Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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=3.518474650382997
cohesive_energy=4.34606645024629
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=[3.9172417612983e-19, 4.404928306921559e-19, 4.73504078059092e-19, 5.0180973265197e-19, 5.24025513859014e-19, 5.40324456756696e-19, 5.5284706932804e-19, 5.636409333112979e-19, 5.7416402944341e-19, 5.849675064864719e-19, 5.96096225386236e-19, 6.07582229675382e-19, 6.19555295661264e-19, 6.317991294982919e-19, 6.43487008043322e-19, 6.533243725760819e-19, 6.606238893205859e-19, 6.661578074144219e-19, 6.719496759463319e-19, 6.79894869874338e-19, 6.883046950262039e-19, 6.93696019399614e-19, 6.9579326861352e-19, 6.962611041906479e-19, 6.958156990863959e-19, 6.943529118195539e-19, 6.916676637809699e-19, 6.87535650241884e-19, 6.81714942530562e-19, 6.7393317061922395e-19, 6.638907274773119e-19, 6.512383385986139e-19, 6.35537007585414e-19, 6.16208348672838e-19, 5.92443262660716e-19, 5.631955282070459e-19, 5.27279534602668e-19, 4.82865596131554e-19, 4.2673173558273e-19, 3.5353629605843995e-19, 2.5374472440975e-19, 1.077627208381668e-19, -1.0862405099660518e-19, -4.3334231637461397e-19, -9.29129467059378e-19]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017693150644535725
Energy: 0.018020527903108124
Energy: 0.01826063010490594
Energy: 0.018015847349786996
Energy: 0.6739989071400405
Energy: 0.018140894283700942
Energy: 0.01802052790667612
Energy: 0.14562115745764243
Energy: 0.14578991677538192
Energy: 0.14549531694163803
Energy: 0.14554703640863145
Energy: 0.14578679863519914
Energy: 0.018260630098432054
Energy: 0.1457899167727703
Energy: 0.14703578598008266
Energy: 0.018198357437183458
Energy: 0.14557922929949424
Energy: 0.14634753440446893
Energy: 0.018015847350118044
Energy: 0.14549531694292547
Energy: 0.018198357434939662
Energy: 0.01801054413492958
Energy: 0.14557162539849883
Energy: 0.018174369352646085
Energy: 0.6739989071436084
Energy: 0.14554703640539451
Energy: 0.14557922930857978
Energy: 0.1455716254030232
Energy: 0.14539017045453373
Energy: 0.1457284752035147
Energy: 0.018140894288225313
Energy: 0.14578679863133687
Energy: 0.1463475344041747
Energy: 0.018174369348452773
Energy: 0.1457284752022273
Energy: 0.01804391860904061

minimum gb energy = 0.017693150644535725 eV
minimum distance =  2.48537659136452 Angstroms
sigma value = 1


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

Energy: 1.7226520610748963
Energy: 1.1688760784105645
Energy: 1.2223965382133297
Energy: 1.2128714034165002
Energy: 1.8093074612864968
Energy: 1.243201606607504
Energy: 1.7173536556198514
Energy: 1.1724598688971943
Energy: 1.1633187446165896
Energy: 1.1420433597415252
Energy: 1.1848541422552072
Energy: 1.1637604189255841
Energy: 1.6470248422287448
Energy: 1.2077973241898863
Energy: 1.1808421143139467
Energy: 1.1562999702104628
Energy: 1.2068772275304427
Energy: 1.1858771148360463
Energy: 1.6069370912191603
Energy: 1.1564039009236011
Energy: 1.172065831165653
Energy: 1.1712577680130194
Energy: 1.1575428348562138
Energy: 1.1718654146453784
Energy: 1.6141813506838965
Energy: 1.1597750624145748
Energy: 1.1583034322022918
Energy: 1.157361023737338
Energy: 1.171664201230494
Energy: 1.156478356962341
Energy: 1.5845129013541543
Energy: 1.1737458192996917
Energy: 1.1643752392344178
Energy: 1.158671982057783
Energy: 1.1715688559276687
Energy: 1.165376682221466
Energy: 1.585598240504651
Energy: 1.1645221224907576
Energy: 1.1646127265766884
Energy: 1.1638755107535128
Energy: 1.1648780378966355
Energy: 1.1650480149895308
Energy: 1.6354606725496525
Energy: 1.1545981104824863
Energy: 1.1548268490472207
Energy: 1.119525639774643
Energy: 1.154267861156788
Energy: 1.1663408869302825
Energy: 1.2594173339603427
Energy: 1.160977689524692
Energy: 1.1582188860481177
Energy: 1.1712474235542507
Energy: 1.157703416945239
Energy: 1.1625061537306236
Energy: 1.258317782461757
Energy: 1.1596366429416498
Energy: 1.1587944220414772
Energy: 1.1711019594063015
Energy: 1.1572610614805978
Energy: 1.1597577779870762
Energy: 1.4546352451359428
Energy: 1.163071622097828
Energy: 1.1632153195393704
Energy: 1.2127845596159923
Energy: 1.1627609625725905
Energy: 1.177452815445445
Energy: 1.235153774931409
Energy: 1.155480880365814
Energy: 1.185754194347445
Energy: 1.1813920562489937
Energy: 1.154217674982845
Energy: 1.1859223455065664
Energy: 1.2414810677440549
Energy: 1.1557455327699704
Energy: 1.1559772150761762
Energy: 1.1383231979860038
Energy: 1.1624362357287394
Energy: 1.1573882972129694
Energy: 1.301218968290374
Energy: 1.1714520996769646
Energy: 1.1715962497831525
Energy: 1.215373748756389
Energy: 1.1714382349085644
Energy: 1.1707767462287224
Energy: 1.2316275938281958
Energy: 1.1588339152939464
Energy: 1.1578618223331336
Energy: 1.207590355756463
Energy: 1.1573425499644157
Energy: 1.1578881314137286
Energy: 1.2323836253885085
Energy: 1.1849723441704985
Energy: 1.185484594880717
Energy: 1.2089292091885089
Energy: 1.157487221099651
Energy: 1.172291945101125
Energy: 1.382686896552125
Energy: 1.1617326249868745
Energy: 1.1626828374814966
Energy: 1.1878158590916335
Energy: 1.1619210261470365
Energy: 1.1581707849444483
Energy: 1.3856442905171835
Energy: 1.1598416637884665
Energy: 1.1579354947007756
Energy: 1.1580207486130123
Energy: 1.1595570659823968
Energy: 1.1580753973826734
Energy: 1.3840833031508375
Energy: 1.1598130053117386
Energy: 1.158818756583436
Energy: 1.1578713552141844
Energy: 1.157873875245528
Energy: 1.157750650559355
Energy: 1.596785964994738
Energy: 1.1599921510172115
Energy: 1.1583058713455283
Energy: 1.1577320308865462
Energy: 1.1581931412862487
Energy: 1.1570980851294586
Energy: 1.6839066849048745
Energy: 1.1731682648281971
Energy: 1.1653527996899864
Energy: 1.1641368031526305
Energy: 1.1731917005253005
Energy: 1.1646962172758257
Energy: 1.661581096145574
Energy: 1.209204475022384
Energy: 1.180645533422361
Energy: 1.1546116702909897
Energy: 1.2078921087512555
Energy: 1.1887629629835539
Energy: 1.7184177743158762
Energy: 1.159127658068562
Energy: 1.1616278629346795
Energy: 1.1544061875883045
Energy: 1.156638444956092
Energy: 1.15619678481571

minimum gb energy = 1.119525639774643 eV
minimum distance =  2.26955996892775 Angstroms
sigma value = 33


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

Energy: 2.162859282444437
Energy: 1.336252056699829
Energy: 1.197913474333084
Energy: 1.1980154505022558
Energy: 1.2167638500861169
Energy: 1.3336165946711833
Energy: 1.3055290837303186
Energy: 1.23394670552785
Energy: 1.225745463485765
Energy: 1.1923429126655396
Energy: 1.1953638819364394
Energy: 1.2206527487869643
Energy: 1.6871903448668357
Energy: 1.2055390025818584
Energy: 1.208555048702813
Energy: 1.2986538741346327
Energy: 1.2391268625453986
Energy: 1.2058957716763008
Energy: 1.7336478435687563
Energy: 1.4046990716961467
Energy: 1.2225318687269127
Energy: 1.274395944022193
Energy: 1.3209342674426374
Energy: 1.273934889888598
Energy: 1.3663548051752235
Energy: 1.4117581381497952
Energy: 1.2079281567992
Energy: 1.1968864007274105
Energy: 1.2266448383199198
Energy: 1.3984514161882147
Energy: 1.7726309598186512
Energy: 1.4394309425299652
Energy: 1.1904729819391902
Energy: 1.4075991428670147
Energy: 1.446681395293894
Energy: 1.2670014408660475
Energy: 1.7762219720008299
Energy: 1.4240395981140732
Energy: 1.4074279887366106
Energy: 1.2797837297570513
Energy: 1.2925581315238739
Energy: 1.2720823161332175
Energy: 1.2667105760860076
Energy: 1.3006345984101007
Energy: 1.2995814838012916
Energy: 1.2714132702168677
Energy: 1.3020311230423998
Energy: 1.3051316492884069
Energy: 1.328137077454819
Energy: 1.298477542054693
Energy: 1.265612074504329
Energy: 1.2694763318267661
Energy: 1.299156888902503
Energy: 1.2642417604365546
Energy: 1.3419134955896137
Energy: 1.2730784434367883
Energy: 1.2763302628471185
Energy: 1.245100326781031
Energy: 1.2512775726431964
Energy: 1.2578068542590808
Energy: 1.3620854751386084
Energy: 1.232095126461913
Energy: 1.2348509968185748
Energy: 1.281175776042296
Energy: 1.1539748548671545
Energy: 1.153150521761451
Energy: 1.2857949279570073
Energy: 1.2612482830559917
Energy: 1.272172023254526
Energy: 1.2852927702782058
Energy: 1.186753611080853
Energy: 1.2878778070324983
Energy: 1.2852885019524405
Energy: 1.4565058862965952
Energy: 1.270670484613933
Energy: 1.2839199365810026
Energy: 1.2661834667136405
Energy: 1.2666922475183127
Energy: 1.3850994141138455
Energy: 1.2740007527074768
Energy: 1.273759847679425
Energy: 1.427169251711488
Energy: 1.2742510141641392
Energy: 1.2742241462333708
Energy: 1.2960557511333506
Energy: 1.41272509754473
Energy: 1.3956884275636128
Energy: 1.298023826729613
Energy: 1.2575481453981179
Energy: 1.2810368242394512
Energy: 1.4594503698012642
Energy: 1.4208100039230167
Energy: 1.4105782395290374
Energy: 1.442075358432847
Energy: 1.2693457204771172
Energy: 1.2696365321705867
Energy: 1.2493048348233753
Energy: 1.255790408315234
Energy: 1.415380786341457
Energy: 1.4127226774910757
Energy: 1.4163496352148857
Energy: 1.2524817569875624
Energy: 1.4528803823440157
Energy: 1.27656811614016
Energy: 1.4106915511666138
Energy: 1.3017680041556154
Energy: 1.3338383132560605
Energy: 1.3030312394398296
Energy: 1.452322258819789
Energy: 1.2672604569568044
Energy: 1.2680658634247597
Energy: 1.2990968038996176
Energy: 1.2856038136858032
Energy: 1.2709219282731132
Energy: 1.2608100708440866
Energy: 1.2706739278893573
Energy: 1.285648376046019
Energy: 1.4183068991690657
Energy: 1.283946153407273
Energy: 1.267468999255282
Energy: 1.2597104383807949
Energy: 1.2430269750512895
Energy: 1.2351880984446062
Energy: 1.2324309253492898
Energy: 1.2592294424500758
Energy: 1.1529509654344081
Energy: 1.1926120137883065
Energy: 1.2580333464376876
Energy: 1.2899625718990657
Energy: 1.257083937175401
Energy: 1.2909416838651502
Energy: 1.2606060742882919
Energy: 1.2504122945258693
Energy: 1.2873826383110707
Energy: 1.2483662301791607
Energy: 1.392579973894103
Energy: 1.2473021946774323
Energy: 1.2667948422308903
Energy: 1.752889556802289
Energy: 1.2979678849965823
Energy: 1.257212579614653
Energy: 1.2747004308913394
Energy: 1.2518716444387685
Energy: 1.2750093055382246
Energy: 1.2896080923049467
Energy: 1.3091739817942263
Energy: 1.4060538026248213
Energy: 1.4206463085174479
Energy: 1.4229988327799719
Energy: 1.26463579747688
Energy: 1.2793246552612278
Energy: 1.3115287699495293
Energy: 1.442102942598952
Energy: 1.3608788996363903
Energy: 1.4390284173999617
Energy: 1.2432385058219593
Energy: 1.78071527048105
Energy: 1.2404837307682817
Energy: 1.2151784096002805
Energy: 1.4510339011438786
Energy: 1.3010946357319293
Energy: 1.4016604704186801
Energy: 1.3081894845729392
Energy: 1.2984623824843506
Energy: 1.3024746155389972
Energy: 1.4076763544267852
Energy: 1.299336780584675
Energy: 1.4217785565140642
Energy: 1.3259935410543624
Energy: 1.299680790967979
Energy: 1.2994296677983066
Energy: 1.2818042303478308
Energy: 1.3006338180031123
Energy: 1.2697831047180608
Energy: 1.3035440281758048
Energy: 1.262746959464885
Energy: 1.2616078115620268
Energy: 1.2788217862184301
Energy: 1.416856909751081
Energy: 1.2476295691959913
Energy: 1.2772840772645453
Energy: 1.153215164618329
Energy: 1.1529020892578432
Energy: 1.2734865486788354
Energy: 1.2471440721514786
Energy: 1.2336585566976244
Energy: 1.2904841356531953
Energy: 1.187944067336036
Energy: 1.1805256307841756
Energy: 1.2906067913748887
Energy: 1.2564712209637912
Energy: 1.248755193503084
Energy: 1.270452794908607
Energy: 1.2572576272415337
Energy: 1.2578332062087674
Energy: 1.2558978954741775
Energy: 1.419403464633593
Energy: 1.2477533758294825
Energy: 1.2553292160417162
Energy: 1.2740848938227385
Energy: 1.2739429492296297
Energy: 1.2553861565964237
Energy: 1.2751577460103027
Energy: 1.2744384463288654
Energy: 1.299061990986063
Energy: 1.271839563678967
Energy: 1.2710876982061894
Energy: 1.4138506695313904
Energy: 1.3465700487210561
Energy: 1.402248562641313
Energy: 1.4487101251846055
Energy: 1.2572509298516172
Energy: 1.2781086306728604
Energy: 1.4397992125391499
Energy: 1.420178347429743
Energy: 1.4107146009038503
Energy: 1.3152006891519488
Energy: 1.462757330891572
Energy: 1.185213244657347
Energy: 1.1445350431650436
Energy: 1.1849872611809544
Energy: 1.4505056488032706
Energy: 1.2947801709790734
Energy: 1.398645963907072
Energy: 1.1970450604211933
Energy: 1.299181847068952
Energy: 1.200822539452567
Energy: 1.4053374503377964
Energy: 1.4526278412664733
Energy: 1.1923283883556828
Energy: 1.2056746469919524
Energy: 1.3019363303898135
Energy: 1.2011979913586226
Energy: 1.3043413124503191
Energy: 1.2647531256806248
Energy: 1.230934448414207
Energy: 1.2040794898163982
Energy: 1.1908976845443429
Energy: 1.193258465277812
Energy: 1.219675003490627
Energy: 1.3014550159927871
Energy: 1.200138589033714
Energy: 1.1530147298883922
Energy: 1.1536972550842464
Energy: 1.1899287322618126
Energy: 1.2760726470201054

minimum gb energy = 1.1445350431650436 eV
minimum distance =  2.13804823882489 Angstroms
sigma value = 51


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

Energy: 1.7995330403435836
Energy: 1.1674580804027526
Energy: 1.1674541653946322
Energy: 1.1591892637532533
Energy: 1.8447927771815944
Energy: 1.2656678985806677
Energy: 1.434220421624567
Energy: 1.2455976154480872
Energy: 1.209072081960643
Energy: 1.115424667570659
Energy: 1.2453368775413334
Energy: 1.1600672276176245
Energy: 1.6247393573338125
Energy: 1.2457076118596362
Energy: 1.2380796710030015
Energy: 1.2173977625315109
Energy: 1.2461491652191743
Energy: 1.1693996991396745
Energy: 1.6176917071180188
Energy: 1.1682539086366366
Energy: 1.168221000506866
Energy: 1.1408394133308364
Energy: 1.1680210299587914
Energy: 1.2137144064736223
Energy: 1.3605114206672275
Energy: 1.233384164060654
Energy: 1.23391430915028
Energy: 1.1710247855453069
Energy: 1.2323934852607283
Energy: 1.2422095505117179
Energy: 1.360091616791102
Energy: 1.2322189086995117
Energy: 1.2347541797598616
Energy: 1.231950137861183
Energy: 1.231379021839986
Energy: 1.2397738329127705
Energy: 1.359397992659372
Energy: 1.1627504173266225
Energy: 1.1620342784759696
Energy: 1.231414820693504
Energy: 1.162195246722677
Energy: 1.2378211466606244
Energy: 1.360803156461004
Energy: 1.0752496105394211
Energy: 1.1392247805492866
Energy: 1.2140356458685
Energy: 1.0753762676476932
Energy: 1.1446466513637699
Energy: 1.245675458465822
Energy: 1.0759864293737897
Energy: 1.1450267660838205
Energy: 1.2455703577879471
Energy: 1.0748597570961138
Energy: 1.206165671192312
Energy: 1.2459592379893085
Energy: 1.1312488340374152
Energy: 1.1766083438644748
Energy: 1.2459465083280543
Energy: 1.1161034230353923
Energy: 1.2094840357453134
Energy: 1.2655350124491618
Energy: 1.1832449039538548
Energy: 1.1989671280151688
Energy: 1.2659070848351648
Energy: 1.1803727897273215
Energy: 1.1980040965431316
Energy: 1.259636235148525
Energy: 1.159526641126282
Energy: 1.1160488258566073
Energy: 1.204659102805595
Energy: 1.2304200346821532
Energy: 1.2368423832753004
Energy: 1.2592792094219933
Energy: 1.17970085701229
Energy: 1.2177602130362855
Energy: 1.2353780878209977
Energy: 1.281164137250097
Energy: 1.2191212722429057
Energy: 1.2597097159857273
Energy: 1.177752935581113
Energy: 1.1779898471515298
Energy: 1.2015639607857447
Energy: 1.1449584131015984
Energy: 1.178448582815009
Energy: 1.433861671219396
Energy: 1.1679134775038131
Energy: 1.168631573104814
Energy: 1.2152584411107148
Energy: 1.1675702191532469
Energy: 1.1561087037064064
Energy: 1.4337271204639521
Energy: 1.2361266403929494
Energy: 1.2407435620073763
Energy: 1.206934397511876
Energy: 1.2359609808762368
Energy: 1.2123113329345356
Energy: 1.3614836626672329
Energy: 1.2365730224530955
Energy: 1.2366381252439542
Energy: 1.1560708617920794
Energy: 1.2360625826597296
Energy: 1.1816383704485844
Energy: 1.7905067156261885
Energy: 1.2043434687359122
Energy: 1.1585623281230641
Energy: 1.0718995566390217
Energy: 1.199659267695992
Energy: 1.17304222440612

minimum gb energy = 1.0718995566390217 eV
minimum distance =  2.28407701106589 Angstroms
sigma value = 19


