Model name: model_name=EAM_Dynamo_StollerTammBeland_2016_Ni__MO_103383163946_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973
cohesive_energy=4.423116541956746
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=[2.0875880888029797e-19, 2.9355881376464996e-19, 3.5740234827628197e-19, 4.0902127507049393e-19, 4.52201537533428e-19, 4.89054804468696e-19, 5.20906075952616e-19, 5.486605817833979e-19, 5.72968805674446e-19, 5.94316207145862e-19, 6.13079297706636e-19, 6.295592865639599e-19, 6.43996500212934e-19, 6.56592812909442e-19, 6.67513248846786e-19, 6.76902003922026e-19, 6.848792413827119e-19, 6.915523070633219e-19, 6.970093206787259e-19, 7.01331993237258e-19, 7.04594024864082e-19, 7.0685629827129e-19, 7.081764918177059e-19, 7.086058751556179e-19, 7.081444482850259e-19, 7.06654424015406e-19, 7.039547563871159e-19, 6.998323559078339e-19, 6.94027669962852e-19, 6.86234682815076e-19, 6.7608489383868595e-19, 6.631248870462599e-19, 6.4371451712535e-19, 6.147455614059959e-19, 5.76067415284602e-19, 5.28183162224244e-19, 4.726661396795099e-19, 4.1164724257362e-19, 3.44735539807878e-19, 2.7046343758553995e-19, 1.8648534931443e-19, 8.89978678830954e-20, -2.83203946179108e-20, -2.0546633589742796e-19, -5.0764165559973e-19, -9.53452110540132e-19, -1.5614637235534257e-18, -2.35396597597182e-18, -3.4172825426586e-18, -4.9578554850813e-18, -7.337248004234699e-18, -1.113403812618888e-17, -1.78471261791162e-17, -3.41795545684488e-17]
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: -0.0272313164 eV

========================================
theta = 0.0
========================================

Energy: 0.017993108874311044
Energy: 0.018608142079322248
Energy: 0.018422183754416316
Energy: 0.01829021083660503
Energy: 0.7107307808689848
Energy: 0.018423303360199997
Energy: 0.018608142079322248
Energy: 0.15480060716773078
Energy: 0.15681223358319898
Energy: 0.1550408712331942
Energy: 0.15497443554102652
Energy: 0.15653478977565471
Energy: 0.018422183754747083
Energy: 0.15681223358286822
Energy: 0.15606043172189324
Energy: 0.018421042475961005
Energy: 0.15493703858997493
Energy: 0.15591618839115431
Energy: 0.01829021083660503
Energy: 0.15504087123157714
Energy: 0.01842104247566699
Energy: 0.018289244224395235
Energy: 0.1550114178198855
Energy: 0.018477958933364208
Energy: 0.7107307808699403
Energy: 0.1549744355413573
Energy: 0.15493703858997493
Energy: 0.1550114178198855
Energy: 0.15486416433228373
Energy: 0.15534079334819575
Energy: 0.018423303360530763
Energy: 0.15653478977565471
Energy: 0.1559161883908603
Energy: 0.018477958933658226
Energy: 0.15534079334819575
Energy: 0.018221418471654975

minimum gb energy = 0.017993108874311044 eV
minimum distance =  2.48669488926594 Angstroms
sigma value = 1


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

Energy: 1.7766360897866824
Energy: 1.2000950413950207
Energy: 1.1862014358097213
Energy: 1.1955278415246244
Energy: 1.2039453489352803
Energy: 1.18607083593007
Energy: 1.8271478960186966
Energy: 1.1876418456197144
Energy: 1.1450120578651788
Energy: 1.145077275083694
Energy: 1.21403538041189
Energy: 1.1598684537930517
Energy: 1.8513371656453304
Energy: 1.1505720667625976
Energy: 1.1206923003757718
Energy: 1.1205300920238088
Energy: 1.214281251900333
Energy: 1.1214742280073962
Energy: 1.875448924524934
Energy: 1.1351947937637286
Energy: 1.1206479640539475
Energy: 1.120940957440334
Energy: 1.1345218510966113
Energy: 1.1207414010878183
Energy: 1.7058028299946797
Energy: 1.1812394701524236
Energy: 1.1816063931957743
Energy: 1.1880255549650365
Energy: 1.1809716422935173
Energy: 1.1630082295555575
Energy: 1.6586213294525554
Energy: 1.1634516340467143
Energy: 1.1603951808278603
Energy: 1.162531219369416
Energy: 1.1808615227307269
Energy: 1.1628136028500105
Energy: 1.6553565265842582
Energy: 1.1607225532293746
Energy: 1.1622961038554704
Energy: 1.16267873253405
Energy: 1.1608693518853292
Energy: 1.163702903159679
Energy: 1.6270987802410837
Energy: 1.1823634568645127
Energy: 1.1816891679845485
Energy: 1.147632941297994
Energy: 1.1798118228576338
Energy: 1.1635407515992446
Energy: 1.3065281922001706
Energy: 1.1640408540577134
Energy: 1.1630450595919217
Energy: 1.180877692475689
Energy: 1.1613292931494574
Energy: 1.1615674394136501
Energy: 1.3055386002133176
Energy: 1.1869057659001667
Energy: 1.1858311891252262
Energy: 1.180575576646954
Energy: 1.188068670421651
Energy: 1.185046446833738
Energy: 1.4662791662876675
Energy: 1.1334243202152823
Energy: 1.133636260258564
Energy: 1.2608165889462084
Energy: 1.1335520820861387
Energy: 1.1032351698791645
Energy: 1.2156239864029756
Energy: 1.1209756022209523
Energy: 1.1215305978511614
Energy: 1.2154481875142105
Energy: 1.1093430217162366
Energy: 1.1217622492936594
Energy: 1.2138185002969037
Energy: 1.1609256053108763
Energy: 1.1599876733499679
Energy: 1.2138907608564788
Energy: 1.1220037840297301
Energy: 1.142854498248695
Energy: 1.2317051275073712
Energy: 1.1210521511633997
Energy: 1.1207021362861795
Energy: 1.1874777799715373
Energy: 1.1213664669543228
Energy: 1.1033312287015233
Energy: 1.2300697411977943
Energy: 1.1849920615920897
Energy: 1.1835959418811675
Energy: 1.1920764903672798
Energy: 1.1676596694497694
Energy: 1.1737379166955977
Energy: 1.2313384309535895
Energy: 1.1212985531378605
Energy: 1.12095462135215
Energy: 1.19272167137443
Energy: 1.1211046299855594
Energy: 1.1212488974452197
Energy: 1.4512943865791421
Energy: 1.1612040069774656
Energy: 1.1604874302944292
Energy: 1.1214556893061942
Energy: 1.1611754008780937
Energy: 1.1214573994170092
Energy: 1.452110971927957
Energy: 1.1634590389299604
Energy: 1.1838073800784812
Energy: 1.182782735305258
Energy: 1.1604879369310739
Energy: 1.1828718964361773
Energy: 1.4514681856502325
Energy: 1.1831883342344316
Energy: 1.1821269349497168
Energy: 1.1828638372572993
Energy: 1.185865440959236
Energy: 1.1830805262902389
Energy: 1.6992192612079104
Energy: 1.1839767094539795
Energy: 1.183211820258171
Energy: 1.1860452527292062
Energy: 1.18602330158414
Energy: 1.1829929312156455
Energy: 1.7663815806479048
Energy: 1.1216563357506082
Energy: 1.1336520560260055
Energy: 1.1335659894641823
Energy: 1.1602387522658877
Energy: 1.1338911468060155
Energy: 1.7652654437305495
Energy: 1.158555559613254
Energy: 1.1218082584375237
Energy: 1.134147673589176
Energy: 1.1943604086008923
Energy: 1.1211959600678398
Energy: 1.7782938548613694
Energy: 1.191727290430904
Energy: 1.1582687166293884
Energy: 1.1339087149029956
Energy: 1.1914796876974265
Energy: 1.183693679394212

minimum gb energy = 1.1032351698791645 eV
minimum distance =  2.28565200917721 Angstroms
sigma value = 33


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

Energy: 1.9394214187392844
Energy: 1.1672601906446318
Energy: 1.16722834901466
Energy: 1.1715062341352647
Energy: 1.1523539270594843
Energy: 1.1674518241656382
Energy: 1.3910223841439115
Energy: 1.1998128240648032
Energy: 1.1509629180784662
Energy: 1.1501649492008732
Energy: 1.199976681525017
Energy: 1.161919866981659
Energy: 1.656281430446472
Energy: 1.2000325906816942
Energy: 1.19981385992253
Energy: 1.1599016465616798
Energy: 1.19984107201236
Energy: 1.1514302552927367
Energy: 1.6524538573476069
Energy: 1.2000004065079426
Energy: 1.151718092748035
Energy: 1.1647019041672526
Energy: 1.199942379319582
Energy: 1.1642522124507717
Energy: 1.5289437446719791
Energy: 1.2141719799844917
Energy: 1.2129205149701623
Energy: 1.2142948223618322
Energy: 1.2150723305537314
Energy: 1.1819588213676366
Energy: 1.6554850093265518
Energy: 1.1634435127780587
Energy: 1.1618646152513525
Energy: 1.168349746466558
Energy: 1.214605280062377
Energy: 1.1614014115500493
Energy: 1.6543538763833512
Energy: 1.1620366298846905
Energy: 1.1690912081567604
Energy: 1.1685780022699268
Energy: 1.16229922996596
Energy: 1.1687302424495747
Energy: 1.527305350321738
Energy: 1.2118411875049793
Energy: 1.2084748438420578
Energy: 1.2227162883617921
Energy: 1.2073039768619644
Energy: 1.2084615196257869
Energy: 1.2913816065858803
Energy: 1.2066090151805964
Energy: 1.1621804183226514
Energy: 1.2140235298723663
Energy: 1.2068361446648381
Energy: 1.2157975187134358
Energy: 1.292269828756262
Energy: 1.2127086492482564
Energy: 1.2122989595134852
Energy: 1.213189809038089
Energy: 1.2127526641990112
Energy: 1.22194366462524
Energy: 1.3250414115886215
Energy: 1.0841334671216625
Energy: 1.084243318296023
Energy: 1.208121087748145
Energy: 1.084686890927408
Energy: 1.0844301222817463
Energy: 1.200028675326229
Energy: 1.1003369926639202
Energy: 1.1618732858766978
Energy: 1.199858332562979
Energy: 1.10095817159179
Energy: 1.100856274525652
Energy: 1.2008367979312606
Energy: 1.2125512672735939
Energy: 1.1240853144128575
Energy: 1.20010665412493
Energy: 1.2118482260876182
Energy: 1.2000213101452877
Energy: 1.3499984693737657
Energy: 1.1643928009560083
Energy: 1.1645524171494175
Energy: 1.199714106369559
Energy: 1.1645678492376814
Energy: 1.1073289145251146
Energy: 1.2897833513942054
Energy: 1.2133278581762683
Energy: 1.2175325922521933
Energy: 1.213861723642969
Energy: 1.2131771642614688
Energy: 1.2218185660045515
Energy: 1.2921497634837766
Energy: 1.160289223054595
Energy: 1.1612552314921665
Energy: 1.2138531325995998
Energy: 1.1679500429345484
Energy: 1.1618988425192012
Energy: 1.5248504076975866
Energy: 1.1685532957246658
Energy: 1.1685290667399326
Energy: 1.1117461825376311
Energy: 1.1687045635709794
Energy: 1.1692245628673903
Energy: 1.3899548200661749
Energy: 1.2228396962459842
Energy: 1.1710039329483044
Energy: 1.2071096737857783
Energy: 1.2199559256521595
Energy: 1.207473701810618
Energy: 1.390284909996768
Energy: 1.2142087067393177
Energy: 1.2145645864302361
Energy: 1.206803676784328
Energy: 1.2139628033517866
Energy: 1.161268348759885
Energy: 1.5253487305987723
Energy: 1.2129855471927429
Energy: 1.213254265344185
Energy: 1.2149088034111608
Energy: 1.2132297496781999
Energy: 1.2136669179537638
Energy: 1.9016408596286225
Energy: 1.1609893732736054
Energy: 1.08412137490874
Energy: 1.0842892212474027
Energy: 1.1609960714818777
Energy: 1.0838994812493656
Energy: 1.8979521255543146
Energy: 1.199758454113592
Energy: 1.151865660035388
Energy: 1.0842567850215734
Energy: 1.1997071304831772
Energy: 1.1622800018539836
Energy: 1.6672793713436092
Energy: 1.2001951143979737
Energy: 1.1998678724172336
Energy: 1.2131934206905586
Energy: 1.2002392534475166
Energy: 1.1108713723456496
Energy: 1.6640355229622847
Energy: 1.302169504462505
Energy: 1.1519184135200347
Energy: 1.1654103191294423
Energy: 1.3019220790732235
Energy: 1.1405200434857308
Energy: 1.1575642920599536
Energy: 1.166426753733256
Energy: 1.2216417350570232
Energy: 1.2127686095099321
Energy: 1.2220847274987634
Energy: 1.1696112936648786
Energy: 1.6578242327211559
Energy: 1.2134187067014446
Energy: 1.1618281392041976
Energy: 1.1680396043148997
Energy: 1.2132191078869388
Energy: 1.1613781639280174
Energy: 1.6531786058156668
Energy: 1.1695379367223058
Energy: 1.1687208227278711
Energy: 1.1686930813419916
Energy: 1.1128898010831252
Energy: 1.1686863994343293
Energy: 1.5296235067998962
Energy: 1.2066944226171945
Energy: 1.2086263764310254
Energy: 1.2141338630895577
Energy: 1.2066284446850661
Energy: 1.1680289598144453
Energy: 1.291290750181092
Energy: 1.20674494367926
Energy: 1.2081834080201015
Energy: 1.21448587957705
Energy: 1.2067062331445182
Energy: 1.1611699883364597
Energy: 1.2913887948528688
Energy: 1.212373539814361
Energy: 1.2113020199510478
Energy: 1.2149780977156135
Energy: 1.2129217632664628
Energy: 1.213006319303446
Energy: 1.5205759733354527
Energy: 1.083999500729617
Energy: 1.0839317942233155
Energy: 1.1516425281665328
Energy: 1.0842758340979002
Energy: 1.0836952051566817
Energy: 1.1994929572128337
Energy: 1.0843429038978778
Energy: 1.0840523644156177
Energy: 1.1996635909305358
Energy: 1.0845794185475208
Energy: 1.1618731079854099
Energy: 1.2010306204556702
Energy: 1.2118142403155667
Energy: 1.1800911601073039
Energy: 1.2007226101701802
Energy: 1.2119585402021684
Energy: 1.2000739678759218
Energy: 1.2001827075768583
Energy: 1.1647854934681712
Energy: 1.1651793150716445
Energy: 1.2002440476370213
Energy: 1.165106929027425
Energy: 1.1069024881268157
Energy: 1.2899450254405873
Energy: 1.211720727536428
Energy: 1.1807401112138394
Energy: 1.1654996785997933
Energy: 1.2130381560604107
Energy: 1.221481243348084
Energy: 1.28979853314644
Energy: 1.160824716083715
Energy: 1.1613182725820717
Energy: 1.2137950554116506
Energy: 1.1607090639370496
Energy: 1.1621002661534625
Energy: 1.289814214161072
Energy: 1.168524570131524
Energy: 1.168557676690608
Energy: 1.141371654722554
Energy: 1.1686987770243609
Energy: 1.168745474671271
Energy: 1.3900223057903451
Energy: 1.2152033554025141
Energy: 1.1619403353826143
Energy: 1.206557064821165
Energy: 1.214446255680909
Energy: 1.1816017327757617
Energy: 1.3900388059885578
Energy: 1.213472980416954
Energy: 1.2199413280970595
Energy: 1.2072940173621596
Energy: 1.21335763480607
Energy: 1.2073255639265232
Energy: 1.5259101131655703
Energy: 1.2137053869211962
Energy: 1.21445646857584
Energy: 1.1769584347081388
Energy: 1.2137879405743965
Energy: 1.2122860313768402
Energy: 1.9055480963973987
Energy: 1.1608996383992125
Energy: 1.0835231740067555
Energy: 1.0845612319648115
Energy: 1.1516321370738853
Energy: 1.0834635158587482

minimum gb energy = 1.0834635158587482 eV
minimum distance =  2.33399329310307 Angstroms
sigma value = 51


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

Energy: 1.8353557184031992
Energy: 1.334443802857929
Energy: 1.3344380877062623
Energy: 1.2220255782505511
Energy: 1.335408983233823
Energy: 1.2039493893351791
Energy: 1.5107543359306341
Energy: 1.2383586832898275
Energy: 1.2383015213130357
Energy: 1.1179033437966623
Energy: 1.2383780385022738
Energy: 1.2225533623321807
Energy: 1.673868764404416
Energy: 1.2386464177402807
Energy: 1.2384371502478289
Energy: 1.172483995558029
Energy: 1.23871413420835
Energy: 1.1509590843041244
Energy: 1.6702426029607385
Energy: 1.1502867596216173
Energy: 1.1496506820000132
Energy: 1.1709117701660035
Energy: 1.200009108511904
Energy: 1.1574337454731405
Energy: 1.236020521870974
Energy: 1.2317685507708889
Energy: 1.230831733448442
Energy: 1.2348952938364228
Energy: 1.2340803992908853
Energy: 1.229895963655336
Energy: 1.417907575212924
Energy: 1.2363456765570953
Energy: 1.206951674833729
Energy: 1.2347317426982187
Energy: 1.235018449379247
Energy: 1.2300425364482324
Energy: 1.417693410853672
Energy: 1.2037300090904761
Energy: 1.230638469022549
Energy: 1.2349566143314339
Energy: 1.2085233822288364
Energy: 1.2337829327643746
Energy: 1.4373148093328723
Energy: 1.1498513442336187
Energy: 1.1275249292725031
Energy: 1.198121399681738
Energy: 1.150236299894056
Energy: 1.128198885881715
Energy: 1.238942902083642
Energy: 1.1283850452231052
Energy: 1.1289986185436278
Energy: 1.2381702370644279
Energy: 1.1513843067393545
Energy: 1.1622301304103182
Energy: 1.2386642667605414
Energy: 1.183363000985497
Energy: 1.2326758112205094
Energy: 1.238691955156148
Energy: 1.1835791189909863
Energy: 1.238355380757738
Energy: 1.2393458958302168
Energy: 1.1707360615081746
Energy: 1.1597650566034576
Energy: 1.239109659606874
Energy: 1.1983097477171967
Energy: 1.1488833164760655
Energy: 1.267756472374363
Energy: 1.2102002627660722
Energy: 1.2330443158987907
Energy: 1.2020212981647878
Energy: 1.1585851106880212
Energy: 1.2324581045860343
Energy: 1.2675956180188088
Energy: 1.162076731824264
Energy: 1.1632521501421278
Energy: 1.2325430254889458
Energy: 1.1621656989621048
Energy: 1.1930550774746358
Energy: 1.2681688068384196
Energy: 1.1730375195784997
Energy: 1.1728669779402314
Energy: 1.1504993047574856
Energy: 1.173159625033901
Energy: 1.1863283603290329
Energy: 1.5102556270026664
Energy: 1.1661801335283741
Energy: 1.166393352980824
Energy: 1.1863518851359947
Energy: 1.1665577368641629
Energy: 1.1615519217935433
Energy: 1.5105824724736154
Energy: 1.2329459454483813
Energy: 1.1669731540386343
Energy: 1.1852750645054773
Energy: 1.2332376492588875
Energy: 1.1860595116195982
Energy: 1.704122717483514
Energy: 1.2331191827848542
Energy: 1.2328635541544672
Energy: 1.172226478524766
Energy: 1.2332635829299572
Energy: 1.2323646696831565
Energy: 1.8261872668564794
Energy: 1.192250399677891
Energy: 1.1591045648696348
Energy: 1.1493934748345114
Energy: 1.2388920233844372
Energy: 1.157672098721078

minimum gb energy = 1.1179033437966623 eV
minimum distance =  2.2993126696045 Angstroms
sigma value = 19


