy: 1.0318118274258252
Energy: 1.0321451745748176
Energy: 1.0685504464647961
Energy: 1.0377154330925125
Energy: 1.032493242022663
Energy: 1.1474298073622033
Energy: 1.0325903861176886
Energy: 1.108094262875884
Energy: 1.0052832023410883
Energy: 1.0321300521921004
Energy: 1.037781793311246
Energy: 1.1095846192501462
Energy: 1.0413728808038867
Energy: 1.0363287584477618
Energy: 1.0589495610146196
Energy: 1.0379125714969015
Energy: 1.035866947011087
Energy: 1.2865287744904257
Energy: 1.012054331577107
Energy: 1.0120967402690164
Energy: 1.288095135196044
Energy: 1.0127243604778502
Energy: 1.1020757053164234
Energy: 1.068913518775784
Energy: 1.005493511088372
Energy: 1.0778450056522235
Energy: 1.0968250214457442
Energy: 1.0568457645702198
Energy: 1.067576623923985
Energy: 1.1164861554082677
Energy: 1.0390074784133139
Energy: 1.0385848295592497
Energy: 1.011028497910815
Energy: 1.0857160472537044
Energy: 1.010965925573838
Energy: 1.2133501088064416
Energy: 1.04285283647272
Energy: 1.0397250644181277
Energy: 1.0113702411509038
Energy: 1.0534882818889426
Energy: 1.011112987268465
Energy: 1.0682706557264912
Energy: 1.076745939114528
Energy: 1.0707400707210748
Energy: 1.0798093737900474
Energy: 1.079953464471279
Energy: 1.0647592815402782
Energy: 1.0691866528118883
Energy: 1.0713314621666443
Energy: 1.0699191956453489
Energy: 1.062918724675541
Energy: 1.0665260436989008
Energy: 1.0675641683249066
Energy: 1.0707338162894038
Energy: 1.070040115393738
Energy: 1.0703202784138603
Energy: 1.0725605010737052
Energy: 1.0671905027147197
Energy: 1.0871820304379238
Energy: 1.073954042927251
Energy: 1.0084156093897778
Energy: 1.0073452905950906
Energy: 1.0737776682080948
Energy: 1.0086158780074301
Energy: 1.0820265767213382
Energy: 1.038732371094966
Energy: 1.081683055888926
Energy: 1.05289591916298
Energy: 1.12775915680006
Energy: 1.066049955806456
Energy: 1.0535413287714854
Energy: 1.2359076356677283
Energy: 1.0761321902317587
Energy: 0.9785959092932802
Energy: 1.0106939669127604
Energy: 1.071142512773508
Energy: 0.9765339057346809
Energy: 0.9803456159213807
Energy: 1.0804250505068314
Energy: 0.9786841144470325
Energy: 1.0129762070533725
Energy: 1.1622173165988432
Energy: 0.9757802424546459
Energy: 1.042717279624552
Energy: 1.0488634803140808
Energy: 1.0534589003992982
Energy: 1.0724808477447667
Energy: 1.0783030377270435
Energy: 1.0529271838572676
Energy: 1.034944428433157
Energy: 1.0066080864361433
Energy: 1.0053276544082075
Energy: 1.0352247193498052
Energy: 1.00736862362376
Energy: 1.0374668115436803
Energy: 1.0361482545486183
Energy: 1.0447656105735086
Energy: 1.0364268766463565
Energy: 1.0384579142936758
Energy: 1.0696917970736348
Energy: 1.0379812866006846
Energy: 1.03589602585126
Energy: 1.0362228326538583
Energy: 1.0358124467476721
Energy: 1.0386075475220036
Energy: 1.0937781907767443
Energy: 1.0443914806464327
Energy: 1.0439907575306493
Energy: 1.0345734939876259
Energy: 1.0363439615618062
Energy: 1.0592416970880754
Energy: 1.10645349702188
Energy: 1.0352186829174146
Energy: 1.290724204107419
Energy: 1.1182209937022922
Energy: 1.1098304994621349
Energy: 1.005460413776099
Energy: 1.141792569965521
Energy: 1.0112586524556542
Energy: 1.024851499657519
Energy: 1.0411345114356971
Energy: 1.03924515486931
Energy: 1.0342313154634926
Energy: 1.0629827915168883
Energy: 1.0361515881708119
Energy: 1.034823771298915
Energy: 1.0307163399879051
Energy: 1.009799895630719
Energy: 1.0763859389322978
Energy: 1.0276523702315934
Energy: 1.0354671531720556
Energy: 1.1656091247388543
Energy: 1.0113585162564827
Energy: 1.0115689783596402
Energy: 1.165696138454291
Energy: 1.0163653049181376
Energy: 1.010048100483972
Energy: 1.108532081647732
Energy: 1.0374456077365204
Energy: 1.0367178191227895
Energy: 1.0943429721912499
Energy: 1.051032900491417
Energy: 1.0361482677595912
Energy: 1.256223187472694
Energy: 1.034260007629532
Energy: 1.0332281317240983
Energy: 1.0044074852268927
Energy: 1.0344809271254103
Energy: 1.1148167546466188
Energy: 1.1145480296457526
Energy: 1.0324796258323679
Energy: 1.0324165166726051
Energy: 1.1111302903712832
Energy: 1.0380898138020094
Energy: 1.0313301068908465
Energy: 1.1469974732324901
Energy: 1.0328309586924291
Energy: 1.0331963994406246
Energy: 1.0043470728816881
Energy: 1.0325713909013021
Energy: 1.0338979946973748
Energy: 1.1394010819351568
Energy: 1.0393420899053294
Energy: 1.0383289706713903
Energy: 1.1098501057243022
Energy: 1.1265681359904767
Energy: 1.0382232722300313
Energy: 1.14340905468605
Energy: 1.0042146422597744
Energy: 1.0100076765065675
Energy: 1.116618900392402
Energy: 1.0424972503633423
Energy: 1.0829049971816835
Energy: 1.2239290873301873
Energy: 1.0117471874473343
Energy: 1.011332594205189
Energy: 1.232602160986707
Energy: 1.0170824092312807
Energy: 1.085716711688999
Energy: 1.0661089704553002
Energy: 1.0455195406270565
Energy: 1.0381983333167304
Energy: 1.036584216638321
Energy: 1.0587798844086411
Energy: 1.0378981506326537
Energy: 1.4338927201049574
Energy: 1.0018333896291114
Energy: 1.0657888853900654
Energy: 1.0493629455752578
Energy: 1.004325711958297
Energy: 1.0121948573850559
Energy: 1.0671844224144509
Energy: 1.0716292130380853
Energy: 1.0727980155568366
Energy: 1.0795730365787823
Energy: 1.0014804351835498
Energy: 1.069399189495854
Energy: 1.0647396069602633
Energy: 1.0611291135397967
Energy: 1.0617179363934262
Energy: 1.0587702569660844
Energy: 1.0624102393922803
Energy: 1.0607495319010587
Energy: 1.0782548630902908
Energy: 1.0101665363189027
Energy: 1.0631976422855582
Energy: 1.0635961960088702
Energy: 1.0713218832792475
Energy: 1.0120108281711961
Energy: 1.0684109071942152
Energy: 1.0044028078298193
Energy: 1.031935305378357
Energy: 1.068969181735155
Energy: 1.0060478524733085
Energy: 0.9785474716314159
Energy: 1.0310297864791766
Energy: 1.005053803411431
Energy: 1.0047102026557693
Energy: 0.9777397380090221
Energy: 1.006000619534105
Energy: 0.9783602865980694
Energy: 1.0035206958337355
Energy: 1.0263810096673878
Energy: 1.0289547840848583
Energy: 1.0497821916082226
Energy: 1.0120990693013938
Energy: 1.0109832630734317

minimum gb energy = 0.9757802424546459 eV
minimum distance =  2.31147863078176 Angstroms
sigma value = 81


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

Energy: 1.9630449079435668
Energy: 1.1269630688868995
Energy: 1.0460922416208533
Energy: 1.0539161043318372
Energy: 1.1272940918965582
Energy: 1.0461507579956184
Energy: 1.0083010006435833
Energy: 1.0342793661516476
Energy: 1.0393390031544103
Energy: 1.0157350963402234
Energy: 0.9880601811735671
Energy: 1.0411198330448344
Energy: 1.0707572729222614
Energy: 1.0019740967910673
Energy: 1.0051605331632787
Energy: 1.0481280679934242
Energy: 0.9948164759470349
Energy: 1.005898710111146
Energy: 1.0083392441392123
Energy: 1.0027732159223082
Energy: 1.0517107902161638
Energy: 1.0084951510261757
Energy: 0.9954656256563246
Energy: 1.0462661412049976
Energy: 1.008302875251606
Energy: 1.0075847897992278
Energy: 1.0070405719990496
Energy: 1.0084650117358627
Energy: 1.0563386247706061
Energy: 1.007023854249542
Energy: 1.007755242726701
Energy: 1.0076181354185885
Energy: 1.0080853999368518
Energy: 1.0079624007950398
Energy: 1.0318934770596413
Energy: 1.0072569688424675
Energy: 1.0078584902861534
Energy: 1.025594259106432
Energy: 0.98274944221185
Energy: 1.0052030520610624
Energy: 0.987253571196935
Energy: 1.0206045445789784
Energy: 1.2376423397601037
Energy: 1.1646348362508232
Energy: 1.1632095203179438
Energy: 0.9617628469591795
Energy: 1.1513890141559424
Energy: 1.0079327404793665
Energy: 1.004474046157862
Energy: 0.9827689569776443
Energy: 1.0190035008638596
Energy: 1.009009508992185
Energy: 0.9869227527070623
Energy: 1.0180210715521691
Energy: 1.0649745052250796
Energy: 0.9527877115461261
Energy: 0.9527810581640526
Energy: 1.0862520785271925
Energy: 0.9523587855069771
Energy: 0.9528253401585992
Energy: 0.9512833341776136
Energy: 1.007272980224062
Energy: 0.9519134961143205
Energy: 0.9529367881293658
Energy: 0.9769642014029448
Energy: 0.9851036062959422
Energy: 0.9869719907379778
Energy: 0.9820352646227862
Energy: 0.9822282594191675
Energy: 0.9586424291659649
Energy: 0.9876605706697773
Energy: 1.0236191461550124
Energy: 1.0399844824342153
Energy: 1.0387390700479895
Energy: 0.9699961658645587
Energy: 0.9949283317782626
Energy: 1.0382261395575443
Energy: 1.003292717103319
Energy: 0.9548721036501941
Energy: 0.9822064370606094
Energy: 1.0372318228354036
Energy: 1.009933102582808
Energy: 0.9818355797106642
Energy: 1.035646359992338
Energy: 1.2513850609541917
Energy: 0.9836342724066801
Energy: 0.9273871400236853
Energy: 0.967927340373498
Energy: 0.9823613362715389
Energy: 0.9276702138557013
Energy: 0.9507817213756029
Energy: 0.9281263028000937
Energy: 0.927790416958842
Energy: 0.9509134671339879
Energy: 0.9272401626819184
Energy: 0.9713663476208778
Energy: 1.2175164332253992
Energy: 0.961321289750428
Energy: 0.9607002664418058
Energy: 1.2180898885552935
Energy: 0.9618387835854256
Energy: 1.0065109582456921
Energy: 0.9260496608429607
Energy: 0.9271561014103715
Energy: 0.9266298872673486
Energy: 0.9262094189297811
Energy: 0.9267570435590637
Energy: 0.963841340366405
Energy: 0.9277354781222378
Energy: 0.9268891741309052
Energy: 0.926922382448679
Energy: 0.9324760388758987
Energy: 0.9309817641253968
Energy: 0.9268907486040889
Energy: 0.928217472890883
Energy: 0.9274637971649783
Energy: 0.927576524370373
Energy: 0.9281778524918809
Energy: 0.9275965242864554
Energy: 0.9276886109831246
Energy: 0.9262177314241998
Energy: 0.926666929510812
Energy: 0.9273130243467241
Energy: 0.9266500523612299
Energy: 0.92669824346725
Energy: 0.994017750149042
Energy: 1.0600644455307082
Energy: 0.9595571769686183
Energy: 1.0248994495778323
Energy: 1.0609559118926286
Energy: 0.9594412604154714
Energy: 1.0644063644296475
Energy: 0.954163615362036
Energy: 0.9296877103717757
Energy: 0.9895968004987035
Energy: 0.9536277357519986
Energy: 0.927354117847834
Energy: 0.927083818756364
Energy: 1.055189581988883
Energy: 0.9307719037487362
Energy: 0.930357448868484
Energy: 0.9275962249354489
Energy: 0.9306001550923989
Energy: 0.9285378802097594
Energy: 0.9545509176546458
Energy: 1.0205250030313373
Energy: 0.9304412744503868
Energy: 1.011193614906284
Energy: 0.9863975782336681
Energy: 0.9318662603076282
Energy: 0.9825851963996959
Energy: 1.0083827617136223
Energy: 1.01795966705348
Energy: 0.9606686451456137
Energy: 1.2328884825437114
Energy: 1.0184217136116116
Energy: 0.9825634408910495
Energy: 0.9819381764869839
Energy: 0.9818868011908017
Energy: 1.0005429350080934
Energy: 0.9863620713471531
Energy: 1.0200831245274635
Energy: 0.9552057380848545
Energy: 0.9873375434135951
Energy: 0.985894107311011
Energy: 0.9529292690473218
Energy: 0.976775466561549
Energy: 0.9849517154026095
Energy: 1.0080647031694085
Energy: 0.9530714069766881
Energy: 0.9536063799030784
Energy: 1.0289311566090316
Energy: 0.9529056886091181
Energy: 0.9533493713471759
Energy: 1.0082603927108176
Energy: 0.9827704283681177
Energy: 1.0249932814350857
Energy: 1.0096892929899701
Energy: 0.9867858288787932
Energy: 1.0371775641016112
Energy: 1.0391784150196506
Energy: 1.0506272037626208
Energy: 0.9819163233677455
Energy: 0.9948327622572264
Energy: 1.0658200272367238
Energy: 0.960823518947685
Energy: 1.0109069424600716
Energy: 0.9819802137306968
Energy: 0.9821594475074739
Energy: 0.9851880294173814
Energy: 0.9840535830698202
Energy: 1.0245399862833682
Energy: 1.014717727092464
Energy: 1.030861986157544
Energy: 1.0311534090854682
Energy: 1.0338934931157329
Energy: 1.0205252346440412
Energy: 1.0379007838129848
Energy: 1.0165243839880733
Energy: 1.0341716835302277
Energy: 1.0399621716233831
Energy: 1.0169125021159382
Energy: 1.0343602024821021
Energy: 1.0398402397001052
Energy: 1.0162547155744115
Energy: 1.0404036413563007
Energy: 1.0407048218281072
Energy: 1.016593773220094
Energy: 0.9611315443076396
Energy: 1.0082834583665883
Energy: 1.1776660664345746
Energy: 0.9620481688040656
Energy: 0.9617477592345914
Energy: 1.1725528774702234
Energy: 0.9615675526849519
Energy: 1.1202348971559328
Energy: 1.0097264111182636
Energy: 1.033722030796646
Energy: 1.039318169705021
Energy: 1.015443988290239
Energy: 0.9878147737722421
Energy: 1.0426683271383146
Energy: 1.1713000765004493
Energy: 0.9747821887672404
Energy: 1.0640390442480434
Energy: 0.9599893522435297
Energy: 0.9867732165125078
Energy: 1.0321827635011989

minimum gb energy = 0.9260496608429607 eV
minimum distance =  2.31556816399795 Angstroms
sigma value = 43