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

Energy: 1.7266440294147556
Energy: 1.3151378347056129
Energy: 1.2714082850367243
Energy: 1.272146919959911
Energy: 1.135045213683425
Energy: 1.2195007412717584
Energy: 1.40958687506785
Energy: 1.1960968259652929
Energy: 1.1977353382167943
Energy: 1.1802135223428487
Energy: 1.1967874100948295
Energy: 1.1961317951611306
Energy: 1.3570151433249669
Energy: 1.196747554593512
Energy: 1.2105922660076582
Energy: 1.1296744757338666
Energy: 1.209435957189184
Energy: 1.215507242674548
Energy: 1.3994378674073928
Energy: 1.2720762636648977
Energy: 1.291504733380165
Energy: 1.3095785578155172
Energy: 1.2718971645087165
Energy: 1.2936050970393527
Energy: 1.303741689144407
Energy: 1.2954593453575145
Energy: 1.2215267347089225
Energy: 1.1304337869883108
Energy: 1.2604619223368896
Energy: 1.2130556029257138
Energy: 1.3542288439167918
Energy: 1.2175489419218222
Energy: 1.2922844733178989
Energy: 1.3580126935777808
Energy: 1.217483241143404
Energy: 1.3606885013427772
Energy: 1.4526997853797583
Energy: 1.2280897602523888
Energy: 1.3154136968891454
Energy: 1.3612337026369041
Energy: 1.2264542253230526
Energy: 1.2909738686604395
Energy: 1.397195464710057
Energy: 1.1605030862164825
Energy: 1.1826801816750276
Energy: 1.2477338309583201
Energy: 1.2620359115161965
Energy: 1.1210217648793983
Energy: 1.2690321435857397
Energy: 1.1767379198617696
Energy: 1.1836926893622044
Energy: 1.268895824693134
Energy: 1.1243740232584098
Energy: 1.1167526741255196
Energy: 1.2690680385704716
Energy: 1.270200990313806
Energy: 1.2693846102905282
Energy: 1.2435687227714136
Energy: 1.2301180801857494
Energy: 1.2849168678589586
Energy: 1.2885215460663568
Energy: 1.3092186927704534
Energy: 1.3106518657394333
Energy: 1.2879875768688875
Energy: 1.310661618031281
Energy: 1.2944299175028608
Energy: 1.3546960194269526
Energy: 1.2394316190726122
Energy: 1.2785944846067836
Energy: 1.282380180667399
Energy: 1.2526606003791982
Energy: 1.2781780653773747
Energy: 1.2179790026934358
Energy: 1.3868722252179408
Energy: 1.3873095405313962
Energy: 1.217716945672539
Energy: 1.4236412231282
Energy: 1.388222191663019
Energy: 1.3605817290085602
Energy: 1.4220035969153284
Energy: 1.423361052866352
Energy: 1.4258752126071597
Energy: 1.4240619048927596
Energy: 1.4229885784717207
Energy: 1.4802908198777633
Energy: 1.3485206368499227
Energy: 1.348509224446231
Energy: 1.1168211605795315
Energy: 1.3482150099939398
Energy: 1.1208646474869566
Energy: 1.480486671515361
Energy: 1.2835902400485286
Energy: 1.1206819407680926
Energy: 1.2661383152514516
Energy: 1.3652779707882112
Energy: 1.124456849314277
Energy: 1.3449412509728338
Energy: 1.3483689755007557
Energy: 1.3486252363851432
Energy: 1.2805295005252888
Energy: 1.34919347738816
Energy: 1.3480624935835104
Energy: 1.3972013768744682
Energy: 1.347868260398971
Energy: 1.348288031633919
Energy: 1.3100403356020245
Energy: 1.3497199424661745
Energy: 1.3501702534602988
Energy: 1.3967598981661178
Energy: 1.240174440445832
Energy: 1.240725994752915
Energy: 1.2920623580848722
Energy: 1.2478462269452493
Energy: 1.3125950705864085
Energy: 1.3220660491616523
Energy: 1.2177368015208943
Energy: 1.3215929773853397
Energy: 1.3589040053208865
Energy: 1.217607460268357
Energy: 1.3052514038963496
Energy: 1.44099033060538
Energy: 1.3078919226035777
Energy: 1.3429045661843297
Energy: 1.3555505340704719
Energy: 1.2632889718299372
Energy: 1.3588885046229575
Energy: 1.4405747491623673
Energy: 1.2927881336815954
Energy: 1.2923449995283467
Energy: 1.302599231714798
Energy: 1.2313426308676514
Energy: 1.3139101181209094
Energy: 1.3806498299795602
Energy: 1.2717947978801505
Energy: 1.2766319420372731
Energy: 1.3166410759969212
Energy: 1.341926303961046
Energy: 1.1812898564917784
Energy: 1.280897434293048
Energy: 1.3092144043169716
Energy: 1.2954407116577942
Energy: 1.281263705599619
Energy: 1.228254384600493
Energy: 1.2801114993638527
Energy: 1.2818241782434685
Energy: 1.287868710387899
Energy: 1.2916681794595497
Energy: 1.2801086088847615
Energy: 1.2645574311786003
Energy: 1.2924222262718148
Energy: 1.3998534481055267
Energy: 1.3097405120501042
Energy: 1.2918232645003527
Energy: 1.1341023294258092
Energy: 1.3115109833220484
Energy: 1.159992541187322
Energy: 1.3227639315808517
Energy: 1.3324075382428655
Energy: 1.207525782112677
Energy: 1.1517889884934907
Energy: 1.3071789770169344
Energy: 1.201099619354902
Energy: 1.2175893152299242
Energy: 1.283929871579885
Energy: 1.2778620313983722
Energy: 1.2174978245836876
Energy: 1.2790621722156632
Energy: 1.2102514320446405
Energy: 1.3043777015888705
Energy: 1.282567215643384
Energy: 1.188753147514186
Energy: 1.1335073546568284
Energy: 1.2831988130611323
Energy: 1.2453015754415515
Energy: 1.1202554124197108
Energy: 1.2345455666938188
Energy: 1.1206102692287125
Energy: 1.2604095637418542
Energy: 1.2337679622749569
Energy: 1.224682834458617

minimum gb energy = 1.1167526741255196 eV
minimum distance =  2.21648351542313 Angstroms
sigma value = 27


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

Energy: 1.2985110033809155
Energy: 1.1165934753572553
Energy: 1.1167417121450027
Energy: 1.172735999755397
Energy: 1.0510555934058257
Energy: 1.258128893981203
Energy: 1.2134157859717993
Energy: 1.109358588131393
Energy: 1.1091787900989902
Energy: 1.080000976380523
Energy: 1.1092203162646241
Energy: 1.0622500152142245
Energy: 1.1939296473217675
Energy: 1.1091968824956955
Energy: 1.1091939040266892
Energy: 1.049613701682399
Energy: 1.1094778080209466
Energy: 1.0753434068259564
Energy: 1.0812963192363738
Energy: 1.049985420947668
Energy: 1.0735230972851701
Energy: 1.1047183853088256
Energy: 1.0498209405226084
Energy: 1.0158968651769644
Energy: 1.3197233758047657
Energy: 1.0485106487197051
Energy: 1.0160919505576274
Energy: 1.0522813526460209
Energy: 0.96305213700323
Energy: 1.0153507716369157
Energy: 1.1096029743228168
Energy: 1.1750890933423417
Energy: 1.0385920335348906
Energy: 1.1096699109533061
Energy: 1.1718611221603417
Energy: 1.0080703728259879
Energy: 1.111081296649306
Energy: 1.077925737349856
Energy: 1.0780855871979207
Energy: 1.111079689981025
Energy: 1.1013096842471628
Energy: 1.1094768791006604
Energy: 1.1104337002504696
Energy: 1.0596168253651341
Energy: 1.055476437676714
Energy: 1.1100560761018905
Energy: 1.097093013590726
Energy: 1.0552801730941204
Energy: 1.1938758835327044
Energy: 1.054758099268751
Energy: 1.0167306131570957
Energy: 1.1094524743103957
Energy: 1.096970589398555
Energy: 1.0753915064058757
Energy: 1.195950530069834
Energy: 1.06144379980291
Energy: 1.0763350820170732
Energy: 1.1404457384486448
Energy: 1.0993530379378613
Energy: 1.0767931721973873
Energy: 1.1941142296396337
Energy: 1.1375158840961714
Energy: 1.1393738374118751
Energy: 1.1116255943585953
Energy: 1.1368365647535734
Energy: 1.138105137576583
Energy: 1.1945087742507599
Energy: 1.109321733344283
Energy: 1.0755885551183675
Energy: 1.0781477409767128
Energy: 1.1092655046276496
Energy: 1.0172094831047573

minimum gb energy = 0.96305213700323 eV
minimum distance =  2.33371431291152 Angstroms
sigma value = 9


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

Energy: 1.0660246310572357
Energy: 0.9399176580365475
Energy: 0.9314702423956851
Energy: 0.8971294915926127
Energy: 0.9494336153195778
Energy: 0.9308890008064243
Energy: 0.9463981460439977
Energy: 0.9617337591487709
Energy: 0.9613170217953876
Energy: 0.9452662575091819
Energy: 0.9617767905897671
Energy: 0.9435500705321123
Energy: 1.0100585407215845
Energy: 0.9622075417733144
Energy: 0.9632105624506003
Energy: 0.9796460220754518
Energy: 0.9622688709101849
Energy: 0.9871063224751235
Energy: 1.0097573081713802
Energy: 0.8932165989028894
Energy: 0.89314519193308
Energy: 0.9638811105802131
Energy: 0.9579523368790294
Energy: 0.8925130387139871
Energy: 1.0724355555196279
Energy: 0.9156791279870347
Energy: 0.8853336019029473
Energy: 0.9603509973959031
Energy: 0.9158650930077993
Energy: 0.9618646711518068
Energy: 0.9600934726851367
Energy: 0.9290030635411928
Energy: 0.8857917720188134
Energy: 0.9602697333813043
Energy: 0.932089977049664
Energy: 0.9955347805370772
Energy: 0.9602714023725599
Energy: 0.8932352296302575
Energy: 0.8917938503612941
Energy: 0.9613679748230486
Energy: 0.9552724146500627
Energy: 0.9605875902194031
Energy: 0.9606782950745013
Energy: 0.9616539477264463
Energy: 0.9651423119872655
Energy: 0.9610766059096875
Energy: 0.9606118703059129
Energy: 0.9258712953788942
Energy: 1.1449652613295478
Energy: 0.9293361806044349
Energy: 0.9653128879942791
Energy: 0.9642550083842727
Energy: 0.930515479991288
Energy: 1.0175254632446276
Energy: 0.9460562638776531
Energy: 0.9251990335127208
Energy: 0.9647653755011174
Energy: 0.9310793081510307
Energy: 0.9632793503410689
Energy: 0.8878004969118681
Energy: 0.9461112973469235
Energy: 0.9605294749268645
Energy: 0.9603628270749616
Energy: 0.9433712429125903
Energy: 0.9605487040854513
Energy: 1.0172123233734804
Energy: 1.3441986697552095
Energy: 0.9607330321797375
Energy: 0.960638538462244
Energy: 0.9143983190761994
Energy: 0.9608877275111579
Energy: 0.9628745388290368
Energy: 1.3309959522118269
Energy: 0.9335394287327756
Energy: 0.916509338591883
Energy: 0.9732947920474241
Energy: 1.240184966660583
Energy: 0.9728728529289679
Energy: 1.3443276859207287
Energy: 0.9597512792771129
Energy: 1.0210564726011206
Energy: 0.9145237355595806
Energy: 0.9606615277363024
Energy: 0.9619097838473745
Energy: 0.9630155849988339
Energy: 0.9926906223921327
Energy: 0.9848012073380634
Energy: 0.9626440217111774
Energy: 0.9924545999137779
Energy: 0.962102075137058
Energy: 0.9631430599171686
Energy: 0.990534403937655
Energy: 0.9755060373712453
Energy: 0.9619875745649831
Energy: 0.9757912946850776
Energy: 0.9618300567027195
Energy: 0.9608724549842237
Energy: 0.9089574882094568
Energy: 0.8913050248625958
Energy: 0.9608655177099258
Energy: 0.9091152605613179
Energy: 0.9068197144239298
Energy: 1.0725968750241661
Energy: 0.9339988169908834
Energy: 0.8909243908358662
Energy: 0.963106949516436
Energy: 0.937295610056552
Energy: 1.0043204635570713
Energy: 1.0115562893724181
Energy: 0.9356756614927004
Energy: 0.9454686300096431
Energy: 0.9614625779018313
Energy: 0.9714671786517491
Energy: 0.9574090524329113
Energy: 1.0106000714732681
Energy: 0.9708520591159996
Energy: 0.9401144616518384
Energy: 0.9696035114170999
Energy: 0.9703703741198427
Energy: 0.9485210754281811
Energy: 1.0121696231219455
Energy: 0.9613887431430591
Energy: 0.9581715291773824
Energy: 0.9544649072972805
Energy: 0.962271340054531
Energy: 0.9296320799101623
Energy: 1.0702661163357474
Energy: 0.9637786873705639
Energy: 0.9658184799151067
Energy: 0.9165904391829334
Energy: 0.9609619791033043
Energy: 0.8868006317519006
Energy: 1.065455079749276
Energy: 0.9633400928173371
Energy: 0.9623802698958104
Energy: 0.9172250304179714
Energy: 0.9636094499298024
Energy: 0.8902925452982418
Energy: 1.0096575259422815
Energy: 0.9622547844842956
Energy: 0.963115918435551
Energy: 0.9536896180973001
Energy: 0.9625196407163142
Energy: 0.9879194091837801
Energy: 1.3335348856826033
Energy: 0.9098924577075931
Energy: 0.9623117908531102
Energy: 0.9590405072212569
Energy: 0.9618224147759166
Energy: 0.9622464313279794
Energy: 1.0090191963036323
Energy: 0.9118607273545526
Energy: 0.8935268692694336
Energy: 0.9595288155064229
Energy: 0.9125540350659616
Energy: 0.9613805924062978
Energy: 0.919541988892115
Energy: 0.9298448554164537
Energy: 0.93298575332011
Energy: 0.9197161339221456
Energy: 0.9288649158848068
Energy: 0.9341235639445328
Energy: 0.9607412171948028
Energy: 0.8957337567562527
Energy: 0.8937785303798276
Energy: 0.9606179761569225
Energy: 0.9128901213506198
Energy: 0.9602286839877651
Energy: 0.9609553082740092
Energy: 0.9297744232239434
Energy: 0.9653668376359172
Energy: 0.9611686774715615
Energy: 0.9298728147596856
Energy: 0.9600114841468472
Energy: 0.9801517036618952
Energy: 0.9609248298181687
Energy: 0.965953649987272
Energy: 0.9584720921363108
Energy: 0.9608369962817275
Energy: 0.9645417780371973
Energy: 0.9463959730725049
Energy: 0.9368737743215266
Energy: 0.9664237147285861
Energy: 0.9406095385054346
Energy: 0.9374074745756293
Energy: 1.0173435376742872
Energy: 0.9535491335290416
Energy: 0.9600393806021664
Energy: 0.9603152593357311
Energy: 0.9318183230954135
Energy: 0.960022151156452
Energy: 0.8855597596898273
Energy: 1.34345185138877
Energy: 0.9606265085441441
Energy: 0.9604942002512802
Energy: 0.955714109095655
Energy: 0.9608492807246602
Energy: 0.9912482283708861
Energy: 1.0133628206971996
Energy: 0.9604183273902634
Energy: 0.9600253813260631
Energy: 0.9356967647396421
Energy: 0.9605863028267296
Energy: 0.9281211998292769
Energy: 1.0071056445472861
Energy: 0.9598354842100324
Energy: 1.019077700421256
Energy: 0.9299694869863662
Energy: 0.9606563428746117
Energy: 0.9643905988598844
Energy: 1.0089457623100853
Energy: 0.9898283273689963
Energy: 1.0255810746574567
Energy: 0.9498540170152445
Energy: 0.9857437976687279
Energy: 0.8925926310318397
Energy: 0.9609553620938724
Energy: 0.9730506110801905
Energy: 0.9802816312621379
Energy: 0.9620717345769292
Energy: 0.9702085973941823
Energy: 0.9610387428871596
Energy: 0.9609952401890596
Energy: 0.9360378594389588
Energy: 0.9385726102885297
Energy: 0.9609636783028767
Energy: 0.9354660995407541
Energy: 0.9614791124090508
Energy: 0.9101299769201676
Energy: 0.9648157153342722
Energy: 0.9688331542441637
Energy: 0.9100111767532125
Energy: 0.9729944651442911
Energy: 0.9340418406922345
Energy: 1.009960028391592
Energy: 0.9357706777570272
Energy: 0.9372003777593132
Energy: 0.9611031632917457
Energy: 0.9353138563761254
Energy: 0.9573932289854613
Energy: 1.0099083423849051
Energy: 0.9541147803434058
Energy: 0.9609143268769043
Energy: 0.9694149639278598
Energy: 0.9696318025937589
Energy: 0.9643520043158652
Energy: 1.0124041528983383
Energy: 0.9699764038950822
Energy: 0.9646568234657521
Energy: 0.9607272708982248
Energy: 0.9712220313919401
Energy: 0.9565279778677248
Energy: 1.0657424602190881
Energy: 0.9623061265716953
Energy: 0.9883776538238225
Energy: 0.9172731915340764
Energy: 0.9625565507498374
Energy: 0.8902336015235194

minimum gb energy = 0.8853336019029473 eV
minimum distance =  2.28728458898091 Angstroms
sigma value = 57


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

Energy: 0.428664654516221
Energy: 0.44214086099723626
Energy: 0.4430278334395903
Energy: 0.43244563070659653
Energy: 0.4860707494474926
Energy: 0.4303987690054765
Energy: 0.42943171284448634
Energy: 0.4498466585044283
Energy: 0.45002369287555305
Energy: 0.48542373172801034
Energy: 0.4860220383751309
Energy: 0.47836516761028836
Energy: 0.5476445744659414
Energy: 0.4870320494199879
Energy: 0.45150147294280624
Energy: 0.48727689379519024
Energy: 0.48691804283028595
Energy: 0.4515358860902219
Energy: 0.5477339395616833
Energy: 0.4871866177789729
Energy: 0.5064921653851425
Energy: 0.4863546818547425
Energy: 0.5475140321234837
Energy: 0.45097288040716477
Energy: 0.5455105395712906
Energy: 0.430195544650343
Energy: 0.4713567736006428
Energy: 0.5482670331277337
Energy: 0.42960804003422054
Energy: 0.45192961238419066
Energy: 0.4869595012692916
Energy: 0.4294570142967234
Energy: 0.431006965885141
Energy: 0.4498421279102531
Energy: 0.4292520956996496
Energy: 0.47090720616513077
Energy: 0.48263394636328927
Energy: 0.4500375296333768
Energy: 0.4505618214428365
Energy: 0.4842865946987066
Energy: 0.45061791012139196
Energy: 0.47844501367708175
Energy: 0.48673880668548875
Energy: 0.45065524131002627
Energy: 0.5041710206332936
Energy: 0.48680555061984027
Energy: 0.4501947266857719
Energy: 0.4508704362183501
Energy: 0.5443707713706634
Energy: 0.4877613471210211
Energy: 0.4788008322252061
Energy: 0.48612772138497834
Energy: 0.4871192636449098
Energy: 0.4516386400361816
Energy: 0.4292479921627803
Energy: 0.4870339295066328
Energy: 0.43133083191776284
Energy: 0.4292955926465533
Energy: 0.48721617639653786
Energy: 0.4722959091226097
Energy: 0.42920855694296983
Energy: 0.449859816071133
Energy: 0.45055976600149494
Energy: 0.42924178724628326
Energy: 0.45057298816079616
Energy: 0.4741961197731348
Energy: 0.5478046455890133
Energy: 0.48653849857271775
Energy: 0.4532959304819929
Energy: 0.48594820120616067
Energy: 0.4861725549741294
Energy: 0.4510268011565317
Energy: 0.547408040220851
Energy: 0.5479926535684966
Energy: 0.5518606944848213
Energy: 0.45006520863351945
Energy: 0.5481863127379101
Energy: 0.4898000723903178
Energy: 0.5458686121031261
Energy: 0.4865017882192233
Energy: 0.4906004138991476
Energy: 0.5500511049622432
Energy: 0.48591789820984554
Energy: 0.45032864261459576
Energy: 0.547920627302674
Energy: 0.4292308127569736
Energy: 0.42998643381032886
Energy: 0.4867992862235282
Energy: 0.429638530642954
Energy: 0.4324791394101554
Energy: 0.4858889268200099
Energy: 0.45082362644577434
Energy: 0.4789654807040636
Energy: 0.48591388828403465
Energy: 0.4299770052483332
Energy: 0.4507069308184876
Energy: 0.4865314531796706
Energy: 0.4526060814749569
Energy: 0.4802071001198973
Energy: 0.4865790621135738
Energy: 0.48619134604417813
Energy: 0.4514046147132589
Energy: 0.5477476599675506
Energy: 0.4511109492860167
Energy: 0.5031978904071673
Energy: 0.5476746684962451
Energy: 0.4863754326195952
Energy: 0.45066030543907465
Energy: 0.42939626293460664
Energy: 0.45016271875069047
Energy: 0.4504276133166657
Energy: 0.4293433769224655
Energy: 0.4867835977156251
Energy: 0.5030580930916934

minimum gb energy = 0.428664654516221 eV
minimum distance =  2.32995990948138 Angstroms
sigma value = 11