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

Energy: 1.7597410745875257
Energy: 1.2768320529412227
Energy: 1.1323521371755798
Energy: 1.3362821198845165
Energy: 1.1520957502158555
Energy: 1.2765508796991598
Energy: 1.1927446229491423
Energy: 1.1978815911614478
Energy: 1.1618586022906265
Energy: 1.1894730973449614
Energy: 1.1981004001499518
Energy: 1.1622741524845137
Energy: 1.4745055296897827
Energy: 1.1978800233365
Energy: 1.1947180853057109
Energy: 1.170335017384954
Energy: 1.1947687164560348
Energy: 1.1978052066444493
Energy: 1.4518511382664867
Energy: 1.3734704190540599
Energy: 1.2695523901312564
Energy: 1.2669709705921215
Energy: 1.2765983620564545
Energy: 1.3733212967588042
Energy: 1.3190194283428716
Energy: 1.3730149970330219
Energy: 1.2224633058225238
Energy: 1.1922066757833005
Energy: 1.2688553078849782
Energy: 1.343916153269694
Energy: 1.2841585367107966
Energy: 1.2275320306599438
Energy: 1.3653317557743483
Energy: 1.3096741740986313
Energy: 1.2277089613171082
Energy: 1.3085393655723423
Energy: 1.3235784662461196
Energy: 1.339660904403595
Energy: 1.323980894565792
Energy: 1.3262838558513723
Energy: 1.252427271476888
Energy: 1.3007861787634296
Energy: 1.4346455795491675
Energy: 1.1279241364000265
Energy: 1.1283011505847769
Energy: 1.291382752194865
Energy: 1.0748542582765672
Energy: 1.0754184800574518
Energy: 1.2914289650660526
Energy: 1.1277687618373884
Energy: 1.1282310390491261
Energy: 1.2918895238316916
Energy: 1.07391785084461
Energy: 1.082422886762133
Energy: 1.2917660306187257
Energy: 1.3955856527741666
Energy: 1.2922168269130807
Energy: 1.253793762460763
Energy: 1.290655058854519
Energy: 1.2939088136709154
Energy: 1.2915408806869306
Energy: 1.2681949822801635
Energy: 1.2677552431800243
Energy: 1.2941371022195247
Energy: 1.2673475592327295
Energy: 1.300580592286168
Energy: 1.3108418743411088
Energy: 1.438483101427838
Energy: 1.338661700078456
Energy: 1.3980834863483906
Energy: 1.3325982206109235
Energy: 1.3187475232366732
Energy: 1.227493451123203
Energy: 1.4009079956183101
Energy: 1.3996591008641077
Energy: 1.228764047061097
Energy: 1.4016950825069474
Energy: 1.4145185894641332
Energy: 1.3939174952375428
Energy: 1.3923053548850257
Energy: 1.391542457894933
Energy: 1.3765791531618525
Energy: 1.3927055157276063
Energy: 1.391196293633455
Energy: 1.0621328435638946
Energy: 1.3751242101661947
Energy: 1.3674807692968194
Energy: 1.0737036098736166
Energy: 1.375230374972318
Energy: 1.0637519713902932
Energy: 1.561780546601998
Energy: 1.3097715767382108
Energy: 1.0755482299145067
Energy: 1.0740561753065667
Energy: 1.4455474022568866
Energy: 1.0755278049017243
Energy: 1.7093390046134445
Energy: 1.375255849059184
Energy: 1.3750990093287432
Energy: 1.4059612476532548
Energy: 1.375484155385282
Energy: 1.375038112319037
Energy: 1.4493299239533433
Energy: 1.375142024089691
Energy: 1.375283923300742
Energy: 1.2668449885840405
Energy: 1.3747174388636745
Energy: 1.3753509586743766
Energy: 1.449116580160873
Energy: 1.3896416695771678
Energy: 1.2653187233940992
Energy: 1.266806799395454
Energy: 1.4044225655944547
Energy: 1.435785403808138
Energy: 1.6730150141250604
Energy: 1.2277905695113862
Energy: 1.3152498716983456
Energy: 1.4233428430298185
Energy: 1.2276945192895956
Energy: 1.4366869863779899
Energy: 1.319194818323166
Energy: 1.3115876804209832
Energy: 1.297989113292801
Energy: 1.3469001359571435
Energy: 1.2978590445191631
Energy: 1.345782594535688
Energy: 1.3188028581610223
Energy: 1.2949791718435566
Energy: 1.2954013845295773
Energy: 1.3204495943001793
Energy: 1.2629702527448279
Energy: 1.319914027882118
Energy: 1.3689077937388032
Energy: 1.0750752564732986
Energy: 1.076525804995808
Energy: 1.3685451650892624
Energy: 1.1286801453133386
Energy: 1.1293319630748198
Energy: 1.2990189674248984
Energy: 1.2855160609169054
Energy: 1.2970682758295582
Energy: 1.2995472694795236
Energy: 1.1282187411469178
Energy: 1.2989656880108844
Energy: 1.2989740583137328
Energy: 1.285726791689599
Energy: 1.2962751231371354
Energy: 1.2990493397898564
Energy: 1.295192075136377
Energy: 1.2989945218826713
Energy: 1.5960884945447058
Energy: 1.266921654792208
Energy: 1.267133768895305
Energy: 1.2775086981122037
Energy: 1.267075517550018
Energy: 1.3738131564154061
Energy: 1.1931741926997501
Energy: 1.4055433396969266
Energy: 1.2018013716738662
Energy: 1.1377694404139624
Energy: 1.321562884756192
Energy: 1.4212500595478623
Energy: 1.2265269132979584
Energy: 1.2636147216321643
Energy: 1.1870341542364204
Energy: 1.2275745959886317
Energy: 1.1861977709155611
Energy: 1.18164208030602
Energy: 1.2768251548319756
Energy: 1.2362046117119927
Energy: 1.2036184203692244
Energy: 1.191056644605333
Energy: 1.2359446454257939
Energy: 1.2347456291968886
Energy: 1.2021234848330549
Energy: 1.1916579766546584
Energy: 1.0621292569183565
Energy: 1.0735563204063494
Energy: 1.1982260825525008
Energy: 1.2006586521713927

minimum gb energy = 1.0621292569183565 eV
minimum distance =  2.27829327668658 Angstroms
sigma value = 27


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

Energy: 1.334616672974334
Energy: 1.34490807626333
Energy: 1.3452913927304548
Energy: 1.1858352712343758
Energy: 1.197147365517629
Energy: 1.3442986912883597
Energy: 1.0671156732096845
Energy: 1.1423386876234953
Energy: 1.142586153380766
Energy: 1.057428665035227
Energy: 1.1422775271300825
Energy: 1.0937061833700183
Energy: 1.203376412037712
Energy: 1.1427283160190045
Energy: 1.143146817654853
Energy: 1.0587449043765402
Energy: 1.1439479461331072
Energy: 1.093647526329322
Energy: 1.0675898660605305
Energy: 1.1432251405957137
Energy: 1.0871975520184867
Energy: 1.0597130670669346
Energy: 1.142966089501497
Energy: 1.0569810175693028
Energy: 1.336165051300333
Energy: 0.993451614975595
Energy: 1.0579660766306584
Energy: 1.1434158348814165
Energy: 0.9925793834358252
Energy: 1.057479416657409
Energy: 1.1426364266867917
Energy: 0.9940827079118141
Energy: 0.9943139642438635
Energy: 1.1423108719014619
Energy: 0.9935070360101914
Energy: 0.9942882523348383
Energy: 1.143667678229689
Energy: 1.0570443435881138
Energy: 1.095815130599102
Energy: 1.144013664156433
Energy: 1.0574345013812838
Energy: 1.1424597293096355
Energy: 1.142890146547584
Energy: 1.0521652344512915
Energy: 1.052270663142173
Energy: 1.1429267857518262
Energy: 1.052713634277101
Energy: 1.0532173653621384
Energy: 1.2039145127535353
Energy: 1.0520568519095896
Energy: 1.0599604196448333
Energy: 1.1424725549215144
Energy: 1.0530682483678584
Energy: 1.093742572244415
Energy: 1.2053549998681177
Energy: 1.0853611484353831
Energy: 1.0836202755266127
Energy: 1.0852937689020736
Energy: 1.0858110899045927
Energy: 1.083764521289266
Energy: 1.2034004023428528
Energy: 1.086754345710477
Energy: 1.0890258452108756
Energy: 1.0856241403889422
Energy: 1.1364620952752376
Energy: 1.0867622797831087
Energy: 1.3355838019774005
Energy: 1.0952048624976602
Energy: 1.0937589489904995
Energy: 1.0571640168108971
Energy: 1.0862444208992876
Energy: 1.0938358333605036

minimum gb energy = 0.9925793834358252 eV
minimum distance =  2.32046871928812 Angstroms
sigma value = 9


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

Energy: 2.1084203681733853
Energy: 1.1886825612158796
Energy: 1.1285124188010796
Energy: 1.1434161523128126
Energy: 1.3749586278846928
Energy: 1.2449151790889
Energy: 1.4187568456208226
Energy: 0.9897829774716365
Energy: 0.9882145118238297
Energy: 0.9803763305043329
Energy: 0.9908236576833359
Energy: 0.9811159888249185
Energy: 1.0286270309516907
Energy: 0.9914053123083801
Energy: 0.9902169281060011
Energy: 1.0022244977932024
Energy: 0.9920585613088485
Energy: 0.9939924613772412
Energy: 1.03010700512601
Energy: 0.9670672454759365
Energy: 0.9828171909193635
Energy: 0.9856650314048001
Energy: 0.9832633571231566
Energy: 0.9591091662697572
Energy: 1.4292503894376731
Energy: 0.9790585779362397
Energy: 0.9796180246729597
Energy: 1.018374459261933
Energy: 1.0067856154852612
Energy: 1.004867030729068
Energy: 1.0180373400534761
Energy: 0.8976441861886897
Energy: 0.9802450295577956
Energy: 1.0179208848343115
Energy: 0.8975299910660361
Energy: 0.9836054678925037
Energy: 1.0190996950847506
Energy: 0.9665081894862434
Energy: 0.9655898116780173
Energy: 1.0197162936623618
Energy: 0.9657506278185729
Energy: 1.0181588558936545
Energy: 1.0181923601252902
Energy: 0.9538980289414964
Energy: 1.005190858372426
Energy: 1.0185599842689135
Energy: 0.9526334933577155
Energy: 1.0391857132599422
Energy: 1.4521408117942882
Energy: 1.0015951312650648
Energy: 1.0290978208912032
Energy: 1.0143464242743971
Energy: 1.0075967140791922
Energy: 1.0490088107978293
Energy: 0.9522749707881014
Energy: 1.001321913370356
Energy: 0.9996008999457648
Energy: 0.9722773365072302
Energy: 1.0127825081783055
Energy: 0.9471765914222946
Energy: 0.9522165559498823
Energy: 1.0185321462131307
Energy: 1.0187252005115404
Energy: 1.0020805618449578
Energy: 1.018513410197309
Energy: 0.9919405626189209
Energy: 1.4358401185994711
Energy: 1.0183937948902904
Energy: 1.0183731606501187
Energy: 0.9829950501004635
Energy: 1.018824394820382
Energy: 1.0035579411120135
Energy: 1.0351984900423417
Energy: 1.042742300526011
Energy: 1.2255411507230227
Energy: 0.971364332387603
Energy: 1.1487887136879977
Energy: 1.0615807440336942
Energy: 1.4362749868590088
Energy: 1.0179587311818652
Energy: 1.0021712975099981
Energy: 0.9831414462755547
Energy: 1.018103946191712
Energy: 1.0072822583496244
Energy: 0.9894321422518988
Energy: 0.9963515719923434
Energy: 0.9980991234672135
Energy: 0.9897017681042946
Energy: 0.996501611999651
Energy: 0.969827757895578
Energy: 0.9902595046677958
Energy: 0.9565807212641967
Energy: 0.9702085191914955
Energy: 0.991545974430504
Energy: 1.007429378966117
Energy: 1.008557370244785
Energy: 0.9902638856630983
Energy: 0.9641113559067747
Energy: 0.9646823880491449
Energy: 0.9902393643515932
Energy: 0.9812374678210651
Energy: 0.989472282970657
Energy: 1.1860262376428463
Energy: 0.9677036797418012
Energy: 0.9651603462895543
Energy: 0.9899401563359024
Energy: 0.9774521306450863
Energy: 0.9901417538741715
Energy: 1.0295140022337095
Energy: 0.9814111694937708
Energy: 0.9802384085146246
Energy: 0.99022980302032
Energy: 0.9805350213110415
Energy: 0.9904887999617311
Energy: 1.0296355061301665
Energy: 0.9803522094669331
Energy: 0.958998044578584
Energy: 0.978669007979058
Energy: 0.978649731763061
Energy: 0.9384386278232729
Energy: 1.0293727973046871
Energy: 0.9808347173862838
Energy: 0.9671986662395391
Energy: 0.9577543721843699
Energy: 0.9804829196995524
Energy: 0.9376092047285439
Energy: 1.4532653161570688
Energy: 0.9896664569957886
Energy: 1.0194063240315065
Energy: 1.008371809790695
Energy: 0.9897891822848062
Energy: 0.9859117573065771
Energy: 1.454117153201934
Energy: 0.9905344598631415
Energy: 1.0299208945867804
Energy: 1.0083452022657065
Energy: 0.9903721280113239
Energy: 0.9445204458922516
Energy: 1.0287589053447697
Energy: 0.9912751269444514
Energy: 0.990987972237331
Energy: 1.0138951105495895
Energy: 0.9919885592507832
Energy: 0.9957062455034024
Energy: 1.3472261380719044
Energy: 0.9665273027925929
Energy: 0.9679819296727835
Energy: 0.9576937174427219
Energy: 0.9898752691798561
Energy: 1.019968217047153
Energy: 1.2771767419017277
Energy: 0.9834162937732672
Energy: 1.0077774065368583
Energy: 1.0144440026242443
Energy: 0.9833780493177703
Energy: 1.0055283664293244
Energy: 1.1772828888292453
Energy: 0.9798746091251036
Energy: 1.005267062154707
Energy: 1.2093907231127226
Energy: 0.8993041292296702
Energy: 0.9436932051494402
Energy: 1.0187820036815762
Energy: 0.9661521074440728
Energy: 0.9659260694233672
Energy: 1.0187465763636006
Energy: 0.9837517127692912
Energy: 1.0188453673565816
Energy: 1.0188420162335161
Energy: 0.9658979637957115
Energy: 0.9675130713502959
Energy: 1.0191940945093043
Energy: 1.0081399323019904
Energy: 1.0402981196278305
Energy: 1.2988802918515523
Energy: 0.9900830595207865
Energy: 0.9668107598647497
Energy: 1.0045479194015272
Energy: 0.95242402583657
Energy: 0.9864018257515804
Energy: 0.9521724046159638
Energy: 1.0030247406387072
Energy: 1.0393879263804287
Energy: 1.0021984947952316
Energy: 1.0132097829212512
Energy: 0.9886362189776605
Energy: 0.9524824463571089
Energy: 1.018103532199528
Energy: 1.037240372341466
Energy: 0.970901916352679
Energy: 1.0175862111492493
Energy: 0.9469252302367787
Energy: 1.437332340777157
Energy: 1.0187243440217975
Energy: 1.0183797196289928
Energy: 0.9685930760932531
Energy: 1.0192461702504536
Energy: 0.9672830038713827
Energy: 1.236287954424726
Energy: 1.0182201995846545
Energy: 1.0191397799219097
Energy: 0.975932820760705
Energy: 1.0178716956154354
Energy: 0.9643481370179553
Energy: 1.2334737430536489
Energy: 1.0183505017673926
Energy: 1.00171219694436
Energy: 1.0082177113593827
Energy: 1.0183475600965435
Energy: 1.0023127072162998
Energy: 1.0363232303495649
Energy: 0.9905842055999073
Energy: 0.9833992823796632
Energy: 1.0069227097581004
Energy: 0.9949912773373937
Energy: 0.9836072217953721
Energy: 0.9907324503536822
Energy: 0.983048278175686
Energy: 0.9646242831802885
Energy: 0.9921506200744251
Energy: 1.0022967786657806
Energy: 0.9847626224197391
Energy: 0.9900294799613149
Energy: 0.9793641786701174
Energy: 0.9744755216982707
Energy: 0.9900851864117277
Energy: 0.9814057434604488
Energy: 0.966077770132536
Energy: 0.989497413525832
Energy: 0.9651607861882948
Energy: 1.069033690616846
Energy: 0.9898424517374078
Energy: 0.9713373949823889
Energy: 0.9868009444893104
Energy: 1.028355859312946
Energy: 0.9796643388305476
Energy: 0.9901791753213902
Energy: 0.9904009766107947
Energy: 0.9800122879442342
Energy: 0.9617517354683528
Energy: 1.0267331227587158
Energy: 0.9573673572218716
Energy: 0.9577555878123242
Energy: 0.9792862492173917
Energy: 0.9815607877146987
Energy: 0.9551184914829449
Energy: 1.0296996752551304
Energy: 0.9806699560079747
Energy: 0.9844298751535588
Energy: 0.9669599276723044
Energy: 0.9794335159497397
Energy: 0.9645099661378848
Energy: 1.4538621121377215
Energy: 0.9902642465992274
Energy: 0.9715906431913696
Energy: 1.008186199429437
Energy: 0.9903716459827094
Energy: 0.9445922580839465

minimum gb energy = 0.8975299910660361 eV
minimum distance =  2.31009933253774 Angstroms
sigma value = 57


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

Energy: 0.4934039370647934
Energy: 0.5188979209157122
Energy: 0.4953275666393232
Energy: 0.49630620986406493
Energy: 0.5546336673340829
Energy: 0.49536890533736216
Energy: 0.4944953275370503
Energy: 0.5262305705204697
Energy: 0.5269861131762242
Energy: 0.5544140986557837
Energy: 0.519005243706637
Energy: 0.5379943948511432
Energy: 0.6181536080410767
Energy: 0.5614068191903546
Energy: 0.5248206368681606
Energy: 0.557553703183405
Energy: 0.5575745434971946
Energy: 0.5275806695266784
Energy: 0.6185313729905181
Energy: 0.5651616166149865
Energy: 0.5241951018714356
Energy: 0.5787068688087758
Energy: 0.5590305434487866
Energy: 0.5261493176431634
Energy: 0.6133008499338359
Energy: 0.5281655713224012
Energy: 0.49658271682564886
Energy: 0.5569972307954162
Energy: 0.4957437039055791
Energy: 0.5411226878687647
Energy: 0.5561875990936443
Energy: 0.4969848435064506
Energy: 0.49869383396504036
Energy: 0.518609830597577
Energy: 0.49476508253748885
Energy: 0.5273575475860781
Energy: 0.5490644316148588
Energy: 0.5234422233998776
Energy: 0.5276033625211615
Energy: 0.5530848467219905
Energy: 0.5190438710792403
Energy: 0.5404080238657463
Energy: 0.5563916000680396
Energy: 0.5232957198583446
Energy: 0.5240341297031261
Energy: 0.5571312417076177
Energy: 0.5241491752014099
Energy: 0.5261158108891117
Energy: 0.6119919105328999
Energy: 0.5420855807703231
Energy: 0.5424776510116972
Energy: 0.5560848359640242
Energy: 0.5617440496301895
Energy: 0.5253006375786367
Energy: 0.4938763710746083
Energy: 0.5415859911147259
Energy: 0.49667975570685285
Energy: 0.49434151947467825
Energy: 0.5578516231907639
Energy: 0.5273344417040642
Energy: 0.49395259584283374
Energy: 0.5225967922393371
Energy: 0.5405205842170618
Energy: 0.4945976086399879
Energy: 0.5206079875883552
Energy: 0.49703417474342687
Energy: 0.6149521563323668
Energy: 0.5641434254085324
Energy: 0.5389452989744804
Energy: 0.5192947194897221
Energy: 0.5561710781419237
Energy: 0.5382352860843543
Energy: 0.6186921418418827
Energy: 0.6140337213229972
Energy: 0.6156573602136327
Energy: 0.5187304308815391
Energy: 0.6196288284360467
Energy: 0.5863086176852188
Energy: 0.6135631575783944
Energy: 0.5683491495936668
Energy: 0.5407724582163956
Energy: 0.5234380652741726
Energy: 0.5565537904857926
Energy: 0.5397732389055481
Energy: 0.6181664810712628
Energy: 0.4953413882261533
Energy: 0.4959043421777791
Energy: 0.5571251934806072
Energy: 0.49983318686436606
Energy: 0.4954728604785597
Energy: 0.5532037792788668
Energy: 0.537890619308583
Energy: 0.5391792233687266
Energy: 0.5175028427097385
Energy: 0.496862109547372
Energy: 0.5504938263203608
Energy: 0.5550791267159215
Energy: 0.5095291500483531
Energy: 0.5485487685757018
Energy: 0.5561127202689278
Energy: 0.5634376700631755
Energy: 0.525831851036411
Energy: 0.6166702750878199
Energy: 0.523234438582445
Energy: 0.5417089078041603
Energy: 0.5824906270541227
Energy: 0.5238221104187489
Energy: 0.5257740237007739
Energy: 0.49400269754665294
Energy: 0.5226460780329969
Energy: 0.5256019553622742
Energy: 0.49487156966956775
Energy: 0.5207125484530213
Energy: 0.5417166004785804

minimum gb energy = 0.4934039370647934 eV
minimum distance =  2.35448030532286 Angstroms
sigma value = 11


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

Energy: 1.5231649751771028
Energy: 1.226730748404316
Energy: 0.8677924461028287
Energy: 1.1283922837192666
Energy: 2.058136847207153
Energy: 0.8693743116412554
Energy: 0.8675119737635679
Energy: 0.8551136829749046
Energy: 0.8464000322242953
Energy: 0.8428197143418645
Energy: 0.8602048844620581
Energy: 0.8491119243217529
Energy: 0.8377095247808011
Energy: 0.8457568023534247
Energy: 0.8488123145695778
Energy: 0.8408890492658756
Energy: 0.8444328201099657
Energy: 0.8379500503178937
Energy: 0.8392124892950888
Energy: 0.8583067797018171
Energy: 0.8622442937275304
Energy: 0.840655520015099
Energy: 0.8461978851405341
Energy: 0.8384983356124296
Energy: 0.838970976735199
Energy: 0.9356948804108358
Energy: 0.8959552042751365
Energy: 0.8556810454458456
Energy: 0.8521316717660504
Energy: 0.8479083872949467
Energy: 1.125013055313781
Energy: 0.9055479358045843
Energy: 0.9001504318446576
Energy: 0.8439416133846486
Energy: 0.8560934235748509
Energy: 0.8854847156974881
Energy: 1.0671250119710505
Energy: 0.8424193304220021
Energy: 0.8454941182509229
Energy: 0.8407257881152489
Energy: 0.8407347334882761
Energy: 0.8384643570227751
Energy: 0.8605342189614112
Energy: 0.9301055324380193
Energy: 0.931442960258792
Energy: 0.8748852974682473
Energy: 0.9274548876130343
Energy: 0.9288815413349011
Energy: 1.1240398024276606
Energy: 0.884893023629734
Energy: 0.9008197033446632
Energy: 0.8539041916271366
Energy: 0.8414969062530204
Energy: 0.8486003396644
Energy: 1.4037044183927398
Energy: 0.8828092263440281
Energy: 0.8861191981251888
Energy: 0.924356924972251
Energy: 0.8812037306129861
Energy: 0.8989438688016739
Energy: 1.4966667386700394
Energy: 0.8807089683483267
Energy: 0.8842272759040578
Energy: 0.9115318198681555
Energy: 0.8810418707805526
Energy: 0.8869415916412365
Energy: 1.2401701495280724
Energy: 0.8129994393730327
Energy: 0.837511077566246
Energy: 0.9380903141813968
Energy: 0.8161966350825114
Energy: 0.8589658874525186
Energy: 1.0523504579833571
Energy: 0.8136158498676078
Energy: 0.812677314369943
Energy: 0.9964020329113805
Energy: 0.8169850775614839
Energy: 0.861347465158184
Energy: 1.049657136032382
Energy: 0.9377604737278602
Energy: 0.9370323402936415
Energy: 0.8653586516391482
Energy: 0.9403693087343135
Energy: 0.9365804068668231
Energy: 1.0465362512681202
Energy: 1.0190274558786312
Energy: 1.0172582674444175
Energy: 0.9561913925815073
Energy: 1.0807525290386246
Energy: 0.8991902939667876
Energy: 1.496741732441327
Energy: 0.9396593366058515
Energy: 0.9373014861148283
Energy: 0.8946816940344787
Energy: 0.9441294177903823
Energy: 0.937574104031174
Energy: 1.272536002137452
Energy: 0.8970732713398452
Energy: 0.8563794501041574
Energy: 1.1157663445868995
Energy: 0.9160464785001151
Energy: 0.8610080316941919
Energy: 1.4842074424463894
Energy: 0.8945884928822883
Energy: 0.940881654539551
Energy: 0.9029715787157582
Energy: 0.89411185570366
Energy: 0.9379364186845902
Energy: 1.4017622972994128
Energy: 0.8557406008809394
Energy: 0.9064367346468064
Energy: 0.8475053431950116
Energy: 0.8552876503861551
Energy: 0.9015478144889558
Energy: 1.0938777841178504
Energy: 0.9429226640886819
Energy: 0.9489467040191438
Energy: 0.9240889709573822
Energy: 1.2566905303305926
Energy: 0.8644948971184178
Energy: 1.4337702741876752
Energy: 0.9417458246523306
Energy: 0.8896525621397328
Energy: 0.8958128269944952
Energy: 0.9407478882528508
Energy: 0.885847521782158
Energy: 1.3511314027186005
Energy: 0.8702729690808588
Energy: 0.8707933620496588
Energy: 1.3017979618018054
Energy: 0.8701951994300955
Energy: 0.9403635658468945
Energy: 0.9232507865346641
Energy: 0.882530675828257
Energy: 0.8969732171203326
Energy: 0.9239884758090713
Energy: 0.9012320389639938
Energy: 0.8848550563917285
Energy: 0.9254474129540464
Energy: 0.8464834750979602
Energy: 0.8384338603605828
Energy: 0.9268991939164466
Energy: 0.8411664418780535
Energy: 0.8459656841608887
Energy: 0.9560081384302568
Energy: 0.8426518202943021
Energy: 0.8375431343683205
Energy: 0.9268268560960439
Energy: 0.8415565082749604
Energy: 0.8475308400092028
Energy: 1.4982243243656495
Energy: 0.8439921812587362
Energy: 0.8475749127694251
Energy: 0.857397234603735
Energy: 0.8411953966747429
Energy: 0.8117246260408464

minimum gb energy = 0.8117246260408464 eV
minimum distance =  2.31130764987169 Angstroms
sigma value = 41