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

Energy: 1.7359628362948658
Energy: 1.275140987785637
Energy: 1.1070473584508216
Energy: 1.0247063847569393
Energy: 1.2751913955423608
Energy: 1.0215682990550168
Energy: 0.980356827232619
Energy: 0.9866729825885144
Energy: 0.9678336449836262
Energy: 1.0524402877584194
Energy: 0.989499025217901
Energy: 0.9811497947607299
Energy: 0.9901062882717224
Energy: 0.9631286616342384
Energy: 0.9636110666745135
Energy: 1.0351966340887246
Energy: 0.9623298258070063
Energy: 0.9809001652467162
Energy: 0.9802602509888352
Energy: 0.9620061947457378
Energy: 0.9814509100876325
Energy: 0.981056175711573
Energy: 0.9675068870290675
Energy: 0.9803266432496714
Energy: 0.9800045595775863
Energy: 1.0103275863973895
Energy: 1.0289515890089276
Energy: 0.9801898102533942
Energy: 1.0296058397735262
Energy: 1.0287905654160263
Energy: 0.9819009165440455
Energy: 1.0310576497655748
Energy: 1.0111483047914087
Energy: 1.0322110087088467
Energy: 0.9954579885448263
Energy: 1.0136017406994096
Energy: 0.9806522116207347
Energy: 0.9796557037718915
Energy: 0.9799217656972169
Energy: 0.9808394074577451
Energy: 0.9797112997506939
Energy: 0.9811474662030494
Energy: 1.0519030731336376
Energy: 0.9893709296763681
Energy: 0.9888597588265314
Energy: 0.9673124866159436
Energy: 0.99083708000881
Energy: 0.9844923622754983
Energy: 0.9817458574943315
Energy: 0.980189201033704
Energy: 0.9804385356601589
Energy: 0.9818537606594016
Energy: 0.9800932522751392
Energy: 0.980237958563432
Energy: 0.9811077514878483
Energy: 0.9810359042877309
Energy: 0.9811977637573219
Energy: 0.9737279200196833
Energy: 0.9812777927320232
Energy: 0.9813712008597371
Energy: 0.9661656587073589
Energy: 0.9650903389316494
Energy: 0.9655244128823548
Energy: 0.9813089169397297
Energy: 0.9728515961253462
Energy: 0.9663011661453217
Energy: 1.002062560887355
Energy: 0.9800946985577502
Energy: 0.9800151642410444
Energy: 0.9609916952895755
Energy: 0.9811710141074955
Energy: 0.9800141356793615
Energy: 1.000293381913385
Energy: 0.9814157129239347
Energy: 0.9974870588679923
Energy: 0.9636910813293542
Energy: 0.9823732006010033
Energy: 0.9973949502972839
Energy: 0.9667054955941506
Energy: 0.9803689141702165
Energy: 0.9686933387484236
Energy: 0.981595723355027
Energy: 0.9799158797526138
Energy: 0.9675582554772065
Energy: 0.9671139674594076
Energy: 0.9678967614432191
Energy: 0.9668333998828521
Energy: 0.967372666979178
Energy: 0.9608308279837785
Energy: 0.9818827967836579
Energy: 0.9680837893049855
Energy: 1.0292968750056493
Energy: 0.9818142215226348
Energy: 0.9667161563422018
Energy: 0.9993680115688239
Energy: 0.9660570198578119
Energy: 0.9723698480389522
Energy: 0.9694660395535298
Energy: 0.9695603059478162
Energy: 0.97205767067864
Energy: 0.9803632324794848
Energy: 0.969544451034938
Energy: 0.9700307792482418
Energy: 0.965830849547999
Energy: 0.9664002193921483
Energy: 0.9940319203310937
Energy: 0.9663309273655706
Energy: 0.9667091137640529
Energy: 0.9818690447360205
Energy: 0.9671647018958266
Energy: 0.9669940019550203
Energy: 0.9883527982469786
Energy: 0.9673367347752823
Energy: 0.9797011650094595
Energy: 0.9812881140682914
Energy: 0.9677449214918987
Energy: 0.9678440305635361
Energy: 1.0131457891346063
Energy: 0.967208595970271
Energy: 0.9798626024000359
Energy: 0.968382142692734
Energy: 0.966768439291692
Energy: 0.9671080495216771
Energy: 0.9932235295475806
Energy: 0.9990007775578467
Energy: 0.9662416527449128
Energy: 1.1581835329160892
Energy: 0.9991297868225953
Energy: 0.9991700394416471
Energy: 1.1583344015687573
Energy: 0.9668430720682092
Energy: 1.0820233625885554
Energy: 1.0533305011351322
Energy: 0.96665192916296
Energy: 0.9666980658457952
Energy: 0.9940886997307895
Energy: 1.0006701731242331
Energy: 0.9659267140164775
Energy: 1.0953474809214305
Energy: 0.9698774386524481
Energy: 0.969292161913979
Energy: 0.9677689160258361
Energy: 1.1971054423555587
Energy: 0.9688488397952202
Energy: 1.0518046906772818
Energy: 0.966643675754679
Energy: 0.9666408780171674
Energy: 1.015699348497193
Energy: 0.9666025077925583
Energy: 0.9665075815420378
Energy: 1.0538991524969987
Energy: 0.9664288279565995
Energy: 0.981727269742161
Energy: 0.9677273211234062
Energy: 0.9668715647073426
Energy: 0.9697155319100732
Energy: 1.0533793207988236
Energy: 0.9999038785566295
Energy: 0.9808927510250226
Energy: 0.9798275770047236
Energy: 0.9876287126858383
Energy: 0.9813304142025906
Energy: 1.0501523709416052
Energy: 0.9712866841038023
Energy: 0.9802663506373116
Energy: 0.9804101575440032
Energy: 0.9879947526553301
Energy: 0.98018405953158
Energy: 1.0131023051610193
Energy: 0.9806419373198557
Energy: 0.9807876682513701
Energy: 1.013094701363817
Energy: 0.9664551925525889
Energy: 0.9809192108236084
Energy: 0.9807615595018738
Energy: 0.9864780453886808
Energy: 0.9682945973712621
Energy: 1.0510514948839225
Energy: 0.9818666130523
Energy: 0.9801848123716317
Energy: 0.9659611596565212
Energy: 1.0676660785953693
Energy: 1.0402131187227577
Energy: 0.9982706826409843
Energy: 1.0659966970708867
Energy: 0.9631537008462764

minimum gb energy = 0.9608308279837785 eV
minimum distance =  2.31558893112858 Angstroms
sigma value = 57


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

Energy: 1.3077938256306836
Energy: 1.1884847716912508
Energy: 1.0363302112098087
Energy: 0.9735656584112614
Energy: 1.1877781461322279
Energy: 1.0366428964656604
Energy: 0.9772626632735274
Energy: 0.9808883298617935
Energy: 0.9792715699992167
Energy: 0.9932311014668526
Energy: 0.993496828431973
Energy: 0.973507490783118
Energy: 1.005733405766094
Energy: 0.9580815385000285
Energy: 0.9366151350333705
Energy: 0.9962889695499698
Energy: 0.9563169178741449
Energy: 0.9164358334520468
Energy: 0.9782923724424448
Energy: 0.9552978232379616
Energy: 0.9350218778637811
Energy: 0.9788606856291114
Energy: 0.9359190159624464
Energy: 0.9779491199955309
Energy: 0.9786839210478695
Energy: 0.9813288748791963
Energy: 0.9931385641681145
Energy: 0.9785639179632658
Energy: 0.9820801500601173
Energy: 0.9769077058184047
Energy: 0.9518686532006636
Energy: 0.9738741068324884
Energy: 0.9756726496997695
Energy: 0.9707837487365241
Energy: 0.9828077996213536
Energy: 0.9564810448973935
Energy: 0.9939923821100878
Energy: 0.9765345464828089
Energy: 0.9767481717560608
Energy: 0.9936114780554154
Energy: 0.9780543422039311
Energy: 0.9808844867828717
Energy: 0.9747846800198701
Energy: 0.9823800554238324
Energy: 0.98213205980423
Energy: 0.9684948379935149
Energy: 0.9836589327743255
Energy: 0.9866024895435854
Energy: 0.9939013476455772
Energy: 0.9783744244309436
Energy: 0.9782075735904103
Energy: 0.9937939911182506
Energy: 0.9795316010295272
Energy: 0.968177256462315
Energy: 0.9978098521446281
Energy: 0.9746102847487295
Energy: 0.9751442225970185
Energy: 0.9984455934323216
Energy: 0.9725723695177483
Energy: 0.9747242007434787
Energy: 0.9954225705961629
Energy: 0.9717970113000403
Energy: 0.99185452620823
Energy: 0.9961326896468945
Energy: 0.9763798335426457
Energy: 0.9781909993313381
Energy: 0.9146705026506078
Energy: 0.9783100320602809
Energy: 0.9775999694420786
Energy: 0.917467998210615
Energy: 0.9964673295887061
Energy: 1.02674519243894
Energy: 0.9149851085336879
Energy: 0.978830361911806
Energy: 1.026248421116293
Energy: 0.9547280600735075
Energy: 0.9797863331392109
Energy: 1.0264153468567054
Energy: 0.9835600067232244
Energy: 0.9649760659107579
Energy: 0.9693747820235825
Energy: 0.9929378541391785
Energy: 0.9929713709417844
Energy: 0.9814760472776001
Energy: 0.9974674533215027
Energy: 0.9202287738948106
Energy: 0.9233492857355565
Energy: 0.9970051478184974
Energy: 0.9191930144375696
Energy: 0.9216172410892033
Energy: 0.9784344330484812
Energy: 0.9734827133999223
Energy: 0.9728215110621165
Energy: 0.9796530982736714
Energy: 1.0093781475727301
Energy: 0.9806610612611283
Energy: 0.9795433520173209
Energy: 0.9566001797059746
Energy: 0.9752962656567691
Energy: 0.9832612196105617
Energy: 0.9570752036632607
Energy: 0.9747184126808894
Energy: 0.9784773119080139
Energy: 0.9901113179295827
Energy: 0.9560606296777807
Energy: 0.9832237787213979
Energy: 0.9784964329311203
Energy: 0.9738914686884658
Energy: 0.9942597220937915
Energy: 0.9777896630958651
Energy: 0.9773886318197454
Energy: 0.9838869594141744
Energy: 0.9787997851107024
Energy: 0.9921488737742701
Energy: 0.9939771879201311
Energy: 0.9776950853417726
Energy: 0.9955247721623783
Energy: 0.9836596673548451
Energy: 0.9776822283944197
Energy: 0.9909903795754774
Energy: 0.9936926716100069
Energy: 0.9827552738985895
Energy: 0.9580552605775289
Energy: 0.9947635360890293
Energy: 0.9830524099335758
Energy: 0.9742590282979482
Energy: 1.1138887175836254
Energy: 0.9799637337683296
Energy: 0.974084368696686
Energy: 1.1144695658111337
Energy: 0.9727541235292102
Energy: 0.9794409448389528
Energy: 0.9833132166919084
Energy: 0.9826038647964477
Energy: 0.9840949047604624
Energy: 0.9936536484164988
Energy: 0.9931900366921349
Energy: 0.9756756224210292
Energy: 0.9150362065879416
Energy: 0.9782838318931761
Energy: 1.0260805695265343
Energy: 0.9547907105935418
Energy: 0.9815072787892443
Energy: 1.0264377804920666

minimum gb energy = 0.9146705026506078 eV
minimum distance =  2.29505032092766 Angstroms
sigma value = 17