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

Energy: 1.4428729452753222
Energy: 1.0539660488956626
Energy: 0.8991529477377754
Energy: 0.8302359508384782
Energy: 0.9087913091632501
Energy: 0.903019191161513
Energy: 0.7709469825944817
Energy: 0.7823363476315555
Energy: 0.7665295023975175
Energy: 0.7656485439018806
Energy: 0.7507579547673279
Energy: 0.7679824112089018
Energy: 0.7541997316321186
Energy: 0.7493496574794674
Energy: 0.7486197783698193
Energy: 0.7559127936191681
Energy: 0.7510754733046213
Energy: 0.762658059626975
Energy: 0.7535623576268987
Energy: 0.7761950299471829
Energy: 0.7833195286931861
Energy: 0.7551749636287308
Energy: 0.7542121578721749
Energy: 0.75158660080946
Energy: 0.7497624415197456
Energy: 0.8772847347657029
Energy: 0.8855292652383172
Energy: 0.7499947809621962
Energy: 0.779300740405349
Energy: 0.7659811658043094
Energy: 1.053192091077341
Energy: 0.8556276888331852
Energy: 0.8113812767224692
Energy: 0.9035820764989239
Energy: 0.7681976775413089
Energy: 0.8135725888621942
Energy: 0.8067752951680459
Energy: 0.7736385546590655
Energy: 0.7685646768046572
Energy: 0.7505541304120585
Energy: 0.7660673419484428
Energy: 0.7710836353965382
Energy: 0.7703817362783617
Energy: 0.7721005840944727
Energy: 0.7733360155330934
Energy: 0.7712060860746183
Energy: 0.7701703353456566
Energy: 0.7690208614080105
Energy: 1.0493755780237655
Energy: 0.7519069157249721
Energy: 0.8165377090085598
Energy: 0.7664432269155542
Energy: 0.7514742741039051
Energy: 0.766532332068463
Energy: 1.3122456764499166
Energy: 0.8147482743644779
Energy: 0.813189839213587
Energy: 0.7553906566842292
Energy: 0.7507455089285421
Energy: 0.8117000585308911
Energy: 1.3497292067649391
Energy: 0.8154644090973265
Energy: 0.8161375936185437
Energy: 0.7787754953221816
Energy: 0.8251666376018129
Energy: 0.8835401766698273
Energy: 1.0770181208164162
Energy: 0.7266417235040877
Energy: 0.7696564739697505
Energy: 0.9226684565253601
Energy: 0.7310505236762552
Energy: 0.7830374366964278
Energy: 0.8705041649187621
Energy: 0.7270986350035401
Energy: 0.8297199821135278
Energy: 0.7758784350793068
Energy: 0.7328856184539436
Energy: 0.7628414696419327
Energy: 0.8704517110329115
Energy: 0.8124152893784763
Energy: 0.8826395982542538
Energy: 0.8711956409900458
Energy: 0.8237896496969807
Energy: 0.8859435567013488
Energy: 0.8711308002938173
Energy: 0.7638813812819902
Energy: 0.7641411651738312
Energy: 0.8707036549633925
Energy: 0.7492572092136423
Energy: 0.8327321445113676
Energy: 1.3537947797377727
Energy: 0.8782002931824733
Energy: 0.886144258368705
Energy: 0.7811655960074413
Energy: 0.9617599486859395
Energy: 0.8858623460076854
Energy: 1.2248773648992
Energy: 0.8276896288399339
Energy: 0.7539954225127866
Energy: 0.7273266892754847
Energy: 0.8347450437046608
Energy: 0.7542018947358152
Energy: 1.3703815681671228
Energy: 0.8139722648917757
Energy: 0.8168688335530959
Energy: 0.7698291300010832
Energy: 0.812267359998918
Energy: 0.8865391208037183
Energy: 1.3485307832947113
Energy: 0.7683917331385461
Energy: 0.7889642400348593
Energy: 0.7499964436787793
Energy: 0.7761789575888135
Energy: 0.8292288782858374
Energy: 1.0051575477462624
Energy: 0.7762569344385607
Energy: 0.7625758526987066
Energy: 0.7502845374925392
Energy: 0.880344916967292
Energy: 0.7622315926509053
Energy: 1.3537123984160253
Energy: 0.8877715896772258
Energy: 0.8906174828979848
Energy: 0.7492690534282632
Energy: 0.8780462671795815
Energy: 0.8142851124826687
Energy: 1.2411042537131398
Energy: 0.7530043577721478
Energy: 0.7564680384988226
Energy: 1.241469398414346
Energy: 0.7737048175942992
Energy: 0.8658154641283553
Energy: 0.7477761850764617
Energy: 0.7663459924223583
Energy: 0.7957025070403438
Energy: 0.7480018237973304
Energy: 0.7633874661973938
Energy: 0.8131098673805758
Energy: 0.7489909175436378
Energy: 0.7510117912675854
Energy: 0.7497367356228919
Energy: 0.7489048024753177
Energy: 0.7504505307089254
Energy: 0.7485364584920379
Energy: 0.7796714527382442
Energy: 0.7500246497304605
Energy: 0.7495929059301722
Energy: 0.8954614860947412
Energy: 0.7543810431534403
Energy: 0.7703524025322352
Energy: 1.3197670230644702
Energy: 0.7811233477606445
Energy: 0.7651105839546222
Energy: 0.7817037416161877
Energy: 0.7784281233587751
Energy: 0.836562053641256

minimum gb energy = 0.7266417235040877 eV
minimum distance =  2.26480287712263 Angstroms
sigma value = 41


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

Energy: 1.774639681936978
Energy: 0.8861326851826897
Energy: 0.8832704753443967
Energy: 0.9355781832577282
Energy: 0.8806734087835734
Energy: 0.9359115300820668
Energy: 0.8495605295689714
Energy: 0.8551844357145854
Energy: 0.8494603293581239
Energy: 0.820181545807007
Energy: 0.8174160542362631
Energy: 0.8271650855994335
Energy: 0.8180452084157144
Energy: 0.8199030049427329
Energy: 0.8276720197128352
Energy: 0.8184068252248594
Energy: 0.8180158198079428
Energy: 0.8257590221466552
Energy: 0.8179074306271437
Energy: 0.8451111680828377
Energy: 0.8257241648106378
Energy: 0.8184163383258761
Energy: 0.8184234670821543
Energy: 0.825978969523046
Energy: 0.8170127088074395
Energy: 0.8736407827512106
Energy: 0.8736824305863271
Energy: 0.8171238643192109
Energy: 0.9125882492766586
Energy: 0.8434050273686184
Energy: 1.20418434191123
Energy: 0.8492225427944103
Energy: 0.851831279091016
Energy: 0.8414134284826633
Energy: 0.8175019230290048
Energy: 0.8428614264206715
Energy: 1.2038409348572354
Energy: 0.81961636907696
Energy: 0.8187621609574234
Energy: 0.818158594765779
Energy: 0.845170670154132
Energy: 0.8516772462622503
Energy: 0.8503855214605278
Energy: 0.8671531531256944
Energy: 0.8676411136493766
Energy: 0.8511700330761551
Energy: 0.8668274673039523
Energy: 0.808598184115245
Energy: 1.203609762555913
Energy: 0.9129395343366964
Energy: 0.8491711610739321
Energy: 0.8682929221410244
Energy: 0.9125751434307516
Energy: 0.8496879814257489
Energy: 0.9046306734936826
Energy: 0.8460662294765758
Energy: 0.8446078265971739
Energy: 0.8184102779226857
Energy: 0.8204715244197663
Energy: 0.8490801367177021
Energy: 0.9048020784571948
Energy: 0.8479229981917514
Energy: 0.8457961873137287
Energy: 0.8183971039248191
Energy: 0.84494458216105
Energy: 0.848223274901785
Energy: 1.2037549386776936
Energy: 0.8185807935637558
Energy: 0.7825903194428467
Energy: 0.8484937484168699
Energy: 0.7834823078488904
Energy: 0.8491380800780127
Energy: 0.8200819602505784
Energy: 0.783442316945792
Energy: 0.7820798561714569
Energy: 0.8198600600674307
Energy: 0.7839744690208306
Energy: 0.8997454827678146
Energy: 0.9118752359985038
Energy: 0.8446272823514347
Energy: 0.8498963473524234
Energy: 0.9122027821609413
Energy: 0.8448086485879196
Energy: 0.849943020923848
Energy: 0.8687807701810248
Energy: 0.8680734169229798
Energy: 0.8679425631172621
Energy: 0.8685385405078453
Energy: 0.8220925772416183
Energy: 0.8680775005332052
Energy: 0.8173317443600727
Energy: 0.8419709363833794
Energy: 0.8509450169465376
Energy: 0.8455575732806995
Energy: 0.8179966577306447
Energy: 0.8257574784874464
Energy: 0.9642648819770759
Energy: 0.8468566337746072
Energy: 0.8313971698895949
Energy: 0.7881201163364177
Energy: 0.8551536544539416
Energy: 0.9032362871707197
Energy: 0.8495127980022422
Energy: 0.8451049851327289
Energy: 0.8461817133742996
Energy: 1.0422168639977494
Energy: 0.8174181148050994
Energy: 0.8321290202548467
Energy: 0.8192599970762068
Energy: 0.820192848531287
Energy: 0.8199848440662997
Energy: 0.819296441851252
Energy: 0.8179332166391685
Energy: 0.8256638915129443
Energy: 0.8177243774644571
Energy: 0.8266316095331241
Energy: 0.826050142835894
Energy: 0.8178000977294901
Energy: 0.8183315766167499
Energy: 0.8266280497427864
Energy: 0.8172111625899202
Energy: 0.8182959444553366
Energy: 0.827646046867455
Energy: 0.8170788318699445
Energy: 0.8189075708397716
Energy: 0.8490891735066838
Energy: 1.2205914996308094
Energy: 0.8457742579878572
Energy: 0.8454938951782478
Energy: 0.9080445245073946
Energy: 0.8283245380421657
Energy: 0.9059712685662894
Energy: 1.2043328407808183
Energy: 0.8177668743485264
Energy: 0.849876709739207
Energy: 0.8174717480704216
Energy: 0.9374340818954995
Energy: 0.8494534042656253
Energy: 0.8502460169991714
Energy: 0.8225591258132101
Energy: 0.8225081774950631
Energy: 0.8501903178199458
Energy: 0.8701771679933238
Energy: 0.7860211551961774
Energy: 1.2038908929450294
Energy: 0.817714793261869
Energy: 0.8187291021955461
Energy: 0.8545073427269382
Energy: 0.9120435227571704
Energy: 0.8511678322194952
Energy: 0.9050084877990314
Energy: 0.8495798973374497
Energy: 0.8503310410175693
Energy: 0.8181038351768747
Energy: 0.8192768100173404
Energy: 0.8491781385270224
Energy: 0.90480017810636
Energy: 0.844486325592869
Energy: 0.8439236425868268
Energy: 0.8186280972181886
Energy: 0.8458247399456886
Energy: 0.8509328521153261
Energy: 1.2040749069617156
Energy: 0.8434316115420427
Energy: 0.8751090490734523
Energy: 0.8451547342544494
Energy: 0.818514773974378
Energy: 0.8495976061167472
Energy: 0.8210601961526107
Energy: 0.7822947382768236
Energy: 0.9006853101237523
Energy: 0.8206379062084983
Energy: 0.7848464029139595
Energy: 0.8552162097245931
Energy: 0.9109984296261465
Energy: 0.8456412646992382
Energy: 0.8538902921668632
Energy: 0.9117462322861404
Energy: 0.8452550272740054
Energy: 0.8745893545417057
Energy: 0.8195735218865668
Energy: 0.8190248741623347
Energy: 0.8254090150292946
Energy: 0.819702742436714
Energy: 0.8180365862375247
Energy: 0.8199589812235993
Energy: 0.818302923742861
Energy: 0.818906527005739
Energy: 0.8497249877700376
Energy: 0.8230161977072731
Energy: 0.8185894037026871
Energy: 0.8201006285382351
Energy: 0.9551737831424151
Energy: 0.8476571797520699
Energy: 0.8311854539925325
Energy: 0.7865783530457202
Energy: 0.8413230839626077
Energy: 0.8309854841473686

minimum gb energy = 0.7820798561714569 eV
minimum distance =  2.31313863705854 Angstroms
sigma value = 33


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

Energy: 1.0168001327322314
Energy: 1.0312452392422655
Energy: 1.0386083131855874
Energy: 0.8767559231748769
Energy: 1.0473140916164718
Energy: 0.887116175333334
Energy: 0.9351798354317777
Energy: 0.9017821356719526
Energy: 0.9078730525685127
Energy: 0.8986693127039965
Energy: 0.8904854422993763
Energy: 0.9083580201774186
Energy: 0.8899046690745451
Energy: 0.8749477664958558
Energy: 0.877751173996979
Energy: 0.8893137845489927
Energy: 0.8754547559213258
Energy: 0.8738053667087542
Energy: 0.8889754089683286
Energy: 0.8786496085044828
Energy: 0.8851188670459916
Energy: 0.8901624902391623
Energy: 0.8756270739567078
Energy: 0.8747344008719623
Energy: 0.8906032208083786
Energy: 0.8833213974916326
Energy: 0.8455029761438219
Energy: 0.8918712308686373
Energy: 0.892983675019317
Energy: 0.8448281447062911
Energy: 0.9406857961076639
Energy: 0.8842238825590697
Energy: 0.8831948757300927
Energy: 0.952263885589593
Energy: 0.8926796409496509
Energy: 0.8847739247852552
Energy: 0.9359623409993599
Energy: 0.9644519880404128
Energy: 0.8773628342452753
Energy: 0.8898773688585645
Energy: 0.8789049118579203
Energy: 0.8776225291060171
Energy: 0.9312604933510032
Energy: 0.9505208664362363
Energy: 0.8773527319213282
Energy: 0.8439974741507951
Energy: 0.9490042431016383
Energy: 0.8754308032258038
Energy: 0.9381745563199747
Energy: 0.8443144231005666
Energy: 0.8802466857665808
Energy: 0.9610922024869536
Energy: 0.8472892689140697
Energy: 0.8454358992682492
Energy: 0.9409863346745888
Energy: 0.8987715414401298
Energy: 0.8753090343146068
Energy: 0.8885589492634651
Energy: 0.8991732343163138
Energy: 0.8747454427528079
Energy: 0.9376289981424902
Energy: 0.8743665931173812
Energy: 0.8835772554548942
Energy: 0.8889308456145695
Energy: 0.8788132755978492
Energy: 0.8815178474709361
Energy: 0.9373290592168008
Energy: 0.84565424887071
Energy: 0.8453834294396799
Energy: 0.9487387349261439
Energy: 0.8453287079413785
Energy: 0.8452757988035083
Energy: 0.9484561177500272
Energy: 0.8459613989361479
Energy: 0.8453799525519048
Energy: 0.9485321983969948
Energy: 0.8451972613841754
Energy: 0.8446904216138372
Energy: 0.8978452020834635
Energy: 0.8767645157169911
Energy: 0.8800024121573073
Energy: 0.8899155920550698
Energy: 0.9351857444071375
Energy: 0.8786575834615914
Energy: 0.8430730671315994
Energy: 0.8750620210190193
Energy: 0.8741289525087016
Energy: 0.8899925917111259
Energy: 0.8762919476732248
Energy: 0.8745932662844438
Energy: 0.8923814603347204
Energy: 0.8906246757745402
Energy: 0.8756733524979959
Energy: 0.9381306208811011
Energy: 0.8900696263210142
Energy: 0.8762120151752998
Energy: 0.937050859185027
Energy: 0.9479893150430247
Energy: 0.8773178029386346
Energy: 0.8909576108532181
Energy: 0.9484618477910692
Energy: 0.8762738030400116
Energy: 0.9398112359297215
Energy: 0.9194169121633783
Energy: 0.8448678187886821
Energy: 0.9254947127378979
Energy: 0.9652925777711296
Energy: 0.8451447646742484
Energy: 0.888576687310264
Energy: 0.8441116425416063
Energy: 0.8476549114078024
Energy: 0.8992097851079962
Energy: 0.9327269033971259
Energy: 0.8860249383511242
Energy: 0.846877774234801
Energy: 0.8453427913104615
Energy: 0.8472180475378291
Energy: 0.8465891930121537
Energy: 0.9314649635213544
Energy: 0.8751691518996844
Energy: 0.8467050843151114
Energy: 0.8453061765549582
Energy: 0.8457815477156411
Energy: 0.8455284707332641
Energy: 0.9025747337722844
Energy: 0.8800090410512728
Energy: 0.9516372150446356
Energy: 0.8735485957257616
Energy: 0.8739737943295541
Energy: 0.9516541843220336
Energy: 0.8767848333335131
Energy: 0.8748546259207319
Energy: 0.8911437864689024
Energy: 0.9115373646297026
Energy: 0.8770651211562778
Energy: 0.8447857050002167
Energy: 0.8913138656561629
Energy: 0.9649474941930504
Energy: 0.936697523185199
Energy: 0.9891699106906455
Energy: 0.8423694786560513
Energy: 0.8448133084565012
Energy: 0.9774549540093159
Energy: 0.8447303181638276
Energy: 0.9347028141711998
Energy: 0.8996762271680344
Energy: 0.9081058384296166
Energy: 0.8848059115836171
Energy: 0.8891247101503195
Energy: 0.8766003682095721
Energy: 0.8898266257483675
Energy: 0.8769165497156542
Energy: 0.874637975115956
Energy: 0.890221501228108
Energy: 0.8893902367213378
Energy: 0.8748009819206298
Energy: 0.8902480056706669
Energy: 0.8755263271817346
Energy: 0.8811108418640945
Energy: 0.8905202987379375
Energy: 0.8901847375274234
Energy: 0.8739934706375354
Energy: 0.8896205221268815
Energy: 0.8441402877691775
Energy: 0.8462948553740812
Energy: 0.890907390207396
Energy: 0.8937081448976547
Energy: 0.875153655927279
Energy: 0.9344029978009216
Energy: 0.8881378080638669
Energy: 0.8769649706863316
Energy: 0.9506932805729075
Energy: 0.8785307552261419
Energy: 0.87799097867144
Energy: 0.9371679494780343
Energy: 0.8794345861234754
Energy: 0.8459115692031021
Energy: 0.8936553669474194
Energy: 0.8781174603362091
Energy: 0.8783672783515319
Energy: 0.932058761295596
Energy: 0.9523264818952535
Energy: 0.8774723530879226
Energy: 0.8435054857191857
Energy: 0.9529938446671319
Energy: 0.8764237231295557
Energy: 0.9400183739524931
Energy: 0.8448804542092527
Energy: 0.8798997394617448
Energy: 0.8927043536836293
Energy: 0.8446708877205525
Energy: 0.8455522241114553
Energy: 0.9391727277054036
Energy: 0.8745310552809773
Energy: 0.8746848690366127
Energy: 0.8887235833909318
Energy: 0.8758466963566525
Energy: 0.8742311974335717
Energy: 0.9389737830787241
Energy: 0.908117508236708
Energy: 0.875241927488724
Energy: 0.8886569578427765
Energy: 0.8768730635186365
Energy: 0.8846048136380625
Energy: 0.9395770261282972
Energy: 0.8454949998517984
Energy: 0.843668188449863
Energy: 0.9488211962347429
Energy: 0.8521681364880671
Energy: 0.8448201879004584
Energy: 0.9525561925345204
Energy: 0.8463526915886754
Energy: 0.8459977577019132
Energy: 0.9509801531689247
Energy: 0.8453952934859466
Energy: 0.8441736141511759
Energy: 0.894145774091027
Energy: 0.8768351288699586
Energy: 0.8783469063796858
Energy: 0.8951222302036173
Energy: 0.9015447138152417
Energy: 0.8763665879713334
Energy: 0.8860645231072465
Energy: 0.875562810203802
Energy: 0.8749738014258553
Energy: 0.8863103634522529
Energy: 0.8756873900015433
Energy: 0.8748052008027177
Energy: 0.8944839182967023
Energy: 0.8917332589824465
Energy: 0.8781542583321842
Energy: 0.899798350030123
Energy: 0.890737053437717
Energy: 0.8780295482366554
Energy: 0.938951529050099
Energy: 0.9501329923831724
Energy: 0.9207861161715853
Energy: 0.8918890094564836
Energy: 0.9485364333511963
Energy: 0.8806001272938534
Energy: 0.9389590724184974
Energy: 0.9207070748783254
Energy: 0.9303232060333028
Energy: 0.8929072473238867
Energy: 0.9489629953147206
Energy: 0.8457509381513969
Energy: 0.8988819289177747
Energy: 0.8446578819173276
Energy: 0.8471598888192741
Energy: 0.8996516363460244
Energy: 0.9317325236786004
Energy: 0.8830905333726604
Energy: 0.8974650903113218
Energy: 0.8443549240920506
Energy: 0.8486982405416781
Energy: 0.8976302116950886
Energy: 0.9322404214270812
Energy: 0.8486209988382164
Energy: 0.8450283827807231
Energy: 0.8451880073656356
Energy: 0.8454419111800994
Energy: 0.8463296827413225
Energy: 0.9564072329312996
Energy: 0.8794221974100015
Energy: 0.9488066858847286
Energy: 0.8735529773526395
Energy: 0.9129294739332994
Energy: 0.9492388562043181
Energy: 0.8741552769233274
Energy: 0.9147180387658552
Energy: 0.892391486381001
Energy: 0.9559316438320644
Energy: 0.8767652837796046
Energy: 0.9128785277482228
Energy: 0.8906275725858586
Energy: 0.8768104736126008
Energy: 0.9414787000575885
Energy: 0.9610783698599107
Energy: 0.844002730152028
Energy: 0.8445227936942696
Energy: 0.9505773060235619
Energy: 0.845282658200878