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

Energy: 1.6544327450685001
Energy: 0.9782036722018514
Energy: 0.9231236020200965
Energy: 1.2427741579634268
Energy: 0.9185572058942233
Energy: 1.2426865766611852
Energy: 0.9538348411457983
Energy: 0.9197952141950009
Energy: 0.9111823630640264
Energy: 0.9171681956192773
Energy: 0.9266296882084141
Energy: 0.9103827412056043
Energy: 0.9157562171364483
Energy: 0.9120412016203516
Energy: 0.9109886606588327
Energy: 0.9190877681909386
Energy: 0.9175702881138846
Energy: 0.9105908824276776
Energy: 0.9163152919371718
Energy: 0.9173421909457079
Energy: 0.9101322985037174
Energy: 0.9195157649486737
Energy: 0.911151272828776
Energy: 0.9133856137865323
Energy: 0.9164093073621975
Energy: 0.9111704858353746
Energy: 0.913997251846051
Energy: 0.9436202073451339
Energy: 0.942254874986693
Energy: 0.9188893288488177
Energy: 1.29558638806921
Energy: 0.9107608989806937
Energy: 0.9174180309798615
Energy: 0.9444544762424345
Energy: 0.9193398242136712
Energy: 0.9180062265913749
Energy: 1.2844437518646943
Energy: 0.9176040528398913
Energy: 0.9144459066051531
Energy: 0.9476322688597155
Energy: 0.9170910280583359
Energy: 0.9124074147237292
Energy: 0.9517384708744961
Energy: 1.0604807914185215
Energy: 0.9519018343863883
Energy: 0.875425597007733
Energy: 1.059979580545243
Energy: 0.8861151054726031
Energy: 1.2946069402524234
Energy: 0.9151991281534753
Energy: 0.9116795932344675
Energy: 0.9421654110462119
Energy: 0.920113659207135
Energy: 0.9115039148706178
Energy: 1.2841836406290488
Energy: 0.9182452537247374
Energy: 0.9099893780851435
Energy: 0.920516761419805
Energy: 0.9167626303084272
Energy: 0.9098285696854899
Energy: 1.2871171967495183
Energy: 0.917819186673689
Energy: 0.9094771046694384
Energy: 0.9208710217882548
Energy: 0.916876703190309
Energy: 0.9101858445773588
Energy: 1.48453613808143
Energy: 0.8748948345162924
Energy: 0.8754417036703189
Energy: 0.9440042050747341
Energy: 0.8748601777880222
Energy: 0.9233876419676931
Energy: 1.0199526188789305
Energy: 0.8749162440801983
Energy: 0.875332066782995
Energy: 0.9599786430899991
Energy: 0.8749400928441637
Energy: 0.8769828320976092
Energy: 1.0156442069875673
Energy: 0.9121455466995916
Energy: 0.9117591793619306
Energy: 1.0187133139022266
Energy: 0.9410207551325575
Energy: 0.911625564537299
Energy: 1.0604533383031702
Energy: 0.9336623799518475
Energy: 1.0618399666966865
Energy: 1.0611094005439183
Energy: 1.094663281328413
Energy: 1.0615714604129725
Energy: 0.9147328057554899
Energy: 0.9167730352293388
Energy: 0.9117484346289462
Energy: 0.9173777822487407
Energy: 0.9420269441673672
Energy: 0.9115975755911652
Energy: 1.6130247883654523
Energy: 0.9201407963087828
Energy: 0.8742042436672083
Energy: 0.9776228823876452
Energy: 0.9191190943145269
Energy: 1.0657387476751856
Energy: 0.9538833164787883
Energy: 0.9192169506619293
Energy: 0.9201649763069794
Energy: 0.8748675981954207
Energy: 0.9187034522241764
Energy: 0.8760650800721098
Energy: 0.9154179619310399
Energy: 0.9172314284570601
Energy: 0.917349954293979
Energy: 0.9182445930548286
Energy: 0.9183240721004815
Energy: 0.9112338339329829
Energy: 0.9155968678120836
Energy: 0.9110326955482492
Energy: 0.9098740866004432
Energy: 0.9180210186306831
Energy: 0.917394149843831
Energy: 0.9113832103199992
Energy: 0.9151520605382016
Energy: 0.9134632952853063
Energy: 0.9108140115431709
Energy: 0.9431179940782102
Energy: 0.9144142943539089
Energy: 0.9107446133192463
Energy: 1.4464099672701893
Energy: 1.1018609963095716
Energy: 1.1341120280598
Energy: 1.1463292602382011
Energy: 1.1015970875953547
Energy: 1.134486579202825
Energy: 1.2950438904848796
Energy: 0.9149574527173175
Energy: 0.9123968358920175
Energy: 0.943174799278206
Energy: 0.9195359537820119
Energy: 0.9110611638561928
Energy: 0.9513897184608623
Energy: 1.1124795626730404
Energy: 0.9310171142735898
Energy: 0.87688179979879
Energy: 1.0661427732755155
Energy: 0.8819306652485983
Energy: 1.2844974820651804
Energy: 0.9174369569824824
Energy: 0.9225391072570774
Energy: 0.9425478741632314
Energy: 0.9177756820472732
Energy: 0.9159342921356888
Energy: 1.2847130145742216
Energy: 0.9175517254416425
Energy: 0.9095760441131736
Energy: 0.9231098751136987
Energy: 0.9169387233475353
Energy: 0.9095070388410184
Energy: 1.2839783732753516
Energy: 0.9175939983595647
Energy: 0.9106053918726138
Energy: 0.9194588647554222
Energy: 0.9327981335225355
Energy: 0.911427340900781
Energy: 1.294741740495565
Energy: 0.9380200045985928
Energy: 0.909914605734764
Energy: 0.9422883089289129
Energy: 0.9091668782254376
Energy: 0.9110889680412979
Energy: 1.0187979843008705
Energy: 0.9762992335117183
Energy: 0.9785023912310924
Energy: 1.024758946499527
Energy: 0.9665554687944906
Energy: 0.978414114630714
Energy: 1.0154766082040818
Energy: 0.9115742253583083
Energy: 0.9127693694556633
Energy: 1.0179901150537034
Energy: 0.9201693721184258
Energy: 0.9124897290966881
Energy: 1.0202611404642674
Energy: 0.9097001779198953
Energy: 0.9178949612725127
Energy: 1.0191029959870423
Energy: 0.9176303924629964
Energy: 0.9174630920422526
Energy: 0.9146779257377757
Energy: 0.9151423751865551
Energy: 0.9160450692026957
Energy: 0.9428984488595964
Energy: 0.9174171352598066
Energy: 0.9135640542515275
Energy: 1.616195226014298
Energy: 0.91955596046435
Energy: 0.8744168485988388
Energy: 0.8811716377510684
Energy: 0.9191157645286397
Energy: 0.9342765189534797

minimum gb energy = 0.8742042436672083 eV
minimum distance =  2.31707741205477 Angstroms
sigma value = 33


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

Energy: 1.3054209801897734
Energy: 1.1241280578765946
Energy: 1.0159581606603754
Energy: 0.9667426561710357
Energy: 1.0480751892273337
Energy: 1.0687317998028083
Energy: 1.4182660024000011
Energy: 0.9909092649313255
Energy: 0.9912453858446102
Energy: 0.9692194769244019
Energy: 0.9912350216899778
Energy: 1.0140579872450237
Energy: 1.078589456156275
Energy: 1.0596946336362782
Energy: 0.9909672940678467
Energy: 1.0650619322193153
Energy: 0.9927694000357891
Energy: 1.070406121238046
Energy: 1.0808478451420744
Energy: 0.9897601618933878
Energy: 0.9910232527443644
Energy: 1.099720591610569
Energy: 0.9905538615886316
Energy: 1.0495899523349355
Energy: 1.0793302941429566
Energy: 1.0202440488866615
Energy: 1.0757708797505436
Energy: 1.1292231102922345
Energy: 1.040234721124561
Energy: 0.9656644997228914
Energy: 1.1362926377324354
Energy: 1.0009959462705114
Energy: 1.0004547657829193
Energy: 1.157493699783986
Energy: 1.023260618985267
Energy: 1.0159401547915652
Energy: 1.1351321359997666
Energy: 1.092610275453695
Energy: 1.0718907821984907
Energy: 1.110533036361135
Energy: 1.083891604339215
Energy: 1.0686235678802993
Energy: 1.1106522155681136
Energy: 1.1100334003574701
Energy: 1.0177395421863478
Energy: 0.9901602637450991
Energy: 1.0803857195270494
Energy: 1.01660819763367
Energy: 1.1478286521770473
Energy: 1.0698889612436508
Energy: 1.0595292098780318
Energy: 1.0607632670905418
Energy: 1.0468292670037225
Energy: 1.05561984229802
Energy: 1.562869224466841
Energy: 1.0482268472807852
Energy: 1.0455407083257484
Energy: 1.067043747200762
Energy: 1.0489390358654351
Energy: 1.0467077092151098
Energy: 1.562451523626615
Energy: 1.0432435193763312
Energy: 1.0609853180493587
Energy: 1.0599784646195256
Energy: 1.0419118169406736
Energy: 1.05732098831064
Energy: 1.1470549387218114
Energy: 0.9421108203345394
Energy: 0.94213771682847
Energy: 1.0610904533107355
Energy: 0.9492567346663697
Energy: 0.9424714587145051
Energy: 1.0986548198945336
Energy: 0.9423611407557717
Energy: 0.9420622981656805
Energy: 1.0635404687668024
Energy: 0.9524080264239634
Energy: 0.9427273197193639
Energy: 1.0945473673211379
Energy: 1.0604213857172078
Energy: 1.059689800944122
Energy: 1.0608340990307232
Energy: 1.0610658938969075
Energy: 1.0571859853051844
Energy: 1.0075728213157302
Energy: 1.0690607105147836
Energy: 1.069040590549678
Energy: 1.0704052985958867
Energy: 1.068829029846058
Energy: 1.080178513779153
Energy: 1.0968554712156633
Energy: 1.0706459241948687
Energy: 1.0723159425771591
Energy: 1.0530645636381384
Energy: 1.1013599200366482
Energy: 1.0503784045254367
Energy: 1.526699445679668
Energy: 1.1044748237884678
Energy: 0.9942324054727366
Energy: 1.023852181186896
Energy: 1.107789862817476
Energy: 0.9948494651236391
Energy: 1.5330337840309665
Energy: 1.0568070587352332
Energy: 1.056214914595644
Energy: 1.0535038470374007
Energy: 1.1405859658226145
Energy: 1.052452326737556
Energy: 1.165887580897109
Energy: 1.0111896076150277
Energy: 0.9895926353076154
Energy: 1.098019585412171
Energy: 0.9934802031336935
Energy: 1.0698490294999405
Energy: 1.04819135033431
Energy: 1.0056841050648095
Energy: 0.989581237091187
Energy: 1.0467170183486327
Energy: 0.9929749074881182
Energy: 1.0778828528622277
Energy: 1.0465998641692535
Energy: 1.0561096470024818
Energy: 1.0510129404277797
Energy: 1.047726549401097
Energy: 1.059237477116943
Energy: 1.0507637576182942
Energy: 1.0787191319077174
Energy: 1.0522172536452776
Energy: 1.0524588870427434
Energy: 1.1113580689134137
Energy: 1.0510369752830508
Energy: 1.051608988300115
Energy: 1.5197905072349494
Energy: 1.0515577412796053
Energy: 1.0512089298430298
Energy: 1.0384188875815314
Energy: 1.05837679647356
Energy: 1.0426836810362448
Energy: 1.0525814534407558
Energy: 1.133065760029136
Energy: 0.9452332599452811
Energy: 0.942914855370541
Energy: 1.1331257208438337
Energy: 0.9467590313524429
Energy: 1.8797527526791147
Energy: 1.0557712970312225
Energy: 1.051587693145779
Energy: 0.9480010048492642
Energy: 1.0608214951196744
Energy: 1.0522034345788767
Energy: 1.1044042776805088
Energy: 1.0705093476411838
Energy: 1.060059046078327
Energy: 1.0713928152370804
Energy: 1.0756130389499228
Energy: 1.0618974019652558
Energy: 1.0996343783864517
Energy: 1.0706120113470048
Energy: 1.072113834527301
Energy: 1.0709785439777058
Energy: 1.0650382299348429
Energy: 1.0708748553651468
Energy: 1.1019963914725377
Energy: 1.0817264281924632
Energy: 1.086077041356525
Energy: 1.1086647832181238
Energy: 1.0234364139569496
Energy: 1.0852087137245636
Energy: 1.321642103967907
Energy: 1.000018553840021
Energy: 0.9997852810304801
Energy: 1.1963830240511935
Energy: 0.9954996125435477
Energy: 0.9996120151331959
Energy: 1.2446855169362685
Energy: 1.0782842588257031
Energy: 1.0818573232282616
Energy: 1.1278071785636266
Energy: 1.0762275808825523
Energy: 1.0888535984115673
Energy: 1.1109589868956191
Energy: 1.1948428246318934
Energy: 1.0037943407610654
Energy: 0.9902074939486893
Energy: 1.2873742227366478
Energy: 1.00392316755991
Energy: 1.2418369656967259
Energy: 1.0514541878976689
Energy: 1.0500276369411865
Energy: 1.0796118234648304
Energy: 1.0516899149818835
Energy: 1.049211324679833
Energy: 1.563039518160605
Energy: 1.0480779849099058
Energy: 1.0466683024802417
Energy: 1.075073493264945
Energy: 1.049002710695871
Energy: 1.0722735817399798
Energy: 1.5629296075994064
Energy: 1.043773826991249
Energy: 1.06109527523218
Energy: 1.0751012457887392
Energy: 1.0566532225533842
Energy: 1.0581669827510571
Energy: 1.1513435166112624
Energy: 0.9423728198068884
Energy: 0.9425287638465557
Energy: 1.0617313952884502
Energy: 0.9485047899466771
Energy: 1.036969912529832
Energy: 1.0988037414811582
Energy: 0.9425162135466806
Energy: 0.9447892456426863
Energy: 1.0605866526773315
Energy: 0.9432003421103284
Energy: 0.9451747707585241
Energy: 1.0938828924236819
Energy: 1.0780258728160395
Energy: 1.0504534871037947
Energy: 1.078426134156881
Energy: 1.0819430579099156
Energy: 1.0494035943290119
Energy: 1.0188445818873204
Energy: 1.0713343247169242
Energy: 1.0714247028223598
Energy: 1.021749366711229
Energy: 1.067517648322131
Energy: 1.0837651951098983
Energy: 1.0950099362687318
Energy: 1.0889650084504339
Energy: 1.0674180259825121
Energy: 1.0595893059245014
Energy: 1.1002425515859215
Energy: 1.0559797858850895
Energy: 1.5269189904282763
Energy: 1.1332479684653802
Energy: 1.0527814768869257
Energy: 1.0209193750660153
Energy: 1.100009784931359
Energy: 0.9950940438909851
Energy: 1.5270076361284615
Energy: 1.0546525426549591
Energy: 1.0438532621419363
Energy: 1.021989718500993
Energy: 1.0722795009281716
Energy: 1.0558275302668108
Energy: 1.0824164204990143
Energy: 0.9913372236105853
Energy: 0.9896652509357121
Energy: 1.0928043525383802
Energy: 0.9941907474387615
Energy: 1.066982791577534
Energy: 1.0288471898123583
Energy: 0.9916570515252001
Energy: 0.9906107083777662
Energy: 1.0022641150767302
Energy: 0.9913464912203785
Energy: 0.9911959420982752
Energy: 1.0246438312492665
Energy: 1.024037154042495
Energy: 0.9723123113295017
Energy: 1.0429511601624024
Energy: 0.9657711535563875
Energy: 0.9714055365040525
Energy: 1.052635391190589
Energy: 1.045004741945712
Energy: 1.1008386269395947
Energy: 1.070164816805433
Energy: 0.9655083269988683
Energy: 1.086327179129323
Energy: 1.0788914747230782
Energy: 0.9881252482573091
Energy: 0.9896202237947428
Energy: 0.9688441690834902
Energy: 0.9934536054448416
Energy: 0.991358112513358
Energy: 1.820200698164617
Energy: 0.9945617813934006
Energy: 0.945246589025163
Energy: 0.9548507527413714
Energy: 0.996856161382075
Energy: 0.9894273796245948

minimum gb energy = 0.9420622981656805 eV
minimum distance =  2.25297886675015 Angstroms
sigma value = 67


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

Energy: 1.4632176528796117
Energy: 1.0271028047810618
Energy: 1.0265500288945895
Energy: 1.0375089055593316
Energy: 1.0853844410940656
Energy: 1.0255350507357175
Energy: 1.1497690645016112
Energy: 1.0364210426465648
Energy: 1.0350647583691006
Energy: 1.0355318181302815
Energy: 1.0373661823779887
Energy: 1.0353388206229053
Energy: 1.0828224892673635
Energy: 0.9965665095270575
Energy: 1.037835059294852
Energy: 1.0372163265097374
Energy: 0.9956628666537258
Energy: 1.037931468176438
Energy: 1.082490870121427
Energy: 1.0341793727643607
Energy: 1.0342042975428205
Energy: 1.036400895052961
Energy: 1.0344595257515947
Energy: 1.0329672926273734
Energy: 1.07388479715722
Energy: 1.0374841159263546
Energy: 1.0383854679291555
Energy: 1.0747968084607773
Energy: 1.0375371382187455
Energy: 1.0397623910070126
Energy: 1.0766792007362413
Energy: 1.0396378095820582
Energy: 1.0408773649956393
Energy: 1.077754289680494
Energy: 1.0391852814596678
Energy: 1.0412946179754825
Energy: 1.1496347442372112
Energy: 1.0376791275244626
Energy: 1.0367779987646306
Energy: 0.9949123813522454
Energy: 1.0368342742995686
Energy: 1.0362630925015057

minimum gb energy = 0.9949123813522454 eV
minimum distance =  2.34627916566282 Angstroms
sigma value = 3