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

Energy: 1.5146229331198198
Energy: 1.0225645158693433
Energy: 1.094471079533061
Energy: 0.9781623020108033
Energy: 1.0140749542271097
Energy: 1.0142928913679523
Energy: 0.988459580694348
Energy: 1.0335223272995022
Energy: 1.045187909133419
Energy: 1.0612399350084945
Energy: 1.0347741042155396
Energy: 0.9821325242268719
Energy: 1.2651046550547416
Energy: 0.9526000701143313
Energy: 0.9318012868754755
Energy: 1.0334238591539644
Energy: 0.9287252948097575
Energy: 0.9286822685568406
Energy: 1.0327499627829049
Energy: 0.9409886934558125
Energy: 0.9289833548861622
Energy: 1.0328676226197457
Energy: 0.8742690291304411
Energy: 1.0243897225033378
Energy: 0.9169995534159222
Energy: 0.9461192590735437
Energy: 0.9580114171341897
Energy: 0.9168538319280778
Energy: 0.9453347635283686
Energy: 0.9575474376064268
Energy: 0.9833069114969449
Energy: 0.9467991890645738
Energy: 0.9579435649606455
Energy: 0.9475640522647287
Energy: 0.9033663862160495
Energy: 0.9599834955239662
Energy: 0.9025125133656423
Energy: 0.9017751976841917
Energy: 0.9019477820137063
Energy: 0.9036064193002371
Energy: 0.9036050904121564
Energy: 0.928485608767044
Energy: 0.9521173106878964
Energy: 0.9560911857470287
Energy: 0.9569222109396307
Energy: 0.9544671880156304
Energy: 0.9549490348372677
Energy: 0.9749797495979203
Energy: 0.905889105356318
Energy: 0.9540115379888847
Energy: 0.951884314688696
Energy: 0.903432012443316
Energy: 0.9467851649418213
Energy: 0.9031765670392174
Energy: 0.90254593380362
Energy: 0.9585665151449929
Energy: 0.9574604722984406
Energy: 0.9028748597095597
Energy: 0.9585160067114786
Energy: 0.9471476611644991
Energy: 0.9238320678750193
Energy: 0.9570396063589088
Energy: 0.946866333690828
Energy: 0.9457000007299223
Energy: 0.9172831592924442
Energy: 0.9468267948489576
Energy: 0.9175615621585528
Energy: 1.0324152748418516
Energy: 1.032620265536385
Energy: 0.9177793658376838
Energy: 1.0343152033808494
Energy: 1.0331047880891273
Energy: 0.9160794065457231
Energy: 1.026724624460418
Energy: 1.0529023006421216
Energy: 0.9454210509363427
Energy: 1.024345887937964
Energy: 1.052101531848266
Energy: 1.054179296477086
Energy: 1.0343229292886813
Energy: 0.9890002077082258
Energy: 1.0481319873536121
Energy: 1.0351684101467113
Energy: 0.9710733590059932
Energy: 1.0330107084832107
Energy: 1.0213429201715
Energy: 1.0560196337005183
Energy: 1.0150179190246382
Energy: 1.0215564635989922
Energy: 1.0573048407610177
Energy: 1.1671290089770283
Energy: 1.0616892732363243
Energy: 0.983902729100894
Energy: 1.0609819119940362
Energy: 1.0472852297724793
Energy: 1.0338325321169142
Energy: 0.8756041191777885
Energy: 1.0344431160655863
Energy: 1.1363070295106477
Energy: 0.8754420362100379
Energy: 1.0349743608024822
Energy: 1.1361823338529187

minimum gb energy = 0.8742690291304411 eV
minimum distance =  2.30761439483242 Angstroms
sigma value = 17


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

Energy: 1.6059934488755114
Energy: 1.0385444137935633
Energy: 0.9855168368031691
Energy: 0.930445566387379
Energy: 1.0382491492045702
Energy: 0.9853079800888701
Energy: 1.109221585086593
Energy: 1.0241183096006046
Energy: 0.9195385176333706
Energy: 1.0231826712699725
Energy: 1.0273290852253911
Energy: 0.9637885432274688
Energy: 1.2179254181882377
Energy: 0.9011388525958486
Energy: 0.9337007204731171
Energy: 1.0240875107662535
Energy: 0.9022243736975498
Energy: 0.9306294381751096
Energy: 1.029283508816446
Energy: 0.9312761586775452
Energy: 0.929555040744772
Energy: 1.0300506444807462
Energy: 0.8786616911749234
Energy: 0.9284042780971117
Energy: 0.9012360536427165
Energy: 0.920633121002182
Energy: 0.9203478180153088
Energy: 0.9014411064852212
Energy: 0.8883723233252854
Energy: 0.918780533049368
Energy: 0.8766838885167816
Energy: 0.886189661672975
Energy: 0.898638620344045
Energy: 0.9019690301860359
Energy: 0.8869291097060708
Energy: 0.8996793076079801
Energy: 0.8282869053429056
Energy: 0.8867915347950427
Energy: 0.8864020345972294
Energy: 0.8608754026406583
Energy: 0.8902714148049286
Energy: 0.8899010233853086
Energy: 0.8290142744260268
Energy: 0.8808428041120768
Energy: 0.8908295314901745
Energy: 0.9015370940728077
Energy: 0.8805762624746987
Energy: 0.889615536641072
Energy: 0.8301775974755782
Energy: 0.8665766581519617
Energy: 0.8288149436016994
Energy: 0.8317216576685801
Energy: 0.8468022611525494
Energy: 0.8293662881258956
Energy: 0.8293201605713045
Energy: 0.8860309786141203
Energy: 0.8860965997863722
Energy: 0.8292886479658662
Energy: 0.8854117129492375
Energy: 0.8858325321126537
Energy: 0.8444765182176415
Energy: 0.8287451343297065
Energy: 0.8844298977797765
Energy: 0.8839797154493165
Energy: 0.8300111034326959
Energy: 0.8846752154876056
Energy: 0.8324294787720328
Energy: 0.8300399017216871
Energy: 0.8295123871583586
Energy: 0.83389044980176
Energy: 0.835083606446616
Energy: 0.8684973342172501
Energy: 0.8315042024002702
Energy: 0.8681210482588799
Energy: 0.8893057935431763
Energy: 0.8908822795269979
Energy: 0.8711194951803667
Energy: 0.8899952073296985
Energy: 0.8882871194161293
Energy: 0.9011325683518276
Energy: 0.8955210820003842
Energy: 0.8873029684115915
Energy: 0.8923023420167095
Energy: 0.8865935268373437
Energy: 0.886160597485835
Energy: 0.8976641576685036
Energy: 0.8952746676011865
Energy: 0.8862000549674757
Energy: 0.8943547448409638
Energy: 0.9195765135751441
Energy: 1.022554464028346
Energy: 0.9351905602903176
Energy: 0.9189419547303997
Energy: 0.9243772983099888
Energy: 0.9017186613880414
Energy: 0.9191320898621763
Energy: 0.8291816955136547
Energy: 1.0250463975054631
Energy: 1.025192977386461
Energy: 0.8313645660032829
Energy: 1.0251409846047304
Energy: 0.8857109452145062
Energy: 0.8304806181004223
Energy: 1.024398829615559
Energy: 1.0257217279570718
Energy: 0.8324651137229926
Energy: 1.0242906610481575
Energy: 0.917437338543691
Energy: 1.132854211708096
Energy: 1.0237329379727962
Energy: 0.974888346465356
Energy: 1.025061603586636
Energy: 0.9044130495141952
Energy: 0.9199459263951348
Energy: 1.2195102265545792
Energy: 0.9116486686786577
Energy: 0.911289903097314
Energy: 1.0258209493916621
Energy: 0.8871242878181845
Energy: 1.0292547253661168
Energy: 1.2086708668879111
Energy: 1.0242339227081982
Energy: 0.9176828421540945
Energy: 1.0266535972408672
Energy: 1.0253171078844363
Energy: 1.0236108150971648
Energy: 0.8429591576613865
Energy: 1.0326877945702566
Energy: 1.1167450956607685
Energy: 0.905315715593356
Energy: 1.0313963213236323
Energy: 0.9297159399133859
Energy: 0.8466493474850626
Energy: 1.0244658372433537
Energy: 1.0256903584419754
Energy: 0.8487192677314308
Energy: 1.029181611776054
Energy: 1.0134430520947904
Energy: 1.215098993830156
Energy: 0.934811106872453
Energy: 0.9205653266727928
Energy: 1.0259878025157885
Energy: 0.841667760026647
Energy: 1.0230359154660351
Energy: 1.0246326689408405
Energy: 0.9047562029396642
Energy: 0.933749580917874
Energy: 1.0239965683838532
Energy: 0.9047545311307421
Energy: 0.9316055005738935
Energy: 0.903810390832885
Energy: 0.9236860462214428
Energy: 0.9208472840412838
Energy: 0.9042136064483707
Energy: 0.8886080041579061
Energy: 0.921869974543882
Energy: 0.814022942257554
Energy: 0.9260607008035185
Energy: 0.9182233199363612
Energy: 0.9009039374552626
Energy: 0.9192206119817513
Energy: 0.899227549295763
Energy: 0.8139479000669929
Energy: 0.8873172739700299
Energy: 0.8872890896098662
Energy: 0.8141411800335453
Energy: 0.8889256481234449
Energy: 0.8868001123129341
Energy: 0.8288460839002093
Energy: 0.8911693274233645
Energy: 0.8931406975939408
Energy: 0.8728207777337572
Energy: 0.8448119857816586
Energy: 0.8929755420810046
Energy: 0.830360753591923
Energy: 0.8797541123776158
Energy: 0.8897112274003911
Energy: 0.8300474166751154
Energy: 0.8800970963393379
Energy: 0.8899216490986107
Energy: 0.8354687113306682
Energy: 0.8848309868448797
Energy: 0.8850202221244416
Energy: 0.8368318802734113
Energy: 0.8855281213280926
Energy: 0.8619874156838679
Energy: 0.8291564175713326
Energy: 0.8853396611567343
Energy: 0.8855740417097874
Energy: 0.8831964950839428
Energy: 0.8880240779897395
Energy: 0.8850548162827676
Energy: 0.8453421237369517
Energy: 0.8300024240884019
Energy: 0.8302151798730435
Energy: 0.8463318974745245
Energy: 0.8304556627882071
Energy: 0.8297542153314844
Energy: 0.8292876219622032
Energy: 0.9011996471391996
Energy: 0.8927317031135161
Energy: 0.8940660907001646
Energy: 0.866604217913361
Energy: 0.8926232903319791
Energy: 0.8867867993646263
Energy: 0.8944549003690498
Energy: 0.8907384769968528
Energy: 0.8868392069486781
Energy: 0.869425252132087
Energy: 0.8930206112541109
Energy: 0.8873974109013139
Energy: 0.8906790837318567
Energy: 0.9176483896765316
Energy: 0.8875938535689617
Energy: 0.8908092983574173
Energy: 0.9182946696942447
Energy: 1.1352139303863928
Energy: 0.9181841327498776
Energy: 0.9184986404596536
Energy: 0.8890234301800497
Energy: 0.8306915036920047
Energy: 0.9191718728457323
Energy: 0.828295802922656
Energy: 1.0245652399317047
Energy: 1.0238939909183569
Energy: 0.8889444123708784
Energy: 1.0263781976357185
Energy: 0.9202955055887204
Energy: 0.8291755612344168
Energy: 1.0228324764121062
Energy: 0.9275961888433695
Energy: 0.9199951595133508
Energy: 1.0209520749271208
Energy: 0.9275220315374987
Energy: 0.8860346417227252
Energy: 1.0241601714067765
Energy: 1.0239777193469302
Energy: 0.9018966413636507
Energy: 1.027188820700591
Energy: 0.9613457497055671
Energy: 1.1385155842934225
Energy: 0.9204319358759295
Energy: 1.0206777669488503
Energy: 1.0320660363508614
Energy: 0.9224080368444261
Energy: 1.0240400895778632
Energy: 1.2153415629566966
Energy: 0.9623951548317519
Energy: 0.9189698770126781
Energy: 1.027105085760252
Energy: 0.88991670964621
Energy: 1.0238463776431752
Energy: 0.8487131411804583
Energy: 1.026371402793872
Energy: 1.0257546571813456
Energy: 0.8501555563906233
Energy: 1.0284906361360393
Energy: 1.0127825636389038

minimum gb energy = 0.8139479000669929 eV
minimum distance =  2.29639253315764 Angstroms
sigma value = 57