minimum gb energy = 0.8423694786560513 eV
minimum distance =  2.30376623312984 Angstroms
sigma value = 67


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

Energy: 1.3877706976197928
Energy: 0.9329818475542331
Energy: 0.9368884148180391
Energy: 0.9755838866759089
Energy: 0.9589442433988539
Energy: 0.9329126846888685
Energy: 1.0042295650567663
Energy: 0.9198795095628101
Energy: 0.9188198695158032
Energy: 0.9228391392041692
Energy: 0.9535333251606639
Energy: 0.9178913704504199
Energy: 0.9491344317019996
Energy: 0.8809123499540946
Energy: 0.9246285707605255
Energy: 0.9207855011919379
Energy: 0.8807099475527973
Energy: 0.9191134813467974
Energy: 0.9496049866748077
Energy: 0.9229122568000602
Energy: 0.922449404122356
Energy: 0.9498135206633336
Energy: 0.9222693397187006
Energy: 0.9227289632047095
Energy: 0.9491414037903344
Energy: 0.9218904887724532
Energy: 0.9220091557232662
Energy: 0.9496035910456105
Energy: 0.9218542186419056
Energy: 0.9233296165432536
Energy: 0.9491810138084625
Energy: 0.9207312400656701
Energy: 0.9278935970177294
Energy: 0.949528939211613
Energy: 0.9208038182679394
Energy: 0.9511103696769233
Energy: 1.004841946830989
Energy: 0.922547225512725
Energy: 0.9202624359398932
Energy: 1.005545449577443
Energy: 0.955197027804384
Energy: 0.9202093010882142

minimum gb energy = 0.8807099475527973 eV
minimum distance =  2.35322670226702 Angstroms
sigma value = 3


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

Energy: 1.3268034610492139
Energy: 1.1754059610513679
Energy: 1.03286625360404
Energy: 1.0245646429623456
Energy: 1.156316699722613
Energy: 1.0843064027383642
Energy: 1.0355935884802445
Energy: 1.04972768207458
Energy: 1.0456471068310615
Energy: 1.069653968283338
Energy: 1.002536110724567
Energy: 1.0460906836552792
Energy: 1.058006791305941
Energy: 1.0367877494845028
Energy: 1.0364771867835767
Energy: 1.009071319667429
Energy: 1.0393283809845262
Energy: 1.0105195659935595
Energy: 1.0636017312232349
Energy: 1.0097293422079678
Energy: 1.060098073965131
Energy: 1.0662963259152338
Energy: 1.100288192707346
Energy: 1.00934601787437
Energy: 1.0582290352325907
Energy: 1.0114717662168127
Energy: 1.0606162178605305
Energy: 1.0602292531707602
Energy: 1.1338943303521833
Energy: 1.01464360401217
Energy: 1.0575583537027264
Energy: 1.059102569833758
Energy: 1.059597370967044
Energy: 1.0591664855375678
Energy: 1.1339438509722821
Energy: 1.0600949977089442
Energy: 1.0591848237599135
Energy: 1.010372934318664
Energy: 1.0768985933396502
Energy: 1.0974376636598817
Energy: 1.036207081697816
Energy: 1.1473704995591765
Energy: 1.094206150387535
Energy: 1.152936828351212
Energy: 1.0571050371793673
Energy: 1.0307115514733414
Energy: 1.1500097392589987
Energy: 1.1113328860323923
Energy: 1.0615762090430283
Energy: 1.065416147683962
Energy: 1.1422075166176002
Energy: 1.1211164710938253
Energy: 1.071539162503497
Energy: 1.1483911857166602
Energy: 1.195342800700822
Energy: 1.029355075420556
Energy: 1.0292567298254083
Energy: 1.1834881655609155
Energy: 1.0370959922338565
Energy: 1.0812805143741318
Energy: 1.1445956009133116
Energy: 1.0746379051917272
Energy: 1.1018280568537744
Energy: 1.1463206331577451
Energy: 1.026617631347219
Energy: 1.1686937786832918
Energy: 1.1446190658445956
Energy: 1.0642888623519604
Energy: 1.0644868556689067
Energy: 1.1454326307170677
Energy: 1.0567106269504427
Energy: 1.0631322761563236
Energy: 1.0795412209383917
Energy: 1.053865291103868
Energy: 1.0545705383984194
Energy: 1.0754806782232988
Energy: 1.0534102177400524
Energy: 1.0537783853478313
Energy: 1.116993525019572
Energy: 1.0530018273373265
Energy: 1.0532189701047352
Energy: 1.1613162050047412
Energy: 1.0571411713933316
Energy: 1.053391005348208
Energy: 1.0591939163055992
Energy: 1.0738621753899598
Energy: 1.0943969904277184
Energy: 1.0272272596132215
Energy: 1.0732057722175425
Energy: 1.0636133650526562
Energy: 1.1191133927941537
Energy: 1.0597981799703546
Energy: 1.059858972887776
Energy: 1.1471828556109382
Energy: 1.0761070969461224
Energy: 1.0591615660341107
Energy: 1.2650836182498795
Energy: 1.0400952543557356
Energy: 1.0402062068521396
Energy: 1.265148880255746
Energy: 1.0402044841383695
Energy: 1.113540377324503
Energy: 1.0741242339055876
Energy: 1.0291517229336948
Energy: 1.0951747548225146
Energy: 1.1085565840253695
Energy: 1.04881668621231
Energy: 1.0917051935045796
Energy: 1.0518676479850997
Energy: 1.074280140954708
Energy: 1.0627081738253374
Energy: 1.0620243196248171
Energy: 1.0711768562771267
Energy: 1.0289010765535063
Energy: 1.0655450132854392
Energy: 1.0790521644507034
Energy: 1.0635523205600652
Energy: 1.0474060915411827
Energy: 1.085642131643095
Energy: 1.028967136572187
Energy: 1.074362953394275
Energy: 1.0949009435797672
Energy: 1.0929234142882738
Energy: 1.0735982379645599
Energy: 1.0616117942731471
Energy: 1.0819284470709378
Energy: 1.0744467746831399
Energy: 1.0934062853167203
Energy: 1.0922247735161428
Energy: 1.110018926423953
Energy: 1.079118646440739
Energy: 1.092003294801461
Energy: 1.0797635697472254
Energy: 1.0943893094866102
Energy: 1.122704014367441
Energy: 1.0803522490230157
Energy: 1.1106973053204918
Energy: 1.106029110181939
Energy: 1.0809314894056288
Energy: 1.0302384334042631
Energy: 1.0297788389754283
Energy: 1.081219531828494
Energy: 1.030906579133515
Energy: 1.0817725168987173
Energy: 1.0600332429325305
Energy: 1.1355893662570375
Energy: 1.1217237384415448
Energy: 1.1390668593721907
Energy: 1.0793014979906723
Energy: 1.1264877045630737
Energy: 1.0364320081181289
Energy: 1.2672607126500848
Energy: 1.0839358446624603
Energy: 1.0542331695196454
Energy: 1.2395513079533018
Energy: 1.0512230154276834
Energy: 0.9955019501293764
Energy: 1.2376644566281931
Energy: 1.0499161254092084
Energy: 1.0034570318780833
Energy: 1.2411544296904427
Energy: 1.0717822582407959
Energy: 1.0637662962434606
Energy: 1.1370087644569056
Energy: 1.0852099238758757
Energy: 1.1272268549687954
Energy: 1.099520766588476
Energy: 1.0846978536183083
Energy: 1.0631992821872216
Energy: 1.0367414247624593
Energy: 1.0365838067156747
Energy: 1.0634680425576823
Energy: 1.0371081599353635
Energy: 1.0645909056011202
Energy: 1.0655487882929655
Energy: 1.1061135879050061
Energy: 1.0628461479569926
Energy: 1.0672159461200206
Energy: 1.1135773086274114
Energy: 1.0640474169910161
Energy: 1.0621752618783613
Energy: 1.08067995700735
Energy: 1.0805964394499936
Energy: 1.0631406035052127
Energy: 1.0805736713607748
Energy: 1.0802455669260755
Energy: 1.0742007157755649
Energy: 1.118282064192531
Energy: 1.1436833052224908
Energy: 1.0765849642508385
Energy: 1.0989487813541903
Energy: 1.0619166950366055
Energy: 1.0971096667377276
Energy: 1.1524714647170642
Energy: 1.1154180522000228
Energy: 1.036734425774516
Energy: 1.151610531297439
Energy: 1.0522030416888615
Energy: 1.0323852127780409
Energy: 1.0649517713937653
Energy: 1.065190114380758
Energy: 1.0538973940350918
Energy: 1.0765716037063902
Energy: 1.1151419772413773
Energy: 1.062645507857995
Energy: 1.0742212954737076
Energy: 1.1018654006687032
Energy: 1.1047349033015113
Energy: 1.0272748313857218
Energy: 1.1040740732640788
Energy: 1.1588789352371818
Energy: 1.0288046359796834
Energy: 1.0289979388743213
Energy: 1.1602013285141595
Energy: 1.037055201481401
Energy: 1.0993300292704868
Energy: 1.1170537547969088
Energy: 1.0612758682246144
Energy: 1.0615622333026653
Energy: 1.1177056503711749
Energy: 1.063254754775714
Energy: 1.1166279426653396
Energy: 1.0789426650087097
Energy: 1.0556858521822883
Energy: 1.0553180493241312
Energy: 1.0201540588316553
Energy: 1.0570445086253368
Energy: 1.1767617845353868
Energy: 1.1220119909171609
Energy: 1.0532625265334088
Energy: 1.0535878713386995
Energy: 1.1203738020302079
Energy: 1.058727505503722
Energy: 1.053504238945978
Energy: 1.0597145159694865
Energy: 1.054402789980043
Energy: 1.0538033817672536
Energy: 1.0464019421512663
Energy: 1.053453826896729
Energy: 1.0542451850298071
Energy: 1.1519830124339334
Energy: 1.062717586262865
Energy: 1.0624049746622017
Energy: 1.184195883837989
Energy: 1.139853661902962
Energy: 1.0622685978397053
Energy: 1.2377778198871905
Energy: 1.0747585893306144
Energy: 1.1070234484043695
Energy: 1.2378096608689344
Energy: 1.0962081521294553
Energy: 1.1212073986221305
Energy: 1.2132619374961349
Energy: 1.0765697568679422
Energy: 1.06944171536073
Energy: 1.286223824781392
Energy: 1.0882863001468692
Energy: 1.0936558011730715
Energy: 1.0767480015109712
Energy: 1.0707410812151144
Energy: 1.063027055473613
Energy: 1.150301507818518
Energy: 1.0818810861955404
Energy: 1.098654951898292
Energy: 1.3698792990978979
Energy: 1.0872208233400666
Energy: 1.0996372217117512
Energy: 1.079212265199516
Energy: 1.0869654057618627
Energy: 1.099553985402737
Energy: 1.0766945553390503
Energy: 1.0737326416054127
Energy: 1.005892527018533
Energy: 1.1255773775817461
Energy: 1.0110415888063438
Energy: 1.0967078851005279
Energy: 1.0690544617974214
Energy: 1.0772288748361833
Energy: 1.0773069098002852
Energy: 1.0794797214772902
Energy: 1.0950264494984803
Energy: 1.0773541842552672
Energy: 1.0696063985055149
Energy: 1.033223402224603
Energy: 1.0835038938483166
Energy: 1.0717377870213183
Energy: 1.0957269946042647
Energy: 1.033172374220947
Energy: 1.0709650490023939
Energy: 1.0287328279081118
Energy: 1.1001912572916699
Energy: 1.074280468391705
Energy: 1.0357048216467226
Energy: 1.0427361134521906
Energy: 1.0580621897437401
Energy: 1.0290807647263498
Energy: 1.0290223604333677
Energy: 1.0085893220643758
Energy: 1.0361069796092517
Energy: 1.0093610473513033
Energy: 1.060914904703892
Energy: 1.0481022187492708
Energy: 1.0587445227257388
Energy: 1.0322196919144397
Energy: 1.0028026261810719
Energy: 1.0460845849062739

minimum gb energy = 0.9955019501293764 eV
minimum distance =  2.24274253142472 Angstroms
sigma value = 81


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

Energy: 2.1843095489402966
Energy: 1.077798832758923
Energy: 0.9984473876368919
Energy: 1.0003741735670149
Energy: 1.0822335737028228
Energy: 1.0774061050242625
Energy: 0.9995760257665464
Energy: 1.0313792794636634
Energy: 1.0306681444911199
Energy: 1.0489762404387823
Energy: 1.0115209523045434
Energy: 1.0920188344506536
Energy: 1.1007824673794813
Energy: 1.0366362445532131
Energy: 1.0367749980390886
Energy: 1.0040966339246329
Energy: 1.036108423097686
Energy: 1.06980169824189
Energy: 1.1009246266947939
Energy: 1.0372098782111725
Energy: 1.1344827267502215
Energy: 1.1023717096027188
Energy: 1.066475815096433
Energy: 1.012803421921192
Energy: 1.102237870526138
Energy: 1.012827925681566
Energy: 1.1175217393212233
Energy: 1.1030165621722892
Energy: 1.1469391196642271
Energy: 1.013965941547462
Energy: 1.1016779569031099
Energy: 1.1090140907080281
Energy: 1.1108374191859154
Energy: 1.135184983534671
Energy: 1.091059042825401
Energy: 1.1100632772028665
Energy: 1.0998985762451394
Energy: 1.0519896536465032
Energy: 1.0921212904792215
Energy: 1.1104280052519881
Energy: 1.1052044029260413
Energy: 1.0912822453689683
Energy: 1.0708771215346402
Energy: 1.2737992386847865
Energy: 1.2447241705116041
Energy: 1.0054410661500879
Energy: 1.1805315735651192
Energy: 1.0464150268446306
Energy: 1.1017647711715814
Energy: 1.074928178727219
Energy: 1.1153055201934443
Energy: 1.1167962300669667
Energy: 1.0770619707247238
Energy: 1.0720100719130652
Energy: 1.1839947116055902
Energy: 1.004144517409399
Energy: 1.00410791832841
Energy: 1.1473580374650307
Energy: 1.028579852686088
Energy: 1.0039381028042886
Energy: 1.1015192371514577
Energy: 1.0286652281285866
Energy: 1.0037609944698642
Energy: 1.1038131689927655
Energy: 0.9758353212319704
Energy: 1.0728453916243905
Energy: 1.0642710755378684
Energy: 1.0766329252945748
Energy: 1.0745733086330327
Energy: 1.066761926290164
Energy: 1.079062574314693
Energy: 1.0770454961121525
Energy: 1.0644203097207259
Energy: 1.1161337166829852
Energy: 1.1143930389765442
Energy: 1.037220911892367
Energy: 1.116836594649298
Energy: 1.0017772227776287
Energy: 1.0998852665391339
Energy: 1.12426836513958
Energy: 1.1110875038874992
Energy: 1.0906893637248676
Energy: 1.117464389303541
Energy: 1.1115721638144325
Energy: 1.1006353294178368
Energy: 1.1405226198542828
Energy: 1.116813800622797
Energy: 1.1063829669865766
Energy: 1.1405346366752893
Energy: 1.1062227455331648
Energy: 1.117266479039869
Energy: 1.1076787663224508
Energy: 1.1062016528530543
Energy: 1.11723833100606
Energy: 1.0683343827341691
Energy: 1.1060286525464202
Energy: 1.2646041178084344
Energy: 1.004645938654653
Energy: 1.0050889756893664
Energy: 1.264791161127105
Energy: 1.0050807292061497
Energy: 1.0469618624063541
Energy: 1.0414752457231398
Energy: 1.068298917731112
Energy: 1.0681223289335533
Energy: 1.0821519878001662
Energy: 1.0669275716849436
Energy: 1.1060471375080607
Energy: 0.9403226490025904
Energy: 1.042531570648666
Energy: 0.9361608293410923
Energy: 0.9383905325831039
Energy: 1.1195407138625066
Energy: 0.9361090248014732
Energy: 0.939310024174902
Energy: 1.0426503952332409
Energy: 0.9363593393099305
Energy: 0.937129366123088
Energy: 1.1322363546187797
Energy: 0.9363628581663389
Energy: 1.0414625211696995
Energy: 1.0671262400266797
Energy: 1.068571984501381
Energy: 1.08218510417099
Energy: 1.067978713220494
Energy: 1.070648015259167
Energy: 1.1055007840353037
Energy: 1.0015198777059044
Energy: 1.0658690823576957
Energy: 1.105737238472068
Energy: 1.0008592067915532
Energy: 1.0711080309733738
Energy: 1.1052094530887848
Energy: 1.1059764016698028
Energy: 1.1054359060222172
Energy: 1.1055465032160867
Energy: 1.068725576328837
Energy: 1.1058871793576486
Energy: 1.0951753067902779
Energy: 1.1058247934056886
Energy: 1.1068073827816975
Energy: 1.1061908837986836
Energy: 1.106789035097654
Energy: 1.106587877967106
Energy: 1.0971501179060876
Energy: 1.1169277763614964
Energy: 1.117053420613904
Energy: 1.0907221901608877
Energy: 1.1301601480144643
Energy: 1.124439157412806
Energy: 1.0721063448691992
Energy: 1.2186597252061686
Energy: 1.1514992375647906
Energy: 1.004908880875914
Energy: 1.2788438803517252
Energy: 1.1143845601217348
Energy: 1.090408365923285
Energy: 1.075115284728218
Energy: 1.075706182749337
Energy: 1.005167773913026
Energy: 1.2782245338291514
Energy: 1.1121173871830652
Energy: 1.0966176242628307
Energy: 1.0283152935108593
Energy: 1.0733475246393391
Energy: 1.1028689001417664
Energy: 1.002551410116566
Energy: 1.073100430098541
Energy: 1.1724298169382004
Energy: 1.0045055734776625
Energy: 1.0047050867372107
Energy: 1.1747785424407784
Energy: 1.004330000060832
Energy: 1.0043830185481721
Energy: 1.1105413774916197
Energy: 1.0748675551718148
Energy: 1.1133097340931528
Energy: 1.074581394469784
Energy: 1.0961493477026292
Energy: 1.0723822396652716
Energy: 1.0640369446448432
Energy: 1.1069242254593714
Energy: 1.0746060275836107
Energy: 1.0357543433190246
Energy: 1.1088609821217146
Energy: 1.0013807434967108
Energy: 1.113027880643196
Energy: 1.0541401398350012
Energy: 1.0538317543317652
Energy: 1.1325075248944085
Energy: 1.0967890272788685
Energy: 1.0529759666585095
Energy: 1.1103827652101517
Energy: 1.1056371243480125
Energy: 1.1047088625282546
Energy: 1.149147316945163
Energy: 1.054024842583126
Energy: 1.1067674469561095
Energy: 1.1128009336101636
Energy: 1.1041789279433585
Energy: 1.1144258491024177
Energy: 1.114315064804395
Energy: 1.1027832461503875
Energy: 1.0715199956024557
Energy: 1.1110394026307262
Energy: 1.0842092561526677
Energy: 1.1414012142213799
Energy: 1.112637238172565
Energy: 1.0044792819439594
Energy: 1.0519404269646746
Energy: 1.2680583688559426
Energy: 1.0046268756297745
Energy: 1.0037744080756321
Energy: 1.1737492520142387
Energy: 1.0052879005107516
Energy: 1.1110785546108357
Energy: 1.101289523484334
Energy: 1.0344166105726296
Energy: 1.0362640703339672
Energy: 1.048867467221567
Energy: 1.011474762664929
Energy: 1.052163803451201
Energy: 1.0339040437839062
Energy: 1.0077340066793237
Energy: 0.9990286739557988
Energy: 0.9703789736337454
Energy: 1.0265688945418887
Energy: 1.0799429191712844