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

Energy: 1.587519664365791
Energy: 1.2980946531859567
Energy: 1.2242770733330248
Energy: 1.2032673289991773
Energy: 1.78278241500624
Energy: 1.2185485447455697
Energy: 1.158572250463446
Energy: 1.1689505488208987
Energy: 1.1655650721190334
Energy: 1.182392819694719
Energy: 1.1850241053939463
Energy: 1.1711541345476095
Energy: 1.2315725984462351
Energy: 1.1579915873246904
Energy: 1.1580445147184455
Energy: 1.2290898211353185
Energy: 1.1580873416209425
Energy: 1.1712573143226315
Energy: 1.174476500104431
Energy: 1.163340251612586
Energy: 1.163454236069572
Energy: 1.175809778252189
Energy: 1.153589080290018
Energy: 1.1672115142076191
Energy: 1.151720859478547
Energy: 1.1594828743698153
Energy: 1.1611176542441024
Energy: 1.153513668755826
Energy: 1.1623187602951115
Energy: 1.162391000158925
Energy: 1.1426397153289307
Energy: 1.1618496616252223
Energy: 1.1623415843979763
Energy: 1.1545455845713057
Energy: 1.1615446392825561
Energy: 1.1606412104929011
Energy: 1.1443216782826138
Energy: 1.182558322344993
Energy: 1.187761825867405
Energy: 1.156932597715309
Energy: 1.1960592561483592
Energy: 1.1802377539753577
Energy: 1.379425157326032
Energy: 1.267828912308782
Energy: 1.2026239428977903
Energy: 1.1791959862746235
Energy: 1.1904518656692693
Energy: 1.2388632153656487
Energy: 1.2675665519432748
Energy: 1.2042836081564732
Energy: 1.184592001124053
Energy: 1.2292121640078777
Energy: 1.1966827662935493
Energy: 1.1819574417082421
Energy: 1.2191624206334122
Energy: 1.178093216959436
Energy: 1.180450438071754
Energy: 1.3253567172008818
Energy: 1.1793530814125937
Energy: 1.1552484048632636
Energy: 1.229991904398062
Energy: 1.1814493467534108
Energy: 1.177613830497405
Energy: 1.2203905663307026
Energy: 1.176337322071093
Energy: 1.1797263917015952
Energy: 1.2252581176026645
Energy: 1.1738848609683006
Energy: 1.1783295437203611
Energy: 1.1668802739326092
Energy: 1.1499691319498975
Energy: 1.1633333094268024
Energy: 1.1992021287434917
Energy: 1.1622423330950722
Energy: 1.162955247808493
Energy: 1.1600338066893583
Energy: 1.1433744082790984
Energy: 1.1624000934544505
Energy: 1.3612124060454451
Energy: 1.1728482044171187
Energy: 1.174246456473198
Energy: 1.1754888108110628
Energy: 1.1763302405777594
Energy: 1.1686097422374997
Energy: 1.2472702915665401
Energy: 1.1738343057652758
Energy: 1.2334438638119365
Energy: 1.1454413736418168
Energy: 1.175605673233287
Energy: 1.1742480913811069
Energy: 1.3278992900983253
Energy: 1.1822161684171606
Energy: 1.1652975554105567
Energy: 1.1960220983567267
Energy: 1.199017174121757
Energy: 1.1650740516659017
Energy: 1.3261946862032232
Energy: 1.171769461213372
Energy: 1.1779895970400844
Energy: 1.327381975539506
Energy: 1.1590253485551933
Energy: 1.1399887126390755
Energy: 1.3700214971942777
Energy: 1.1786749143491067
Energy: 1.209869354020813
Energy: 1.210712634855613
Energy: 1.1755550585973502
Energy: 1.2098405748420569
Energy: 1.4364975290147775
Energy: 1.2123724651710903
Energy: 1.2055396912435228
Energy: 1.1669954358549026
Energy: 1.2378030328498684
Energy: 1.1665539099257283
Energy: 1.303885544462824
Energy: 1.1967104193957219
Energy: 1.1968845932544745
Energy: 1.1672860370749647
Energy: 1.1984614386890948
Energy: 1.1818729926130174
Energy: 1.168170091564204
Energy: 1.1691552539769798
Energy: 1.1778251981426597
Energy: 1.1713460960493003
Energy: 1.16941584733916
Energy: 1.177484828588558
Energy: 1.168448564051257
Energy: 1.1721669378680857
Energy: 1.1681194689485
Energy: 1.173690504948683
Energy: 1.1808079845344155
Energy: 1.168785333152152
Energy: 1.1706762382812648
Energy: 1.1766059137692175
Energy: 1.1725864332371427
Energy: 1.171811275884156
Energy: 1.1711679258029886
Energy: 1.168615555853929
Energy: 1.171053351021858
Energy: 1.1789370439318587
Energy: 1.1781748346803158
Energy: 1.1714290128529434
Energy: 1.1790660265025077
Energy: 1.174293697748431
Energy: 1.1528449913415442
Energy: 1.156334010006981
Energy: 1.1463580337336348
Energy: 1.1543080469747582
Energy: 1.156309345486069
Energy: 1.146260469180404
Energy: 1.412307134503802
Energy: 1.159858547393248
Energy: 1.160116372367956
Energy: 1.146356223596809
Energy: 1.1596908166086877
Energy: 1.163789883563792
Energy: 1.5840418264344183
Energy: 1.1812600111635574
Energy: 1.1594459208779035
Energy: 1.1460770546667427
Energy: 1.1611295888891724
Energy: 1.1700906815337708
Energy: 1.155240568734673
Energy: 1.1569015618071754
Energy: 1.1463762931323034
Energy: 1.1458882858684494
Energy: 1.156208927234367
Energy: 1.1465651975050344
Energy: 1.1567240447323888
Energy: 1.15827714764164
Energy: 1.1575585391050611
Energy: 1.1566338318587694
Energy: 1.158604231747212
Energy: 1.1585499561761843
Energy: 1.1544277460483334
Energy: 1.1640806396467038
Energy: 1.1635440190653294
Energy: 1.1568104446923322
Energy: 1.1658009559394367
Energy: 1.1605728312179755
Energy: 1.1555606678211168
Energy: 1.1639352340151248
Energy: 1.164028616817522
Energy: 1.165795485176495
Energy: 1.1664741233788738
Energy: 1.1636986695631903
Energy: 1.1626500077970199
Energy: 1.1757516290352983
Energy: 1.1729256709100653
Energy: 1.1724657513280325
Energy: 1.1728680566195036
Energy: 1.1814815387237694
Energy: 1.3776240416293992
Energy: 1.1842596796926412
Energy: 1.2012322139376133
Energy: 1.1784335605899117
Energy: 1.2545299061183364
Energy: 1.1821214263581101
Energy: 1.5425486450487829
Energy: 1.2486310384999466
Energy: 1.1882721503389047
Energy: 1.1535986030456464
Energy: 1.2392043600626579
Energy: 1.186187356136379
Energy: 1.252421171624795
Energy: 1.1637657689417094
Energy: 1.1460097787296508
Energy: 1.1654183023616234
Energy: 1.1875675854739176
Energy: 1.2056067320424197
Energy: 1.2289455508941238
Energy: 1.1777662472808146
Energy: 1.18040029165856
Energy: 1.2308989125887622
Energy: 1.179099880684824
Energy: 1.1563528062639687
Energy: 1.2274740302882585
Energy: 1.1705466442913182
Energy: 1.1735417377463766
Energy: 1.198727027617492
Energy: 1.1777360381967563
Energy: 1.1784716498096695
Energy: 1.199956821584003
Energy: 1.1622685339946695
Energy: 1.1504228021649632
Energy: 1.136691586590887
Energy: 1.1656417674539254
Energy: 1.2013791342599949
Energy: 1.2271117934327171
Energy: 1.1464911346186664
Energy: 1.146600105614579
Energy: 1.1551907892082864
Energy: 1.1520714833179224
Energy: 1.1736166247532094
Energy: 1.246235061579042
Energy: 1.1716762672869172
Energy: 1.172023389716048
Energy: 1.1445727325650557
Energy: 1.1721634734758746
Energy: 1.1720480043492043
Energy: 1.3224714103207387
Energy: 1.1723243694219052
Energy: 1.1642784328248506
Energy: 1.185233508578157
Energy: 1.177315122057765
Energy: 1.1648953654871381
Energy: 1.3340988952821706
Energy: 1.1361208042226356
Energy: 1.1979805432583377
Energy: 1.201946623374451
Energy: 1.1538295986883798
Energy: 1.2084024669613131
Energy: 1.3886165103457064
Energy: 1.1759297656472705
Energy: 1.170421654699771
Energy: 1.3347301833497913
Energy: 1.1556179126892396
Energy: 1.1548083572703465
Energy: 1.389304105197203
Energy: 1.1901242739356679
Energy: 1.1645797093037085
Energy: 1.2016588975155884
Energy: 1.19141235879107
Energy: 1.1648153990146117
Energy: 1.685391389226782
Energy: 1.1902976330415938
Energy: 1.2304981114131088
Energy: 1.1902619814865252
Energy: 1.1908301800779064
Energy: 1.1776968167611674
Energy: 1.1595821957792742
Energy: 1.1599651431094016
Energy: 1.161876764406167
Energy: 1.166039722926229
Energy: 1.1596288696287287
Energy: 1.163513779476469
Energy: 1.1560292644664674
Energy: 1.1700545307997496
Energy: 1.1679026663161007
Energy: 1.1734460239414946
Energy: 1.171632926330514
Energy: 1.1669362284773923
Energy: 1.1700134938491886
Energy: 1.1734737399377624
Energy: 1.1719683898894464
Energy: 1.1627873749537738
Energy: 1.1666971393444305
Energy: 1.1737302560192857
Energy: 1.1855994106953502
Energy: 1.1659024938404077
Energy: 1.1676479427619346
Energy: 1.1870667559439836
Energy: 1.1660273730999489
Energy: 1.183920931181722
Energy: 1.1752760768135821
Energy: 1.1673704771171451
Energy: 1.1769161932526797
Energy: 1.172684157065701
Energy: 1.1674780715125928
Energy: 1.168140464328556
Energy: 1.1597459876496252
Energy: 1.206003217941679
Energy: 1.1604958928986033
Energy: 1.189221779975343
Energy: 1.2905822392019668
Energy: 1.17815409744763

minimum gb energy = 1.1361208042226356 eV
minimum distance =  2.28733369462716 Angstroms
sigma value = 81


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

Energy: 2.045042413134883
Energy: 1.182871962638866
Energy: 1.1829492988991583
Energy: 1.1832029647325997
Energy: 1.1566114052958316
Energy: 1.1829561687049537
Energy: 1.21587342701405
Energy: 1.1550530581250869
Energy: 1.155471718930739
Energy: 1.1679579333147312
Energy: 1.117338938477483
Energy: 1.1557664043906835
Energy: 1.2354867263792704
Energy: 1.1271473248684025
Energy: 1.126260429067516
Energy: 1.2216479440332502
Energy: 1.1285440933218307
Energy: 1.1710326874361372
Energy: 1.139337752124868
Energy: 1.1270744744759256
Energy: 1.170901644729174
Energy: 1.13927244597365
Energy: 1.1254226411113109
Energy: 1.170030758433785
Energy: 1.1717782122237264
Energy: 1.1519720377083817
Energy: 1.1522572819736294
Energy: 1.179484991329193
Energy: 1.1521156512402435
Energy: 1.1507905568119556
Energy: 1.1424347633093048
Energy: 1.1511718249857732
Energy: 1.1525058719725279
Energy: 1.1555156176171002
Energy: 1.1538754032360656
Energy: 1.184829915009064
Energy: 1.1229613141548436
Energy: 1.2016123470121036
Energy: 1.15481865412684
Energy: 1.112120741886463
Energy: 1.2027117269159004
Energy: 1.1541996273740427
Energy: 1.306042615415082
Energy: 1.2049461168496756
Energy: 1.2134835059148956
Energy: 1.1206034906908455
Energy: 1.274547100048744
Energy: 1.189021204189196
Energy: 1.1576975711135622
Energy: 1.155228103137992
Energy: 1.155126631988088
Energy: 1.1236972904727227
Energy: 1.2100242392304341
Energy: 1.1315593225874194
Energy: 1.2254381980741733
Energy: 1.0850606152596296
Energy: 1.0834740194787247
Energy: 1.2263747730739314
Energy: 1.0854412221926544
Energy: 1.145656532496157
Energy: 1.1596795331010676
Energy: 1.0819729574537926
Energy: 1.0840596890296137
Energy: 1.153466110757286
Energy: 1.0797159208388993
Energy: 1.15717759592308
Energy: 1.133177778102952
Energy: 1.15147639281705
Energy: 1.151647488391548
Energy: 1.1268889265239435
Energy: 1.1554594012904675
Energy: 1.157507028466124
Energy: 1.1340170884216032
Energy: 1.1726588337267116
Energy: 1.1540804431845384
Energy: 1.128640599241317
Energy: 1.1758928673381284
Energy: 1.1270581511908089
Energy: 1.1615001156575409
Energy: 1.1867453005726694
Energy: 1.1546446431083628
Energy: 1.156622927715933
Energy: 1.188340469274385
Energy: 1.1479536594707065
Energy: 1.2970635724295265
Energy: 1.154094043606434
Energy: 1.182614272875394
Energy: 1.1505206507432375
Energy: 1.1849481402741098
Energy: 1.1838219244989139
Energy: 1.2959162988789326
Energy: 1.1482318110374001
Energy: 1.1546003617298128
Energy: 1.203337374175085
Energy: 1.1551051828148622
Energy: 1.1547796295977848
Energy: 1.296472431874036
Energy: 1.1498146438089951
Energy: 1.1536816809529238
Energy: 1.2963488062522663
Energy: 1.1558821291265138
Energy: 1.1883888132321385
Energy: 1.3073453251660438
Energy: 1.1631292331065413
Energy: 1.1600032096451185
Energy: 1.2108785611410915
Energy: 1.1124458724433122
Energy: 1.1551426466694241
Energy: 1.342102447828835
Energy: 1.1459930557094848
Energy: 1.1436154920610404
Energy: 1.0784524799291442
Energy: 1.1442648836880247
Energy: 1.083917813883194
Energy: 1.3424018951568693
Energy: 1.145955051734617
Energy: 1.1143571905298175
Energy: 1.0792620284654209
Energy: 1.172895756923699
Energy: 1.0845942935138018
Energy: 1.1315989511412003
Energy: 1.1131203545347643
Energy: 1.141403791439891
Energy: 1.1198773816784648
Energy: 1.1125149029764136
Energy: 1.1429328866932837
Energy: 1.1558952669843034
Energy: 1.1291460813142362
Energy: 1.1293200788570066
Energy: 1.1739556724182534
Energy: 1.1262122004394328
Energy: 1.1425272483359867
Energy: 1.1536727353935277
Energy: 1.1535932516322307
Energy: 1.156162965986875
Energy: 1.1569242630679428
Energy: 1.145984457191503
Energy: 1.1588563503893783
Energy: 1.187592644174446
Energy: 1.1847656037971963
Energy: 1.1841127109240115
Energy: 1.182800575168877
Energy: 1.1530874645922666
Energy: 1.183434502120791
Energy: 1.1870759410669736
Energy: 1.1541327146786855
Energy: 1.1543506611595156
Energy: 1.1539257080931957
Energy: 1.2024898819479015
Energy: 1.1494268045993026
Energy: 1.3051877368263494
Energy: 1.2076754753507146
Energy: 1.2122162947719042
Energy: 1.1505491742739196
Energy: 1.2357123281871636
Energy: 1.2140900091632603
Energy: 1.3050872402210514
Energy: 1.210760855516911
Energy: 1.212663340900194
Energy: 1.1306907312425594
Energy: 1.2209657586174611
Energy: 1.2135115697161714
Energy: 1.1544873630042345
Energy: 1.0806996619389768
Energy: 1.1262126627710165
Energy: 1.1097690081270557
Energy: 1.0980642702114203
Energy: 1.1279294229519294
Energy: 1.1290598584314402
Energy: 1.0842945233978631
Energy: 1.0796078533559954
Energy: 1.1704066057358835
Energy: 1.0838101412686438
Energy: 1.1139142271217903
Energy: 1.1266263258596794
Energy: 1.1533514972897034
Energy: 1.1755570909373527
Energy: 1.1096301651398237
Energy: 1.1464864542646012
Energy: 1.1410362546439294
Energy: 1.133963293721097
Energy: 1.1683146509956641
Energy: 1.1519804490137031
Energy: 1.1268760668175506
Energy: 1.1732508284941892
Energy: 1.1289662738268271
Energy: 1.1271999851982837
Energy: 1.1451713500146445
Energy: 1.1553546279787033
Energy: 1.1106310425216583
Energy: 1.1442871805110981
Energy: 1.1527495645986203
Energy: 1.27870725740861
Energy: 1.1798813912496795
Energy: 1.1865415340198768
Energy: 1.1596295205225604
Energy: 1.1801887957941535
Energy: 1.1869372389456052
Energy: 1.2778936964982885
Energy: 1.1550561171858298
Energy: 1.1546371663662922
Energy: 1.1556633943550432
Energy: 1.1886222347519118
Energy: 1.156358425076227
Energy: 1.2804981872482681
Energy: 1.1346420952217235
Energy: 1.1351299613736867
Energy: 1.218129516085519
Energy: 1.098626433473622
Energy: 1.231406225024913
Energy: 1.265953634740941
Energy: 1.1532804896090076
Energy: 1.1529327783454284
Energy: 1.2659993264559564
Energy: 1.153281054942908
Energy: 1.2371837532563943
Energy: 1.3437382281184642
Energy: 1.1874712491977228
Energy: 1.155901902795862
Energy: 1.2488728759173526
Energy: 1.1149573590389439
Energy: 1.1565081613719481
Energy: 1.3946331150525422
Energy: 1.1882890601782083
Energy: 1.1832483735435468
Energy: 1.161240106446971
Energy: 1.2045554921303199
Energy: 1.1708056586782325

minimum gb energy = 1.0784524799291442 eV
minimum distance =  2.259524077493 Angstroms
sigma value = 43


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

Energy: 1.995680199231791
Energy: 1.2995760551916296
Energy: 1.2232632064427194
Energy: 1.1694215699730535
Energy: 1.349940645493575
Energy: 1.1692029487183917
Energy: 1.1392116834645625
Energy: 1.14959955514985
Energy: 1.1531956364592295
Energy: 1.144484911935824
Energy: 1.137994439985815
Energy: 1.1534018516678908
Energy: 1.1441619806231993
Energy: 1.1390238600286475
Energy: 1.1389167204768271
Energy: 1.256890757983678
Energy: 1.1391596498546983
Energy: 1.1680736167505243
Energy: 1.1423102949247599
Energy: 1.1388003190222418
Energy: 1.1436085602741288
Energy: 1.1423038444307723
Energy: 1.1390340810762336
Energy: 1.142386159771915
Energy: 1.1251349759438973
Energy: 1.1405930546454035
Energy: 1.1399212191836012
Energy: 1.1330942291082027
Energy: 1.1406469960933114
Energy: 1.139391141624295
Energy: 1.1244909493801347
Energy: 1.1404725732863106
Energy: 1.1407502368990885
Energy: 1.140458897850157
Energy: 1.1405634659273465
Energy: 1.1409338633412538
Energy: 1.1174504186032235
Energy: 1.1250726988814466
Energy: 1.1328726109391167
Energy: 1.131734244099292
Energy: 1.126051769037717
Energy: 1.140110612170276
Energy: 1.1637414460122173
Energy: 1.1451646999457539
Energy: 1.14538878375425
Energy: 1.1219897345561602
Energy: 1.1453724798141955
Energy: 1.1445517448458957
Energy: 1.1174895008071575
Energy: 1.144020356569485
Energy: 1.144057595667684
Energy: 1.1369030176936363
Energy: 1.1433373913422633
Energy: 1.1445793801692754
Energy: 1.3468996777894011
Energy: 1.1411918336051647
Energy: 1.1783736393778532
Energy: 1.2477226495456408
Energy: 1.1408613853724707
Energy: 1.178766302456701
Energy: 1.1101073687399783
Energy: 1.1825964125885438
Energy: 1.161842517250767
Energy: 1.1371056058982056
Energy: 1.1976382051748513
Energy: 1.1534358995147695
Energy: 1.251531566646829
Energy: 1.144064427066337
Energy: 1.1675770271415913
Energy: 1.1392997559939753
Energy: 1.1436489595957144
Energy: 1.1701147411927406
Energy: 1.335744781464605
Energy: 1.1427913328396808
Energy: 1.1430784045453186
Energy: 1.1388031946294446
Energy: 1.1888056533765878
Energy: 1.1442631463724036
Energy: 1.1102046615339562
Energy: 1.1510448850674846
Energy: 1.151435927480054
Energy: 1.1477065585308144
Energy: 1.1261327847152809
Energy: 1.151658290324678
Energy: 1.1093018247080064
Energy: 1.1318774235867968
Energy: 1.152500833293661
Energy: 1.153896115966104
Energy: 1.130256889730412
Energy: 1.1331362646917902
Energy: 1.1053336925271602
Energy: 1.1402912241694014
Energy: 1.1210330206384584
Energy: 1.1048228086518792
Energy: 1.1390185414647709
Energy: 1.1258374269226807
Energy: 1.1278307093153004
Energy: 1.130712856937273
Energy: 1.1301139445989759
Energy: 1.1276139871928352
Energy: 1.1106631887816116
Energy: 1.1296613294644462
Energy: 1.1282645192924405
Energy: 1.1269419994689602
Energy: 1.1548968918938105
Energy: 1.1436470435622736
Energy: 1.142458830852922
Energy: 1.1541032080501807
Energy: 1.2897080289719434
Energy: 1.1293864874510782
Energy: 1.1282681167745598
Energy: 1.141182152582058
Energy: 1.186440269713959
Energy: 1.1671927782809086
Energy: 1.3989140601542127
Energy: 1.1295784765766974
Energy: 1.128518681804617
Energy: 1.1411719984503952
Energy: 1.1872614470862457
Energy: 1.1416420464403318
Energy: 1.1285697342987777
Energy: 1.1257186894368798
Energy: 1.1275395552639886
Energy: 1.1432311145029024
Energy: 1.1114819606588604
Energy: 1.1271848173873262
Energy: 1.2601006259004046
Energy: 1.1449988551253045
Energy: 1.145883939188342
Energy: 1.2601356053485138
Energy: 1.1043292919377805
Energy: 1.225421842576513
Energy: 1.1461552449301062
Energy: 1.128587922649681
Energy: 1.128043789539202
Energy: 1.111837225605885
Energy: 1.129831058226623
Energy: 1.1486851607177524
Energy: 1.2232158995016469
Energy: 1.1305780768005584
Energy: 1.1310171965644629
Energy: 1.1167255069478137
Energy: 1.2501926548897553
Energy: 1.157121342728394
Energy: 1.163955608985613
Energy: 1.1256424118808623
Energy: 1.128671738852647
Energy: 1.1570119137065897
Energy: 1.1251916573237093
Energy: 1.1551746400389151
Energy: 1.1852915405895557
Energy: 1.1280443536109221
Energy: 1.151711154956587
Energy: 1.1501898678116713
Energy: 1.1092264585402327
Energy: 1.1531759576200067
Energy: 1.1913925623600783
Energy: 1.135093854889123
Energy: 1.1506512784043752
Energy: 1.151556702750576
Energy: 1.1367166781201867
Energy: 1.1516832433684718
Energy: 1.1759109914679204
Energy: 1.1506743049824604
Energy: 1.150899138318702
Energy: 1.1427323944378103
Energy: 1.1387312081634253
Energy: 1.1353351396116051
Energy: 1.173159925992843
Energy: 1.14301795022766
Energy: 1.143060657333801
Energy: 1.1628676678232792
Energy: 1.1054631997506976
Energy: 1.1430114704303145
Energy: 1.143751881171805
Energy: 1.136242257493688
Energy: 1.1518692892430218
Energy: 1.1682379171991906
Energy: 1.1379722849102165
Energy: 1.1327767656624486
Energy: 1.418874018868701
Energy: 1.2149571843424907
Energy: 1.1333719583264545
Energy: 1.1488096548500368
Energy: 1.216915447664634
Energy: 1.1336358833754232

minimum gb energy = 1.1043292919377805 eV
minimum distance =  2.26975565231662 Angstroms
sigma value = 57