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

Energy: 0.7795366829751812
Energy: 1.0127553554845201
Energy: 0.9499610198216759
Energy: 0.8620033288081493
Energy: 1.324710497128969
Energy: 0.9498868106935843
Energy: 0.9902055149073383
Energy: 0.8877944303472841
Energy: 0.8807628204374512
Energy: 1.0042039753999563
Energy: 0.9959815089679034
Energy: 0.9317419909626721
Energy: 1.1569520173922516
Energy: 0.8589475673999741
Energy: 0.859419369109766
Energy: 1.0037476517568464
Energy: 0.8587510668450876
Energy: 0.91022875779266
Energy: 0.9975441411654821
Energy: 0.8591478099867308
Energy: 0.9100769713159484
Energy: 0.9979956215741033
Energy: 0.7834100268210232
Energy: 0.9116436386146131
Energy: 0.859500667690519
Energy: 0.8743204244273033
Energy: 0.8982300680239698
Energy: 0.8593958776905556
Energy: 0.8717565619136007
Energy: 0.880871088526283
Energy: 0.7600149754483411
Energy: 0.8689390102173261
Energy: 0.8588249025535745
Energy: 0.837945735041837
Energy: 0.8692111074937734
Energy: 0.8592382942826666
Energy: 0.7992858208361476
Energy: 0.8776543167248596
Energy: 0.8686573321516717
Energy: 0.8471719140604236
Energy: 0.8742441904986135
Energy: 0.8481157173581853
Energy: 1.0391189429441738
Energy: 0.8272466099628561
Energy: 0.8272746168310392
Energy: 0.8360243573085033
Energy: 0.8271212721365359
Energy: 0.8430091332947164
Energy: 0.804098144587089
Energy: 0.8296690131631631
Energy: 0.8001577908630757
Energy: 0.8059544598164764
Energy: 0.769233382594144
Energy: 0.800580242705606
Energy: 0.8002269176877856
Energy: 0.8314376013499398
Energy: 0.830599841288685
Energy: 0.800455361719579
Energy: 0.8277666599406716
Energy: 0.8322139566991936
Energy: 0.7760635626243555
Energy: 0.7681192782591268
Energy: 0.8380969985037698
Energy: 0.8261943138818681
Energy: 0.769475020297442
Energy: 0.823583522746226
Energy: 0.805832132653457
Energy: 0.7790957997146857
Energy: 0.768354826854315
Energy: 0.7860896100373558
Energy: 0.7753920593738477
Energy: 0.804869656520633
Energy: 0.7840169536728295
Energy: 0.8477034991079895
Energy: 0.8286665641294692
Energy: 0.8259586692804348
Energy: 0.8485012538660375
Energy: 0.8276072857618836
Energy: 0.7692791579410119
Energy: 0.8255421088506713
Energy: 0.7682978221699542
Energy: 0.7717080516029154
Energy: 0.7835772633878612
Energy: 0.7688172897831538
Energy: 0.7686492713542263
Energy: 0.8247788830431679
Energy: 0.8232347436443633
Energy: 0.7684348652162427
Energy: 0.8329708036103769
Energy: 0.8232910799004303
Energy: 0.8236375421525302
Energy: 0.8007136735814833
Energy: 0.8311190577382791
Energy: 0.8288064738937647
Energy: 0.8008741265839658
Energy: 0.8279293329347162
Energy: 0.7707559583648432
Energy: 0.800932278636333
Energy: 0.800587915892822
Energy: 0.7738549341584221
Energy: 0.8096199019936758
Energy: 0.8329937515866451
Energy: 0.772189846513576
Energy: 0.8374904198801639
Energy: 0.8513989111215666
Energy: 0.7728970043395704
Energy: 0.8350473104479802
Energy: 0.8444878388957374
Energy: 0.8695324401314504
Energy: 0.8517031873840019
Energy: 0.8592106518487345
Energy: 0.8716790430900648
Energy: 0.8448085999472786
Energy: 0.8688449608666691
Energy: 0.9814577580011764
Energy: 0.8547441536865548
Energy: 0.8572446863527594
Energy: 0.8944058278108373
Energy: 0.8527214161324361
Energy: 0.8904547169283111
Energy: 1.0787187899131379
Energy: 0.8915535082811654
Energy: 0.8902208814865993
Energy: 0.8703429327351179
Energy: 0.8891721976597217
Energy: 0.8895768603744253
Energy: 0.7689829824772769
Energy: 0.9952152747511418
Energy: 0.8685699847314676
Energy: 0.8454143136567633
Energy: 0.9950718130690811
Energy: 0.890784267198697
Energy: 0.8053063095210999
Energy: 1.0049596497985873
Energy: 0.9935344047666371
Energy: 0.8067796593369551
Energy: 1.000277365598362
Energy: 0.9869505404494336
Energy: 1.0748896551842742
Energy: 0.869591200385272
Energy: 0.8792654048115686
Energy: 0.9287087019613368
Energy: 0.8980858181151995
Energy: 0.8933341815732085
Energy: 1.1634664310425356
Energy: 0.8856934720296685
Energy: 0.8886000155609649
Energy: 1.0081104399049703
Energy: 0.8857334446594042
Energy: 0.9859506255425701
Energy: 1.1487627715862956
Energy: 0.9965549007591833
Energy: 0.9904631400935273
Energy: 1.0015388236267388
Energy: 1.002165485918062
Energy: 0.8917035832260076
Energy: 0.7763844936665791
Energy: 1.0038416774660546
Energy: 0.9130942599273552
Energy: 0.8614280294699169
Energy: 1.007100248110059
Energy: 0.9140711267794265

minimum gb energy = 0.7600149754483411 eV
minimum distance =  2.28926407776873 Angstroms
sigma value = 43


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

Energy: 0.681962200118649
Energy: 1.0218243551931145
Energy: 0.8543929980197584
Energy: 0.7538595417749576
Energy: 0.9153288761130767
Energy: 0.8241484078846819
Energy: 0.9371084645680045
Energy: 0.792637999213087
Energy: 0.7694089147484918
Energy: 0.8896645693338329
Energy: 0.8355220678983714
Energy: 0.7689022247502175
Energy: 1.009870035877267
Energy: 0.7346977534010148
Energy: 0.7604731378607466
Energy: 0.8892794454524962
Energy: 0.734192479545715
Energy: 0.7605558563665153
Energy: 0.8818414162106792
Energy: 0.7593451988775995
Energy: 0.7597736242374902
Energy: 0.7940343634385293
Energy: 0.7447027232489595
Energy: 0.8266426006201513
Energy: 0.7936967327593623
Energy: 0.7916793069596679
Energy: 0.7837744162308713
Energy: 0.7939204763825435
Energy: 0.7940750709022991
Energy: 0.7688169825602179
Energy: 0.6592726498873712
Energy: 0.7906583811337703
Energy: 0.7555762381272433
Energy: 0.7164232149392114
Energy: 0.7906806060691397
Energy: 0.7321278301989435
Energy: 0.919076602016375
Energy: 0.7905003733078697
Energy: 0.7905784424776751
Energy: 0.7424722561159838
Energy: 0.7907327016170119
Energy: 0.739397997748986
Energy: 0.9191058485586504
Energy: 0.7114634091854581
Energy: 0.7259978605441868
Energy: 0.7317491888174671
Energy: 0.7109547957178547
Energy: 0.7257494005574902
Energy: 0.7328382877353722
Energy: 0.7253355384893764
Energy: 0.7298778937673607
Energy: 0.7349747312316047
Energy: 0.6744100871468731
Energy: 0.7298053817072737
Energy: 0.7186391209936505
Energy: 0.7171269377044129
Energy: 0.7175130517284845
Energy: 0.7187034592234948
Energy: 0.7178101872237259
Energy: 0.7173576704056062
Energy: 0.6533545995942261
Energy: 0.6904775539767753
Energy: 0.7155219674645633
Energy: 0.7018556439044882
Energy: 0.6906325275023981
Energy: 0.7078725835510495
Energy: 0.730042300170771
Energy: 0.6907374434009242
Energy: 0.6903203174100804
Energy: 0.7124300058284398
Energy: 0.6908791420892216
Energy: 0.7122877348188779
Energy: 0.8760711519356311
Energy: 0.7360821781413988
Energy: 0.7457064582747999
Energy: 0.7035553338855662
Energy: 0.7346942524252662
Energy: 0.7446143719992461
Energy: 0.6672450207018846
Energy: 0.7091451200201333
Energy: 0.6667487166930373
Energy: 0.6691880212738063
Energy: 0.6564318523370147
Energy: 0.667174419496221
Energy: 0.6673535254128673
Energy: 0.7005776171406312
Energy: 0.6999140712904539
Energy: 0.6672235361629709
Energy: 0.7017035684581464
Energy: 0.6996512419820269
Energy: 0.6597910065676599
Energy: 0.6560665103385048
Energy: 0.6567606887152646
Energy: 0.7004720595139107
Energy: 0.6562446207823168
Energy: 0.6984398687454602
Energy: 0.6711317455903988
Energy: 0.6560272676497672
Energy: 0.6558468316434557
Energy: 0.6917247090310892
Energy: 0.6562366416144688
Energy: 0.7044185461336055
Energy: 0.6563428800019404
Energy: 0.7040982991354778
Energy: 0.704241180566506
Energy: 0.6565595134911466
Energy: 0.7174888319116989
Energy: 0.7035786451772982
Energy: 0.6562503975288035
Energy: 0.6888627293361061
Energy: 0.6557521388942322
Energy: 0.6574247908098765
Energy: 0.7612754942457498
Energy: 0.656336428743251
Energy: 0.6561160193448479
Energy: 0.7109743100318263
Energy: 0.7111697308758614
Energy: 0.6565145563250065
Energy: 0.7317730054062344
Energy: 0.7106477545940086
Energy: 0.6942949215553502
Energy: 0.667254869393629
Energy: 0.6668347267479542
Energy: 0.7234299635200496
Energy: 0.6672505699085991
Energy: 0.711310759362152
Energy: 0.6611315845369589
Energy: 0.667016183298539
Energy: 0.6675191127171208
Energy: 0.7036963380883526
Energy: 0.6673877437817771
Energy: 0.7025777783057032
Energy: 0.6913369286297113
Energy: 0.7056610974930946
Energy: 0.7052270778055126
Energy: 0.69127228715218
Energy: 0.7061542470255736
Energy: 0.7055456403115449
Energy: 0.6907282805724507
Energy: 0.7205833954006075
Energy: 0.6902007984132382
Energy: 0.6929061548422469
Energy: 0.6669536478661184
Energy: 0.6904619806115978
Energy: 0.8940480456455246
Energy: 0.725544643714339
Energy: 0.7151319120056312
Energy: 0.7150655749378331
Energy: 0.7254409065699898
Energy: 0.7147105705866874
Energy: 0.8332747520240087
Energy: 0.7298831689478492
Energy: 0.7297445015281626
Energy: 0.7165510209365802
Energy: 0.7298427283875211
Energy: 0.717026841057543
Energy: 0.6566207836219298
Energy: 0.7299882495405375
Energy: 0.7429077324277329
Energy: 0.7112413558412014
Energy: 0.7297352884558643
Energy: 0.7185964278560079
Energy: 0.6913802947809787
Energy: 0.7428976278148958
Energy: 0.7418405083107827
Energy: 0.691593589979145
Energy: 0.7426173046527632
Energy: 0.7390812236982979
Energy: 0.7935918542089074
Energy: 0.7425185384470914
Energy: 0.7905537358184415
Energy: 0.7954054038744827
Energy: 0.6907332541480193
Energy: 0.7907129112079018
Energy: 0.952295941901232
Energy: 0.7230746097207855
Energy: 0.7436387508182086
Energy: 0.7916016596583754
Energy: 0.7227799068352108
Energy: 0.743053368426787
Energy: 0.949903266331776
Energy: 0.7924066139979299
Energy: 0.7935548495893631
Energy: 0.7920326481992214
Energy: 0.7950238341442254
Energy: 0.7931291602473701
Energy: 0.6691190045931661
Energy: 0.889675707274478
Energy: 0.7873238641171756
Energy: 0.7317120716184397
Energy: 0.8892251411240196
Energy: 0.7461808498263308
Energy: 0.8206228667199292
Energy: 0.8895899019474262
Energy: 0.8335313278881116
Energy: 0.7904417467062954
Energy: 0.8937468140048189
Energy: 0.8490322937260149
Energy: 0.9507750092811662
Energy: 0.7825227853774611
Energy: 0.7782691199946868
Energy: 0.7940761949322556
Energy: 0.6933538958889996
Energy: 0.8891767702214315
Energy: 1.010742579713742
Energy: 0.7555926536028496
Energy: 0.7981830800723805
Energy: 0.8897693607587308
Energy: 0.7547247482521201
Energy: 0.7997657855844587
Energy: 0.936694674125235
Energy: 0.8900616901298998
Energy: 0.8351178574482171
Energy: 0.8896859100069093
Energy: 0.8934661151801954
Energy: 0.7694269466491457

minimum gb energy = 0.6533545995942261 eV
minimum distance =  2.3267072804807 Angstroms
sigma value = 81


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

Energy: 0.08381486919247143
Energy: 0.08658697550832802
Energy: 0.08425514931356226
Energy: 0.08653149007437501
Energy: 0.08626906566423592
Energy: 0.08462845845701368
Energy: 0.1392077176798326
Energy: 0.08589405128570299
Energy: 0.08632711607487312
Energy: 0.13773743612952014
Energy: 0.08583832544608837
Energy: 0.08705331929406163
Energy: 0.13740530560686046
Energy: 0.08461601926728261
Energy: 0.08473471426513839
Energy: 0.1371597399552838
Energy: 0.0844344837492783
Energy: 0.1367434738209055
Energy: 0.08761436434327342
Energy: 0.0846043811413545
Energy: 0.08458926173941164
Energy: 0.08960727790906026
Energy: 0.08447403433309604
Energy: 0.13738345088561174
Energy: 0.1366082722807491
Energy: 0.13760243231795874
Energy: 0.1370994011333305
Energy: 0.13794540948855957
Energy: 0.13714752771454203
Energy: 0.13783899041503897
Energy: 0.08552161031062866
Energy: 0.08684968835051723
Energy: 0.08437020535243614
Energy: 0.08419793539477669
Energy: 0.08668098587611849
Energy: 0.08447812443894522
Energy: 0.13780305767372186
Energy: 0.08622721255164187
Energy: 0.08704773302936006
Energy: 0.13732637626214392
Energy: 0.08658497827448675
Energy: 0.08680912717492469
Energy: 0.13785462431138323
Energy: 0.08445780443085274
Energy: 0.08449131735115264
Energy: 0.13738555956242077
Energy: 0.08445884835844303
Energy: 0.13773098647061352
Energy: 0.08725346481451204
Energy: 0.08444840188958141
Energy: 0.13765254591250645
Energy: 0.08870338890927229
Energy: 0.08450661195044169
Energy: 0.13932211126142494
Energy: 0.08414502205798392
Energy: 0.13722388169783775
Energy: 0.1370374713635666
Energy: 0.08436491580282464
Energy: 0.13736897927855568
Energy: 0.13729880669602765

minimum gb energy = 0.08381486919247143 eV
minimum distance =  2.45546041094263 Angstroms
sigma value = 3