minimum gb energy = 0.9361090248014732 eV
minimum distance =  2.24480854694248 Angstroms
sigma value = 43


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

Energy: 0.9855153291613357
Energy: 1.1829240793576838
Energy: 1.093310931608977
Energy: 1.027673323810035
Energy: 1.1432165805562302
Energy: 1.0274407082239716
Energy: 0.9947708356615338
Energy: 1.005303314887791
Energy: 0.988979338987829
Energy: 1.060484565439069
Energy: 1.0272633305031693
Energy: 1.005761357528088
Energy: 1.0044786364580474
Energy: 0.9795501130218355
Energy: 0.9794932831699967
Energy: 1.0034180812875004
Energy: 0.9799227798404632
Energy: 0.996072583047139
Energy: 1.0050736996388898
Energy: 0.9794032301740182
Energy: 0.9977319296114603
Energy: 0.9976418534649367
Energy: 1.034108824289815
Energy: 0.9976804499316381
Energy: 1.0065580723696894
Energy: 0.9962794087268172
Energy: 1.0415129896595754
Energy: 1.0069590638203607
Energy: 1.0285002213033112
Energy: 1.0463938412323748
Energy: 1.005998757041599
Energy: 1.0514076993798886
Energy: 1.04384963893282
Energy: 1.0203795385639218
Energy: 0.997124501943482
Energy: 1.0332085854653956
Energy: 1.0074124746321855
Energy: 1.0066700175612706
Energy: 1.0066897915447415
Energy: 1.0074942044344202
Energy: 1.00697740679014
Energy: 1.0067833363133192
Energy: 1.0744782070069212
Energy: 0.9990267125846413
Energy: 0.998502309161642
Energy: 0.9891594161489257
Energy: 0.9995984768121668
Energy: 0.9958489555742659
Energy: 1.0087903307732298
Energy: 1.0069432793607083
Energy: 1.0068974234681518
Energy: 1.008721167273959
Energy: 1.0065995643932095
Energy: 1.0065094880121446
Energy: 1.2988995454009455
Energy: 0.9984160821957844
Energy: 0.9983512612708044
Energy: 1.2509787045728147
Energy: 0.9987299697192842
Energy: 0.998146648508375
Energy: 0.9916344925438207
Energy: 1.0153702301995764
Energy: 0.9911394923351524
Energy: 1.0082957567330417
Energy: 1.0239503472813671
Energy: 0.9888150543582795
Energy: 1.02180028232624
Energy: 0.9993696320272866
Energy: 0.9986362484182356
Energy: 0.9934818657761068
Energy: 0.9980869682256474
Energy: 0.9978121676230424
Energy: 1.0221358280129047
Energy: 1.0725032194991526
Energy: 1.0118956774277819
Energy: 0.9923030123379062
Energy: 1.0625656458112311
Energy: 1.0118686670132282
Energy: 0.9916032500965533
Energy: 1.0069917345558421
Energy: 1.1077700523847913
Energy: 1.0082489124326397
Energy: 1.0065787170689995
Energy: 0.9894143956122017
Energy: 0.9915910973265089
Energy: 0.9837010120050346
Energy: 0.9901689329737348
Energy: 0.9918008923551754
Energy: 0.979034452770376
Energy: 0.9914190615702302
Energy: 0.99157478635536
Energy: 1.0196183594434398
Energy: 0.9925450655599691
Energy: 0.9917175244100767
Energy: 1.0068537593804954
Energy: 0.9909606016624838
Energy: 0.9897544045306405
Energy: 0.9900104123357254
Energy: 0.9898976323456
Energy: 0.989719862369536
Energy: 1.0432820731300798
Energy: 0.9900917916062599
Energy: 0.9891063525101028
Energy: 0.9916572527437029
Energy: 0.9931306011014672
Energy: 1.0416472151599785
Energy: 1.017510235116402
Energy: 0.9933196233835736
Energy: 1.0087292603268085
Energy: 0.9889867007291641
Energy: 0.9891449850074282
Energy: 1.0046705226396797
Energy: 0.9892395645660809
Energy: 0.998657641521047
Energy: 1.0088812812119512
Energy: 0.9888850224734097
Energy: 0.9891068217568355
Energy: 1.0630258116206168
Energy: 0.9893999117274938
Energy: 0.9976851919735219
Energy: 0.9883969827578694
Energy: 0.9917322195433997
Energy: 1.0397131918760187
Energy: 1.0417696125236353
Energy: 1.0207273866872921
Energy: 0.993273769381957
Energy: 1.1271270416632577
Energy: 1.0133510258986096
Energy: 1.0135451137307327
Energy: 1.1271161617127434
Energy: 0.9817046957936079
Energy: 1.080966909923927
Energy: 1.0436140913168543
Energy: 0.9916590717440001
Energy: 0.9924617371334385
Energy: 1.0185569660924858
Energy: 1.0167781152849604
Energy: 0.9932828057265064
Energy: 1.0587396432699065
Energy: 1.0427633071226432
Energy: 0.989486918718013
Energy: 0.9870459707660671
Energy: 0.9900243240176272
Energy: 0.9893205308625439
Energy: 1.0435418177594094
Energy: 0.9900297369653897
Energy: 0.990011725323512
Energy: 1.0405096500183282
Energy: 0.9900353971656843
Energy: 0.9922341535709879
Energy: 1.0571288017565335
Energy: 0.9915801945091044
Energy: 0.9983413537304464
Energy: 0.996878307672467
Energy: 0.9915560216714329
Energy: 0.9850030132037207
Energy: 1.058473903237098
Energy: 0.9982700280065117
Energy: 0.9978698437571694
Energy: 1.006846688384238
Energy: 0.998163900079095
Energy: 0.9984312369461045
Energy: 1.0776836511796042
Energy: 1.058861685209867
Energy: 0.9964626198435835
Energy: 1.0073755825925983
Energy: 1.014402840773851
Energy: 1.005942311946638
Energy: 0.9998858720016264
Energy: 0.9963368621949245
Energy: 0.996315017185221
Energy: 1.0001744796373093
Energy: 0.988782818232789
Energy: 0.9964145820555765
Energy: 0.9966396925599267
Energy: 1.0055379566724187
Energy: 1.0493131605590476
Energy: 1.0781867305328359
Energy: 1.0086022772030199
Energy: 1.00671362541689
Energy: 0.9977402836192768
Energy: 1.1296326278450302
Energy: 1.0569018092778137
Energy: 1.013775332281849
Energy: 1.1403107524579104
Energy: 1.0576148554643106

minimum gb energy = 0.979034452770376 eV
minimum distance =  2.25245125526152 Angstroms
sigma value = 57


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

Energy: 1.2377915338757
Energy: 1.0373091879178316
Energy: 1.037481902803821
Energy: 0.975876542655341
Energy: 1.0899931710335944
Energy: 1.0379745817738693
Energy: 0.9130581148967825
Energy: 1.0292900415719117
Energy: 1.0266357581499097
Energy: 0.9989478591953393
Energy: 0.9978883163203603
Energy: 1.027283437554204
Energy: 0.9996083021856828
Energy: 0.9665702580107112
Energy: 0.9415006214770505
Energy: 0.9807809854011834
Energy: 0.9673335817928539
Energy: 0.9136520852378415
Energy: 0.9786120343309481
Energy: 0.9648231369521962
Energy: 0.940462992892818
Energy: 0.9796153750252035
Energy: 0.9664144503680955
Energy: 0.97903327158114
Energy: 0.9787572670438421
Energy: 0.9806806444062235
Energy: 1.0030841379290378
Energy: 0.9791072413088721
Energy: 0.9823415832890859
Energy: 0.9765086537529712
Energy: 0.9137843327973626
Energy: 0.9767035752879818
Energy: 1.003265535457428
Energy: 0.9809057857790568
Energy: 0.9949135906706112
Energy: 0.9798730488097701
Energy: 0.9987155085179616
Energy: 0.979480209936288
Energy: 0.9795820545391141
Energy: 0.998750115481406
Energy: 0.9802447921606691
Energy: 0.9793260712770492
Energy: 0.9783846253615138
Energy: 0.9747737530131765
Energy: 0.9803775207383567
Energy: 0.9502503071918943
Energy: 0.9740165102181859
Energy: 1.0098713445002354
Energy: 0.9991300526531839
Energy: 0.9820178455075201
Energy: 1.0103017298286578
Energy: 0.9979583612092248
Energy: 1.0299965540855716
Energy: 1.0287200895679876
Energy: 1.0781594785006616
Energy: 0.9777908791876241
Energy: 0.9774965803928884
Energy: 1.078259604997858
Energy: 0.9776848173052584
Energy: 0.9780581140595133
Energy: 1.074358378037959
Energy: 1.007367194508084
Energy: 1.0104414196080131
Energy: 0.9990758684367879
Energy: 1.02696784180872
Energy: 0.9793596858368367
Energy: 0.9142601382530852
Energy: 1.0272707567246044
Energy: 0.9793180107841915
Energy: 0.916341895772508
Energy: 0.9983678096944606
Energy: 1.030501724225214
Energy: 0.9132794761530192
Energy: 0.979887378725248
Energy: 1.0303342864688119
Energy: 0.9643672983281835
Energy: 0.9994145766843782
Energy: 1.030216533250732
Energy: 1.0762727354293857
Energy: 1.029529209055134
Energy: 1.0259713927007232
Energy: 0.9976526841279015
Energy: 0.998739875368357
Energy: 0.9802845641830698
Energy: 0.9794030372021717
Energy: 0.914777793782032
Energy: 0.9417309534901352
Energy: 0.9793765830357178
Energy: 0.9162398697952095
Energy: 0.9414503543519434
Energy: 0.9797350964999423
Energy: 0.9803391906537238
Energy: 0.9809314948003474
Energy: 0.9800555874725
Energy: 0.9807442797949829
Energy: 0.9794683603817662
Energy: 0.979429017456917
Energy: 0.9811881107014065
Energy: 1.0016663496349947
Energy: 0.9975664509427128
Energy: 0.9811774781790847
Energy: 1.0032429842062447
Energy: 0.9797362803060777
Energy: 0.9821242143001226
Energy: 0.9768829050831754
Energy: 0.9780842425756812
Energy: 0.9798733759479149
Energy: 0.9820064892246433
Energy: 0.9983509774614562
Energy: 0.9792234923551657
Energy: 0.9793152427796186
Energy: 0.9984319519188466
Energy: 0.9807852752271007
Energy: 1.009525660003027
Energy: 0.9979470718367828
Energy: 0.9800945456391627
Energy: 1.0097764359101762
Energy: 0.999332540392379
Energy: 0.9805852966325468
Energy: 1.0094630228861061
Energy: 0.9980104426277152
Energy: 1.0302080525085044
Energy: 1.0296582651068287
Energy: 0.9985210380543806
Energy: 1.0302095897395047
Energy: 0.9793839402823021
Energy: 1.0890817856400397
Energy: 0.9775792035382669
Energy: 0.977942673604511
Energy: 1.0890277290671548
Energy: 0.9774557619078511
Energy: 0.97936718755065
Energy: 1.0751170041195515
Energy: 1.0296662533695868
Energy: 1.0300631383919665
Energy: 0.9975312980046458
Energy: 0.998949545881325
Energy: 1.028207494680843
Energy: 0.91314875138159
Energy: 0.9796580029360195
Energy: 1.0301898511802614
Energy: 0.9645066262358791
Energy: 0.9688094652748908
Energy: 1.030244955702036

minimum gb energy = 0.9130581148967825 eV
minimum distance =  2.25433846581564 Angstroms
sigma value = 17


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

Energy: 0.8941263825383197
Energy: 1.1026244091274955
Energy: 1.2099358795378665
Energy: 0.94526190111666
Energy: 1.0254904215777276
Energy: 1.0280249738497984
Energy: 0.9448916801147117
Energy: 1.0692975063858086
Energy: 1.0741605803343977
Energy: 1.0919275550504828
Energy: 1.0901166963327351
Energy: 0.9902537146452471
Energy: 1.0013073893870978
Energy: 0.9538086274381201
Energy: 0.9532450766262116
Energy: 1.0373282520102454
Energy: 0.9534537403603478
Energy: 0.9452608341032713
Energy: 1.0689722467878982
Energy: 0.9532958674164989
Energy: 0.9500282826948357
Energy: 1.068996147367211
Energy: 0.8787930667567667
Energy: 1.0693196037840442
Energy: 0.927024778901656
Energy: 0.9647688371315657
Energy: 0.9656043652762649
Energy: 0.9278144209569715
Energy: 0.963825385218087
Energy: 0.9653826320166534
Energy: 0.945393945346228
Energy: 0.9133961848637268
Energy: 0.9650963883468792
Energy: 0.966020264638908
Energy: 0.9135360714248769
Energy: 0.9650142574981079
Energy: 0.9134549063005055
Energy: 0.9123916914393193
Energy: 0.912782440459874
Energy: 0.913523362550212
Energy: 0.9134065156754084
Energy: 0.9401719559037067
Energy: 0.913330281460203
Energy: 0.9687024041264841
Energy: 0.9689532529479229
Energy: 0.9701361798716478
Energy: 0.9702379241378452
Energy: 1.0016236913972438
Energy: 0.9158107572743969
Energy: 0.9690240438309097
Energy: 0.9689825878913554
Energy: 0.9133841142755629
Energy: 0.9632739943152513
Energy: 0.9131007067862885
Energy: 0.9132334697867339
Energy: 0.9649244017182231
Energy: 0.9660120947606715
Energy: 0.9130720101759375
Energy: 0.9552139083271957
Energy: 0.9644437000966956
Energy: 0.9130041165075334
Energy: 0.965751778506497
Energy: 0.9651724869625385
Energy: 0.9640547363987391
Energy: 0.9278586051585055
Energy: 0.9662475023793292
Energy: 0.92821890382522
Energy: 1.068852427468354
Energy: 1.0688836216272817
Energy: 0.9291201251308158
Energy: 1.0689929890803958
Energy: 1.0689873447632763
Energy: 0.9256274454740551
Energy: 1.070078776028413
Energy: 1.0743123918862476
Energy: 0.9667371722351855
Energy: 1.0696340316444977
Energy: 1.073936358123582
Energy: 1.0829017884848766
Energy: 1.0692832095334495
Energy: 1.0734813853897645
Energy: 1.0828218285274993
Energy: 1.0707637100667557
Energy: 0.9670945864030579
Energy: 1.2083985609691184
Energy: 1.069942947016925
Energy: 1.0678857251660006
Energy: 1.0264040758713662
Energy: 1.0350439837585423
Energy: 1.0902170878619406
Energy: 1.0047727532116038
Energy: 1.0910046192705483
Energy: 0.9920208919083696
Energy: 1.0829470031711883
Energy: 1.0833280807588337
Energy: 1.0735282633050736
Energy: 0.8796721624210052
Energy: 1.0693476070300691
Energy: 1.1915217162545575
Energy: 0.8823792411014119
Energy: 1.0691021011687358
Energy: 1.1914553734775823

minimum gb energy = 0.8787930667567667 eV
minimum distance =  2.27864030235082 Angstroms
sigma value = 17