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

Energy: 1.40396453158179
Energy: 1.2661051035908495
Energy: 1.15422761284524
Energy: 1.041109109299725
Energy: 1.2386142848381747
Energy: 1.2674645540204708
Energy: 1.1531097190868076
Energy: 1.1739383421904508
Energy: 1.1539958974551785
Energy: 1.0965395394568687
Energy: 1.1542136847198872
Energy: 1.152935473758782
Energy: 1.2364284220752357
Energy: 1.143679092435971
Energy: 1.1436474732204043
Energy: 1.1185673010259658
Energy: 1.1608436224780865
Energy: 1.1447008120995414
Energy: 1.2438129260737265
Energy: 1.1589656930662162
Energy: 1.1595034274151217
Energy: 1.2463739208577675
Energy: 1.159400649389491
Energy: 1.0816036354171843
Energy: 1.2332336672293902
Energy: 1.2330885034863195
Energy: 1.2417611301675682
Energy: 1.2274386254373826
Energy: 1.2420333762759268
Energy: 1.2318781965504033
Energy: 1.1079507392828378
Energy: 1.2289010596341727
Energy: 1.236297300448644
Energy: 1.2464787615413169
Energy: 1.2315746099673783
Energy: 1.2278455075728305
Energy: 1.2489037823661562
Energy: 1.2384683402684256
Energy: 1.238922303655731
Energy: 1.186358420180929
Energy: 1.2552835829893232
Energy: 1.2406148007554494
Energy: 1.1797045209403554
Energy: 1.2513687285964876
Energy: 1.2523379799295626
Energy: 1.1494667397567004
Energy: 1.282589145117249
Energy: 1.2503775107873105
Energy: 1.2446629755259044
Energy: 1.2681406801060366
Energy: 1.2674990435428168
Energy: 1.2108520946251398
Energy: 1.2716830951958462
Energy: 1.2508179056156048
Energy: 1.4468424704968195
Energy: 1.202450333705054
Energy: 1.2019353719263353
Energy: 1.3013240301077929
Energy: 1.2026618490976289
Energy: 1.201528877264834
Energy: 1.1686837042058902
Energy: 1.1997320720016256
Energy: 1.2153097302158848
Energy: 1.2990867193842965
Energy: 1.1484261544427539
Energy: 1.3129328248090733
Energy: 1.0366118033296554
Energy: 1.2358480123728968
Energy: 1.2355864050304168
Energy: 1.0794674422163537
Energy: 1.3274611897259334
Energy: 1.1902477120620145
Energy: 1.0360312270653775
Energy: 1.2356259498121842
Energy: 1.1949924023452263
Energy: 1.1918104947447719
Energy: 1.2357562233213426
Energy: 1.1944977995547101
Energy: 1.3193408436367697
Energy: 1.2098820509054125
Energy: 1.213472454567807
Energy: 1.2862599430842203
Energy: 1.3148485824823044
Energy: 1.2137153422735736
Energy: 1.2367950078965448
Energy: 1.1083832186042173
Energy: 1.1072723402739277
Energy: 1.2401608229644554
Energy: 1.128131555880267
Energy: 1.105989329370936
Energy: 1.2347512665258986
Energy: 1.2365808420860276
Energy: 1.2119319196125062
Energy: 1.2220755421234366
Energy: 1.2360121393643795
Energy: 1.2139126255376238
Energy: 1.2485687958072078
Energy: 1.2304191741531372
Energy: 1.2320445704443426
Energy: 1.2105778327315149
Energy: 1.2309428292601858
Energy: 1.2304434816775418
Energy: 1.2492451669964975
Energy: 1.240672690715151
Energy: 1.2417690230100542
Energy: 1.2316104872032732
Energy: 1.2288979237239912
Energy: 1.2406829656147103
Energy: 1.2431677871317772
Energy: 1.2649970401815496
Energy: 1.2689672362898365
Energy: 1.2390455384009118
Energy: 1.2573775900160404
Energy: 1.26468990649542
Energy: 1.2428668807965293
Energy: 1.2666683515816777
Energy: 1.2730960932799005
Energy: 1.2704579322323442
Energy: 1.2734671613680764
Energy: 1.2669643739981875
Energy: 1.245427518433514
Energy: 1.271604912206581
Energy: 1.2541006484299362
Energy: 1.2476600784092622
Energy: 1.2691020187994784
Energy: 1.121763690599012
Energy: 1.4579013623673174
Energy: 1.1642815940720526
Energy: 1.1663094473064297
Energy: 1.2098526655261843
Energy: 1.188236169174679
Energy: 1.242334762859133
Energy: 1.233646251289685
Energy: 1.1860033997462807
Energy: 1.1755472237374565
Energy: 1.0973700044045538
Energy: 1.1686535000662874
Energy: 1.12823462360696
Energy: 1.1505247792098816
Energy: 1.1733226816014766
Energy: 1.179107823872905
Energy: 1.1908040565579674
Energy: 1.1711471540084522
Energy: 1.2679381476119316

minimum gb energy = 1.0360312270653775 eV
minimum distance =  2.24319098706504 Angstroms
sigma value = 17


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

Energy: 1.2756183739649676
Energy: 1.2482587096640159
Energy: 1.245562308690221
Energy: 1.0491623435018336
Energy: 1.1330462226906866
Energy: 1.050225322944578
Energy: 0.9996579112675947
Energy: 1.1485078151958301
Energy: 1.089780330344226
Energy: 1.1479288338522624
Energy: 1.1333756052892914
Energy: 1.0678597676055512
Energy: 1.1067645880578
Energy: 1.0814626815700419
Energy: 1.0832477112703538
Energy: 1.1039533964584336
Energy: 1.0804124728250764
Energy: 1.0277600550522519
Energy: 1.1202454923900285
Energy: 1.0809665191959872
Energy: 1.045534909907497
Energy: 1.1192799154187272
Energy: 1.042469435557183
Energy: 1.1190416304826125
Energy: 0.9845502228683135
Energy: 1.0500677656322437
Energy: 1.0490614922658341
Energy: 0.9854206144905281
Energy: 1.0428982794276371
Energy: 1.0490764082584312
Energy: 1.000585633830719
Energy: 1.0505393450847633
Energy: 1.0479112505489014
Energy: 1.0167182938213737
Energy: 0.9716918107310115
Energy: 1.0154961037763401
Energy: 0.984866707775159
Energy: 0.9704892143321987
Energy: 1.0017699082350722
Energy: 1.0177386064059177
Energy: 0.9710040739296192
Energy: 0.997937504661481
Energy: 0.9724989204318877
Energy: 1.022611929057639
Energy: 1.0207228345838317
Energy: 1.0225730823845698
Energy: 1.0217343192899544
Energy: 1.03962155107671
Energy: 0.974371201761889
Energy: 1.021090851033097
Energy: 1.0200443351390798
Energy: 0.9708760704511705
Energy: 1.0204284893381117
Energy: 0.9976808463395155
Energy: 0.9719334327702075
Energy: 1.048704717256893
Energy: 1.0482397561299555
Energy: 0.9713191295635296
Energy: 1.0487642074547363
Energy: 1.018049125485451
Energy: 0.9716780567863015
Energy: 1.0484369260924413
Energy: 1.0489213416713257
Energy: 1.0165893299998816
Energy: 1.0688320971725218
Energy: 1.050094608121266
Energy: 1.1194500560760814
Energy: 1.1039044890519742
Energy: 1.103994073757582
Energy: 1.0427316878006678
Energy: 1.1037734908083252
Energy: 1.1044750113836308
Energy: 1.1023649140895597
Energy: 1.1358784728850828
Energy: 1.1355261238690162
Energy: 1.0160964928095704
Energy: 1.1339288809906758
Energy: 1.1356948820747592
Energy: 1.1203993368351886
Energy: 1.1327632194818422
Energy: 1.1460577098931846
Energy: 1.1477206361223922
Energy: 1.1055873021717089
Energy: 1.0907409347399317
Energy: 1.1990670981246474
Energy: 1.131019395304066
Energy: 1.1307427428432
Energy: 1.1046414613185334
Energy: 1.1304628019968754
Energy: 1.1774042992502045
Energy: 1.1927323940553645
Energy: 1.1640321121448032
Energy: 1.0954072340972838
Energy: 1.105841717908677
Energy: 1.1627507138519353
Energy: 1.1468316815557738
Energy: 1.0891967178371815
Energy: 1.1358012062361358
Energy: 1.205655908899022
Energy: 0.9997059400390919
Energy: 1.1345228108714607
Energy: 1.2056009128680072

minimum gb energy = 0.9704892143321987 eV
minimum distance =  2.29051644486667 Angstroms
sigma value = 17


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

Energy: 0.8973199753432655
Energy: 1.2075072987044948
Energy: 1.0219720537935952
Energy: 1.0618350289134146
Energy: 1.0929901523411525
Energy: 1.0220466854585315
Energy: 0.9830734296716865
Energy: 1.103798107558901
Energy: 0.9913864966344256
Energy: 1.0723360326798967
Energy: 1.1125960309915208
Energy: 1.0318482230222197
Energy: 1.298915911761133
Energy: 0.9570846042237252
Energy: 1.006965140960312
Energy: 1.0800798325091927
Energy: 0.9571295495289373
Energy: 0.9842038072462893
Energy: 1.083659359093337
Energy: 1.007061130450855
Energy: 1.00735816414474
Energy: 1.0838321602679744
Energy: 0.9583651899499148
Energy: 0.984588806895014
Energy: 0.9523062897744755
Energy: 0.9759490963962842
Energy: 0.9934535034756241
Energy: 0.9533756776709318
Energy: 0.9734447793175579
Energy: 0.994629903054146
Energy: 0.864696372928258
Energy: 0.9379781434225862
Energy: 0.954068944280234
Energy: 0.9565144637006275
Energy: 0.9388859226582853
Energy: 0.9549156682214263
Energy: 0.8772820001185905
Energy: 0.9387980556344782
Energy: 0.9382580713297
Energy: 0.9129725520470601
Energy: 0.9420525236693327
Energy: 0.9430018826951533
Energy: 0.8768897509440449
Energy: 0.9326844814990355
Energy: 0.9445067903037058
Energy: 0.9575325109096372
Energy: 0.9324365500011612
Energy: 0.944548427261322
Energy: 0.8787661149080126
Energy: 0.9429753802152772
Energy: 0.9146060686502896
Energy: 0.880290813021663
Energy: 0.9130316584923306
Energy: 0.8779666331156077
Energy: 0.8779564939829212
Energy: 0.9368736753302884
Energy: 0.9380123397674539
Energy: 0.8775198876956433
Energy: 0.9352512109564776
Energy: 0.937887533295251
Energy: 0.8911417922125465
Energy: 0.8781524549011982
Energy: 0.9361791377454962
Energy: 0.9356809089482742
Energy: 0.8774085485166438
Energy: 0.9363997262907877
Energy: 0.8799531092893851
Energy: 0.8783910748089078
Energy: 0.8779854549943404
Energy: 0.8823975534921494
Energy: 0.8836717824885687
Energy: 0.9191345844059196
Energy: 0.8775248623915928
Energy: 0.9455611888004085
Energy: 0.9448813147575995
Energy: 0.9437513505273653
Energy: 0.9235557581189754
Energy: 0.9433786189911286
Energy: 0.9383618391424227
Energy: 0.9546367665379079
Energy: 0.9507272997045358
Energy: 0.9392565830286289
Energy: 0.9453399770432769
Energy: 0.9380383232404865
Energy: 0.9387553099433036
Energy: 0.9470512343054204
Energy: 0.9459758422954753
Energy: 0.93843383747685
Energy: 0.9477306113306334
Energy: 1.0029448815321875
Energy: 1.0999557545854506
Energy: 1.0306490631562837
Energy: 0.9912792513909914
Energy: 0.9732803104942633
Energy: 0.9887096190023573
Energy: 0.9750221004752186
Energy: 0.8789216832205895
Energy: 1.080376310992152
Energy: 1.0802924270916594
Energy: 0.9151912018379996
Energy: 1.0799003266050722
Energy: 0.9377106912323805
Energy: 0.9556212564792826
Energy: 1.0821711905960556
Energy: 1.09011838228595
Energy: 0.9775428494220927
Energy: 1.0803438688684723
Energy: 0.973867302991462
Energy: 0.9388128980525967
Energy: 1.058294628866564
Energy: 1.0301968674388202
Energy: 0.9539039647194344
Energy: 0.9874989660496423
Energy: 1.004985996395971
Energy: 1.2388787639274512
Energy: 0.9760791862350133
Energy: 0.9780030673288859
Energy: 1.1080201782909935
Energy: 0.9763106811592644
Energy: 1.1000864104635792
Energy: 1.2126224431395727
Energy: 1.0599431250800315
Energy: 1.1033980913803183
Energy: 1.0825622915149833
Energy: 1.082366926477223
Energy: 1.0703591871661053
Energy: 0.8916254524877393
Energy: 1.1085417716977688
Energy: 1.1726999049067957
Energy: 0.9849172948371473
Energy: 1.107305345567437
Energy: 0.9861808434568002
Energy: 0.896216038102228
Energy: 1.105817108762254
Energy: 1.103955020911687
Energy: 0.9293709510833524
Energy: 1.1031562664145
Energy: 1.1525810024391998
Energy: 1.3250137579597325
Energy: 1.0082617236633475
Energy: 1.1043476223144477
Energy: 1.0814017553775792
Energy: 0.9312648957764931
Energy: 1.0583844563056213
Energy: 1.0805633475313503
Energy: 0.9588435609842728
Energy: 0.9969382351525706
Energy: 1.0799709443998022
Energy: 0.9594592154069894
Energy: 0.9843328484261624
Energy: 0.9559167627247759
Energy: 0.9780015888659609
Energy: 0.9917983490083839
Energy: 0.9555187361266283
Energy: 0.9756596654587486
Energy: 0.9911970794680217
Energy: 0.8636659558709405
Energy: 0.9831601122420636
Energy: 0.9830859717444421
Energy: 0.9563292195687007
Energy: 0.990231282967672
Energy: 0.9546699018188406
Energy: 0.8615707367158013
Energy: 0.9389657458172012
Energy: 0.9387902954440923
Energy: 0.8618988479845352
Energy: 0.9408700121353663
Energy: 0.9387099968561442
Energy: 0.8773894329820184
Energy: 0.9451762579806421
Energy: 0.9459382241636317
Energy: 0.9534817523509083
Energy: 0.9386269104376119
Energy: 0.9452722559290466
Energy: 0.878114649730195
Energy: 0.9318762623973593
Energy: 0.9433560291330878
Energy: 0.8782194432801935
Energy: 0.9320007081924426
Energy: 0.9429912715319068
Energy: 0.8837908053418152
Energy: 0.9393366964569593
Energy: 0.9381085042153438
Energy: 0.8851827851971659
Energy: 0.9361284465458592
Energy: 0.9153403535786319
Energy: 0.8912322772045351
Energy: 0.94007190592861
Energy: 0.939598132975139
Energy: 0.9466371852489323
Energy: 0.9369020365313419
Energy: 0.9400560715606161
Energy: 0.9734899318856604
Energy: 0.8778343456282521
Energy: 0.8780003769866699
Energy: 0.9737418530781587
Energy: 0.8792853130240466
Energy: 0.8778347052327273
Energy: 0.9744490162712319
Energy: 0.9427142335819504
Energy: 0.9586102701584005
Energy: 0.9517640857687749
Energy: 0.9195768360872284
Energy: 0.9486058591809579
Energy: 0.9471099098258443
Energy: 0.9476124812985945
Energy: 0.9476287538990389
Energy: 0.9386287854921591
Energy: 0.9490752470328658
Energy: 0.9490892747085786
Energy: 0.9391559720663167
Energy: 0.945206775773521
Energy: 0.9832629762829798
Energy: 0.9390917393087459
Energy: 0.9450208941211834
Energy: 0.974780804775099
Energy: 0.940612598899667
Energy: 0.9906004505725952
Energy: 0.9911376938522298
Energy: 0.9784809049922585
Energy: 1.0100130704632575
Energy: 0.9764381409057068
Energy: 0.8761345618030593
Energy: 1.0798333841665948
Energy: 1.0785576433104092
Energy: 0.9701124850171616
Energy: 1.0828752786363316
Energy: 0.9784302291249629
Energy: 0.878697385252073
Energy: 1.091610226511117
Energy: 0.9750648647810014
Energy: 0.9740172673886385
Energy: 1.107718391661376
Energy: 0.9755117638296927
Energy: 0.9383220513373532
Energy: 1.0585634640707842
Energy: 1.0819735452828771
Energy: 0.9548831389034153
Energy: 1.0841901017840117
Energy: 1.0464950300617453
Energy: 1.1137141256474519
Energy: 0.9796408103416683
Energy: 1.0788156148851646
Energy: 1.0933638702754418
Energy: 0.9764653184739355
Energy: 1.0795012892310198
Energy: 1.3179248299249693
Energy: 1.02957091550334
Energy: 1.0918133222557194
Energy: 1.0824876494529443
Energy: 0.9886955808274334
Energy: 1.06780111872307
Energy: 0.8973468147597107
Energy: 1.105581566681748
Energy: 1.0905717164725153
Energy: 0.9295251397320586
Energy: 1.111231271463824
Energy: 1.1523922730921405

minimum gb energy = 0.8615707367158013 eV
minimum distance =  2.27543175601447 Angstroms
sigma value = 57


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

Energy: 1.0011800252956211
Energy: 1.1528712425276024
Energy: 0.9926334028602442
Energy: 0.9693021564031544
Energy: 1.3554521230515586
Energy: 1.0343180685674342
Energy: 0.9575998219864346
Energy: 1.0564891335269813
Energy: 0.9420111599123524
Energy: 1.0262315848978039
Energy: 1.0449346048855892
Energy: 0.9890374765904624
Energy: 1.2283249633614377
Energy: 0.9058193167773894
Energy: 0.9105774435596401
Energy: 1.0493851869192912
Energy: 0.905756707141161
Energy: 0.962587732734127
Energy: 1.0454452419395335
Energy: 0.9054856272398402
Energy: 0.9872802354099761
Energy: 1.0467939520226637
Energy: 0.8809022963834134
Energy: 0.9723321745970389
Energy: 0.9004682046279592
Energy: 0.9512836746133099
Energy: 0.9436304845439378
Energy: 0.9013221482375949
Energy: 0.9144781233440571
Energy: 0.9429011544105229
Energy: 0.8000323926980876
Energy: 0.9118379750572312
Energy: 0.9043340470516021
Energy: 0.8744990719504784
Energy: 0.9118795132990621
Energy: 0.9047614210919427
Energy: 0.8392585008683837
Energy: 0.9167667267892313
Energy: 0.9118744741695446
Energy: 0.9036539541862886
Energy: 0.9175967122690436
Energy: 0.8996407727607221
Energy: 0.8421154005934337
Energy: 0.8705149198266828
Energy: 0.8707146463608207
Energy: 0.8788626970451524
Energy: 0.8703598082257
Energy: 0.8876801758264649
Energy: 0.8433709061292164
Energy: 0.8874842411769108
Energy: 0.8403580757993089
Energy: 0.8449064141142787
Energy: 0.8507323993027557
Energy: 0.8397976030602452
Energy: 0.8396521514315363
Energy: 0.891929114157325
Energy: 0.8749999168344088
Energy: 0.839683546184506
Energy: 0.8896963286026773
Energy: 0.8763705455802409
Energy: 0.814978733549352
Energy: 0.8075794442340793
Energy: 0.8755017633080882
Energy: 0.866406292624545
Energy: 0.8080556526243119
Energy: 0.8659744888437072
Energy: 0.8442486276454623
Energy: 0.8173002548323685
Energy: 0.8076271920027187
Energy: 0.9063092581272534
Energy: 0.814425176117884
Energy: 0.8463224930818177
Energy: 0.8067842056241252
Energy: 0.909423255235322
Energy: 0.9061726796602222
Energy: 0.8691936996119849
Energy: 0.9063712314306388
Energy: 0.887293972134337
Energy: 0.808588609744657
Energy: 0.8678600894487687
Energy: 0.8066734264229664
Energy: 0.8107677113846267
Energy: 0.8916519581951042
Energy: 0.8075584085313299
Energy: 0.8078361829561891
Energy: 0.8919883340175804
Energy: 0.8681884255367649
Energy: 0.8074389823095471
Energy: 0.8951736131514488
Energy: 0.866488626722247
Energy: 0.8578708033171301
Energy: 0.8395114610339156
Energy: 0.8740086630495691
Energy: 0.8737453262153436
Energy: 0.8401934879573997
Energy: 0.8720333712822025
Energy: 0.8577667526447477
Energy: 0.8403154066256505
Energy: 0.839938294732375
Energy: 0.8710913254914459
Energy: 0.8490338774055217
Energy: 0.8955767212710959
Energy: 0.8112736955226317
Energy: 0.879781975959103
Energy: 0.8962956782468684
Energy: 0.8563876556463449
Energy: 0.8771153821436128
Energy: 0.8998364851323167
Energy: 0.9116114362336658
Energy: 0.901026080086084
Energy: 0.9036596313351231
Energy: 0.9138047367871808
Energy: 0.8892365399541252
Energy: 0.9117576313068751
Energy: 0.9107425705491329
Energy: 0.8928420774425254
Energy: 0.8914304960446108
Energy: 0.9113079865362586
Energy: 0.8924271023455045
Energy: 0.9430206199415306
Energy: 1.0514284481419418
Energy: 0.9396441211274918
Energy: 0.9532901800535951
Energy: 0.9347808202843506
Energy: 0.938493807147046
Energy: 0.9576350949367964
Energy: 0.9001907464146081
Energy: 1.0420793950231866
Energy: 0.911658917815284
Energy: 0.8906960667278813
Energy: 1.0417495120696243
Energy: 0.9503196504991871
Energy: 0.8456647569108419
Energy: 1.0404844736203727
Energy: 1.0236321259391827
Energy: 0.8454342592705819
Energy: 1.0466481048445009
Energy: 1.0056318335910164
Energy: 1.188064401267219
Energy: 0.9352565925080425
Energy: 0.940006132362462
Energy: 0.9350337413511735
Energy: 0.9493652011844232
Energy: 0.9571426748157578
Energy: 1.233399404154084
Energy: 0.9343981946205
Energy: 0.9339214507429348
Energy: 1.0416852112279487
Energy: 0.9338983183990874
Energy: 1.0614126639955013
Energy: 1.2451912101138014
Energy: 1.0196077291282584
Energy: 1.0114617323213089
Energy: 1.0194869614449376
Energy: 1.021371421939803
Energy: 1.0123103139457943
Energy: 0.8153102447886945
Energy: 1.05667185270024
Energy: 0.9599475401317279
Energy: 0.8646903923802586
Energy: 1.0560160473562687
Energy: 0.9608542590816244

minimum gb energy = 0.8000323926980876 eV
minimum distance =  2.27346633383075 Angstroms
sigma value = 43