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

Energy: 0.8802616797531638
Energy: 0.86081501285264
Energy: 0.8620050444116101
Energy: 0.7892132409181224
Energy: 0.8570306815879214
Energy: 0.7922240410089904
Energy: 0.8729933420073674
Energy: 0.8510524712749249
Energy: 0.8502595731442931
Energy: 0.8504599385562202
Energy: 0.8589291974897011
Energy: 0.7897134769732594
Energy: 0.8782993445666185
Energy: 0.7880393056950981
Energy: 0.7892738956284286
Energy: 0.8546407291958442
Energy: 0.789877140486161
Energy: 0.8435027680305783
Energy: 0.8072326248345641
Energy: 0.7882790855517896
Energy: 0.7890617028311737
Energy: 0.8069166398418449
Energy: 0.7308058111312752
Energy: 0.8424596097143473
Energy: 0.7376703619015502
Energy: 0.8511272916512347
Energy: 0.788452283614967
Energy: 0.7377998677735264
Energy: 0.8589441315225224
Energy: 0.7894392843044375
Energy: 0.8032620544527844
Energy: 0.7924948438362767
Energy: 0.7990869125371466
Energy: 0.6851729120410921
Energy: 0.7927477217165361
Energy: 0.7297338550784245
Energy: 0.8083076793854895
Energy: 0.7459479621273211
Energy: 0.747499720376671
Energy: 0.808603186582028
Energy: 0.7456283651118978
Energy: 0.6963345603541758
Energy: 0.8078593499329405
Energy: 0.6899418922586086
Energy: 0.740087187475633
Energy: 0.807850822887623
Energy: 0.6538082903958277
Energy: 0.7381772484487467
Energy: 0.8209005343775894
Energy: 0.7592355104477588
Energy: 0.6959252959786866
Energy: 0.6948309544436251
Energy: 0.6892096777386497
Energy: 0.694887252209615
Energy: 0.6949747633874117
Energy: 0.7445795830333998
Energy: 0.7442740292935566
Energy: 0.6943185864511887
Energy: 0.7487313399931319
Energy: 0.7672871265334467
Energy: 0.7816034586320333
Energy: 0.6972968892493121
Energy: 0.7480947174924332
Energy: 0.6557605811464603
Energy: 0.7876597897674151
Energy: 0.6904708887083407
Energy: 0.6930300641557547
Energy: 0.8052701070652054
Energy: 0.7587006156525316
Energy: 0.6929955328930678
Energy: 0.6945155949209936
Energy: 0.6930892030771667
Energy: 0.6936752238439822
Energy: 0.6427348219389197
Energy: 0.6954709749179561
Energy: 0.6938939950057919
Energy: 0.6397102763199944
Energy: 0.6955329812701371
Energy: 0.7692955019862691
Energy: 0.7247347592576462
Energy: 0.7725477590808992
Energy: 0.6973738480868713
Energy: 0.6604440784836486
Energy: 0.7767132193887452
Energy: 0.7662395397101127
Energy: 0.6584340850568392
Energy: 0.658282907421544
Energy: 0.7662048783069041
Energy: 0.6637520278767274
Energy: 0.659324305080408
Energy: 0.7661034506886957
Energy: 0.7190645685365987
Energy: 0.756655861514346
Energy: 0.6425706013166866
Energy: 0.7603143292505642
Energy: 0.7570122159557745
Energy: 0.6414739660276434
Energy: 0.7555378415551023
Energy: 0.7555867467933886
Energy: 0.6413428618512986
Energy: 0.6602661605509598
Energy: 0.6413943916865306
Energy: 0.6416520016552734
Energy: 0.7090606192528847
Energy: 0.7489679848956353
Energy: 0.6417410587554954
Energy: 0.6426838531092006
Energy: 0.7504684333696622
Energy: 0.7552875476998451
Energy: 0.7046707274263743
Energy: 0.7486678126779083
Energy: 0.6427562978812492
Energy: 0.6437260859105984
Energy: 0.7484457251732995
Energy: 0.758819778350111
Energy: 0.6411913695389395
Energy: 0.6411646373982287
Energy: 0.7604814110016586
Energy: 0.64704719146365
Energy: 0.6418674317767129
Energy: 0.7587566631183555
Energy: 0.7555659817276182
Energy: 0.7575325607323316
Energy: 0.7603733431955959
Energy: 0.7747531790865309
Energy: 0.7557680148910799
Energy: 0.6649506444733577
Energy: 0.7562679710407649
Energy: 0.7076553722481361
Energy: 0.6587542796892276
Energy: 0.7548383394732748
Energy: 0.6587388977340165
Energy: 0.6586800436129195
Energy: 0.7798871770917513
Energy: 0.6958315539396634
Energy: 0.6587439689412168
Energy: 0.69744752322411
Energy: 0.6967285002724338
Energy: 0.7711610256600807
Energy: 0.6947685753449775
Energy: 0.6949045334657363
Energy: 0.6453105827460262
Energy: 0.6938770437638198
Energy: 0.670970852653457
Energy: 0.7271100233757567
Energy: 0.6929550115458756
Energy: 0.6929386403094704
Energy: 0.727209170104035
Energy: 0.6936312554688674
Energy: 0.6938534569094915
Energy: 0.791223556650383
Energy: 0.7132449441186381
Energy: 0.7149085142251211
Energy: 0.7926598154601454
Energy: 0.6671929047499937
Energy: 0.7708007397854053
Energy: 0.7484852668514861
Energy: 0.7798621775525011
Energy: 0.7136816481132369
Energy: 0.7479561380533116
Energy: 0.7978743546701548
Energy: 0.7463245775009059
Energy: 0.7118612390427428
Energy: 0.7653087884255267
Energy: 0.7584246376428422
Energy: 0.71188580400669
Energy: 0.7681728186746924
Energy: 0.8295894580242977
Energy: 0.79059990340889
Energy: 0.8089481892746586
Energy: 0.7707483248781561
Energy: 0.6667547158485866
Energy: 0.8085859645559345
Energy: 0.7081038129054628
Energy: 0.7456896166314865
Energy: 0.8096016840639899
Energy: 0.8092665009592263
Energy: 0.7457062482059302
Energy: 0.8078501285445356
Energy: 0.8291409547019543
Energy: 0.8067199240386786
Energy: 0.708400409490105
Energy: 0.7642234000353937
Energy: 0.8065768553549546
Energy: 0.6635768031988557
Energy: 0.7610463850619017
Energy: 0.8827157357355527
Energy: 0.8083153976054771
Energy: 0.835568559237988
Energy: 0.8610024352549539
Energy: 0.7069935242659086
Energy: 0.7429013651862874
Energy: 0.7601446823045527
Energy: 0.8075922718870363
Energy: 0.8068092897587493
Energy: 0.7602586737645746
Energy: 0.8117577473337549
Energy: 0.8128053433716331

minimum gb energy = 0.6397102763199944 eV
minimum distance =  2.27997454471888 Angstroms
sigma value = 67


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

Energy: 1.0139210536094327
Energy: 1.005493288614229
Energy: 0.9872284052597949
Energy: 0.8125158379644164
Energy: 1.003128805039601
Energy: 0.9914103034807078
Energy: 1.0304179834863594
Energy: 1.0017949521675018
Energy: 0.9280282468551271
Energy: 0.996033954925732
Energy: 0.9990694695232418
Energy: 0.8465833027738993
Energy: 1.0302684471389074
Energy: 0.9011109730254218
Energy: 0.9149202005376887
Energy: 0.9918991191760622
Energy: 0.8450895063831058
Energy: 0.9152715812654416
Energy: 0.927401394536359
Energy: 0.9139227803069219
Energy: 0.9143062579062782
Energy: 0.9283240965254244
Energy: 0.9848384535952521
Energy: 0.9121904061061809
Energy: 0.9207165176469342
Energy: 1.0022553374932712
Energy: 0.8433565061365665
Energy: 0.9206690656987284
Energy: 0.9982385156439616
Energy: 0.8431378817919747
Energy: 0.9302699695037135
Energy: 0.8399067800515563
Energy: 0.8420845115896799
Energy: 0.8420762638235865
Energy: 0.8392924633903601
Energy: 0.8409852673184508
Energy: 0.9216797304938364
Energy: 0.8394839231183578
Energy: 0.8399394150450132
Energy: 0.9220447777774948
Energy: 0.8449254819238514
Energy: 0.8479630583546212
Energy: 0.9234204903480897
Energy: 0.8021148038240984
Energy: 0.9220168748957006
Energy: 0.923495553278662
Energy: 0.7954373997315569
Energy: 0.8433413790855331
Energy: 0.9355110600071631
Energy: 0.8395723501248351
Energy: 0.8759720057627339
Energy: 0.7935831085627147
Energy: 0.8391912668235548
Energy: 0.8765863752738109
Energy: 0.872191606235986
Energy: 0.8450515188269451
Energy: 0.8407089167360361
Energy: 0.8719242726508045
Energy: 0.842116897254556
Energy: 0.840304392662673
Energy: 0.7966142909421551
Energy: 0.8418972163618338
Energy: 0.8409583337086514
Energy: 0.7957160692877414
Energy: 0.9135741812636293
Energy: 0.92161546356214
Energy: 0.7951246799318928
Energy: 0.8754896284626715
Energy: 0.9221134382750255
Energy: 0.7951153931817714
Energy: 0.8722671470442392
Energy: 0.793047705611772
Energy: 0.7942565530314699
Energy: 0.8049667793238617
Energy: 0.912456258901706
Energy: 0.7944132221154782
Energy: 0.7980841169395017
Energy: 0.7927131352922384
Energy: 0.9099775485425892
Energy: 0.7967458793591853
Energy: 0.9118317565410319
Energy: 0.795009535453702
Energy: 0.858393318427631
Energy: 0.9122319275151494
Energy: 0.9121699510384108
Energy: 0.7991342428788858
Energy: 0.794491124697579
Energy: 0.9113850319337183
Energy: 0.7964234431529837
Energy: 0.7939727612380543
Energy: 0.9112637474258138
Energy: 0.8770943161490796
Energy: 0.9254201862243083
Energy: 0.8656236660324416
Energy: 0.8669711598433132
Energy: 0.9225094501957294
Energy: 0.8459001753071128
Energy: 0.7914059993387178
Energy: 0.9099274216309071
Energy: 0.8468875889374985
Energy: 0.7845760937636254
Energy: 0.8397049935031162
Energy: 0.8400933804891597
Energy: 0.876421109973708
Energy: 0.8776732941873078
Energy: 0.8402622258468023
Energy: 0.8460691602505203
Energy: 0.8390043504999883
Energy: 0.910255115766083
Energy: 0.7951833269338172
Energy: 0.8736187149799924
Energy: 0.8090651997860339
Energy: 0.7952195119212474
Energy: 0.8771633343919161
Energy: 0.8409669252348236
Energy: 0.9273180191222341
Energy: 0.8449909891854595
Energy: 0.8422609220692009
Energy: 0.9266736249313935
Energy: 0.847493350317276
Energy: 0.9196888285927588
Energy: 0.8720471571312474
Energy: 0.8113082910145014
Energy: 0.9210720066019187
Energy: 0.9573800305370334
Energy: 0.8101247581972535
Energy: 1.0295780498756775
Energy: 0.8025109879559119
Energy: 0.8108310594615044
Energy: 0.9917449420774669
Energy: 0.8051587824244432
Energy: 0.8100494539729632
Energy: 0.9645276449497875
Energy: 0.9246371966872116
Energy: 0.922138761378544
Energy: 0.9647592541651896
Energy: 0.9266323684055241
Energy: 0.8528011283202174

minimum gb energy = 0.7845760937636254 eV
minimum distance =  2.27243864806211 Angstroms
sigma value = 33