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

Energy: 0.8589376036895536
Energy: 1.2122633425173452
Energy: 0.9839043352392113
Energy: 0.9532313744641432
Energy: 1.0757656307631438
Energy: 0.984140417168629
Energy: 0.9497382557071375
Energy: 1.060487272728585
Energy: 1.0505609709298074
Energy: 1.0595904002273373
Energy: 1.0625658816276946
Energy: 0.9049109457183436
Energy: 1.2364228891598927
Energy: 0.9053377141582574
Energy: 0.9328023953723776
Energy: 1.0595819627599872
Energy: 0.9063425156565615
Energy: 0.9315716803390901
Energy: 1.0648093346017307
Energy: 0.9014890996732879
Energy: 0.9421117856612402
Energy: 1.0598617764065223
Energy: 0.8577787444729339
Energy: 0.950088387536687
Energy: 0.9158526188320757
Energy: 0.933045705009587
Energy: 0.9217324707595957
Energy: 0.9166017510166465
Energy: 0.9313782622792205
Energy: 0.9049721477689529
Energy: 0.8239356841363925
Energy: 0.9020218569744994
Energy: 0.9035560705582835
Energy: 0.9040886381257689
Energy: 0.9028339814798614
Energy: 0.9038516522758704
Energy: 0.8358858106175011
Energy: 0.9022592489323557
Energy: 0.9024858827136473
Energy: 0.8672810550807822
Energy: 0.9047665440746118
Energy: 0.8956257958371124
Energy: 0.83664004908328
Energy: 0.8858432907931864
Energy: 0.895068473257525
Energy: 0.908955835853345
Energy: 0.886100677867592
Energy: 0.8947340547603265
Energy: 0.8382756036560133
Energy: 0.8944402586691187
Energy: 0.8797468375526682
Energy: 0.8399185661919071
Energy: 0.838817227714946
Energy: 0.8378853484264634
Energy: 0.8374213227545895
Energy: 0.8908977338554058
Energy: 0.8910560901345493
Energy: 0.837462501955276
Energy: 0.8903138535650305
Energy: 0.8906862276034287
Energy: 0.8528538137216839
Energy: 0.8366317656723222
Energy: 0.8891684388250749
Energy: 0.8892895676749442
Energy: 0.8379633197720585
Energy: 0.8892883942642102
Energy: 0.8397294400298743
Energy: 0.8376055679499291
Energy: 0.8379525055628837
Energy: 0.8413390445665215
Energy: 0.837366655173129
Energy: 0.8763550282012748
Energy: 0.8362800621610119
Energy: 0.8941930355999407
Energy: 0.8936468304391981
Energy: 0.8697103912364912
Energy: 0.8792465594763215
Energy: 0.8940866407022465
Energy: 0.9020922115690911
Energy: 0.9011090101256657
Energy: 0.9004715348687973
Energy: 0.9024830164424744
Energy: 0.8670212164725666
Energy: 0.902587632796482
Energy: 0.9026210716543611
Energy: 0.898360158724144
Energy: 0.9071250388670625
Energy: 0.9023982525168064
Energy: 0.897731923550148
Energy: 0.920906609163719
Energy: 1.2175114747819495
Energy: 0.9499509687831033
Energy: 0.9052863625332561
Energy: 0.930854107014862
Energy: 0.9181138766350623
Energy: 0.9210602593075783
Energy: 0.8373160459854767
Energy: 1.0604404438442756
Energy: 1.0606170721416301
Energy: 0.8389806499411041
Energy: 1.0602081750689045
Energy: 0.9221821336613891
Energy: 0.8376053993578345
Energy: 1.050586394947794
Energy: 1.018238106149445
Energy: 0.8397155117067838
Energy: 1.0603412207437597
Energy: 0.9206782527075709
Energy: 1.2132275212670536
Energy: 1.059776688719426
Energy: 0.9604570808856434
Energy: 1.0612870882602405
Energy: 0.9206773765170725
Energy: 0.9216689686101118
Energy: 1.3348804035458632
Energy: 0.9327079717424194
Energy: 0.9326158730363832
Energy: 1.0613351275180307
Energy: 0.9251735817278798
Energy: 1.0586322352926538
Energy: 1.2329237680454566
Energy: 1.0502450357011337
Energy: 1.0382835075242924
Energy: 1.0617535348727518
Energy: 1.1111787580719144
Energy: 1.0507910333159876
Energy: 0.8514063649016982
Energy: 1.0614593036154722
Energy: 1.1360794302757822
Energy: 0.8827733991841117
Energy: 1.068514823247982
Energy: 0.9422136029558302
Energy: 0.8560336455752996
Energy: 1.0605712488524934
Energy: 1.050874970111964
Energy: 0.857715565646468
Energy: 1.0614915850819293
Energy: 1.1357175701449411
Energy: 1.2316739930876233
Energy: 0.9471071567595915
Energy: 1.0368624959772865
Energy: 1.0618158549294385
Energy: 0.8503337656742161
Energy: 1.0182115641725813
Energy: 1.0597426932609937
Energy: 0.9054944563271106
Energy: 0.9321794361088159
Energy: 1.059689574729856
Energy: 0.906293017052846
Energy: 0.9327572836637393
Energy: 1.0623150717667955
Energy: 0.9333561194489894
Energy: 0.9238453157426016
Energy: 1.0624185698374842
Energy: 0.9045332526116104
Energy: 0.9319715974898087
Energy: 0.8227360369219201
Energy: 0.935569152845329
Energy: 0.9209153905401057
Energy: 0.904167543543567
Energy: 0.9418201895011717
Energy: 0.9038354452658016
Energy: 0.8209759009378603
Energy: 0.9022653944909692
Energy: 0.9020150781754227
Energy: 0.8210138328623295
Energy: 0.9043492861787334
Energy: 0.9021025145978996
Energy: 0.8369764555141206
Energy: 0.895343449073051
Energy: 0.8981135770701321
Energy: 0.8731217378396116
Energy: 0.8538938373638894
Energy: 0.898737939941049
Energy: 0.8376966642295216
Energy: 0.8854892294791865
Energy: 0.8944079054208091
Energy: 0.8377275731647178
Energy: 0.8861928234042655
Energy: 0.8942749724190947
Energy: 0.8433159568653942
Energy: 0.8941766214112215
Energy: 0.8956662260214542
Energy: 0.8376136377831177
Energy: 0.8914005190703645
Energy: 0.8710093558074995
Energy: 0.8517749088344145
Energy: 0.8917923175283243
Energy: 0.8961785408217808
Energy: 0.9055817163735316
Energy: 0.892296929560135
Energy: 0.8963777780527801
Energy: 0.8512133090060371
Energy: 0.83716387368133
Energy: 0.837722730488864
Energy: 0.8515625681870969
Energy: 0.8384369640286872
Energy: 0.8377590720067695
Energy: 0.8399473690579683
Energy: 0.8950197739197902
Energy: 0.9009723575993739
Energy: 0.8952118107309842
Energy: 0.8365664595261111
Energy: 0.9026966172650662
Energy: 0.9020127631873273
Energy: 0.9015454494752458
Energy: 0.9019594768093294
Energy: 0.9022762290229528
Energy: 0.9028143514763426
Energy: 0.9030767905222337
Energy: 0.9020408212162825
Energy: 0.8961276363316251
Energy: 0.922163110422388
Energy: 0.9021555513284937
Energy: 0.8962881974053443
Energy: 0.9335396253162696
Energy: 1.2203748349413577
Energy: 0.9062017687163275
Energy: 0.9208434469107362
Energy: 0.9044348839126363
Energy: 0.8422583675253741
Energy: 0.9220393712446192
Energy: 0.8363001365903386
Energy: 1.059920229774219
Energy: 1.060315517430226
Energy: 0.8931491836868432
Energy: 1.061656660256528
Energy: 0.9318988197248003
Energy: 0.8376246722635716
Energy: 1.048976836665747
Energy: 0.9350121850668595
Energy: 0.9076080404999646
Energy: 1.0622979809838156
Energy: 0.932991205139971
Energy: 0.9012615673419999
Energy: 1.0616713658204824
Energy: 1.0200886792477022
Energy: 0.9196036142117388
Energy: 1.0629687723484222
Energy: 0.95645697890439
Energy: 1.2159955214660672
Energy: 0.9243071916992568
Energy: 1.0184895333004842
Energy: 1.0686839111317448
Energy: 0.9241743142847657
Energy: 1.0595841986409074
Energy: 1.2312356373831463
Energy: 0.9573032715503389
Energy: 1.049746329339951
Energy: 1.0643431746910823
Energy: 0.8926875062939326
Energy: 1.0186034894373783
Energy: 0.8578877058951337
Energy: 1.0617195017406371
Energy: 1.0183900791102347
Energy: 0.8594001694052832
Energy: 1.063626781459834
Energy: 1.135631746131811

minimum gb energy = 0.8209759009378603 eV
minimum distance =  2.26463511430395 Angstroms
sigma value = 57


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

Energy: 0.7855534344491835
Energy: 1.1532388278907042
Energy: 0.9522903190464581
Energy: 0.851491458439136
Energy: 1.4943725396377885
Energy: 0.919973192563644
Energy: 1.1843944435971125
Energy: 1.015885123477828
Energy: 0.8646538997581689
Energy: 1.0234831545751024
Energy: 1.0275326089529968
Energy: 0.863228906313794
Energy: 1.1446280148397312
Energy: 0.8514250506889025
Energy: 0.7975448684701473
Energy: 1.0372845174420628
Energy: 0.8537029428540507
Energy: 0.9047183726538186
Energy: 1.0290445627805023
Energy: 0.8512904573882419
Energy: 0.9013523556903573
Energy: 1.0296428603969359
Energy: 0.788789679302555
Energy: 0.929512362425496
Energy: 0.8703844977325692
Energy: 0.865585470436424
Energy: 0.8657395657596894
Energy: 0.8713262049301997
Energy: 0.8844502674559488
Energy: 0.8631260172804226
Energy: 0.7665529628956427
Energy: 0.8818710423499728
Energy: 0.8494559522739886
Energy: 0.8243618485485168
Energy: 0.8820738944928591
Energy: 0.8502966936595154
Energy: 1.0304396589790012
Energy: 0.889479649081572
Energy: 0.8818682496540919
Energy: 0.843453245488099
Energy: 0.886842892274783
Energy: 0.8586763322481198
Energy: 1.1003107569529138
Energy: 0.8227215246747893
Energy: 0.8228077761628696
Energy: 0.8988212602320543
Energy: 0.8226237325624194
Energy: 0.8369724137687268
Energy: 0.8107077063303354
Energy: 0.836381880442331
Energy: 0.8071989645744723
Energy: 0.8120203457302112
Energy: 0.7745594903358111
Energy: 0.8073609688907607
Energy: 0.8074184391862184
Energy: 0.8330537035430681
Energy: 0.8324845704531053
Energy: 0.8075193727996532
Energy: 0.832375314085838
Energy: 0.8331409259551326
Energy: 0.7814565376385499
Energy: 0.7742103771542542
Energy: 0.8182960759962118
Energy: 0.8136446050416005
Energy: 0.7742494551320521
Energy: 0.8183067488783126
Energy: 0.8110506292486535
Energy: 0.7742107608914124
Energy: 0.7740904253614138
Energy: 0.812811056209199
Energy: 0.7809621692377896
Energy: 0.8220047037666534
Energy: 0.8080989903370476
Energy: 0.862789470784024
Energy: 0.8267379154541701
Energy: 0.8119514636897992
Energy: 0.8632937688305138
Energy: 0.8276509932656229
Energy: 0.7745921221667886
Energy: 0.821520255102763
Energy: 0.7734214755562846
Energy: 0.7769979578886201
Energy: 0.806173198916531
Energy: 0.7740154291422054
Energy: 0.7741306789933017
Energy: 0.8186875353002782
Energy: 0.8194867487974246
Energy: 0.7737544377161267
Energy: 0.8187897676331924
Energy: 0.8194621104631586
Energy: 0.9535171958832223
Energy: 0.8079589256832962
Energy: 0.8277837928991582
Energy: 0.8295372698396796
Energy: 0.8074009431298718
Energy: 0.8265214011064588
Energy: 0.7763153623412649
Energy: 0.8073090164007545
Energy: 0.8075694057757976
Energy: 0.7768401543466983
Energy: 0.8155833930608551
Energy: 0.8330587731749935
Energy: 0.7767949898732243
Energy: 0.8510642658361907
Energy: 0.8512603615071596
Energy: 0.7775622077983493
Energy: 0.8364080586709971
Energy: 0.8370293418260166
Energy: 0.8824083019018963
Energy: 0.8288982101177553
Energy: 0.8818755530107772
Energy: 0.8842030899008859
Energy: 0.8241731041909306
Energy: 0.8819516747361775
Energy: 1.1565248439966083
Energy: 0.8457730811497292
Energy: 0.8461294860601422
Energy: 0.934733365414775
Energy: 0.8468924848329124
Energy: 0.869719691115362
Energy: 1.1570443717886352
Energy: 0.9012278112148241
Energy: 0.8593118715717308
Energy: 0.8710008158681777
Energy: 0.9106122532846798
Energy: 0.8711438252441556
Energy: 0.7741509633661734
Energy: 1.024276409673912
Energy: 0.8813386426948272
Energy: 0.9586794804790901
Energy: 1.0238104665981917
Energy: 0.8817983205362053
Energy: 0.8126580372369216
Energy: 0.9887770746095244
Energy: 0.9645379572620104
Energy: 0.813847008111938
Energy: 1.0307913874664343
Energy: 0.9648170709641151
Energy: 1.1516301159054032
Energy: 0.872608839254154
Energy: 0.8623122373064689
Energy: 1.026088014498646
Energy: 0.8559975545448099
Energy: 0.8812467553436771
Energy: 1.1441846170676453
Energy: 0.866187408179654
Energy: 0.8851107386716994
Energy: 1.033319988716758
Energy: 0.8657705656781296
Energy: 1.0111137990763865
Energy: 1.1699032285233133
Energy: 0.9691652007770938
Energy: 0.964045801801553
Energy: 1.0304514832385336
Energy: 1.0314391204883662
Energy: 0.994648092979728
Energy: 0.7818640159577722
Energy: 0.9898003409194576
Energy: 0.9315351524779663
Energy: 0.856734431265138
Energy: 1.0325969344364019
Energy: 0.9041598768912787

minimum gb energy = 0.7665529628956427 eV
minimum distance =  2.29745898495412 Angstroms
sigma value = 43


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

Energy: 0.6808912295454881
Energy: 1.0252322559436795
Energy: 0.834395671080008
Energy: 0.7369808482362609
Energy: 0.9319889912180793
Energy: 0.8167846048061271
Energy: 1.0247443545446535
Energy: 0.7340236044604853
Energy: 0.7333208370941106
Energy: 0.9053071329878842
Energy: 0.8013398890729618
Energy: 0.7183902565469494
Energy: 0.9900550710249664
Energy: 0.7214955987914015
Energy: 0.7006488541433252
Energy: 0.789896011204103
Energy: 0.8355381551694605
Energy: 0.7015248167452547
Energy: 0.9122161577508194
Energy: 0.6999628409158766
Energy: 0.7523823185083456
Energy: 0.9057676293544912
Energy: 0.8311239588573192
Energy: 0.80491359591139
Energy: 0.8349684370548878
Energy: 0.734679495015559
Energy: 0.7307062515473159
Energy: 0.8346212063842525
Energy: 0.7985114409542879
Energy: 0.7185621744252471
Energy: 0.6578117745789069
Energy: 0.7955314756065691
Energy: 0.6980281563459131
Energy: 0.7017387427839136
Energy: 0.7954185277788414
Energy: 0.7558684855329189
Energy: 0.9596731479714723
Energy: 0.7962641703401949
Energy: 0.7959002569044502
Energy: 0.7153267436639713
Energy: 0.7965189919808939
Energy: 0.7040901439726129
Energy: 0.9584331665361074
Energy: 0.6969790623046203
Energy: 0.7113641005718728
Energy: 0.7146042749900074
Energy: 0.6972143674715472
Energy: 0.7111460784606135
Energy: 0.7346621941065072
Energy: 0.7102881626260411
Energy: 0.7313843217728792
Energy: 0.7363038539674197
Energy: 0.755259056090664
Energy: 0.7318781787208999
Energy: 0.7314059609719241
Energy: 0.7038751472155441
Energy: 0.7047408153531395
Energy: 0.7313900925983385
Energy: 0.7012085723785406
Energy: 0.7015748975326279
Energy: 0.6517482829843386
Energy: 0.69065886249399
Energy: 0.7010975238177283
Energy: 0.6873467941331884
Energy: 0.6906334997333513
Energy: 0.6934921953036048
Energy: 0.7313657250558614
Energy: 0.691340696616464
Energy: 0.6908126269921989
Energy: 0.7179305217531214
Energy: 0.6913080318092271
Energy: 0.7097382164883198
Energy: 0.7361613394762759
Energy: 0.6866417951202914
Energy: 0.7204747206355111
Energy: 0.7361996578261959
Energy: 0.6847323193399378
Energy: 0.7354506217126674
Energy: 0.6667257897845669
Energy: 0.6899963767534371
Energy: 0.666188387489152
Energy: 0.6686997364426915
Energy: 0.6926407451257024
Energy: 0.6664681869511265
Energy: 0.6658369286661083
Energy: 0.6872139221586173
Energy: 0.6869651948504623
Energy: 0.665875882300477
Energy: 0.6854415634565368
Energy: 0.6868788099942943
Energy: 0.6589226108400162
Energy: 0.6549734364303873
Energy: 0.6544380298195024
Energy: 0.6840071087704219
Energy: 0.654934882090824
Energy: 0.6837153419644713
Energy: 0.6704909198861804
Energy: 0.6548525604097356
Energy: 0.6545747287307403
Energy: 0.6672690835199276
Energy: 0.6551140491917959
Energy: 0.6887226999892084
Energy: 0.8934287306901016
Energy: 0.6876948903505725
Energy: 0.6895471645733658
Energy: 0.6953268994641651
Energy: 0.7126031022830327
Energy: 0.6898372269624334
Energy: 0.6547771202527592
Energy: 0.790660999235326
Energy: 0.6549306802700359
Energy: 0.6570925865222288
Energy: 0.6663515941092045
Energy: 0.6547112906424959
Energy: 0.8963701569963424
Energy: 0.6960067625798273
Energy: 0.6967223436725082
Energy: 0.8988831310485957
Energy: 0.7358493743314669
Energy: 0.6977185424435441
Energy: 0.6947036517468237
Energy: 0.6665591686730423
Energy: 0.666211051661567
Energy: 0.6972778236837972
Energy: 0.6666086157511226
Energy: 0.6971171454394716
Energy: 0.6564135339815109
Energy: 0.6665192438343669
Energy: 0.6658590124197592
Energy: 0.6893090608331143
Energy: 0.6666873436893034
Energy: 0.6885310174365123
Energy: 0.6902742409631336
Energy: 0.692647942655199
Energy: 0.6928250814326001
Energy: 0.6904074379855889
Energy: 0.6904350365441511
Energy: 0.6930841959687957
Energy: 0.6910983960439495
Energy: 0.7076980678775148
Energy: 0.6905591824270089
Energy: 0.6932970986653291
Energy: 0.7314885876721653
Energy: 0.6910863929144128
Energy: 0.9276523372530389
Energy: 0.6927645795434988
Energy: 0.7011949173611277
Energy: 0.849336668753669
Energy: 0.6921162120427687
Energy: 0.7368592180950534
Energy: 0.8510887124137295
Energy: 0.7318085987222415
Energy: 0.7314008745754509
Energy: 0.7151786129114676
Energy: 0.7322082117102368
Energy: 0.7146092939554318
Energy: 0.6551082897587844
Energy: 0.7312796584655065
Energy: 0.7372587204934707
Energy: 0.6945233552453626
Energy: 0.7312613645432803
Energy: 0.7047986867927649
Energy: 0.7705908351334451
Energy: 0.7294734453491438
Energy: 0.7214509737525037
Energy: 0.7958933024020499
Energy: 0.738642674550837
Energy: 0.7226987687020054
Energy: 0.7989631879140552
Energy: 0.7262512530435498
Energy: 0.7957839326398402
Energy: 0.8008387941620527
Energy: 0.795390812833536
Energy: 0.7959503369114821
Energy: 1.0037227626337335
Energy: 0.709094823170084
Energy: 0.7292923796749445
Energy: 0.7680935593355
Energy: 0.7094961058444066
Energy: 0.7072330672127638
Energy: 1.0023362043461492
Energy: 0.768222823555236
Energy: 0.7922025371950726
Energy: 0.7759891987453321
Energy: 0.7755480386761748
Energy: 0.7193184680480225
Energy: 0.6678561818808645
Energy: 0.9053364529229461
Energy: 0.7532305943730437
Energy: 0.7153670811054264
Energy: 0.9053603100492831
Energy: 0.7278441916357027
Energy: 0.9049766446394317
Energy: 0.8271313141112824
Energy: 0.8254036629852001
Energy: 0.7955730790077008
Energy: 0.907978373031312
Energy: 0.8131205857021193
Energy: 1.0059528265020188
Energy: 0.73903705490298
Energy: 0.7685396137274692
Energy: 0.9308644090412996
Energy: 0.873040974443803
Energy: 0.8569695974432648
Energy: 0.9901613740951452
Energy: 0.7197713227512621
Energy: 0.738884018393462
Energy: 0.8003069045097964
Energy: 0.9202678278325297
Energy: 0.770944399556052
Energy: 0.9901621680719749
Energy: 0.8234790430245963
Energy: 0.824161867924231
Energy: 0.9055248636540282
Energy: 0.908024121878838
Energy: 0.8132807439401424

minimum gb energy = 0.6517482829843386 eV
minimum distance =  2.29677564162696 Angstroms
sigma value = 81