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

Energy: 0.70978806451224
Energy: 1.0263660614270675
Energy: 0.9266298817135453
Energy: 0.834920829883233
Energy: 0.9470975072730959
Energy: 0.869647434456426
Energy: 1.0261596538824114
Energy: 0.8259924394603784
Energy: 0.8153648343442605
Energy: 0.8717446445287206
Energy: 0.8257283449528677
Energy: 0.8144936074491851
Energy: 1.0661190013202035
Energy: 0.7681086856704641
Energy: 0.796544024586559
Energy: 0.9233492642137965
Energy: 0.7675869824838781
Energy: 0.7972038901642328
Energy: 0.947683687997739
Energy: 0.7970826940423564
Energy: 0.796940380562345
Energy: 0.8293056170213335
Energy: 0.7711962183770026
Energy: 0.8519973883465297
Energy: 0.7336697730055339
Energy: 0.8126804990893091
Energy: 0.8145748492955812
Energy: 0.7336347797063866
Energy: 0.8246814168092228
Energy: 0.8129479368954287
Energy: 0.8512966730911622
Energy: 0.8209854365765598
Energy: 0.7897047884900638
Energy: 0.7475540284384081
Energy: 0.8208596002663286
Energy: 0.7633636816145257
Energy: 1.0028905295166035
Energy: 0.8211760830454331
Energy: 0.8214353909695542
Energy: 0.7729016374218627
Energy: 0.821796846578859
Energy: 0.7716482199447581
Energy: 0.9739320635628387
Energy: 0.7449570463792996
Energy: 0.7569857282072804
Energy: 0.7721400806898581
Energy: 0.7421773781998823
Energy: 0.7566564896302329
Energy: 0.761182913933521
Energy: 0.7559970473575967
Energy: 0.7584754270149539
Energy: 0.763336562696428
Energy: 0.7031516737139101
Energy: 0.7577062098626682
Energy: 0.7442495622946711
Energy: 0.7471923968232842
Energy: 0.7481310557443072
Energy: 0.7442007222567998
Energy: 0.7470028600839874
Energy: 0.7477653115576892
Energy: 0.6824085400660017
Energy: 0.7181308360510394
Energy: 0.7471975872864232
Energy: 0.7632995886756279
Energy: 0.7181723004983148
Energy: 0.7409440826629348
Energy: 0.7578787621251036
Energy: 0.7183678661751606
Energy: 0.7186190408575066
Energy: 0.7507758431788815
Energy: 0.7192245643577546
Energy: 0.7522018413729216
Energy: 0.6976344819378707
Energy: 0.7597295350361274
Energy: 0.7693101611182585
Energy: 0.7640119950856422
Energy: 0.7590476751679837
Energy: 0.7702672143806075
Energy: 0.6956670952582531
Energy: 0.7233660491696594
Energy: 0.6951135657205679
Energy: 0.6978937252206953
Energy: 0.8164522724860782
Energy: 0.6953446606403999
Energy: 0.6951415681364782
Energy: 0.7312499184935974
Energy: 0.7304910454610715
Energy: 0.6951316354992667
Energy: 0.732455413827388
Energy: 0.7369273557776361
Energy: 0.6891616997140475
Energy: 0.6846868267118342
Energy: 0.6847299130875241
Energy: 0.7316010298845985
Energy: 0.6849351745222312
Energy: 0.7439534498473327
Energy: 0.6993777182645938
Energy: 0.6847679934639406
Energy: 0.6844211962011516
Energy: 0.7225014177495617
Energy: 0.6850430040227716
Energy: 0.7342526516291779
Energy: 0.683897311217364
Energy: 0.7560437192094673
Energy: 0.7556527136440587
Energy: 0.6846655320719377
Energy: 0.7538524716805199
Energy: 0.7437305423015854
Energy: 0.6848439696787576
Energy: 0.7773777244873743
Energy: 0.6845064766251351
Energy: 0.6861335810574405
Energy: 0.8107215412755141
Energy: 0.6846407200001305
Energy: 0.6841845744218374
Energy: 0.756386269123368
Energy: 0.7604220070598674
Energy: 0.6844685667363136
Energy: 0.7569494630751809
Energy: 0.758085431858708
Energy: 0.7231523481646257
Energy: 0.6954820612860498
Energy: 0.6951351505716228
Energy: 0.7416926566084823
Energy: 0.6957678017316806
Energy: 0.7423102637687742
Energy: 0.6864472441615305
Energy: 0.6950832469729795
Energy: 0.6955623383898311
Energy: 0.7340981950036599
Energy: 0.6953378550358978
Energy: 0.7346161413493235
Energy: 0.7183077383693957
Energy: 0.7363052212557771
Energy: 0.7362347288219989
Energy: 0.7191240498362312
Energy: 0.7348039268157514
Energy: 0.7366158701036802
Energy: 0.7190371442963351
Energy: 0.8046543142463382
Energy: 0.7182804099424196
Energy: 0.7213156321893481
Energy: 0.7656580706445234
Energy: 0.7186003345242454
Energy: 0.9458247951851341
Energy: 0.7529955585407235
Energy: 0.7682386460845909
Energy: 0.7471502328341433
Energy: 0.752742311673623
Energy: 0.7683934729977266
Energy: 0.8266989571408678
Energy: 0.7579576389513549
Energy: 0.7584957411463756
Energy: 0.7576292534721063
Energy: 0.7579458169916055
Energy: 0.757256177173148
Energy: 0.6858609254657577
Energy: 0.7576787336294898
Energy: 0.7735130362066609
Energy: 0.7570946782485302
Energy: 0.7576920936720422
Energy: 0.7508093807084872
Energy: 0.7582615239396469
Energy: 0.7730745852647436
Energy: 0.7743523708408829
Energy: 0.7193293347143018
Energy: 0.7725765382449054
Energy: 0.7714491620689545
Energy: 0.8242794389169829
Energy: 0.7754640501857697
Energy: 0.8354493881270222
Energy: 0.8265141523781805
Energy: 0.7184267830038097
Energy: 0.8211664075479183
Energy: 1.0092286649743756
Energy: 0.7569823848426057
Energy: 0.7762741894191868
Energy: 0.8216869454847808
Energy: 0.7565017207984137
Energy: 0.776002431828078
Energy: 1.0351763219052887
Energy: 0.8262296577941399
Energy: 0.8269118116741021
Energy: 0.8261389918676834
Energy: 0.8259113994062722
Energy: 0.8150811295313796
Energy: 0.861835015037565
Energy: 0.9233174041120544
Energy: 0.8152034939235118
Energy: 0.7653755472358108
Energy: 0.9231976166985429
Energy: 0.7954696557619335
Energy: 0.7573963140440856
Energy: 0.8612573344856335
Energy: 0.8568211631243496
Energy: 0.7855828278040043
Energy: 0.8829908743822602
Energy: 0.8484330331023304
Energy: 1.0366297614861937
Energy: 0.82824310381909
Energy: 0.840061264090323
Energy: 0.8287493070812892
Energy: 0.8513522646151784
Energy: 0.8715051309548972
Energy: 1.0656886441934224
Energy: 0.7799722538803898
Energy: 0.8406674369993532
Energy: 0.9235339657411584
Energy: 0.8005126046777316
Energy: 0.8321980803253547
Energy: 1.0096554866281917
Energy: 0.873540135735448
Energy: 0.8446998921682038
Energy: 0.8721920411730036
Energy: 0.8711557868986725
Energy: 0.8579328895869148

minimum gb energy = 0.6824085400660017 eV
minimum distance =  2.3184503770971 Angstroms
sigma value = 81


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

Energy: 0.08666400435816879
Energy: 0.13699014252059882
Energy: 0.08762358251954314
Energy: 0.08952153843373395
Energy: 0.08895797511548859
Energy: 0.08740140468036887
Energy: 0.13822202223261132
Energy: 0.0890657075505433
Energy: 0.08859344658371686
Energy: 0.13944812357013756
Energy: 0.09108311203748441
Energy: 0.08861161348314968
Energy: 0.13747820268036115
Energy: 0.08730913241475005
Energy: 0.0872367250121496
Energy: 0.13719005548833754
Energy: 0.08715187711916231
Energy: 0.13704131616571344
Energy: 0.09289698315796478
Energy: 0.08730219360727823
Energy: 0.087387999459472
Energy: 0.09006199290709081
Energy: 0.0871734046633198
Energy: 0.13772543746028912
Energy: 0.13709916832420574
Energy: 0.13698145925632077
Energy: 0.1395255958838464
Energy: 0.13834006637467394
Energy: 0.13711708489686972
Energy: 0.1376887034475523
Energy: 0.08806662432874794
Energy: 0.08864520678135067
Energy: 0.08716385865553913
Energy: 0.09007292899779318
Energy: 0.0884584232760866
Energy: 0.08757404396632805
Energy: 0.13925743467880927
Energy: 0.08813799705438113
Energy: 0.08886748832903511
Energy: 0.13923038440239136
Energy: 0.08839679045764277
Energy: 0.08887870579564142
Energy: 0.13791926213097502
Energy: 0.08742998577092506
Energy: 0.08746625010792257
Energy: 0.13733984372854127
Energy: 0.08722168154882406
Energy: 0.13970906756129145
Energy: 0.09023146442236916
Energy: 0.08745072738223551
Energy: 0.13882602985051026
Energy: 0.0919165791134636
Energy: 0.08737526108371262
Energy: 0.1397436659192367
Energy: 0.0877765877679273
Energy: 0.13763871163283767
Energy: 0.1373701717253722
Energy: 0.08759922727262391
Energy: 0.1371100363822785
Energy: 0.13754606448905077

minimum gb energy = 0.08666400435816879 eV
minimum distance =  2.46214633504996 Angstroms
sigma value = 3


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

Energy: 0.9099574105768926
Energy: 0.9329478276406629
Energy: 0.8830113727733513
Energy: 0.80739002531581
Energy: 0.8932315526148621
Energy: 0.8096069625553198
Energy: 0.8642720200348444
Energy: 0.9051845404277213
Energy: 0.8880152340508883
Energy: 0.8880987659913879
Energy: 0.907286159924314
Energy: 0.9064902807403346
Energy: 0.9080004713420146
Energy: 0.8099480306069987
Energy: 0.8096681090939941
Energy: 0.9040231002903029
Energy: 0.833553587131889
Energy: 0.8912045447693633
Energy: 0.8379152980973108
Energy: 0.8338922449890833
Energy: 0.8102459581194308
Energy: 0.8375690889793334
Energy: 0.7506979382816426
Energy: 0.890678455248195
Energy: 0.7601309334230523
Energy: 0.9248406711137859
Energy: 0.923361779656585
Energy: 0.7601507332602422
Energy: 0.9093490683445477
Energy: 0.9050820460115462
Energy: 0.7079718225029917
Energy: 0.8881139071952744
Energy: 0.8238542089843418
Energy: 0.7086791456627766
Energy: 0.904119880121281
Energy: 0.7530861480554116
Energy: 0.8353784222525906
Energy: 0.7705436515293311
Energy: 0.7733340832941651
Energy: 0.836393602256241
Energy: 0.7705623731779493
Energy: 0.8387247475921695
Energy: 0.837709038556387
Energy: 0.7951340431181217
Energy: 0.7640552397963161
Energy: 0.8376910298251631
Energy: 0.6752293576766252
Energy: 0.7628703135581246
Energy: 0.8913449351569739
Energy: 0.7985676244171479
Energy: 0.8504665252266205
Energy: 0.8576296645635622
Energy: 0.7107182071802381
Energy: 0.8504570101306403
Energy: 0.7170412853324494
Energy: 0.7706074052772212
Energy: 0.7702561176824247
Energy: 0.717200068155004
Energy: 0.7756865799101694
Energy: 0.7733789911331027
Energy: 0.8506627642708108
Energy: 0.7729853978641225
Energy: 0.7730210832910862
Energy: 0.6822505934289879
Energy: 0.8571720208641981
Energy: 0.715079190472865
Energy: 0.716833061140315
Energy: 0.7739076395713153
Energy: 0.7736495167262757
Energy: 0.7167711164102568
Energy: 0.7738105928720598
Energy: 0.71662002767816
Energy: 0.7181803032777317
Energy: 0.6802353869947034
Energy: 0.7208637084138971
Energy: 0.7183241080480361
Energy: 0.6621045488637639
Energy: 0.718559142133418
Energy: 0.8393016295350086
Energy: 0.6830097662300945
Energy: 0.7204435525062063
Energy: 0.7221219985052195
Energy: 0.6822924704838512
Energy: 0.7207789243603254
Energy: 0.8388447598391106
Energy: 0.6820425429204713
Energy: 0.6819052954319537
Energy: 0.8386921287881502
Energy: 0.6879953843651458
Energy: 0.6820324603602171
Energy: 0.8361186563970977
Energy: 0.6838680226924992
Energy: 0.7534139245952853
Energy: 0.6648589867710627
Energy: 0.8265552699339871
Energy: 0.7514538935637146
Energy: 0.6647121578872811
Energy: 0.6840587252196092
Energy: 0.7403027161394111
Energy: 0.6646062442561826
Energy: 0.685208377915476
Energy: 0.6642522836441505
Energy: 0.6649795436760564
Energy: 0.7926309946526775
Energy: 0.817644132932188
Energy: 0.6650208222086994
Energy: 0.6649086483390728
Energy: 0.6656250470771324
Energy: 0.8246239159818004
Energy: 0.6656852087752595
Energy: 0.8052135195373534
Energy: 0.6695266791680394
Energy: 0.665332578157197
Energy: 0.7924329983901012
Energy: 0.8324691363421916
Energy: 0.6646041039289172
Energy: 0.6643825706804292
Energy: 0.8332889131842937
Energy: 0.6713375068984446
Energy: 0.6647854390891058
Energy: 0.8338856936536709
Energy: 0.800983854200927
Energy: 0.7995555901527371
Energy: 0.7645645460793239
Energy: 0.8012701952240181
Energy: 0.7982248443831655
Energy: 0.6848594194431571
Energy: 0.8012833336159639
Energy: 0.6851639116970638
Energy: 0.6825225029153995
Energy: 0.8009175704285872
Energy: 0.6820400716513443
Energy: 0.6819685431444753
Energy: 0.8300255098422058
Energy: 0.830932326780601
Energy: 0.6819764437650834
Energy: 0.720043557727851
Energy: 0.7225327862529358
Energy: 0.8399613068717591
Energy: 0.7181967119720073
Energy: 0.7186537313468325
Energy: 0.6678915497425022
Energy: 0.7177610087325377
Energy: 0.6947143169082663
Energy: 0.7683925251714561
Energy: 0.7170285147591333
Energy: 0.7168453943842891
Energy: 0.7704179931792018
Energy: 0.7176488517231641
Energy: 0.7170131729029959
Energy: 0.8601246214303091
Energy: 0.7385851674648884
Energy: 0.7384770659469055
Energy: 0.857774442586501
Energy: 0.7459774537718087
Energy: 0.7733218981400657
Energy: 0.7749277611084416
Energy: 0.7397509777550598
Energy: 0.7401927561687308
Energy: 0.7747677696809135
Energy: 0.7780328994402741
Energy: 0.7724280603912954
Energy: 0.7353203460838792
Energy: 0.8937409574237009
Energy: 0.8888966979580891
Energy: 0.7354295170282427
Energy: 0.8907833000084867
Energy: 0.8544168123687126
Energy: 0.8583001069965884
Energy: 0.8380089246533664
Energy: 0.7972477766100221
Energy: 0.69147549343918
Energy: 0.838073623217104
Energy: 0.7313573461883038
Energy: 0.7702497711007683
Energy: 0.8518688195474134
Energy: 0.8551197997396031
Energy: 0.7701501515163302
Energy: 0.8375575866319562
Energy: 0.8416299734569641
Energy: 0.9049184351055984
Energy: 0.7299772572274257
Energy: 0.7860770891400651
Energy: 0.9061993583091923
Energy: 0.6851098082169791
Energy: 0.7857416286036869
Energy: 0.9079014766344891
Energy: 0.8238332264509689
Energy: 0.8984223418637421
Energy: 0.9086335216706753
Energy: 0.7285390232457872
Energy: 0.924366290131893
Energy: 0.7836409322336594
Energy: 0.8373136551180991
Energy: 0.836921287832634
Energy: 0.7836099498277607
Energy: 0.8389657312475661
Energy: 0.8618796495388666

minimum gb energy = 0.6621045488637639 eV
minimum distance =  2.27442400732036 Angstroms
sigma value = 67


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

Energy: 1.1216610702459122
Energy: 1.1030187805305067
Energy: 1.0511659540057416
Energy: 0.8515266269363518
Energy: 1.0609821899521654
Energy: 1.0467440077723476
Energy: 1.0134983090122
Energy: 1.0604377460656145
Energy: 1.0598237535257136
Energy: 1.055311382050247
Energy: 1.0631446183006197
Energy: 1.06799016317202
Energy: 1.1347310551214072
Energy: 0.9596867742964309
Energy: 1.0637850553041446
Energy: 1.0576328096671865
Energy: 0.8821640966160768
Energy: 1.0639540318534242
Energy: 1.0617887097800822
Energy: 1.0260213135379068
Energy: 1.0752404757460372
Energy: 1.062865867363742
Energy: 1.0252753707809528
Energy: 1.0763422609167919
Energy: 0.9672055357997493
Energy: 1.0634585866778254
Energy: 1.078553772192501
Energy: 0.9676512086056551
Energy: 1.0612885432416872
Energy: 1.0791375932817668
Energy: 0.9453001966420739
Energy: 1.0513830051675153
Energy: 0.9647721975474387
Energy: 0.8843265617001712
Energy: 1.0683204849899768
Energy: 0.9641895319964771
Energy: 0.9672243640733272
Energy: 0.9918178559567986
Energy: 0.984802153342394
Energy: 0.9673280735941386
Energy: 0.987487447485621
Energy: 0.9859013454056056
Energy: 0.9700377771506645
Energy: 0.8421790134168488
Energy: 0.8781999909542172
Energy: 0.969983993998524
Energy: 0.835755558449573
Energy: 0.9684239492510424
Energy: 1.0342483952577572
Energy: 0.982211327589835
Energy: 0.9883642664299276
Energy: 0.9870510891478853
Energy: 0.8808677344568633
Energy: 0.9924553555329135
Energy: 0.9383290878382244
Energy: 0.8870647165998414
Energy: 0.8825830111899053
Energy: 0.9415250377258712
Energy: 0.8847415739936122
Energy: 0.8815107309907054
Energy: 0.9380146241863713
Energy: 0.881565479259652
Energy: 0.8808213041912433
Energy: 0.836705290828249
Energy: 1.0213216919949275
Energy: 0.8810631543370775
Energy: 0.8359085938681298
Energy: 0.8811052515778709
Energy: 0.9987204734857646
Energy: 0.835843084339502
Energy: 0.8811139359183311
Energy: 0.8352812941501164
Energy: 0.8361591327228306
Energy: 0.8436833166821084
Energy: 0.9872355843552868
Energy: 0.8356342582257683
Energy: 0.8378344122422029
Energy: 0.8348889611698616
Energy: 1.0101371745054988
Energy: 0.8602352458945427
Energy: 0.8725097316701514
Energy: 0.8359721822268302
Energy: 0.832773370874623
Energy: 0.9859769165037112
Energy: 1.0110603670542553
Energy: 0.8404082193824193
Energy: 0.8361089730387068
Energy: 1.0127464096079444
Energy: 0.836695390357595
Energy: 0.8356173371662772
Energy: 1.0131638729467245
Energy: 0.8926150487443475
Energy: 0.9914330601358745
Energy: 0.8831519582520172
Energy: 0.8357050875906215
Energy: 0.8838714627310222
Energy: 0.8884850067692663
Energy: 0.8310765037855511
Energy: 0.8461609493133019
Energy: 0.8893167839817142
Energy: 0.8246041409996809
Energy: 0.8811399085779109
Energy: 0.8820763318988867
Energy: 1.0344464749692996
Energy: 1.0366269536815866
Energy: 0.8824308303709372
Energy: 1.031481303298632
Energy: 0.8807488566203974
Energy: 1.0274965916996155
Energy: 1.0209374410675909
Energy: 0.9140280667323392
Energy: 0.8509253842925447
Energy: 1.0711151533773566
Energy: 0.9150384849315083
Energy: 0.881885056600606
Energy: 0.9729954649384946
Energy: 0.9967257560147592
Energy: 0.8827551414684751
Energy: 0.9707225223526915
Energy: 0.9900870792972414
Energy: 1.0781760544118393
Energy: 0.9257032134641026
Energy: 1.0450659407985714
Energy: 1.0798147835860676
Energy: 0.9127414923937853
Energy: 1.0500083413839756
Energy: 1.0775668152905133
Energy: 0.9020545539211352
Energy: 1.0509801932567953
Energy: 1.0574346752402182
Energy: 0.8480876830121787
Energy: 1.039259610885056
Energy: 1.0139044682025191
Energy: 0.9807626217544072
Energy: 0.9749607446503739
Energy: 1.0167988049151693
Energy: 0.9745624341703045
Energy: 0.9904955106820004

minimum gb energy = 0.8246041409996809 eV
minimum distance =  2.26715538354466 Angstroms
sigma value = 33