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

Energy: 1.1793022459214342
Energy: 1.0125042481709912
Energy: 1.0502732261845666
Energy: 0.928028056926654
Energy: 1.0124082036606916
Energy: 1.0515697413391238
Energy: 1.1287420508808623
Energy: 0.9804786359828471
Energy: 0.9811865216326126
Energy: 0.9810215272556214
Energy: 0.9806438525730072
Energy: 0.9094134265937702
Energy: 1.1484835231154122
Energy: 0.9030733923325748
Energy: 0.9590184596063719
Energy: 0.9905067261061172
Energy: 0.9772705880729323
Energy: 0.9034826039243196
Energy: 0.980855592933702
Energy: 0.959081230377297
Energy: 0.8950459947903899
Energy: 0.9818797434725896
Energy: 1.0586541663956723
Energy: 0.8924083346117335
Energy: 0.9801035349540524
Energy: 0.9816716939551514
Energy: 0.9069457106616394
Energy: 0.9806110131925136
Energy: 1.0893439973214678
Energy: 0.9088904362444663
Energy: 0.8917186333047633
Energy: 0.8968273661415892
Energy: 0.897273621234196
Energy: 0.8913160039928636
Energy: 0.8967429004618982
Energy: 0.9137634699413372
Energy: 0.9821819319204634
Energy: 0.8978674717359593
Energy: 0.8953773468613727
Energy: 0.980594829244535
Energy: 0.8974601903988135
Energy: 0.9059084244482553
Energy: 0.9828429557768614
Energy: 0.8935081957952493
Energy: 0.8947475708494376
Energy: 0.9825530851400796
Energy: 0.9006913278678484
Energy: 0.9089366699369893
Energy: 0.9519637677559977
Energy: 0.9807356168052873
Energy: 0.9178209200060202
Energy: 0.9064286410729333
Energy: 0.8946856472855924
Energy: 1.031102124281182
Energy: 0.9556123960961893
Energy: 0.8955305630340625
Energy: 0.8957579995515763
Energy: 0.954316196369865
Energy: 0.8963241350656137
Energy: 0.8948547838740134
Energy: 0.9514512400222253
Energy: 0.8962468206844202
Energy: 0.8947066762510008
Energy: 0.8986088603508156
Energy: 0.9552032273441591
Energy: 0.8962886908353302
Energy: 0.8944004659981201
Energy: 0.8962996677725873
Energy: 0.8958568394235005
Energy: 0.8944389767134246
Energy: 0.915460131812176
Energy: 0.8944650764742957
Energy: 0.8937412681303938
Energy: 0.9061131172876841
Energy: 0.9053456463428138
Energy: 0.8937587862127283
Energy: 0.9084275226073146
Energy: 0.8944468458193989
Energy: 0.8699329243115154
Energy: 0.9062405799020953
Energy: 0.90695967313606
Energy: 0.8738888301559896
Energy: 0.9557261600557306
Energy: 0.869942278965014
Energy: 0.8698045501204349
Energy: 0.9820931694157998
Energy: 0.9058079215667884
Energy: 0.8715589330210018
Energy: 0.9824110307251064
Energy: 0.9054886431896759
Energy: 0.9071915063157712
Energy: 1.0017895043746539
Energy: 0.8690796287642643
Energy: 0.9072354205372247
Energy: 0.9159251369992308
Energy: 0.9056504634230437
Energy: 1.1453379607168115
Energy: 0.915692531504891
Energy: 0.9163978848421395
Energy: 0.9896258768347155
Energy: 0.9225528842783248
Energy: 0.8690358655293638
Energy: 1.1309890830279172
Energy: 0.9801590410179118
Energy: 0.9796273040304008
Energy: 0.9806311561243258
Energy: 0.9800039104508866
Energy: 1.0678557220968852
Energy: 0.9178253433755184
Energy: 0.9891201019176845
Energy: 0.9175273654830158
Energy: 0.914196927325802
Energy: 0.9886603483288536
Energy: 0.8676262755077168
Energy: 1.0356528325224503
Energy: 0.9814562586310608
Energy: 0.9812194010714855
Energy: 1.035985758305786
Energy: 0.9822797970996656
Energy: 0.9081529283661068
Energy: 1.1284162626274212
Energy: 1.0437673253505837
Energy: 0.9437929828710926
Energy: 0.9906949536027504
Energy: 0.996381921401546
Energy: 0.9047546487389311
Energy: 0.9877688156120494
Energy: 0.9027498041575381
Energy: 0.9601247809675006
Energy: 0.9805181403635803
Energy: 0.976658904263096
Energy: 0.8949198782372494
Energy: 0.9803594806046437
Energy: 0.980785656595318
Energy: 0.9088216167699212
Energy: 0.9801018103500571
Energy: 0.980373889287122
Energy: 0.9055480360914014
Energy: 0.8941738686381472
Energy: 0.8941737081253159
Energy: 0.8957575280488568
Energy: 0.8921756643201791
Energy: 0.8969688684437971
Energy: 0.9762920051483975
Energy: 0.9808272129361127
Energy: 0.8972322503207465
Energy: 0.8951691648162302
Energy: 0.9804129937825519
Energy: 0.8979182659139028
Energy: 0.9064257915187343
Energy: 0.9856638713741339
Energy: 0.8935770150734071
Energy: 0.8955771191698458
Energy: 0.9830563148099826
Energy: 0.8999958899523248
Energy: 0.9092089374860245
Energy: 0.9570670472631564
Energy: 0.8953372780925862
Energy: 0.9170739082299327
Energy: 0.9533843690360342
Energy: 0.9219638825027595
Energy: 0.908523057403805
Energy: 0.9563440201315564
Energy: 0.8950553859440159
Energy: 0.8947536306100732
Energy: 0.953954212176984
Energy: 0.8974796030883456
Energy: 0.8946929933816874
Energy: 0.952083512016673
Energy: 0.9555353241979828
Energy: 0.8948843305381593
Energy: 0.9004950250319955
Energy: 0.8947770181367232
Energy: 0.897056377761871
Energy: 0.8944415859398926
Energy: 0.8950968194822976
Energy: 0.8964825214015808
Energy: 0.8944341051522511
Energy: 0.9185252794980288
Energy: 0.8942124704464585
Energy: 0.8946601169098383
Energy: 0.908189629690661
Energy: 0.8949400892620666
Energy: 0.8947467637780153
Energy: 0.90891385365395
Energy: 0.8946672535885222
Energy: 0.8713619129067288
Energy: 0.9077172304181967
Energy: 0.90709654154315
Energy: 0.873325720970561
Energy: 0.9529679368204645
Energy: 0.869064661548711
Energy: 0.8702179734802211
Energy: 0.9820266473463222
Energy: 0.9080442894224277
Energy: 0.8709959781890418
Energy: 0.9832358455292577
Energy: 0.9054546629083045
Energy: 0.9081587492622049
Energy: 0.9367406353129527
Energy: 0.9050796965316598
Energy: 0.9079317158212316
Energy: 0.9156534834532116
Energy: 0.9062325649778566
Energy: 1.146134319543468
Energy: 0.9156371411784681
Energy: 0.9166035298512752
Energy: 1.1459416386374663
Energy: 0.8676138202394468
Energy: 0.9651238573615467
Energy: 1.128119063270439
Energy: 0.9791143431069801
Energy: 0.9795413517425008
Energy: 1.0887142601380688
Energy: 0.979234975761573
Energy: 0.9059543703064586
Energy: 0.9168258053718458
Energy: 0.989451231274635
Energy: 0.9208123117226117
Energy: 0.920865840845638
Energy: 0.988524850981347
Energy: 0.8684269942955104

minimum gb energy = 0.8676138202394468 eV
minimum distance =  2.29733600738313 Angstroms
sigma value = 41


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

Energy: 1.3970284475403612
Energy: 1.0688966078187918
Energy: 1.1863471150505327
Energy: 1.013804865173932
Energy: 1.067331136868679
Energy: 1.0137247665704916
Energy: 1.216944253752628
Energy: 1.0706006049054657
Energy: 1.0682267608409217
Energy: 1.0687889386983813
Energy: 1.0707393392785645
Energy: 1.0393420254153964
Energy: 1.2146783080524808
Energy: 1.0417983434348235
Energy: 1.013654191754674
Energy: 1.0678476529139453
Energy: 1.0463023957477688
Energy: 1.043807644582361
Energy: 1.0674697240820088
Energy: 1.0662977414198151
Energy: 1.0145035550338783
Energy: 1.0676359644643156
Energy: 1.0647380082731959
Energy: 1.0468210196121417
Energy: 1.04427304135564
Energy: 1.0679568005780924
Energy: 1.0681370202742313
Energy: 1.0445184718459233
Energy: 1.0682293428342275
Energy: 1.0174824237664368
Energy: 1.078073247685065
Energy: 1.082033095544291
Energy: 1.0183508144173559
Energy: 1.0672496234571895
Energy: 1.1200791198675042
Energy: 1.0155435424619228
Energy: 1.0429823996572551
Energy: 1.0172628991240966
Energy: 1.0377223533564277
Energy: 1.0431161944465384
Energy: 1.0163336068434374
Energy: 1.0181334351520812
Energy: 1.0486337973270399
Energy: 1.0181893916195297
Energy: 1.0177631689629858
Energy: 1.0500043594986328
Energy: 1.0701181680895424
Energy: 1.0442352240563568
Energy: 1.1254087382907756
Energy: 1.0191926694433668
Energy: 1.0171682103239257
Energy: 1.128327884780803
Energy: 1.0841793409532847
Energy: 1.015364985935103
Energy: 1.0821088226121387
Energy: 1.051443350834611
Energy: 1.0442780415352517
Energy: 1.0641428968821636
Energy: 1.0455228032642656
Energy: 1.0170970587662784
Energy: 1.1662762909849507
Energy: 1.0463416734218471
Energy: 1.0186937433763799
Energy: 1.1702477914125327
Energy: 0.990250901197934
Energy: 1.1236754512436196
Energy: 1.2109398383467518
Energy: 0.990559920237306
Energy: 0.9913920915626074
Energy: 1.211715809019889
Energy: 0.9903285114324226
Energy: 1.066008273548615
Energy: 1.2451522316769983
Energy: 1.0445764366111523
Energy: 1.0693071273083175
Energy: 1.0694889065184576
Energy: 1.0443442242712615
Energy: 1.0161119730753483
Energy: 0.9911019091615904
Energy: 1.0677290842308955
Energy: 0.990987048815833
Energy: 0.9973011298494463
Energy: 1.0675132665914993
Energy: 0.9911081675567098

minimum gb energy = 0.990250901197934 eV
minimum distance =  2.30063733271614 Angstroms
sigma value = 11


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

Energy: 1.1188443649358253
Energy: 1.2238151536054371
Energy: 1.1939065869833267
Energy: 1.2166008630067215
Energy: 1.222292525143259
Energy: 1.1749012982167786
Energy: 1.3618786605268096
Energy: 1.1308581733778758
Energy: 1.131182299905511
Energy: 1.2019172436097247
Energy: 1.1311718070594556
Energy: 1.1320201118289783
Energy: 1.3223586379004504
Energy: 1.1117125910807857
Energy: 1.1626616468591908
Energy: 1.143346092177619
Energy: 1.1128188160872206
Energy: 1.1711944971158461
Energy: 1.1801222689630628
Energy: 1.1106558376422773
Energy: 1.1638724170484658
Energy: 1.1577366778573737
Energy: 1.151673100820945
Energy: 1.1656658710574874
Energy: 1.19800504065931
Energy: 1.131726929140145
Energy: 1.1314795262773223
Energy: 1.1984326737725022
Energy: 1.1323323326102246
Energy: 1.1313239819137357
Energy: 1.1783939621274857
Energy: 1.1625062877318062
Energy: 1.1557251898624228
Energy: 1.1314120572325495
Energy: 1.1612850824632928
Energy: 1.149831599655684
Energy: 1.1610849256289768
Energy: 1.1644401853208064
Energy: 1.1499890170000044
Energy: 1.1613305919346248
Energy: 1.176530250309079
Energy: 1.1617038414620262
Energy: 1.160309397693395
Energy: 1.1548851638999846
Energy: 1.1313692846152126
Energy: 1.1316316704003773
Energy: 1.1982696533857105
Energy: 1.1312938537683206
Energy: 1.161309005454955
Energy: 1.2026717247492746
Energy: 1.1653275947871342
Energy: 1.137527502987199
Energy: 1.142050647634886
Energy: 1.1168119139468664
Energy: 1.1600938147787851
Energy: 1.2030679766831407
Energy: 1.1654231883135469
Energy: 1.1389894571820498
Energy: 1.1419822527542502
Energy: 1.1170182415565133
Energy: 1.1607333692151454
Energy: 1.1666211393298989
Energy: 1.1313014977891847
Energy: 1.1325066514088027
Energy: 1.154173731603189
Energy: 1.1310870400721458
Energy: 1.1379278183562016
Energy: 1.111745757835189
Energy: 1.1614013323837544
Energy: 1.1356393519098098
Energy: 1.1612287764731106
Energy: 1.1945722535904397
Energy: 1.1302981595564972
Energy: 1.199077144278962
Energy: 1.162479827807294
Energy: 1.1303756033476227
Energy: 1.2021930005002943
Energy: 1.131794081845435
Energy: 1.1541386201271813
Energy: 1.1704407189603627
Energy: 1.1688909640262122
Energy: 1.1124786762450232
Energy: 1.2219746818877188
Energy: 1.1875963472562547
Energy: 1.1122947100149516
Energy: 1.1419878568649295
Energy: 1.1139741290047425
Energy: 1.11255935194478
Energy: 1.1420941929183146
Energy: 1.113190596545515
Energy: 1.1129582681779746
Energy: 1.195238231887141
Energy: 1.114018681160563
Energy: 1.1148464683472024
Energy: 1.1419985773907566
Energy: 1.1121323097651519
Energy: 1.112627385376166
Energy: 1.1484947400967598
Energy: 1.1137920547802889
Energy: 1.1126122079722462
Energy: 1.1580652661546589
Energy: 1.1412901618653448
Energy: 1.169289846827481
Energy: 1.1824200820075574
Energy: 1.1367048710061325
Energy: 1.137999331390933
Energy: 1.1607025011731114
Energy: 1.1590346169038708
Energy: 1.1556661285898366
Energy: 1.1427752212639386
Energy: 1.142647206970252
Energy: 1.1559273920192572
Energy: 1.1584005222105624
Energy: 1.162552298585652
Energy: 1.156631631908293
Energy: 1.1150733964461215
Energy: 1.1151285465341905
Energy: 1.171783056018601
Energy: 1.1150267247750614
Energy: 1.1784613948089278
Energy: 1.2608133898553366
Energy: 1.1148812748285106
Energy: 1.177381574743279
Energy: 1.1419852839478215
Energy: 1.1760807922572138
Energy: 1.1629001101606917
Energy: 1.1540041447914757
Energy: 1.1414477378190047
Energy: 1.162472966549309
Energy: 1.1282601039136952
Energy: 1.1422333955418922
Energy: 1.1619372258149725
Energy: 1.1268257977541274
Energy: 1.1625850832939548
Energy: 1.168560424098115
Energy: 1.1111727131328277
Energy: 1.1752221394846594
Energy: 1.1642260164086915
Energy: 1.2455677406407673
Energy: 1.1563799159016037
Energy: 1.1457320540760418
Energy: 1.1587508181350545
Energy: 1.1562657685987165
Energy: 1.143459920976244
Energy: 1.183022210228672
Energy: 1.1812505360757628
Energy: 1.1681542961125464
Energy: 1.1612731881676486
Energy: 1.1787724507569353
Energy: 1.1678474470135114
Energy: 1.2257925613370877
Energy: 1.1431550246113387
Energy: 1.1407331947018287
Energy: 1.1580926797197015
Energy: 1.1126753680810535
Energy: 1.1139697519103084
Energy: 1.2348105699036187
Energy: 1.112628479305984
Energy: 1.1119608635210936
Energy: 1.1421202404960662
Energy: 1.1158740278750259
Energy: 1.1130108626383393
Energy: 1.234169460011688
Energy: 1.1519695251657815
Energy: 1.113738127694919
Energy: 1.1620412046903965
Energy: 1.1124988586222069
Energy: 1.1141795797673772
Energy: 1.2503231156073855
Energy: 1.1772238224984495
Energy: 1.1765159802405223
Energy: 1.1963488109835048
Energy: 1.1180261253287664
Energy: 1.1764354942973565
Energy: 1.3598143760672707
Energy: 1.130991131405231
Energy: 1.131892556628029
Energy: 1.201180513342875
Energy: 1.1307469144165587
Energy: 1.1593816947333835
Energy: 1.118109309939935
Energy: 1.1342855886106866
Energy: 1.1861542196444639
Energy: 1.115882068671764
Energy: 1.1347113520360799
Energy: 1.1795394612604921

minimum gb energy = 1.1106558376422773 eV
minimum distance =  2.28417053680332 Angstroms
sigma value = 57