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

Energy: 0.05364854763043738
Energy: 0.10591804727924431
Energy: 0.05443115535827767
Energy: 0.05703592116997395
Energy: 0.05406268115585516
Energy: 0.05439779506555599
Energy: 0.10789777806890961
Energy: 0.05433220523839064
Energy: 0.05415102746387812
Energy: 0.10605921123519879
Energy: 0.05559172552208171
Energy: 0.0548824398960755
Energy: 0.10526816180680025
Energy: 0.05427969640798943
Energy: 0.05415009725829442
Energy: 0.10543413642995822
Energy: 0.053926146153035315
Energy: 0.10643513136136518
Energy: 0.05700271250461488
Energy: 0.054210581975619024
Energy: 0.05383814105032634
Energy: 0.054787664241562825
Energy: 0.054166306143022244
Energy: 0.10724976323857319
Energy: 0.10652726962758506
Energy: 0.10527169491697663
Energy: 0.10511853365191158
Energy: 0.10799392118230665
Energy: 0.10528053483673788
Energy: 0.10525724689269293
Energy: 0.05488902013759306
Energy: 0.054322503955317875
Energy: 0.0537639010363808
Energy: 0.05657263846190748
Energy: 0.05456920767826458
Energy: 0.054102856651649864
Energy: 0.1059397051673417
Energy: 0.0543144557497195
Energy: 0.054491392874813756
Energy: 0.10535303626452301
Energy: 0.05442002168402461
Energy: 0.0545653213943122
Energy: 0.10525704319990409
Energy: 0.053974569736502484
Energy: 0.0543185470115507
Energy: 0.10530705804243784
Energy: 0.05419775369581218
Energy: 0.1077877722626042
Energy: 0.05516264173245953
Energy: 0.054297704823045446
Energy: 0.10823102460741695
Energy: 0.05583029605376749
Energy: 0.05430880244083278
Energy: 0.1094223293394467
Energy: 0.05421589961035382
Energy: 0.10521743080227319
Energy: 0.10514607988134005
Energy: 0.054064885293926314
Energy: 0.10529464042468689
Energy: 0.1051266996829208

minimum gb energy = 0.05364854763043738 eV
minimum distance =  2.45210864262246 Angstroms
sigma value = 3


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

Energy: 0.8682275654549128
Energy: 0.8840763685281604
Energy: 0.8546862770175139
Energy: 0.8362295446881159
Energy: 0.8471981997206995
Energy: 0.8416530647466275
Energy: 0.8293883512115494
Energy: 0.8434870980649721
Energy: 0.8426893188579913
Energy: 0.8424506731072795
Energy: 0.8446380078894049
Energy: 0.8491686136651146
Energy: 0.8662597150953104
Energy: 0.8202097627028384
Energy: 0.8239995711660871
Energy: 0.8543811607007886
Energy: 0.8273502093371947
Energy: 0.8639835781101356
Energy: 0.8018949022105933
Energy: 0.8198043977014751
Energy: 0.8238094540429372
Energy: 0.8019662541175694
Energy: 0.7239533680441794
Energy: 0.8385218773129122
Energy: 0.7328130235071985
Energy: 0.8469366423858784
Energy: 0.8527055981253165
Energy: 0.732907447411434
Energy: 0.8479384207971764
Energy: 0.8519529787304876
Energy: 0.8077616267473767
Energy: 0.8487570388970861
Energy: 0.8282228470865157
Energy: 0.6824168409443334
Energy: 0.8489866945551202
Energy: 0.7925132432280885
Energy: 0.8015972329009506
Energy: 0.7427338548905481
Energy: 0.7425039977890793
Energy: 0.8014903536973027
Energy: 0.7444346990880398
Energy: 0.8095921739478891
Energy: 0.8020911835097233
Energy: 0.7996448660058704
Energy: 0.7997419571644387
Energy: 0.8021679353039529
Energy: 0.7677402089933967
Energy: 0.7624014072343981
Energy: 0.8275923334789669
Energy: 0.799643248551143
Energy: 0.8341226329869512
Energy: 0.838027737075202
Energy: 0.6869579086437475
Energy: 0.8354040011511752
Energy: 0.7571354377565905
Energy: 0.7409645595195715
Energy: 0.7408318344325179
Energy: 0.7569780294739796
Energy: 0.7441898347645718
Energy: 0.7691435871828439
Energy: 0.7837814983520068
Energy: 0.8068565976182986
Energy: 0.8072009165234836
Energy: 0.7330034797832077
Energy: 0.7889793467202656
Energy: 0.7734087905298035
Energy: 0.6908872755691831
Energy: 0.8105400986411846
Energy: 0.8064850186329566
Energy: 0.6908231122430656
Energy: 0.7999029350957432
Energy: 0.6902747979415064
Energy: 0.6919692552855898
Energy: 0.7569248026492267
Energy: 0.7786186557754968
Energy: 0.6921285723848252
Energy: 0.7567953465852523
Energy: 0.7349565756409674
Energy: 0.7695848127126609
Energy: 0.7225536692347534
Energy: 0.7784469002952957
Energy: 0.7773389633841982
Energy: 0.7241583137720972
Energy: 0.7813751858444784
Energy: 0.7662499394678184
Energy: 0.658267827653419
Energy: 0.6579211506787697
Energy: 0.7661877028561865
Energy: 0.6604703600940509
Energy: 0.6579564979097297
Energy: 0.7659800138479737
Energy: 0.7603399926865508
Energy: 0.7636875942007614
Energy: 0.7623811909482536
Energy: 0.7588098670313893
Energy: 0.7640040450155609
Energy: 0.6411842293509721
Energy: 0.7645495594911726
Energy: 0.7620972099835415
Energy: 0.6408081837790623
Energy: 0.7608795377801305
Energy: 0.6405127563960596
Energy: 0.6416273068494561
Energy: 0.7554663331400782
Energy: 0.7558583819724398
Energy: 0.641577462293544
Energy: 0.7552163643995188
Energy: 0.757808498105962
Energy: 0.754514905205459
Energy: 0.7048744875664734
Energy: 0.7554104569954596
Energy: 0.7042670665968037
Energy: 0.705267998003609
Energy: 0.7555301095358471
Energy: 0.758939151569078
Energy: 0.6409834878251158
Energy: 0.6404922084396859
Energy: 0.7598076120922422
Energy: 0.6420980191715331
Energy: 0.6406355489008208
Energy: 0.7582607381641847
Energy: 0.7602504066742999
Energy: 0.763996299637796
Energy: 0.7594972250221131
Energy: 0.7659084366071405
Energy: 0.7622492445769761
Energy: 0.6649057283110141
Energy: 0.7607409958264423
Energy: 0.7145649230138782
Energy: 0.6587801911736763
Energy: 0.7788161069810334
Energy: 0.6580027429487093
Energy: 0.6576468910127039
Energy: 0.7784503793258432
Energy: 0.7784615358836945
Energy: 0.6576350510174251
Energy: 0.7784403702597078
Energy: 0.7782525774244451
Energy: 0.7718859040819056
Energy: 0.6931475132948127
Energy: 0.7797898360724165
Energy: 0.7646683054878546
Energy: 0.6931774098379304
Energy: 0.7649075264755612
Energy: 0.7972060220218367
Energy: 0.6908441382071868
Energy: 0.6908491458070016
Energy: 0.7225116048422056
Energy: 0.6929472881483226
Energy: 0.6904680097368363
Energy: 0.792602641586094
Energy: 0.7864649568549213
Energy: 0.7865698568317052
Energy: 0.7891064534146073
Energy: 0.7595052147888559
Energy: 0.8068607885567214
Energy: 0.7447571604521236
Energy: 0.7862167863262995
Energy: 0.7865320437607654
Energy: 0.7435646807118454
Energy: 0.7998991733935213
Energy: 0.7411511399541558
Energy: 0.7092176746134619
Energy: 0.8375864534675158
Energy: 0.8367755826907788
Energy: 0.7092219311601242
Energy: 0.8377317036263111
Energy: 0.8357274668645026
Energy: 0.7939929786280602
Energy: 0.8025302077156059
Energy: 0.793893223425864
Energy: 0.6653317471471917
Energy: 0.8023613200783708
Energy: 0.7806306117032149
Energy: 0.7406026730124845
Energy: 0.8018862419644014
Energy: 0.8093505858537041
Energy: 0.7407295674410195
Energy: 0.8056061344685301
Energy: 0.8046131904955446
Energy: 0.8075432590231127
Energy: 0.8110777477463702
Energy: 0.8112176825806563
Energy: 0.807606957012612
Energy: 0.7743448411925937
Energy: 0.8111424032534325
Energy: 0.8680246959155775
Energy: 0.8117747007480101
Energy: 0.8434024730286455
Energy: 0.8501155535986336
Energy: 0.7044451048712926
Energy: 0.8535176088124556
Energy: 0.7538848606306198
Energy: 0.8020081688741912
Energy: 0.8015951376319286
Energy: 0.7536912223482023
Energy: 0.8043656869946257
Energy: 0.8070535654611836

minimum gb energy = 0.6404922084396859 eV
minimum distance =  2.24974011205938 Angstroms
sigma value = 67


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

Energy: 1.0502724964420067
Energy: 1.0655111194663698
Energy: 1.028245800456232
Energy: 0.9904944096480248
Energy: 1.0199704117659554
Energy: 1.0162559987591873
Energy: 0.9860933089314627
Energy: 0.9405892062607295
Energy: 0.9400712099155331
Energy: 1.0211810562736823
Energy: 1.0297953867995866
Energy: 0.8546414391050865
Energy: 1.0926689386617925
Energy: 0.9747904963939943
Energy: 0.9025511594740204
Energy: 1.020380403067384
Energy: 0.8906776962059214
Energy: 0.9819544679888095
Energy: 0.9462545146275627
Energy: 0.9025088034287497
Energy: 0.9024200018769858
Energy: 0.9468690817960626
Energy: 0.845998258654746
Energy: 0.9014149973669363
Energy: 0.9394301628336738
Energy: 0.9418982022031568
Energy: 0.9206333251271352
Energy: 0.9396631036891098
Energy: 0.9417606244075128
Energy: 0.8541059517952386
Energy: 0.9607123457693023
Energy: 0.9362965098302741
Energy: 0.9756290849491114
Energy: 0.8539047433475294
Energy: 0.936023061867768
Energy: 0.8913476616302992
Energy: 0.9400343416535302
Energy: 0.852307956932871
Energy: 0.851936814213162
Energy: 0.9402162337345509
Energy: 0.8529405592946596
Energy: 0.8580217474897256
Energy: 0.942937611389756
Energy: 0.9491932417698259
Energy: 0.9499947065135634
Energy: 0.942690865611376
Energy: 0.8000803592855237
Energy: 0.854882065635067
Energy: 0.9634871040930185
Energy: 0.8495667417063988
Energy: 0.8938089514384683
Energy: 0.9765580794963208
Energy: 0.8484540388958247
Energy: 0.8938150737041481
Energy: 0.9683050975920641
Energy: 0.8551435274325642
Energy: 0.8499978982286815
Energy: 0.9685197405254456
Energy: 0.8525875202775283
Energy: 0.8501778525970276
Energy: 0.881914653547602
Energy: 0.9509538597380001
Energy: 0.9513086271111444
Energy: 0.7992486059434359
Energy: 0.935661143629803
Energy: 0.9515041363083493
Energy: 0.796927181351308
Energy: 0.9521177883820732
Energy: 0.9515382443884832
Energy: 0.7967189497208835
Energy: 0.853004545072295
Energy: 0.7965070519253488
Energy: 0.7966842434729189
Energy: 0.9389935466143309
Energy: 0.9415432347480287
Energy: 0.7968881025978942
Energy: 0.8019365046975329
Energy: 0.7967861256281362
Energy: 0.9316600781101673
Energy: 0.9457839579340632
Energy: 0.9407249976701986
Energy: 0.799079271315742
Energy: 0.8695906657094088
Energy: 0.9397248930699091
Energy: 0.9326944953666196
Energy: 0.8029702272000754
Energy: 0.7971755275101261
Energy: 0.9314082721344584
Energy: 0.7989084042600967
Energy: 0.7967631258940722
Energy: 0.9329850272995275
Energy: 0.9507888087128386
Energy: 0.9536510205826291
Energy: 0.8747734202017262
Energy: 0.8809790511459961
Energy: 0.9523490045089698
Energy: 0.8549614763208728
Energy: 0.934950435599078
Energy: 0.9408393186087793
Energy: 0.8502388913036786
Energy: 0.7888268544833754
Energy: 0.8501694757601148
Energy: 0.849854209569635
Energy: 0.8947277213906
Energy: 0.8957880675079395
Energy: 0.8496199218866619
Energy: 0.8551022223304642
Energy: 0.8486483901403623
Energy: 0.9351343101325577
Energy: 0.884728068735404
Energy: 0.9623809768339749
Energy: 0.8143437782311268
Energy: 0.8842784381199256
Energy: 0.96216739969668
Energy: 0.8524407984907488
Energy: 0.9435634526656685
Energy: 0.856047248956544
Energy: 0.851403919664807
Energy: 0.9430847852892328
Energy: 0.8587941326114762
Energy: 0.9425265202876723
Energy: 0.8170557532724676
Energy: 0.8159977505096735
Energy: 0.94163461814554
Energy: 0.8976174674163695
Energy: 0.8163003103050287
Energy: 1.092983297808745
Energy: 0.9603467693077962
Energy: 0.8141053316059546
Energy: 1.0192149849273835
Energy: 0.9601918069013821
Energy: 0.8145530376154912
Energy: 0.9859341617229096
Energy: 0.9433129458072307
Energy: 0.9395625710991496
Energy: 0.986058652258465
Energy: 0.9445685125542954
Energy: 0.939457111965863

minimum gb energy = 0.7888268544833754 eV
minimum distance =  2.24591960257982 Angstroms
sigma value = 33


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

Energy: 1.241039412842122
Energy: 1.0719132763849455
Energy: 1.0720633070627879
Energy: 1.0998333110343097
Energy: 1.1611031315938918
Energy: 1.1007164560039802
Energy: 1.0782187720573384
Energy: 1.0075479127045521
Energy: 1.0082315050482575
Energy: 1.0166684905655017
Energy: 1.0083071920803326
Energy: 1.0066293631807879
Energy: 1.1780195352498815
Energy: 0.8995667586814637
Energy: 0.9107486243471351
Energy: 1.013854809042229
Energy: 1.0005591309041821
Energy: 0.9129535491718543
Energy: 1.0080654427505338
Energy: 0.9548408304005677
Energy: 0.9119222767800982
Energy: 1.00807015527913
Energy: 1.002109911775947
Energy: 0.9128813048686221
Energy: 1.0056681228148339
Energy: 1.009689587199532
Energy: 1.0079900018492662
Energy: 1.005739883214127
Energy: 1.0090182923324285
Energy: 1.0185924204837113
Energy: 0.8989305631770125
Energy: 0.899334512448634
Energy: 0.900103590732976
Energy: 0.8974258760903363
Energy: 0.8994788415551583
Energy: 0.9123894469093005
Energy: 1.0058128807874078
Energy: 0.9016079484555258
Energy: 0.9015965835425481
Energy: 1.0059326513436917
Energy: 0.9020050026950323
Energy: 0.9114942136491764
Energy: 1.0093772008803314
Energy: 0.8998041498838809
Energy: 0.9148145648150401
Energy: 1.0089630888229428
Energy: 0.8993310421267645
Energy: 0.9135968262975629
Energy: 0.978099740116833
Energy: 1.0145777749094989
Energy: 1.0761163655226982
Energy: 0.9119912914562566
Energy: 0.9000368094517645
Energy: 1.0787149541506893
Energy: 0.9761873479055393
Energy: 0.9006196630474308
Energy: 0.8992293359023806
Energy: 0.9764966858068633
Energy: 0.9018724765795956
Energy: 0.9002881655931866
Energy: 0.973740089839817
Energy: 0.9298312086046306
Energy: 1.0007679730822312
Energy: 0.9046848158752266
Energy: 0.9773761742379572
Energy: 1.052717899257773
Energy: 0.900407637441031
Energy: 0.8999203134918385
Energy: 1.048567301236335
Energy: 0.9005169857372476
Energy: 0.9249386945499695
Energy: 0.8999779450656926
Energy: 0.8991652433770984
Energy: 1.075908069499688
Energy: 1.0788717403798074
Energy: 0.8992480860055486
Energy: 0.9118611957730716
Energy: 0.90003629427673
Energy: 0.8769703410231441
Energy: 0.9141521160439887
Energy: 0.9132841973401877
Energy: 0.8772020295789891
Energy: 0.98097766202417
Energy: 1.0453283180451458
Energy: 0.8723912050203544
Energy: 1.0076223470651007
Energy: 1.0065581678120885
Energy: 0.8724035669774718
Energy: 1.009002086404283
Energy: 0.9129901423450014
Energy: 0.912482624390234
Energy: 0.8716324249096521
Energy: 0.8715754492024526
Energy: 0.9122619297727158
Energy: 0.924622425879573
Energy: 0.9130683471931065
Energy: 1.1770935067574757
Energy: 0.9248044937685701
Energy: 0.8764146667893147
Energy: 1.1798405290960308
Energy: 0.9311370763493783
Energy: 0.8754520609569242
Energy: 1.149870244865901
Energy: 1.00488465742223
Energy: 1.0053657658514754
Energy: 1.0149301794774956
Energy: 1.0050492437744218
Energy: 1.1165421773750952
Energy: 0.9245366387317744
Energy: 1.016531418927641
Energy: 0.9302661784929267
Energy: 0.9240727541458176
Energy: 1.0144972310018416
Energy: 0.8736673022197127
Energy: 1.0780177632769035
Energy: 1.0092920689528497
Energy: 1.0082025491890254
Energy: 1.0782744693059525
Energy: 1.0087684128222616
Energy: 1.0071492828836714
Energy: 1.1794527193771907
Energy: 0.9542516774084223
Energy: 0.9108079969426462
Energy: 1.013833325096014
Energy: 1.1110473365294242
Energy: 0.9133285784348981
Energy: 1.013345033709862
Energy: 1.0051445351718344
Energy: 0.9109650971165701
Energy: 1.0139006395905261
Energy: 0.9546573701746417
Energy: 0.9111305215556202
Energy: 1.0053993253549582
Energy: 1.0071771616226837
Energy: 1.0072664818376265
Energy: 1.0053599416490921
Energy: 1.0086336514614698
Energy: 0.9134621682421331
Energy: 0.8975074952809485
Energy: 0.8992057986178172
Energy: 0.9010769113085068
Energy: 0.8981756649718619
Energy: 0.8994092131044978
Energy: 0.9112721704028641
Energy: 1.0058336212638834
Energy: 1.0346189345367816
Energy: 0.9023579414449628
Energy: 1.005895637693513
Energy: 1.032636494064768
Energy: 0.912162932119681
Energy: 1.0095826251474123
Energy: 0.8999740317025978
Energy: 1.0167669673341388
Energy: 1.009609956927921
Energy: 0.9049606426541463
Energy: 0.914208099803025
Energy: 0.9788302289654817
Energy: 0.9002727693883591
Energy: 1.0752855207611252
Energy: 0.9740010088816897
Energy: 0.9001440053811118
Energy: 1.078834650174444
Energy: 0.9771533647338557
Energy: 0.9008130854175114
Energy: 0.8991778591001182
Energy: 0.9768769292602337
Energy: 0.9031669014597807
Energy: 0.9000214645420963
Energy: 0.9751033101327211
Energy: 0.9765260192253129
Energy: 0.9998229199401947
Energy: 0.8992689895352142
Energy: 0.9800106754804428
Energy: 1.0492136054481525
Energy: 0.9001407489210459
Energy: 1.0010761072711534
Energy: 1.0490081096445187
Energy: 0.9001968876984898
Energy: 0.9253096669099358
Energy: 0.8993428275142462
Energy: 0.9004107558431744
Energy: 1.074830636054077
Energy: 0.8998620069181404
Energy: 0.8999010838226951
Energy: 0.914427948535305
Energy: 0.8997677219235761
Energy: 0.8712250780937344
Energy: 0.9136618068597963
Energy: 0.9137934665181704
Energy: 0.8766492930469862
Energy: 0.9790693763420507
Energy: 1.0457637725657976
Energy: 0.8720568087937743
Energy: 1.0078194018117352
Energy: 1.006849844226077
Energy: 0.8742931613709122
Energy: 1.0101502608712363
Energy: 0.9144867036827953
Energy: 0.9131961033654885
Energy: 0.9250955272622838
Energy: 0.9123721813392626
Energy: 0.9123150654644434
Energy: 0.9246875578609157
Energy: 0.9119728704998387
Energy: 1.1774229303651982
Energy: 0.9246304614578965
Energy: 0.8761032176895863
Energy: 1.178200619196223
Energy: 0.8708941644562068
Energy: 0.8740881681770074
Energy: 1.1521829162439472
Energy: 1.0045744826775496
Energy: 1.0051377213107688
Energy: 1.0153369884076286
Energy: 1.0048738659066214
Energy: 0.9111571008098932
Energy: 0.9241192109535892
Energy: 1.0157766914001598
Energy: 0.9307980266512976
Energy: 0.9310398640511034
Energy: 1.015284477354384
Energy: 0.8733156797739645

minimum gb energy = 0.8708941644562068 eV
minimum distance =  2.27303002247765 Angstroms
sigma value = 41