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

Energy: 1.3018560846981184
Energy: 1.3023832403986986
Energy: 1.2900476797866416
Energy: 0.9854088134527377
Energy: 1.0417904469493253
Energy: 1.2073347170248303
Energy: 1.175489745442778
Energy: 1.2262069251457481
Energy: 1.1816701828347442
Energy: 1.1345545791099092
Energy: 1.1819308734131735
Energy: 1.2377089922002347
Energy: 1.2722835980821288
Energy: 1.120209560742435
Energy: 1.2164117527258609
Energy: 1.1419647521522434
Energy: 1.1237428597196109
Energy: 1.2297384916563017
Energy: 1.1797553249089479
Energy: 1.1899945083424135
Energy: 1.2228296672096808
Energy: 1.1436078312340159
Energy: 1.171223054860825
Energy: 1.222599680929361
Energy: 1.1176391675034725
Energy: 1.1286106019786686
Energy: 1.2365763487292292
Energy: 1.1185485351113709
Energy: 1.232865287485174
Energy: 1.1366234480630373
Energy: 1.2229819859670712
Energy: 1.2548187634990167
Energy: 1.1281902390324567
Energy: 1.0280567756004677
Energy: 1.085623967994223
Energy: 1.0927332450735394
Energy: 1.1178766969941025
Energy: 1.1336055478424967
Energy: 1.085367900721253
Energy: 1.1188327842825097
Energy: 1.1987534591491182
Energy: 1.1354961036619953
Energy: 1.1174753457769706
Energy: 1.099316427224163
Energy: 1.0777880115811063
Energy: 1.118190734788828
Energy: 1.099379505922938
Energy: 1.138304952345658
Energy: 1.1985413006802044
Energy: 1.167336066061398
Energy: 1.1759329306477042
Energy: 1.1683239267850212
Energy: 1.0268003100717462
Energy: 1.1777450112070216
Energy: 1.2068913015962297
Energy: 1.0270656203368644
Energy: 1.0264622559179688
Energy: 1.112763752227402
Energy: 1.029389217929766
Energy: 1.026333987966988
Energy: 1.2064682925549373
Energy: 1.0528950612222157
Energy: 1.0644774350426902
Energy: 1.0632890554873098
Energy: 1.0270387758526103
Energy: 1.109528377438397
Energy: 1.02698523346018
Energy: 1.0887550657068172
Energy: 1.0276080092263522
Energy: 1.0268814408770637
Energy: 1.0392295715160753
Energy: 1.0268192309107285
Energy: 1.0269897641242185
Energy: 1.0818615993262406
Energy: 1.0278456393382853
Energy: 1.0267736868899378
Energy: 1.1149993858205631
Energy: 1.0268813949132898
Energy: 0.9666663858683406
Energy: 1.0953077520266217
Energy: 1.1446977174484327
Energy: 1.0030296161238617
Energy: 1.167791889120331
Energy: 1.025832476040378
Energy: 0.9656267960834726
Energy: 1.1291977181403314
Energy: 1.124370940941113
Energy: 0.9653786746278905
Energy: 1.1259484130520636
Energy: 1.1241696758871644
Energy: 1.185351080905489
Energy: 1.203172450814887
Energy: 1.2054482287410617
Energy: 1.1484285640477585
Energy: 1.0245139599238142
Energy: 1.1413380451304325
Energy: 1.2400816827445196
Energy: 1.0629322481011994
Energy: 1.0627321041690077
Energy: 1.2390318771963356
Energy: 1.0646786562992325
Energy: 1.2018967722867449
Energy: 1.2387853602880956
Energy: 1.2361892928150606
Energy: 1.1274247946382063
Energy: 1.2388023203439005
Energy: 1.2379286549318607
Energy: 1.2217310647331876
Energy: 1.199290193750284
Energy: 1.1772837428595122
Energy: 1.0295336051118678
Energy: 0.9735041287983962
Energy: 1.2471606490227634
Energy: 1.1073288318352665
Energy: 1.1096996440892946
Energy: 1.2384506518900675
Energy: 1.2355278048073561
Energy: 1.1127438570722343
Energy: 1.2401079652848042
Energy: 1.2349592853693507
Energy: 1.2417542300447457
Energy: 1.1905939243897594
Energy: 1.2193956564443424
Energy: 1.2396811443380635
Energy: 1.1385937255460477
Energy: 1.2224676818127849
Energy: 1.1289320640913998
Energy: 1.1202650402838805
Energy: 1.2168788469043537
Energy: 1.1294390615048282
Energy: 1.1241161814412073
Energy: 1.2296576842600588
Energy: 1.1194591452324592
Energy: 1.2352834248236415
Energy: 1.2350305178852317
Energy: 1.1192246660352898
Energy: 1.237748022962234
Energy: 1.2365821145137632
Energy: 1.1143526882962707
Energy: 1.2955882429327625
Energy: 1.0922691895507326
Energy: 1.0236389382114315
Energy: 1.294840153554135
Energy: 1.11537305946707
Energy: 1.1203423315237167
Energy: 1.2241986223124732
Energy: 1.221984657962499
Energy: 1.1206755509669228
Energy: 1.239272167947997
Energy: 1.1387512105502688
Energy: 1.1296147522260276
Energy: 1.0935864965088673
Energy: 1.0783923946082121
Energy: 1.119579899035103
Energy: 1.0865919249260896
Energy: 1.1418519645791483
Energy: 1.2023794949964062
Energy: 1.064410612447167
Energy: 1.1631116222683668
Energy: 1.1789057932326796
Energy: 1.081720868373204
Energy: 1.1878122860684044
Energy: 1.2028118155549765
Energy: 1.0267292469194396
Energy: 1.0264361349416464
Energy: 1.206961907252278
Energy: 1.0300535527875645
Energy: 1.0263614254721183
Energy: 1.2043017273859264
Energy: 1.0290794235034637
Energy: 1.1106338414643475
Energy: 1.0609913248294556
Energy: 1.026972721906877
Energy: 1.064383203860152
Energy: 1.0239262003679925
Energy: 1.100339433343673
Energy: 1.027888106544693
Energy: 1.0250269671890362
Energy: 1.0345917087413345
Energy: 1.024056706070832
Energy: 1.0247192212720004
Energy: 1.0932288832145658
Energy: 1.0251680275620139
Energy: 1.0252012989527173
Energy: 1.0913063618941392
Energy: 1.0242281729719764
Energy: 1.0240148590302822
Energy: 1.1338562643772674
Energy: 1.129179105133836
Energy: 1.0025942947757198
Energy: 1.0906619497776617
Energy: 1.0257634780946698
Energy: 1.0181404786190356
Energy: 1.115380624297574
Energy: 1.1242932666192424
Energy: 1.0242213813197425
Energy: 1.116698023666993
Energy: 1.0289561810823007
Energy: 1.186367126675126
Energy: 1.026546774247458
Energy: 1.1396254053597954
Energy: 1.190564963231972
Energy: 1.0244925843592678
Energy: 1.1652632402656165
Energy: 1.2827174433080932
Energy: 1.0627617136129592
Energy: 1.0636795760894808
Energy: 1.1776342475911492
Energy: 1.0047693103634199
Energy: 1.1957714234532386
Energy: 1.2947743263396234
Energy: 1.1142573178086759
Energy: 1.172496752100601
Energy: 1.1347301967152357
Energy: 1.0665440254863559
Energy: 1.228381209146407
Energy: 1.238948829082404
Energy: 1.0202483322027458
Energy: 1.219728865034175
Energy: 0.9796827888478792
Energy: 1.0194185905265356
Energy: 1.1711370681645368

minimum gb energy = 0.9653786746278905 eV
minimum distance =  2.25363402008811 Angstroms
sigma value = 41


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

Energy: 1.3991000118013035
Energy: 1.1089962505284274
Energy: 1.111845075163854
Energy: 1.1149401189254315
Energy: 1.1471693045578106
Energy: 1.1078779383827202
Energy: 1.197944226138198
Energy: 1.2696289700198369
Energy: 1.2275485293576356
Energy: 1.2644790796029268
Energy: 1.174255188492356
Energy: 1.227645969409571
Energy: 1.3686159093985373
Energy: 1.1407960877519874
Energy: 1.1071554558621821
Energy: 1.147254848723792
Energy: 1.1454273119942682
Energy: 1.141735769024165
Energy: 1.1691317813030784
Energy: 1.1422767041959108
Energy: 1.1074187833315061
Energy: 1.1483826045000183
Energy: 1.1469998334440803
Energy: 1.1469719654675263
Energy: 1.144834450833139
Energy: 1.1473356333759557
Energy: 1.111202749256181
Energy: 1.1482781585568267
Energy: 1.171359035424727
Energy: 1.1116387454534604
Energy: 1.2118690831371157
Energy: 1.1503618499839117
Energy: 1.1120186520031317
Energy: 1.1135431301206635
Energy: 1.1637486849174719
Energy: 1.1112464684382681
Energy: 1.1455163776659967
Energy: 1.2286642480470447
Energy: 1.1144325454629467
Energy: 1.145582328726843
Energy: 1.2289791562182684
Energy: 1.1147658854343658
Energy: 1.1483218230358903
Energy: 1.1119951248663762
Energy: 1.1126142528825695
Energy: 1.1498143533321776
Energy: 1.1743306314948851
Energy: 1.1455314208985279
Energy: 1.284394161852643
Energy: 1.1139118620996993
Energy: 1.1102077386989118
Energy: 1.0912659720954463
Energy: 1.1628433398120268
Energy: 1.109637895458325
Energy: 1.2124506011741376
Energy: 1.1537625898510415
Energy: 1.1168276751869664
Energy: 1.1132119071274105
Energy: 1.146856211415984
Energy: 1.1103519319492121
Energy: 1.3001708741116855
Energy: 1.1176181891189105
Energy: 1.133578585946678
Energy: 1.231540570748621
Energy: 1.086618630494468
Energy: 1.2262674325778133
Energy: 1.3592721469683138
Energy: 1.0864895697796353
Energy: 1.0861862490541325
Energy: 1.3588572433100476
Energy: 1.085981514207199
Energy: 1.1657226156858629
Energy: 1.3700029628405066
Energy: 1.2879867717113034
Energy: 1.1339589975461006
Energy: 1.1728795327290198
Energy: 1.2705427854919529
Energy: 1.229917079948421
Energy: 1.0843675621840196
Energy: 1.1481296212568193
Energy: 1.086229898506966
Energy: 1.091792390065972
Energy: 1.1466708699425168
Energy: 1.0872190394181547

minimum gb energy = 1.0843675621840196 eV
minimum distance =  2.30761268387376 Angstroms
sigma value = 11


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

Energy: 1.9311046049028946
Energy: 1.341520214574145
Energy: 1.37113109046668
Energy: 1.3613470636178406
Energy: 1.4826526924010874
Energy: 1.3302513646232235
Energy: 1.4330875260160296
Energy: 1.3111566785193176
Energy: 1.3326551233351982
Energy: 1.3630103368686604
Energy: 1.3101078959874517
Energy: 1.288397670489508
Energy: 1.4919166279628897
Energy: 1.3182446009785218
Energy: 1.323924194853026
Energy: 1.4261923890249533
Energy: 1.3175514509750155
Energy: 1.324792720370109
Energy: 1.3970128283002057
Energy: 1.2834074740496464
Energy: 1.2905780334972468
Energy: 1.344766966797348
Energy: 1.283416580894526
Energy: 1.2902253569711473
Energy: 1.361954181075828
Energy: 1.3120625299542168
Energy: 1.3064147607494274
Energy: 1.3401547461930983
Energy: 1.3103380826034274
Energy: 1.3516880130385853
Energy: 1.4058979231302122
Energy: 1.3184638110156441
Energy: 1.3282986851876077
Energy: 1.3464048942125053
Energy: 1.3162563105857987
Energy: 1.3294464424950225
Energy: 1.3140711780065226
Energy: 1.3294783683294384
Energy: 1.33002261674706
Energy: 1.3143504883753352
Energy: 1.3296979217470268
Energy: 1.323661952609585
Energy: 1.314215876966553
Energy: 1.3512471040415335
Energy: 1.343213624492597
Energy: 1.3089559805529343
Energy: 1.3647248977653588
Energy: 1.333487122011545
Energy: 1.300412481927834
Energy: 1.3419852553392992
Energy: 1.3280448516979535
Energy: 1.2749714143962327
Energy: 1.3433083880368983
Energy: 1.2883739014743798
Energy: 1.3680986207674106
Energy: 1.3431157150780617
Energy: 1.326535634556473
Energy: 1.275838952927066
Energy: 1.342629720844597
Energy: 1.2889332945431538
Energy: 1.3141562847263277
Energy: 1.3555946553889064
Energy: 1.3440494350555794
Energy: 1.3084321928406095
Energy: 1.3327873462930477
Energy: 1.3333433232530092
Energy: 1.3059291827860238
Energy: 1.298940003880705
Energy: 1.2781039971498298
Energy: 1.3073790134259042
Energy: 1.33846276191748
Energy: 1.3447324223860257
Energy: 1.3019926958052885
Energy: 1.3381691132014664
Energy: 1.336414074308873
Energy: 1.3026816645851595
Energy: 1.336636542855522
Energy: 1.2891683604361317
Energy: 1.3556033901718532
Energy: 1.33217654995458
Energy: 1.3410404560312803
Energy: 1.3241629789982114
Energy: 1.3744212998704302
Energy: 1.3371208763704092
Energy: 1.2882041083016067
Energy: 1.337586005428703
Energy: 1.3358202275850297
Energy: 1.305922675120511
Energy: 1.336762134201289
Energy: 1.2891021604102193
Energy: 1.289658022217658
Energy: 1.3374209309327392
Energy: 1.3340581551902384
Energy: 1.2910805306902977
Energy: 1.3390477282906144
Energy: 1.3221213310474653
Energy: 1.28677044767003
Energy: 1.3358084123835572
Energy: 1.3411120328167714
Energy: 1.308208905407556
Energy: 1.3281488107589325
Energy: 1.3267581679783742
Energy: 1.3754588379284673
Energy: 1.3595299924658932
Energy: 1.3539882739509177
Energy: 1.3220498977568478
Energy: 1.356685104633476
Energy: 1.3213919224859714
Energy: 1.3328373718149407
Energy: 1.3421431579227547
Energy: 1.3380600610344606
Energy: 1.3364619238005697
Energy: 1.3395579446381076
Energy: 1.3363462542706823
Energy: 1.3633364902207215
Energy: 1.284416672948288
Energy: 1.2835236939767465
Energy: 1.325744913284644
Energy: 1.2842658275642787
Energy: 1.3267590889230771
Energy: 1.3870583170731363
Energy: 1.2841226526286096
Energy: 1.3194383124006321
Energy: 1.3272566075265786
Energy: 1.2850099068482679
Energy: 1.3496386592821161
Energy: 1.3099717909029638
Energy: 1.3418701077245792
Energy: 1.3409751145717193
Energy: 1.3370510129869602
Energy: 1.327312764708338
Energy: 1.3359575114654447
Energy: 1.2951440630537538
Energy: 1.3312364782486308
Energy: 1.2878145691205134
Energy: 1.3154288077435004
Energy: 1.3268432279001585
Energy: 1.2884484302580579
Energy: 1.3874062936007592
Energy: 1.3463774697125066
Energy: 1.3282127401483637
Energy: 1.3410196304863524
Energy: 1.3371333122713849
Energy: 1.336797593624204
Energy: 1.3890443569683464
Energy: 1.3301977528437963
Energy: 1.3308506057022855
Energy: 1.389996511842807
Energy: 1.3262691530159303
Energy: 1.330013722692296
Energy: 1.4101613230845116
Energy: 1.3176148378649584
Energy: 1.3049214224091852
Energy: 1.338893947090043
Energy: 1.3174219424340063
Energy: 1.3277664966863554
Energy: 1.383850033750615
Energy: 1.2888768448453658
Energy: 1.2895054543383713
Energy: 1.3395209848184384
Energy: 1.2904890469824282
Energy: 1.289414470700879
Energy: 1.3848595792544764
Energy: 1.3605138028945836
Energy: 1.290008617876586
Energy: 1.336775178525057
Energy: 1.3054559083117956
Energy: 1.3347087185006496
Energy: 1.4921735429707528
Energy: 1.331313619509397
Energy: 1.334173611634926
Energy: 1.4919234375644725
Energy: 1.3136904099467026
Energy: 1.3325102915005285
Energy: 1.4909932642084913
Energy: 1.3177049199469708
Energy: 1.2892418672969401
Energy: 1.3380830921964897
Energy: 1.3045261695380508
Energy: 1.3338901499727394
Energy: 1.3784820058516891
Energy: 1.3127668260055245
Energy: 1.3348643770944506
Energy: 1.2814519656453283
Energy: 1.3106047100195664
Energy: 1.276672247019079

minimum gb energy = 1.2749714143962327 eV
minimum distance =  2.28224760598931 Angstroms
sigma value = 57


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

Energy: 1.7215438863321533
Energy: 1.4655023549251853
Energy: 1.4662988409757878
Energy: 1.465244288533869
Energy: 1.8481317086962863
Energy: 1.4703852521218093
Energy: 1.3050562789795834
Energy: 1.354696909393035
Energy: 1.356189319571839
Energy: 1.3566236176863904
Energy: 1.3538778071038824
Energy: 1.358885147650334
Energy: 1.407050302082493
Energy: 1.3834070286550701
Energy: 1.4009802013210257
Energy: 1.398561822475627
Energy: 1.3861567069268572
Energy: 1.3576821381176836
Energy: 1.3352211765042972
Energy: 1.3599145846414478
Energy: 1.3580389368457633
Energy: 1.3496547306075992
Energy: 1.3306185275112188
Energy: 1.3556998740864348
Energy: 1.3487059054388177
Energy: 1.3602328150013987
Energy: 1.3586938243067666
Energy: 1.3551213405128213
Energy: 1.353807257259099
Energy: 1.3584668732924519
Energy: 1.4010446368594924
Energy: 1.410271228614143
Energy: 1.4117327524918588
Energy: 1.3578429059379753
Energy: 1.4183228533067593
Energy: 1.4136107433881953
Energy: 1.4102766955352204
Energy: 1.3579814176864546
Energy: 1.3602953319373117
Energy: 1.4114083735875624
Energy: 1.3490995819096598
Energy: 1.4242089672862985
Energy: 1.405789667723824
Energy: 1.3579831828105824
Energy: 1.359203182383222
Energy: 1.3499201954619
Energy: 1.3533959553982442
Energy: 1.3579552595620854
Energy: 1.3054226689419954
Energy: 1.3586884121531093
Energy: 1.461207409319634
Energy: 1.3119908659126451
Energy: 1.3510027871212817
Energy: 1.331658185768782
Energy: 1.3055160313474383
Energy: 1.3589499610452078
Energy: 1.3345691511312716
Energy: 1.3101229640246048
Energy: 1.3994514200145818
Energy: 1.3299709179664068
Energy: 1.4056556397171696
Energy: 1.3581480917790045
Energy: 1.361403451789204
Energy: 1.3504540611825937
Energy: 1.3555141623123832
Energy: 1.3586465166878683
Energy: 1.3991364698375999
Energy: 1.4086235393295254
Energy: 1.4111098738266845
Energy: 1.3971724344656276
Energy: 1.4097323371067898
Energy: 1.3571549086604557
Energy: 1.3517276858736353
Energy: 1.3571080734269325
Energy: 1.3579584118733257
Energy: 1.3569084477487139
Energy: 1.3532765702608596
Energy: 1.3572135799817628
Energy: 1.514738450493468
Energy: 1.4112025622136943
Energy: 1.4118641067546578
Energy: 1.3540848298862567
Energy: 1.414535389579637
Energy: 1.4134138504162257
Energy: 1.3511040882953111
Energy: 1.304797053162684
Energy: 1.3583838220596158
Energy: 1.3868640681230067
Energy: 1.328542195842525
Energy: 1.3581006492205072
Energy: 1.4071702166603366
Energy: 1.329904784649734
Energy: 1.306213876493998
Energy: 1.3982561193103547
Energy: 1.353144250135277
Energy: 1.3578128261944513
Energy: 1.3051831147795143
Energy: 1.3541712007087856
Energy: 1.3553262351973407
Energy: 1.3272423553904729
Energy: 1.3556986521361012
Energy: 1.358989746878848

minimum gb energy = 1.304797053162684 eV
minimum distance =  2.28291465553099 Angstroms
sigma value = 9