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

Energy: 1.6358465950937913
Energy: 1.1050560800115723
Energy: 1.1322178221518129
Energy: 1.1309129667026383
Energy: 1.1073482568087167
Energy: 1.1342506050097576
Energy: 1.2366176444960209
Energy: 1.094201642814313
Energy: 1.0872424222688786
Energy: 1.0947949550785894
Energy: 1.10843557411507
Energy: 1.0864334732189018
Energy: 1.1108221734738868
Energy: 1.089665468232503
Energy: 1.088880249646277
Energy: 1.1112826972008423
Energy: 1.08925032147446
Energy: 1.0878299369741664
Energy: 1.0959721870427457
Energy: 1.1122851543745107
Energy: 1.0848269700075301
Energy: 1.0979409871147947
Energy: 1.0907249679443471
Energy: 1.08485989157775
Energy: 1.0965855087588519
Energy: 1.1067492673574073
Energy: 1.084930624235318
Energy: 1.0957539325553067
Energy: 1.1011535120693658
Energy: 1.083975275867919
Energy: 1.0981724471542655
Energy: 1.0951730232294197
Energy: 1.0942430274526642
Energy: 1.1099547918465273
Energy: 1.1114801658227265
Energy: 1.0855023020308252
Energy: 1.1083477866349463
Energy: 1.133673454719922
Energy: 1.1490507984501885
Energy: 1.1091581738827323
Energy: 1.1297265709677013
Energy: 1.0942567213100856
Energy: 1.2375923377962592
Energy: 1.1021152685436566
Energy: 1.0861625967710082
Energy: 1.1047794311034314
Energy: 1.096609027697091
Energy: 1.08505628743424
Energy: 1.0540936916132937
Energy: 1.100861979842103
Energy: 1.144078609809717
Energy: 1.0529983528090106
Energy: 1.0975395771326837
Energy: 1.0539381506938976
Energy: 1.0535812280103227
Energy: 1.1050597886389906
Energy: 1.1466128474813562
Energy: 1.0533159802642613
Energy: 1.0974089033777592
Energy: 1.0532302277089962
Energy: 1.2373914504020223
Energy: 1.104876910374575
Energy: 1.0892745630858918
Energy: 1.1050573016365524
Energy: 1.0956427948927645
Energy: 1.0854948374578708
Energy: 1.0944792846799498
Energy: 1.1460165332577805
Energy: 1.144822798823803
Energy: 1.0948198130729503
Energy: 1.0900234024066182
Energy: 1.1066516114524205
Energy: 1.1107338777565634
Energy: 1.1147894012941404
Energy: 1.087644067909754
Energy: 1.1126945369167671
Energy: 1.1133963427834572
Energy: 1.0847668153038355
Energy: 1.0965218388340292
Energy: 1.1066109086356117
Energy: 1.105706889956197
Energy: 1.1078014477912723
Energy: 1.1092659805365601
Energy: 1.1149765002926761
Energy: 1.106822939996877
Energy: 1.1383214886504662
Energy: 1.0879779605423796
Energy: 1.0956757833293238
Energy: 1.132683233608152
Energy: 1.0841798768302628
Energy: 1.1069554936609864
Energy: 1.143635553314354
Energy: 1.053930229347343
Energy: 1.107486301096128
Energy: 1.1336675791439643
Energy: 1.0847535941766253
Energy: 1.0522755244698099
Energy: 1.094012265338941
Energy: 1.0879446657790335
Energy: 1.052727295745606
Energy: 1.1082430873061095
Energy: 1.0872115433410583

minimum gb energy = 1.0522755244698099 eV
minimum distance =  2.30055376686658 Angstroms
sigma value = 9


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

Energy: 1.9721724739758617
Energy: 1.2388030028494117
Energy: 1.215577820485234
Energy: 1.2082700297527846
Energy: 1.2405406425361833
Energy: 1.2129182776477352
Energy: 1.3217329800889723
Energy: 1.2295118274871581
Energy: 1.212175785809108
Energy: 1.2100744361081697
Energy: 1.2212630945571297
Energy: 1.204527237691241
Energy: 1.2152804749796096
Energy: 1.1993477015548293
Energy: 1.2046920285154883
Energy: 1.2167277523399869
Energy: 1.2391616765367757
Energy: 1.203235574445424
Energy: 1.1902172347907318
Energy: 1.2011190067459674
Energy: 1.2155401510350334
Energy: 1.1897909624228031
Energy: 1.2006146942655171
Energy: 1.2228015179131355
Energy: 1.245407116801613
Energy: 1.1809655939252428
Energy: 1.1691549415785916
Energy: 1.2541531980090364
Energy: 1.2181608422571943
Energy: 1.1697701107079523
Energy: 1.1973806588280207
Energy: 1.202674843182139
Energy: 1.199460283014137
Energy: 1.1992743025174966
Energy: 1.2043540161895034
Energy: 1.1994323734386794
Energy: 1.190778589792362
Energy: 1.2024141559786499
Energy: 1.1928030090557953
Energy: 1.1919973877686336
Energy: 1.2120596600196145
Energy: 1.1990994111128976
Energy: 1.2375454148002079
Energy: 1.196408908365655
Energy: 1.2040570629053697
Energy: 1.1922949552854403
Energy: 1.1986666937538377
Energy: 1.2046572627089434
Energy: 1.257436159574583
Energy: 1.1960995853862142
Energy: 1.1691704155603204
Energy: 1.2028956666790276
Energy: 1.1996146662385003
Energy: 1.2007131042664774
Energy: 1.2613455617663083
Energy: 1.1962446085362322
Energy: 1.1703797887462826
Energy: 1.2038901401712905
Energy: 1.1911832382060634
Energy: 1.1692638113877327
Energy: 1.237652683085213
Energy: 1.2012646581496267
Energy: 1.2099018296327055
Energy: 1.1924687617259204
Energy: 1.2000107199865688
Energy: 1.1918553509205898
Energy: 1.2444566794809477
Energy: 1.2011716307830067
Energy: 1.201625193746165
Energy: 1.2188315186129437
Energy: 1.2020567612677022
Energy: 1.2026410868220314
Energy: 1.2656501366366073
Energy: 1.1997463884786184
Energy: 1.2027953656201587
Energy: 1.211360677516182
Energy: 1.1930104678850215
Energy: 1.1968777698001403
Energy: 1.228075435931351
Energy: 1.2010762076277577
Energy: 1.2006846874826758
Energy: 1.2095404398754428
Energy: 1.203493430049345
Energy: 1.222311586234468
Energy: 1.2375086217616902
Energy: 1.19959918784094
Energy: 1.219523779370048
Energy: 1.2171378984249743
Energy: 1.198438907990421
Energy: 1.1757203497307054
Energy: 1.218222896302816
Energy: 1.224334232679544
Energy: 1.1664566141002872
Energy: 1.2123110963498356
Energy: 1.2274423703666029
Energy: 1.1673124850007957
Energy: 1.2082919762748965
Energy: 1.2212652051776847
Energy: 1.2173876386967526
Energy: 1.2093279341051437
Energy: 1.2002157154367987
Energy: 1.2016878611762867
Energy: 1.383249867528507
Energy: 1.2044766673435516
Energy: 1.211857564248523
Energy: 1.2467400128470822
Energy: 1.218647803623071
Energy: 1.2087253216755842
Energy: 1.2163626660682458
Energy: 1.1995996972558396
Energy: 1.2020136688658163
Energy: 1.2167730586685819
Energy: 1.2058441418550268
Energy: 1.2042499449074096
Energy: 1.2192679725777298
Energy: 1.225627835505959
Energy: 1.2021467051014025
Energy: 1.1979601993835867
Energy: 1.2068354809618946
Energy: 1.2039678833541787
Energy: 1.2246100163496119
Energy: 1.2237092128540676
Energy: 1.2112086789550087
Energy: 1.185976240636796
Energy: 1.2189903268040785
Energy: 1.2130174232803956

minimum gb energy = 1.1664566141002872 eV
minimum distance =  2.25865275454004 Angstroms
sigma value = 27


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

Energy: 1.738297311616135
Energy: 1.3887671779375863
Energy: 1.2025416957575776
Energy: 1.2196832867908884
Energy: 1.6215350943767786
Energy: 1.2626552419613097
Energy: 1.4433463315512132
Energy: 1.2847289746396964
Energy: 1.1976116811196118
Energy: 1.1693927104463544
Energy: 1.2672654815092865
Energy: 1.1862971060038068
Energy: 1.3343279345662526
Energy: 1.219467696438994
Energy: 1.25378215964349
Energy: 1.194424009252499
Energy: 1.2386295195688275
Energy: 1.2047448305600361
Energy: 1.3670919387871303
Energy: 1.2296565974491924
Energy: 1.2007215890938907
Energy: 1.2751719989172312
Energy: 1.1876322309165475
Energy: 1.2881499662147704
Energy: 1.2487825870419285
Energy: 1.2365697385164685
Energy: 1.2502141291064965
Energy: 1.248180309216469
Energy: 1.2464294005386594
Energy: 1.231039421456947
Energy: 1.374812553835704
Energy: 1.287798254836175
Energy: 1.2924938912954083
Energy: 1.2873556853808519
Energy: 1.2941068015576338
Energy: 1.2769304898293579
Energy: 1.3391763282644873
Energy: 1.2279775591926185
Energy: 1.2564967983766833
Energy: 1.1804774632534836
Energy: 1.2299639346251348
Energy: 1.2382920568033666
Energy: 1.3269966597628715
Energy: 1.236199296536928
Energy: 1.292201378598147
Energy: 1.2995380089851063
Energy: 1.2843013620883805
Energy: 1.3198651759402482
Energy: 1.3197786345531803
Energy: 1.2781317079066945
Energy: 1.2941723411119899
Energy: 1.2830970474082148
Energy: 1.2879887572617557
Energy: 1.2905492088395814
Energy: 1.3198270010892001
Energy: 1.2414469557091352
Energy: 1.2417272595887656
Energy: 1.284596326628859
Energy: 1.242201500875148
Energy: 1.2521753984753539
Energy: 1.3209978333742225
Energy: 1.2946588741417286
Energy: 1.2921113685360348
Energy: 1.2791839672050722
Energy: 1.2569179274722837
Energy: 1.2891206655349234
Energy: 1.274774492222802
Energy: 1.2474164733631479
Energy: 1.2477256315238379
Energy: 1.244769306264239
Energy: 1.247681562489953
Energy: 1.2467549141338252
Energy: 1.3711098489908284
Energy: 1.290733380230666
Energy: 1.279319984868854
Energy: 1.2416729161288311
Energy: 1.286183574300596
Energy: 1.2799574786934642
Energy: 1.3689359584054075
Energy: 1.2447012566907236
Energy: 1.2436892515501634
Energy: 1.2663094683272924
Energy: 1.2758640403237294
Energy: 1.2760224826621438
Energy: 1.2713380367054292
Energy: 1.2430936706662115
Energy: 1.24228485393567
Energy: 1.2454019585468805
Energy: 1.244405370564906
Energy: 1.244948913095535
Energy: 1.2794212629489878
Energy: 1.2410871839897537
Energy: 1.2537081120206626
Energy: 1.272637306132333
Energy: 1.2446317945409815
Energy: 1.2795891058261937
Energy: 1.2591898287235033
Energy: 1.2361249747137408
Energy: 1.2368685148997696
Energy: 1.2609811156588597
Energy: 1.2373851817526538
Energy: 1.2738602651184656
Energy: 1.2963897890978269
Energy: 1.2918240942747112
Energy: 1.2916294737317797
Energy: 1.303945672877477
Energy: 1.2874324099451793
Energy: 1.2893170680919923
Energy: 1.3021713886206703
Energy: 1.2318793302022524
Energy: 1.2678991671658464
Energy: 1.3000900515419387
Energy: 1.2285392283232197
Energy: 1.2472888929240626
Energy: 1.3558471918534032
Energy: 1.2316858497342813
Energy: 1.2667982934487072
Energy: 1.1920623702750424
Energy: 1.2496399864041015
Energy: 1.263749941813835
Energy: 1.323962953403644
Energy: 1.2901858526754746
Energy: 1.2921457010275386
Energy: 1.285016838698197
Energy: 1.2756342958324005
Energy: 1.2898798586825881
Energy: 1.237083122377714
Energy: 1.1968814970355897
Energy: 1.2274496740578642
Energy: 1.2381321723168266
Energy: 1.3209083188966566
Energy: 1.2348710726023897
Energy: 1.3154600396518896
Energy: 1.2246340437826901
Energy: 1.2203250278912812
Energy: 1.1870754754302275
Energy: 1.2174860869033304
Energy: 1.3162260125258822
Energy: 1.3314609648292093
Energy: 1.1864006939563132
Energy: 1.2299215787506792
Energy: 1.1944304240833803
Energy: 1.1881015851416865
Energy: 1.3490975394062488
Energy: 1.2848118334743406
Energy: 1.2757454098019274
Energy: 1.2199663530652411
Energy: 1.250321683310595
Energy: 1.2771570519836006
Energy: 1.2486629686661228

minimum gb energy = 1.1693927104463544 eV
minimum distance =  2.24505620196626 Angstroms
sigma value = 19