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

Energy: 2.0796490876854805
Energy: 1.550969718618676
Energy: 1.4379130053380078
Energy: 1.4355233571796007
Energy: 1.4677514571872536
Energy: 1.435641943506888
Energy: 1.5949340034138653
Energy: 1.3857174186823886
Energy: 1.4000147170098112
Energy: 1.3920684441730633
Energy: 1.3930170954372207
Energy: 1.3988823597648778
Energy: 1.5156420754435922
Energy: 1.4321384060012938
Energy: 1.4013849029690264
Energy: 1.43396418932005
Energy: 1.435488076797055
Energy: 1.4007446310123621
Energy: 1.4522917028162163
Energy: 1.4040185591459693
Energy: 1.4148702451180448
Energy: 1.4164370029468978
Energy: 1.4039384841984375
Energy: 1.4143220760276183
Energy: 1.4199544742950545
Energy: 1.3890431411375048
Energy: 1.3850820178985281
Energy: 1.3840080965898371
Energy: 1.3954954092115215
Energy: 1.3845369702651908
Energy: 1.4232368446969252
Energy: 1.4035267914414051
Energy: 1.403812662659306
Energy: 1.3964390333176286
Energy: 1.4002434582003607
Energy: 1.4034562601993026
Energy: 1.431414953022679
Energy: 1.459413611821672
Energy: 1.4011085511200716
Energy: 1.3943753768792584
Energy: 1.4620276243016332
Energy: 1.4017826283003263
Energy: 1.4734839633952317
Energy: 1.4078163598641587
Energy: 1.3961778181181068
Energy: 1.3872538672429255
Energy: 1.421197412792651
Energy: 1.394432119520662
Energy: 1.5808708119161254
Energy: 1.389829736520606
Energy: 1.3869976839973808
Energy: 1.400783739276496
Energy: 1.3953162626954023
Energy: 1.3987867028695142
Energy: 1.5816430192294588
Energy: 1.3906886795439417
Energy: 1.3883712521532878
Energy: 1.4028438796300071
Energy: 1.38949518764672
Energy: 1.3879940260431025
Energy: 1.473945566440424
Energy: 1.3844002926397108
Energy: 1.3832019062409353
Energy: 1.3904827206597388
Energy: 1.384427619659483
Energy: 1.38345107702228
Energy: 1.471878210967764
Energy: 1.399710603784839
Energy: 1.3981024142493064
Energy: 1.3900901569488406
Energy: 1.4026407438881165
Energy: 1.3923113405932772
Energy: 1.5728218922250363
Energy: 1.4000768611305254
Energy: 1.4000634825371054
Energy: 1.3630024674801806
Energy: 1.3978030622289095
Energy: 1.3623960072639465
Energy: 1.6195489096979798
Energy: 1.4093727848555142
Energy: 1.4104672156470617
Energy: 1.4015187054544715
Energy: 1.4075729031733788
Energy: 1.4089331214025187
Energy: 1.4699185323514106
Energy: 1.381588608174759
Energy: 1.3813867364612222
Energy: 1.3907776019569267
Energy: 1.3810122283300494
Energy: 1.388552007598179
Energy: 1.4538931808494322
Energy: 1.396563025563504
Energy: 1.456921672203302
Energy: 1.4326147162367857
Energy: 1.4358632916472005
Energy: 1.4628324428610682
Energy: 1.5020345351911912
Energy: 1.4153778824533025
Energy: 1.4120087252523348
Energy: 1.4056981613414927
Energy: 1.4147895236040744
Energy: 1.4111037795380437
Energy: 1.4973581401682161
Energy: 1.4439096440220642
Energy: 1.4399868057656806
Energy: 1.4393058327031583
Energy: 1.449928893829957
Energy: 1.4386537042213918
Energy: 1.5121338647760545
Energy: 1.4055095619431162
Energy: 1.403367678761148
Energy: 1.3847949588396826
Energy: 1.4064874188024217
Energy: 1.4028176172350182
Energy: 1.5155328817979359
Energy: 1.4071426188059537
Energy: 1.4050474743901
Energy: 1.404881643183839
Energy: 1.3921131505672657
Energy: 1.4039943440898979
Energy: 1.5556229741815235
Energy: 1.3851566934844421
Energy: 1.3863295249347847
Energy: 1.4156970332733456
Energy: 1.3946042632761826
Energy: 1.3845643412949562

minimum gb energy = 1.3623960072639465 eV
minimum distance =  2.22066982884021 Angstroms
sigma value = 27


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

Energy: 1.4865025931929194
Energy: 1.3536755191448615
Energy: 1.3237932209931442
Energy: 1.3189203971625882
Energy: 1.9598532299081561
Energy: 1.3216342765419733
Energy: 1.3867369764425674
Energy: 1.359826152751955
Energy: 1.3597284882206402
Energy: 1.3405259158715714
Energy: 1.3651638280128666
Energy: 1.36035758030445
Energy: 1.488627730181347
Energy: 1.3330101727090335
Energy: 1.3663901575893551
Energy: 1.3570249589448247
Energy: 1.319540716425868
Energy: 1.3568858054288906
Energy: 1.4724541055328435
Energy: 1.3423690780705382
Energy: 1.340683650617226
Energy: 1.3405433848613484
Energy: 1.3368924864813423
Energy: 1.3391331359787697
Energy: 1.3191253577922664
Energy: 1.331931892263962
Energy: 1.3324600635993717
Energy: 1.319151138548235
Energy: 1.3326926256337945
Energy: 1.3334391699491204
Energy: 1.4059263967703226
Energy: 1.331687256473936
Energy: 1.3318826587587684
Energy: 1.3325155161849866
Energy: 1.3335318693846359
Energy: 1.3328692646053386
Energy: 1.4716764947955616
Energy: 1.270611443509061
Energy: 1.2714148243635788
Energy: 1.332875983278076
Energy: 1.2689475364098783
Energy: 1.2724908182525603
Energy: 1.4613342920133476
Energy: 1.2672645027194456
Energy: 1.334169755997117
Energy: 1.3497221984606307
Energy: 1.2667877115087707
Energy: 1.3350406242607915
Energy: 1.6095114607595877
Energy: 1.3337242185086042
Energy: 1.3384158030812572
Energy: 1.3329172013885588
Energy: 1.3331777267847587
Energy: 1.3349228734596632
Energy: 1.6100522069655259
Energy: 1.3629737827843063
Energy: 1.363278424314816
Energy: 1.359027584003946
Energy: 1.3590717360629405
Energy: 1.3596740484523788
Energy: 1.4650305385947424
Energy: 1.3472681368918544
Energy: 1.34733323044171
Energy: 1.372760438337008
Energy: 1.3370700234542525
Energy: 1.3336881845864852
Energy: 1.4999637237194796
Energy: 1.3428405333888407
Energy: 1.342157010357019
Energy: 1.3447130332849984
Energy: 1.3423011900837436
Energy: 1.342674583703153
Energy: 1.2648319449879009
Energy: 1.3432501732050721
Energy: 1.2675809103976272
Energy: 1.2684150466657882
Energy: 1.3453255099788917
Energy: 1.2676211186276125
Energy: 1.265845367686163
Energy: 1.3420802056923782
Energy: 1.3412803265095774
Energy: 1.2665340577924065
Energy: 1.3423745826303441
Energy: 1.2674452845766029
Energy: 1.500276298854415
Energy: 1.3402500060689984
Energy: 1.3427064338460164
Energy: 1.3446095041961998
Energy: 1.3402170655925036
Energy: 1.3471455679717903
Energy: 1.4751525245841568
Energy: 1.3578664415706734
Energy: 1.3586081736215536
Energy: 1.3777152304476306
Energy: 1.3586218770338552
Energy: 1.3601344298137867
Energy: 1.3196428344568572
Energy: 1.3646404393485205
Energy: 1.3629184087844066
Energy: 1.337745567170342
Energy: 1.3601407787452588
Energy: 1.3614511864853
Energy: 1.39488821894398
Energy: 1.3334673702545765
Energy: 1.3383204281519239
Energy: 1.3351256141163383
Energy: 1.3333291284090858
Energy: 1.3349515321804657
Energy: 1.4621444395279815
Energy: 1.2666370928963724
Energy: 1.2670716177565988
Energy: 1.3599341392411277
Energy: 1.267015652330115
Energy: 1.2676777280764904
Energy: 1.4727390816607535
Energy: 1.2666606527759983
Energy: 1.26701782263597
Energy: 1.330387494805486
Energy: 1.2670317463407914
Energy: 1.2677637339947694
Energy: 1.5977279447760668
Energy: 1.3342869797469703
Energy: 1.3392304422448897
Energy: 1.3337080822211325
Energy: 1.334164014936415
Energy: 1.336602123031042
Energy: 1.3231168824906512
Energy: 1.3748687735207434
Energy: 1.3782014105451563
Energy: 1.3201724592069697
Energy: 1.373546235375408
Energy: 1.372484809615684
Energy: 1.4884931494735567
Energy: 1.3779882120233704
Energy: 1.3873543284657415
Energy: 1.3889341848469738
Energy: 1.3783444985618414
Energy: 1.387574467539843
Energy: 1.4882032161883074
Energy: 1.3592805292366066
Energy: 1.3556878905299208
Energy: 1.3623101715827322
Energy: 1.3611425681905993
Energy: 1.3543476078373022
Energy: 1.3899380990380883
Energy: 1.4131598364582656
Energy: 1.41150160854607
Energy: 1.3207440451216355
Energy: 1.4179595756616754
Energy: 1.321144418509488

minimum gb energy = 1.2648319449879009 eV
minimum distance =  2.21635340682538 Angstroms
sigma value = 19


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

Energy: 2.0099533864413783
Energy: 1.2753348099609372
Energy: 1.2785615408539632
Energy: 1.299887404836844
Energy: 1.357074350387536
Energy: 1.2794363100420547
Energy: 1.5258355431263737
Energy: 1.296263308442658
Energy: 1.2972155038208384
Energy: 1.2939606563562698
Energy: 1.3355054310654284
Energy: 1.296821688370399
Energy: 1.463434442034513
Energy: 1.2977385140302973
Energy: 1.3002350863662089
Energy: 1.2957395811349686
Energy: 1.2964370913673517
Energy: 1.29794595585062
Energy: 1.4163782803686635
Energy: 1.2965560394097133
Energy: 1.297847089646932
Energy: 1.3336720754489169
Energy: 1.2956402822852553
Energy: 1.2988912304941416
Energy: 1.3045783901197627
Energy: 1.2970399068203533
Energy: 1.2974814016985097
Energy: 1.3030179609760368
Energy: 1.2955028962329602
Energy: 1.2983711939634024
Energy: 1.3416479637934893
Energy: 1.2992878090006739
Energy: 1.2985187404424299
Energy: 1.3145147416891776
Energy: 1.3007523500379028
Energy: 1.296653237199507
Energy: 1.3134563870589309
Energy: 1.2838140994475362
Energy: 1.321621128455369
Energy: 1.298663078148959
Energy: 1.2833882056071229
Energy: 1.319796291862428
Energy: 1.3399162696943316
Energy: 1.2891434356568985
Energy: 1.2966935005393097
Energy: 1.3590722106817277
Energy: 1.2880543448482573
Energy: 1.2974023101232104
Energy: 1.2888549230986115
Energy: 1.2980282657587543
Energy: 1.2972378708959458
Energy: 1.2942832439805885
Energy: 1.2986670067980701
Energy: 1.2963941367762064
Energy: 1.2899837690429505
Energy: 1.2939224778096685
Energy: 1.2979174467933474
Energy: 1.294978218384238
Energy: 1.2971965296089516
Energy: 1.2992566259088043
Energy: 1.4808451686758315
Energy: 1.2770874967889
Energy: 1.280080943678377
Energy: 1.2854497526924777
Energy: 1.2753648445606987
Energy: 1.2761128512177449
Energy: 1.491459636640608
Energy: 1.275478894915406
Energy: 1.2766215519279347
Energy: 1.276975407640241
Energy: 1.2738743798789427
Energy: 1.2773342547217077
Energy: 1.3643343900470077
Energy: 1.2763347457881529
Energy: 1.3239969817263306
Energy: 1.2631256764867733
Energy: 1.3205432686077614
Energy: 1.2881939580177737
Energy: 1.4465135891115932
Energy: 1.2947591703336938
Energy: 1.2942650022630677
Energy: 1.267422523822524
Energy: 1.3452074029654733
Energy: 1.2971696217194668
Energy: 1.461063072918779
Energy: 1.2742745787385252
Energy: 1.275080155267649
Energy: 1.2763247207095143
Energy: 1.2734315336660398
Energy: 1.2758868350524826
Energy: 1.47363431136333
Energy: 1.2763405097993694
Energy: 1.2771387542213435
Energy: 1.2766410217043975
Energy: 1.2797903943555256
Energy: 1.2776341069607713
Energy: 1.3285953958866765
Energy: 1.2952056101885323
Energy: 1.3109331308521255
Energy: 1.2689417983144777
Energy: 1.361241122073348
Energy: 1.3106560464543155
Energy: 1.4061376860111803
Energy: 1.2755028919519142
Energy: 1.2759895059035204
Energy: 1.265626015280711
Energy: 1.275399238973176
Energy: 1.2765775150242844
Energy: 1.422479534164942
Energy: 1.2679232040880801
Energy: 1.2692412080977509
Energy: 1.3129009815781063
Energy: 1.2670240721511354
Energy: 1.2754694312038641
Energy: 1.3459967382622997
Energy: 1.2677990054188415
Energy: 1.2689434839242149
Energy: 1.3592118328482126
Energy: 1.2669246905811031
Energy: 1.275328892701981
Energy: 1.2819357137928107
Energy: 1.27568813728857
Energy: 1.2760428345265669
Energy: 1.2751329229691808
Energy: 1.275800006353769
Energy: 1.2761878953028727
Energy: 1.2672214134497888
Energy: 1.2779354935862826
Energy: 1.2775257454070268
Energy: 1.2727776545579979
Energy: 1.2776219476792978
Energy: 1.2765323422744594
Energy: 1.4052931143458882
Energy: 1.2652216347363807
Energy: 1.3684760945146393
Energy: 1.359575984140764
Energy: 1.2625578887020246
Energy: 1.3314264583133888
Energy: 1.4229809411677834
Energy: 1.2613257588515274
Energy: 1.276727111134243
Energy: 1.3791606849878522
Energy: 1.2602735915409482
Energy: 1.2757826367145044
Energy: 1.3694127821426736
Energy: 1.2763718096347212
Energy: 1.276035910097501
Energy: 1.2728447417533348
Energy: 1.2762159484592788
Energy: 1.275552913920356
Energy: 1.3179285528354405
Energy: 1.2967220440172933
Energy: 1.2981428606124825
Energy: 1.2865653396860368
Energy: 1.2976510501335694
Energy: 1.2979244059817505
Energy: 1.463328314309552
Energy: 1.2971469252047474
Energy: 1.2986686678358998
Energy: 1.2973490194046602
Energy: 1.295615623123871
Energy: 1.2972272023892693
Energy: 1.4632348692870358
Energy: 1.2957392429397518
Energy: 1.2964687725255901
Energy: 1.2992104646980795
Energy: 1.294881839806967
Energy: 1.2973269787994024
Energy: 1.3985157157107795
Energy: 1.3908547294378157
Energy: 1.2972334637185121
Energy: 1.2576069516439017
Energy: 1.3968762139495774
Energy: 1.2702725923454568

minimum gb energy = 1.2576069516439017 eV
minimum distance =  2.20762046079984 Angstroms
sigma value = 101


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

Energy: 1.8272931684744427
Energy: 1.2375201571702803
Energy: 1.2376787406275656
Energy: 1.2767619424364054
Energy: 1.2276460542783478
Energy: 1.1963117084030752
Energy: 1.444912103558146
Energy: 1.256507666178454
Energy: 1.2310737670419203
Energy: 1.2297848962138225
Energy: 1.2426235851973253
Energy: 1.2322316662876043
Energy: 1.4566553623852054
Energy: 1.2334379485913505
Energy: 1.238470292961625
Energy: 1.2790446409645218
Energy: 1.2298396078721918
Energy: 1.2287267028613933
Energy: 1.311222578098512
Energy: 1.2306871480191977
Energy: 1.232134297723495
Energy: 1.2311526039431058
Energy: 1.2293011048189484
Energy: 1.2323539107935422
Energy: 1.237679774125572
Energy: 1.2743615110727482
Energy: 1.2307856136384518
Energy: 1.2371307299606922
Energy: 1.2740069232905276
Energy: 1.245799953292974
Energy: 1.2642841647612388
Energy: 1.232796365835688
Energy: 1.2586514427639657
Energy: 1.2394594912730421
Energy: 1.2363149580825796
Energy: 1.2315675386835643
Energy: 1.2647646992126302
Energy: 1.2224621427892277
Energy: 1.2167698497187698
Energy: 1.2880064204891288
Energy: 1.2192634713391948
Energy: 1.2166182515024722
Energy: 1.219341499593314
Energy: 1.2329511663369224
Energy: 1.2334510672192691
Energy: 1.2286572535923053
Energy: 1.2173404699656112
Energy: 1.2331169824732535
Energy: 1.220768862674797
Energy: 1.230610626567208
Energy: 1.230083820032619
Energy: 1.2306465595455591
Energy: 1.231412802030433
Energy: 1.2431088229922969
Energy: 1.2195860625201447
Energy: 1.2320757137862188
Energy: 1.232172508141794
Energy: 1.2283624437352676
Energy: 1.2856077230505187
Energy: 1.2314859630135986
Energy: 1.42637715999506
Energy: 1.2083873515797057
Energy: 1.2132166812863554
Energy: 1.2737592382621137
Energy: 1.205402424252322
Energy: 1.2032104666251608
Energy: 1.4537518539642766
Energy: 1.227569562592591
Energy: 1.2285430037749256
Energy: 1.229819161989711
Energy: 1.2317319495973065
Energy: 1.2292405765504104
Energy: 1.2687182261382428
Energy: 1.2300527350527921
Energy: 1.22943251160319
Energy: 1.2160222503426845
Energy: 1.2808356454585785
Energy: 1.2296452368957076
Energy: 1.306554601065995
Energy: 1.2316572864474788
Energy: 1.2280894535755884
Energy: 1.216242120178229
Energy: 1.2590152678058526
Energy: 1.2273570955585222
Energy: 1.4584301722089685
Energy: 1.2301907513883403
Energy: 1.23635363095856
Energy: 1.2296500166747555
Energy: 1.226577706640038
Energy: 1.2301808146678799
Energy: 1.4568762254191054
Energy: 1.231477317083397
Energy: 1.2323261206308163
Energy: 1.2280317552191453
Energy: 1.24262687398581
Energy: 1.233950263593091
Energy: 1.2929462374638099
Energy: 1.3344372371923363
Energy: 1.2390607859669396
Energy: 1.1923316694790405
Energy: 1.2325713636043942
Energy: 1.1903591538119072
Energy: 1.4499404081568172
Energy: 1.233498252753633
Energy: 1.2307768451751884
Energy: 1.236712029399086
Energy: 1.277331297630607
Energy: 1.2384424871453286
Energy: 1.493346834487386
Energy: 1.2300398229200369
Energy: 1.2314248298305073
Energy: 1.2313057639766565
Energy: 1.228937831602024
Energy: 1.2313391009273078
Energy: 1.423724757067484
Energy: 1.2307407761670257
Energy: 1.232072496510404
Energy: 1.2310438412923355
Energy: 1.229418478318126
Energy: 1.2329642966080179
Energy: 1.2374368775210436
Energy: 1.2311109907035112
Energy: 1.230500796633667
Energy: 1.2410850707971373
Energy: 1.2285294691019897
Energy: 1.2369581799775216
Energy: 1.3099995618351814
Energy: 1.2361278990962676
Energy: 1.2357323721595286
Energy: 1.2411206730824458
Energy: 1.2370599933063688
Energy: 1.2345313762665686
Energy: 1.4231180233857423
Energy: 1.28046887732697
Energy: 1.2179062583359073
Energy: 1.2678499178944174
Energy: 1.2186038374715586
Energy: 1.2151621275453295
Energy: 1.3183063361351484
Energy: 1.2179073523201895
Energy: 1.2181725366784018
Energy: 1.2796312684633595
Energy: 1.2169269473772975
Energy: 1.2307532930947656
Energy: 1.2321344825131852
Energy: 1.2323345821264733
Energy: 1.2327368860937036
Energy: 1.2281331590174531
Energy: 1.2325544698537865
Energy: 1.2319947367286792
Energy: 1.2217117035210499
Energy: 1.2306961043199827
Energy: 1.230328623389082
Energy: 1.2294764089095525
Energy: 1.2299822928154585
Energy: 1.2291256628932237
Energy: 1.3164434833285954
Energy: 1.2072987259168906
Energy: 1.2043806878373775
Energy: 1.2814758473476897
Energy: 1.2067265235586397
Energy: 1.2048300959244067
Energy: 1.4544806631275136
Energy: 1.2025437177967344
Energy: 1.2048972019521702
Energy: 1.2275231933633095
Energy: 1.2006055534377233
Energy: 1.2271247008689823
Energy: 1.2690901745811969
Energy: 1.2301298017597355
Energy: 1.2268549641834783
Energy: 1.2152955460519446
Energy: 1.2581830332379018
Energy: 1.2271426643317198
Energy: 1.2702719418056962
Energy: 1.2571752832851408
Energy: 1.2572696848853602
Energy: 1.215125780182121
Energy: 1.2587568759637262
Energy: 1.2298959724038654
Energy: 1.458155813157261
Energy: 1.2278076506422941
Energy: 1.2282813970992414
Energy: 1.2290586703074364
Energy: 1.2274364915845726
Energy: 1.2285472415043865
Energy: 1.4553161359282814
Energy: 1.2297804495901887
Energy: 1.2306768058062796
Energy: 1.2326814838310116
Energy: 1.22928442554263
Energy: 1.2314929039836955
Energy: 1.2948899584272715
Energy: 1.2741109056501836
Energy: 1.236972491937257
Energy: 1.192579534403008
Energy: 1.2317905823462054
Energy: 1.2377669667793467

minimum gb energy = 1.1903591538119072 eV
minimum distance =  2.20714882441997 Angstroms
sigma value = 33


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

Energy: 0.02035687891019327
Energy: 0.02139115835538223
Energy: 0.02140464414580457
Energy: 0.022954540492647366
Energy: 1.0601591716291054
Energy: 0.02102697773480675
Energy: 0.021103005711822005
Energy: 0.16872432409160343
Energy: 0.16615759553437984
Energy: 0.16887999825287178
Energy: 0.1688481106111283
Energy: 0.1662842432120949
Energy: 1.6188670281432227
Energy: 1.0623771358093919
Energy: 1.0598124760222725
Energy: 1.0618998567261297
Energy: 1.0605489084252855
Energy: 1.0599597489909132
Energy: 0.7243548333425287
Energy: 0.168724324092487
Energy: 0.16615759553573117
Energy: 0.16887999825193625
Energy: 0.16884811061066052
Energy: 0.16628424321115937

minimum gb energy = 0.02035687891019327 eV
minimum distance =  2.45569464666204 Angstroms
sigma value = 1