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

Energy: 1.273678124903712
Energy: 1.2018798173754017
Energy: 1.1856345944475428
Energy: 1.216807914860323
Energy: 1.1922497420036693
Energy: 1.187051110254277
Energy: 1.281966841772974
Energy: 1.202622307706298
Energy: 1.208484630143839
Energy: 1.2430284870627564
Energy: 1.2040426991669584
Energy: 1.2064386576214954
Energy: 1.2365858219629926
Energy: 1.2062808202910584
Energy: 1.2055635624954515
Energy: 1.2151915944539902
Energy: 1.2038694614107428
Energy: 1.2062777148375827
Energy: 1.2255425934419575
Energy: 1.206624972896141
Energy: 1.206129402102266
Energy: 1.203847960525473
Energy: 1.1846520584276075
Energy: 1.2066016273175646
Energy: 1.2227481054574716
Energy: 1.2081812852766716
Energy: 1.207583152891823
Energy: 1.2250500608637762
Energy: 1.2152710535565738
Energy: 1.2049810950447
Energy: 1.2317973656524088
Energy: 1.2094871750361056
Energy: 1.2055973724508404
Energy: 1.2035090392135277
Energy: 1.2089150813447713
Energy: 1.2063585184833459
Energy: 1.2486868859395883
Energy: 1.2058143981118437
Energy: 1.2052808174903178
Energy: 1.2045087580344525
Energy: 1.2094088644070469
Energy: 1.2054854062519036
Energy: 1.22153240430484
Energy: 1.2087017851667785
Energy: 1.2062330666743584
Energy: 1.2227735625333267
Energy: 1.2074953866934315
Energy: 1.2056604477541848
Energy: 1.2019001727555978
Energy: 1.2083384640313626
Energy: 1.2101767144048123
Energy: 1.205356363884683
Energy: 1.214296292432165
Energy: 1.208821546896475
Energy: 1.203034210445769
Energy: 1.2098758273500991
Energy: 1.21089573377906
Energy: 1.2057686571744346
Energy: 1.2094835338153622
Energy: 1.2119367430331196
Energy: 1.2326156139521622
Energy: 1.1864537470526613
Energy: 1.1876415336799182
Energy: 1.2319456192384854
Energy: 1.1859461952711015
Energy: 1.1896698362805653
Energy: 1.2306189121541515
Energy: 1.2112154897116243
Energy: 1.1840655086124328
Energy: 1.1744951377973727
Energy: 1.190282669352401
Energy: 1.1847582225307942
Energy: 1.249449355011873
Energy: 1.1983929446388137
Energy: 1.2044411280006102
Energy: 1.200347920816796
Energy: 1.2008223382287377
Energy: 1.2073841659965474
Energy: 1.2678916848029858
Energy: 1.2110721863856029
Energy: 1.2121167466533094
Energy: 1.182682720899239
Energy: 1.2112320487717205
Energy: 1.2101587663531888
Energy: 1.2290069627748332
Energy: 1.183242298734383
Energy: 1.1843527605278943
Energy: 1.1975761556213318
Energy: 1.1795381759626276
Energy: 1.1873629556717822
Energy: 1.2554201207145013
Energy: 1.1839880562169247
Energy: 1.2006354584360626
Energy: 1.2015054700607612
Energy: 1.1828763508070366
Energy: 1.1850585526695065
Energy: 1.2205314568232448
Energy: 1.2092269724941258
Energy: 1.2166272375544473
Energy: 1.1784656615353253
Energy: 1.2076940282076067
Energy: 1.218695896212794
Energy: 1.247861042470332
Energy: 1.199623539319639
Energy: 1.1861287924666821
Energy: 1.1696181539011634
Energy: 1.2013146076915613
Energy: 1.1849543423703404
Energy: 1.244022972874211
Energy: 1.181850622354475
Energy: 1.1828569946138388
Energy: 1.202939038581291
Energy: 1.17718415779534
Energy: 1.190535855662145
Energy: 1.2007048829001707
Energy: 1.181327916882474
Energy: 1.1826246142999246
Energy: 1.1839963319738334
Energy: 1.1777206916018552
Energy: 1.2163138553588055
Energy: 1.1747259779760875
Energy: 1.1971023787022914
Energy: 1.1911458134373392
Energy: 1.179233803659002
Energy: 1.199742964636384
Energy: 1.1891071803554234
Energy: 1.1751740051888282
Energy: 1.186912214027687
Energy: 1.1868775849243602
Energy: 1.1773883665150013
Energy: 1.166541486428276
Energy: 1.1865961314857565
Energy: 1.2071869043488972
Energy: 1.2183423205590054
Energy: 1.225343313068013
Energy: 1.2081945038625213
Energy: 1.2180836383152311
Energy: 1.1926700248164894
Energy: 1.2477067214818884
Energy: 1.174889047114384
Energy: 1.1908931564144458
Energy: 1.2319673464094454
Energy: 1.1660259105473927
Energy: 1.1939915417886064
Energy: 1.2405347559484698
Energy: 1.1659046099897241
Energy: 1.188231976733852
Energy: 1.1882659508079243
Energy: 1.1740045510370556
Energy: 1.1865718409804196
Energy: 1.2221926431731887
Energy: 1.2022766840103472
Energy: 1.2050725392006945
Energy: 1.2014159222956753
Energy: 1.1996604450773094
Energy: 1.2060322795161909
Energy: 1.2372789158080262
Energy: 1.204607101455796
Energy: 1.2089539738470532
Energy: 1.2155407653980899
Energy: 1.2040403581338541
Energy: 1.2086380815805493
Energy: 1.235653738232013
Energy: 1.2036356243131474
Energy: 1.2059867334691834
Energy: 1.207291680588544
Energy: 1.2167961752593304
Energy: 1.2068155484809422
Energy: 1.243078061926426
Energy: 1.2350932634701008
Energy: 1.2363298164752423
Energy: 1.1628798386912587
Energy: 1.234086165645589
Energy: 1.1890087490827816

minimum gb energy = 1.1628798386912587 eV
minimum distance =  2.26010436304572 Angstroms
sigma value = 101


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

Energy: 1.7248309461271116
Energy: 1.1566834094545595
Energy: 1.1739552736940866
Energy: 1.1072632285886304
Energy: 1.2000925127944424
Energy: 1.107255050022443
Energy: 1.2286342856864387
Energy: 1.159196808399459
Energy: 1.1571803238633842
Energy: 1.1490261612743353
Energy: 1.18915961974654
Energy: 1.1545423275867406
Energy: 1.227127063506506
Energy: 1.1561679607956021
Energy: 1.157979470186005
Energy: 1.1645542759095624
Energy: 1.1441660270693772
Energy: 1.1605130710668823
Energy: 1.203303750728186
Energy: 1.1677017172752286
Energy: 1.1705181502118143
Energy: 1.1847801239535594
Energy: 1.146224984095894
Energy: 1.1717586557725574
Energy: 1.1621357106057368
Energy: 1.179120949272589
Energy: 1.1737825403983033
Energy: 1.1645944099401788
Energy: 1.159617543108476
Energy: 1.174049121938623
Energy: 1.1679287419462125
Energy: 1.167909858572275
Energy: 1.1682311107058536
Energy: 1.1695921976914205
Energy: 1.167847088743713
Energy: 1.1679184190002774
Energy: 1.191261520910695
Energy: 1.1437332719763698
Energy: 1.1541592037365136
Energy: 1.1426857271689201
Energy: 1.139765962471683
Energy: 1.1582738814699258
Energy: 1.1867535238815101
Energy: 1.1509375986073878
Energy: 1.161496441862541
Energy: 1.1840583075716704
Energy: 1.140888644815197
Energy: 1.1574815950489876
Energy: 1.1406177420102959
Energy: 1.1572996096831207
Energy: 1.1631078425243517
Energy: 1.1432531077816956
Energy: 1.1690477980082232
Energy: 1.1592078643095716
Energy: 1.1384499920675049
Energy: 1.1602078189363383
Energy: 1.1615063171830042
Energy: 1.146197584694283
Energy: 1.1902103896497096
Energy: 1.1617556145726948
Energy: 1.2101261568091939
Energy: 1.1047737070600705
Energy: 1.137486802081924
Energy: 1.1986047178494945
Energy: 1.1126519126998577
Energy: 1.104894663849889
Energy: 1.2281405313412586
Energy: 1.1480267481636537
Energy: 1.1593921877542213
Energy: 1.1979388494988792
Energy: 1.14534287590505
Energy: 1.1613075284047891
Energy: 1.1727321988342558
Energy: 1.170310733059631
Energy: 1.1644427246928009
Energy: 1.1360835550895643
Energy: 1.1713547796487025
Energy: 1.161784737547145
Energy: 1.1898026735560967
Energy: 1.159735442590128
Energy: 1.1592644720906324
Energy: 1.147919314175965
Energy: 1.147897720562593
Energy: 1.1587926609305657
Energy: 1.2256489894527731
Energy: 1.148298030878273
Energy: 1.1582183865300555
Energy: 1.1716280420915843
Energy: 1.1431842234139806
Energy: 1.1641680148897426
Energy: 1.226679455393254
Energy: 1.1535116284129858
Energy: 1.1710052427870346
Energy: 1.1472788995304628
Energy: 1.1387228397766211
Energy: 1.1709212849815365
Energy: 1.1755824396382852
Energy: 1.1907601614234704
Energy: 1.1789859926277024
Energy: 1.105606135394633
Energy: 1.1930137457146748
Energy: 1.1022441312774116
Energy: 1.272237070471396
Energy: 1.1792912017001407
Energy: 1.1640730002467827
Energy: 1.1694491855896578
Energy: 1.1887890015233358
Energy: 1.1783728931397002
Energy: 1.2259553267376582
Energy: 1.1472602196039632
Energy: 1.1622985904223142
Energy: 1.1686784330645545
Energy: 1.145125472739461
Energy: 1.1650519227018128
Energy: 1.201063062073177
Energy: 1.1482326750398897
Energy: 1.155170459189253
Energy: 1.1706712777462516
Energy: 1.146075066145224
Energy: 1.1575141513082132
Energy: 1.1661980818346267
Energy: 1.1764769455206914
Energy: 1.1695595107894428
Energy: 1.1688721999608955
Energy: 1.1543639563421175
Energy: 1.1736943783446874
Energy: 1.1945824437832586
Energy: 1.1507865146510574
Energy: 1.1688435730730533
Energy: 1.1411777218091372
Energy: 1.1540920853678625
Energy: 1.1660246915352266
Energy: 1.1810573360448005
Energy: 1.1426792378477253
Energy: 1.1436205173710017
Energy: 1.1868660823241413
Energy: 1.141161160129188
Energy: 1.1408888320342498
Energy: 1.194052556378626
Energy: 1.158006955500741
Energy: 1.161990465872332
Energy: 1.1834551748585778
Energy: 1.1569085720197276
Energy: 1.180228937787605
Energy: 1.1563017835127565
Energy: 1.1584726985067852
Energy: 1.1568223648247344
Energy: 1.155259977663378
Energy: 1.1718645835721615
Energy: 1.1558661170085909
Energy: 1.141270849301551
Energy: 1.1599290978194492
Energy: 1.1618146130624218
Energy: 1.1438531149159628
Energy: 1.1589997850902252
Energy: 1.1605013556348918
Energy: 1.1623075417519844
Energy: 1.1177104808428657
Energy: 1.1384977864062746
Energy: 1.1530107246412176
Energy: 1.1096997920855767
Energy: 1.1097294350703977
Energy: 1.2269781247853124
Energy: 1.1086872387633473
Energy: 1.1111779443896586
Energy: 1.1731043429330523
Energy: 1.109589281661111
Energy: 1.1697422019255614
Energy: 1.1714387433454463
Energy: 1.1605900767857442
Energy: 1.1676181257594038
Energy: 1.1342872845688903
Energy: 1.1959709676501662
Energy: 1.1643993374146862
Energy: 1.1722200488973644
Energy: 1.1455867190258866
Energy: 1.1744579428633877
Energy: 1.1387862400225994
Energy: 1.1489417907721284
Energy: 1.1730160558050797
Energy: 1.2262877532288345
Energy: 1.1472829082478277
Energy: 1.165405469239108
Energy: 1.1588506429772791
Energy: 1.1444211996000864
Energy: 1.1694919184809405
Energy: 1.2260999128855936
Energy: 1.1511996765779655
Energy: 1.1570084196586956
Energy: 1.1775050512395735
Energy: 1.1529089912006312
Energy: 1.157187549877398
Energy: 1.1785552356399231
Energy: 1.143414300721172
Energy: 1.1067568646465769
Energy: 1.1023051356635045
Energy: 1.1404770830530724
Energy: 1.1077684322891868

minimum gb energy = 1.1022441312774116 eV
minimum distance =  2.24821189802062 Angstroms
sigma value = 33


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

Energy: 0.020480072522247657
Energy: 0.992291034183688
Energy: 0.021119371189307904
Energy: 0.02304505803900926
Energy: 0.9942566525941962
Energy: 0.02101726171295585
Energy: 0.5855970738815033
Energy: 0.16825023176647863
Energy: 0.1659882963461829
Energy: 0.16722821892722492
Energy: 0.166687453506453
Energy: 0.1657823430433662
Energy: 1.4176609390071704
Energy: 0.9958379969847342
Energy: 0.9934365689449299
Energy: 0.9904422405816189
Energy: 0.9941310259970265
Energy: 0.9941726101054317
Energy: 0.021510610882093214
Energy: 0.1682502317692333
Energy: 0.16598829634296047
Energy: 0.16722821892857628
Energy: 0.16668745350323058
Energy: 0.1657823430428984

minimum gb energy = 0.020480072522247657 eV
minimum distance =  2.45781140209963 Angstroms
sigma value = 1