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

Energy: 1.1955319617518234
Energy: 1.1963085092675037
Energy: 1.1980658362634993
Energy: 1.0152179992001555
Energy: 1.08423793238922
Energy: 1.1957688476424708
Energy: 1.1269158009902107
Energy: 1.0854878545312465
Energy: 1.084193729291739
Energy: 1.0845490466660253
Energy: 1.0864802930288315
Energy: 1.0641978431596235
Energy: 1.2309897228368065
Energy: 1.0603401383479627
Energy: 1.0156791086395125
Energy: 1.0830672556535714
Energy: 1.0661846699343094
Energy: 1.0814388015448428
Energy: 1.082471508261969
Energy: 1.061443672672457
Energy: 1.0178816822929835
Energy: 1.0825684415987706
Energy: 1.0810527276411417
Energy: 1.062910588918536
Energy: 1.0617115855776942
Energy: 1.0834184650323762
Energy: 1.0836218690798252
Energy: 1.0617318655990098
Energy: 1.0836852469532914
Energy: 1.0448392697876918
Energy: 1.11896559818329
Energy: 1.1539385615428388
Energy: 1.083675774345984
Energy: 1.0923091633257702
Energy: 1.1530747232778622
Energy: 1.0186694518359367
Energy: 1.060969632930191
Energy: 1.0977216374556906
Energy: 1.0979630748394504
Energy: 1.0610986732632883
Energy: 1.0975775498003089
Energy: 1.0622853258282698
Energy: 1.069227323483841
Energy: 1.0208960791387844
Energy: 1.022349785441159
Energy: 1.0624302922635482
Energy: 1.0927688684891665
Energy: 1.0623664497916239
Energy: 1.2035245836839463
Energy: 1.0629053105967425
Energy: 1.0629598985552104
Energy: 1.1959429253944136
Energy: 1.0636013199330492
Energy: 1.0182231788490534
Energy: 1.1206883195431194
Energy: 1.0695432991390823
Energy: 1.0620850929873242
Energy: 1.1206799529868874
Energy: 1.0637701127906933
Energy: 1.0638505710931225
Energy: 1.1255113301864696
Energy: 1.0632673093054261
Energy: 1.0206764463670188
Energy: 1.0414750465484366
Energy: 0.9934882123639198
Energy: 1.0419319423512807
Energy: 1.2282961931370218
Energy: 0.993809666364542
Energy: 0.993887041487529
Energy: 1.2290248727899176
Energy: 0.9936257972745876
Energy: 1.0842998330437827
Energy: 1.2312160814510649
Energy: 1.0621285522488315
Energy: 1.0850250277209872
Energy: 1.0856045864263422
Energy: 1.0618647230376645
Energy: 1.0651285766138634
Energy: 0.9936590007506981
Energy: 1.0830136452878687
Energy: 0.9946548968022222
Energy: 1.0009482987577993
Energy: 1.0830649038079074
Energy: 0.9940039527229068

minimum gb energy = 0.9934882123639198 eV
minimum distance =  2.27075347519146 Angstroms
sigma value = 11


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

Energy: 1.158180362654229
Energy: 1.2944795193622554
Energy: 1.3298242686402995
Energy: 1.2672962238134864
Energy: 1.302936360335237
Energy: 1.2127256095225962
Energy: 1.3503862356179699
Energy: 1.1703518480040263
Energy: 1.1703994756879674
Energy: 1.2644965976943474
Energy: 1.1704804461517184
Energy: 1.1711661437854006
Energy: 1.505604092735475
Energy: 1.199210584724137
Energy: 1.2064458098742545
Energy: 1.2201592615580832
Energy: 1.1471172732869537
Energy: 1.2191972815724699
Energy: 1.2619314195706204
Energy: 1.1459973632529812
Energy: 1.2012325404583242
Energy: 1.2632079403196457
Energy: 1.1745981899084676
Energy: 1.2027773332756437
Energy: 1.2604550354687132
Energy: 1.1702076977763867
Energy: 1.1701558895178146
Energy: 1.2605779220246973
Energy: 1.1785333935812459
Energy: 1.1707138297575548
Energy: 1.2608484307383199
Energy: 1.204579301488767
Energy: 1.1992155150908046
Energy: 1.2401468323862133
Energy: 1.2048520715824798
Energy: 1.1993204596116307
Energy: 1.2048184056360696
Energy: 1.209817414365805
Energy: 1.1989635385886623
Energy: 1.2048461960632135
Energy: 1.214095561657335
Energy: 1.1990556512211115
Energy: 1.2042081717290454
Energy: 1.220087528962539
Energy: 1.1716489866636661
Energy: 1.1702308400640307
Energy: 1.2609615118584765
Energy: 1.1703391782553174
Energy: 1.1962203503486253
Energy: 1.2089603797634472
Energy: 1.2042554274580528
Energy: 1.1728225916542085
Energy: 1.1861922422426137
Energy: 1.1538749717228232
Energy: 1.204184563943943
Energy: 1.2198687717724415
Energy: 1.2168285350017105
Energy: 1.1712298235873297
Energy: 1.2199495110098197
Energy: 1.1793378888678752
Energy: 1.2046352619071663
Energy: 1.2017633612452046
Energy: 1.1704025828000686
Energy: 1.1704970768355059
Energy: 1.2037098382062186
Energy: 1.1697937399233567
Energy: 1.1765256503896135
Energy: 1.2201483183978528
Energy: 1.2213482117647
Energy: 1.1766838154873998
Energy: 1.228929742420923
Energy: 1.217962227748512
Energy: 1.1693266558184765
Energy: 1.261143992622538
Energy: 1.2012124767503758
Energy: 1.1695013556943068
Energy: 1.264943916717669
Energy: 1.1696995964238364
Energy: 1.2034365228038697
Energy: 1.2048047150834307
Energy: 1.2052174217298641
Energy: 1.2006109117097066
Energy: 1.2197785176236902
Energy: 1.2197386412276805
Energy: 1.1471164101048317
Energy: 1.2413861782864009
Energy: 1.1485153142482911
Energy: 1.1473240847583204
Energy: 1.2498112353937263
Energy: 1.1473798193413298
Energy: 1.1473982884449583
Energy: 1.1481531183909697
Energy: 1.1483264612240918
Energy: 1.1492041708920815
Energy: 1.185674478643444
Energy: 1.1471160329244172
Energy: 1.147007675742652
Energy: 1.1602347882419362
Energy: 1.1611450713778617
Energy: 1.147122737008825
Energy: 1.2400938150577965
Energy: 1.1611232402998155
Energy: 1.2252753830714116
Energy: 1.1901823410073724
Energy: 1.189500374479393
Energy: 1.2293202597964803
Energy: 1.1894866921262268
Energy: 1.2401783246355984
Energy: 1.2032851674875586
Energy: 1.2138059011588422
Energy: 1.2140813154434347
Energy: 1.2033961706571883
Energy: 1.2063297679830733
Energy: 1.2024025537273688
Energy: 1.2037194564037046
Energy: 1.1529057303413162
Energy: 1.2117113213007835
Energy: 1.2230072139034764
Energy: 1.1523181707315855
Energy: 1.2145261813017192
Energy: 1.333997060235185
Energy: 1.1522447268131304
Energy: 1.2364768238542976
Energy: 1.18576299000409
Energy: 1.2161270990919468
Energy: 1.2028199682817622
Energy: 1.1877878970676958
Energy: 1.2201992587394301
Energy: 1.2029241502070913
Energy: 1.1685522823398637
Energy: 1.1867188828376263
Energy: 1.2023644028229215
Energy: 1.174091955403598
Energy: 1.2114313470840163
Energy: 1.21810473668084
Energy: 1.1907986899551992
Energy: 1.2107076535339942
Energy: 1.2189477921412788
Energy: 1.2856763982385695
Energy: 1.2052919355429788
Energy: 1.2157357738169208
Energy: 1.2056658950982884
Energy: 1.2036811198042325
Energy: 1.2146523056596292
Energy: 1.334734338171392
Energy: 1.217844221263899
Energy: 1.21858486748427
Energy: 1.1885034204178173
Energy: 1.2425263191058746
Energy: 1.221292584353035
Energy: 1.3148135329296944
Energy: 1.1778717425307803
Energy: 1.160621171158249
Energy: 1.205315454048618
Energy: 1.1472208521907459
Energy: 1.1738139157271406
Energy: 1.312029308250784
Energy: 1.1472477355211301
Energy: 1.147195398713472
Energy: 1.1851849031532438
Energy: 1.1503232357595332
Energy: 1.1474463500037912
Energy: 1.3120280193832106
Energy: 1.1676509659778724
Energy: 1.1474057764256442
Energy: 1.2618574107990808
Energy: 1.1477030390539025
Energy: 1.1484503207847438
Energy: 1.5090541859386262
Energy: 1.212808711058576
Energy: 1.2159540690626303
Energy: 1.510830791252268
Energy: 1.268812586586562
Energy: 1.2127395165935662
Energy: 1.4323164019496843
Energy: 1.1706297977954845
Energy: 1.1716161614170695
Energy: 1.2634798826627458
Energy: 1.1696722480401345
Energy: 1.20378249983907
Energy: 1.1543353530487628
Energy: 1.1758492669284928
Energy: 1.212154373301404
Energy: 1.2386538176488326
Energy: 1.1761198036290395
Energy: 1.217082539081334

minimum gb energy = 1.1459973632529812 eV
minimum distance =  2.25084443735801 Angstroms
sigma value = 57


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

Energy: 1.8609260785712223
Energy: 1.4316358029301752
Energy: 1.4469766310367034
Energy: 1.4470744475527162
Energy: 1.8406422466440333
Energy: 1.4332230066271547
Energy: 1.098608690648457
Energy: 1.1746971262838237
Energy: 1.130660870356443
Energy: 1.1718218260112336
Energy: 1.1719752115769781
Energy: 1.162309432442192
Energy: 1.2874548305834759
Energy: 1.2094454946054063
Energy: 1.1597707395649441
Energy: 1.2622825178198398
Energy: 1.1666592316156155
Energy: 1.1594000374725182
Energy: 1.1549201700604004
Energy: 1.1602941491395378
Energy: 1.1288983079530064
Energy: 1.1561195012915595
Energy: 1.149743184894709
Energy: 1.1290237328560375
Energy: 1.1675399199284084
Energy: 1.1600312741132957
Energy: 1.1612044434763569
Energy: 1.1692203372377308
Energy: 1.1571396966703078
Energy: 1.1289233573283262
Energy: 1.1534544043409591
Energy: 1.2800119221339736
Energy: 1.1751645713281131
Energy: 1.1703024951074903
Energy: 1.2788250143406492
Energy: 1.3209039119804065
Energy: 1.277505988010549
Energy: 1.2025883881282182
Energy: 1.205039848548592
Energy: 1.2782812371426584
Energy: 1.1978198542313605
Energy: 1.3208452257614656
Energy: 1.311635889160375
Energy: 1.1588033770155164
Energy: 1.1625617210236179
Energy: 1.1687957838999117
Energy: 1.1714689626908388
Energy: 1.1292476287826638
Energy: 1.0988936148175072
Energy: 1.1579736360420365
Energy: 1.2021277682982614
Energy: 1.0987429328540186
Energy: 1.154610627170719
Energy: 1.204257383101409
Energy: 1.171584524120573
Energy: 1.158447463014577
Energy: 1.2026719401494916
Energy: 1.0989111430563587
Energy: 1.1553894012010149
Energy: 1.2063328841290926
Energy: 1.3122374033127282
Energy: 1.158938711736707
Energy: 1.1625958260214455
Energy: 1.1539934367357034
Energy: 1.1737396780671125
Energy: 1.1292262480763555
Energy: 1.2650290171504661
Energy: 1.319083428835982
Energy: 1.320051729710782
Energy: 1.265615416423931
Energy: 1.2073853368791876
Energy: 1.1556043086894472
Energy: 1.1697141453210516
Energy: 1.1762904422046385
Energy: 1.1794291457238508
Energy: 1.171653867646844
Energy: 1.1728943612141383
Energy: 1.2123125641245653
Energy: 1.1564928802685461
Energy: 1.1558428227183142
Energy: 1.1558160351062745
Energy: 1.1733981620017633
Energy: 1.2815980308876644
Energy: 1.1537488638515923
Energy: 1.1676150776606882
Energy: 1.2032531169530059
Energy: 1.1299741228608098
Energy: 1.1690369383664176
Energy: 1.1960372373389845
Energy: 1.129126401629708
Energy: 1.288753341608634
Energy: 1.202176104200854
Energy: 1.0998520359255535
Energy: 1.2631469712750407
Energy: 1.2120994200984634
Energy: 1.1599888315093052
Energy: 1.0986072980556671
Energy: 1.1745985167179038
Energy: 1.1311300161066444
Energy: 1.0992425472676155
Energy: 1.1710561605030279
Energy: 1.1627025396060136

minimum gb energy = 1.0986072980556671 eV
minimum distance =  2.25084442733715 Angstroms
sigma value = 9


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

Energy: 2.1851124212461874
Energy: 1.3647105379275726
Energy: 1.278847679318885
Energy: 1.26407450328064
Energy: 1.3118597560854313
Energy: 1.3302728403875579
Energy: 1.4359476959333297
Energy: 1.2569322140168906
Energy: 1.2565430141774985
Energy: 1.250961378155488
Energy: 1.2584062334799988
Energy: 1.253568891054749
Energy: 1.31726556947353
Energy: 1.2602311151830725
Energy: 1.2554634648049732
Energy: 1.4026559660625844
Energy: 1.2497429413280892
Energy: 1.2514914247130313
Energy: 1.2874022187892253
Energy: 1.2612467159273066
Energy: 1.2605263526283415
Energy: 1.2533869870028125
Energy: 1.2772268891942398
Energy: 1.2522921170521553
Energy: 1.3411681332047074
Energy: 1.2347766134158606
Energy: 1.236847809748049
Energy: 1.2325594881210205
Energy: 1.2341474600784268
Energy: 1.2333842446803698
Energy: 1.261722337416313
Energy: 1.2449829955584801
Energy: 1.2412161871150373
Energy: 1.2407725471322166
Energy: 1.2511957937669926
Energy: 1.240452393607198
Energy: 1.2570491690653882
Energy: 1.2427008434933866
Energy: 1.2676077599050415
Energy: 1.2339416224000541
Energy: 1.2499810762862467
Energy: 1.2627104973937602
Energy: 1.2863116877263192
Energy: 1.2398753815438748
Energy: 1.2415077281823694
Energy: 1.2326912949089812
Energy: 1.2391328610894892
Energy: 1.2425069833651348
Energy: 1.3373372069031138
Energy: 1.2354597454567653
Energy: 1.237384759434678
Energy: 1.2494176188809143
Energy: 1.2337113601537073
Energy: 1.2529929661739339
Energy: 1.329626627452042
Energy: 1.2367334645785442
Energy: 1.2385029982544362
Energy: 1.2499040489787356
Energy: 1.2346652737126504
Energy: 1.2327749477404066
Energy: 1.2866337289342358
Energy: 1.2330721546612489
Energy: 1.2342518650110996
Energy: 1.232716464757776
Energy: 1.233104868341443
Energy: 1.2333469631756593
Energy: 1.2864434670371234
Energy: 1.2519193257406216
Energy: 1.2556391874941577
Energy: 1.2323988609002805
Energy: 1.2517645977051908
Energy: 1.2573638331928743
Energy: 1.352045729293655
Energy: 1.2513559276835535
Energy: 1.2506660833408467
Energy: 1.2377800170109021
Energy: 1.25538075355453
Energy: 1.2383766812916859
Energy: 1.348989742729698
Energy: 1.2552300926609088
Energy: 1.2517953121673229
Energy: 1.260944424129701
Energy: 1.3290669450640766
Energy: 1.2511629071346575
Energy: 1.2873219475248536
Energy: 1.232526006307259
Energy: 1.2330937055397597
Energy: 1.2343570527721668
Energy: 1.25923501166015
Energy: 1.2393962269660705
Energy: 1.2801352105641925
Energy: 1.2516804041891805
Energy: 1.2328749599391744
Energy: 1.266281072412431
Energy: 1.2505362476737787
Energy: 1.234179448735446
Energy: 1.3524543477197741
Energy: 1.2506209326940356
Energy: 1.2600022625492748
Energy: 1.3240274123153086
Energy: 1.2509524239924559
Energy: 1.262322251242885
Energy: 1.3728761279302484
Energy: 1.2553606246706102
Energy: 1.2537169149691225
Energy: 1.275172352523769
Energy: 1.2345844141130258
Energy: 1.2564427766880413
Energy: 1.272826447384993
Energy: 1.2511454314081907
Energy: 1.253880355574071
Energy: 1.2560872479605447
Energy: 1.2588876678461913
Energy: 1.2539509700461895
Energy: 1.2752445187455703
Energy: 1.2511081085156128
Energy: 1.253313716931271
Energy: 1.2546146869314425
Energy: 1.2506802869325528
Energy: 1.255001234568769
Energy: 1.2673252880594845
Energy: 1.2563731734051589
Energy: 1.2548113684808475
Energy: 1.240851178676685
Energy: 1.234005960474022
Energy: 1.2570119760902838

minimum gb energy = 1.2323988609002805 eV
minimum distance =  2.22495252180824 Angstroms
sigma value = 27


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

Energy: 1.381269716803397
Energy: 1.219154176618792
Energy: 1.1392852269112212
Energy: 1.1391132282340573
Energy: 1.7071497770121826
Energy: 1.2215180930512264
Energy: 1.2960744780462619
Energy: 1.2200707793475094
Energy: 1.218803156622482
Energy: 1.2125749959617036
Energy: 1.219372549372312
Energy: 1.2184851509230257
Energy: 1.3917437524813863
Energy: 1.2284304667066905
Energy: 1.2299967766259077
Energy: 1.2320127907644502
Energy: 1.2109799404468184
Energy: 1.2668435912656586
Energy: 1.3884646728097643
Energy: 1.218069171150797
Energy: 1.2145448612197343
Energy: 1.2555022163251979
Energy: 1.2395749722140994
Energy: 1.2183696463515479
Energy: 1.29999490545999
Energy: 1.220862115679646
Energy: 1.2194483192006802
Energy: 1.3023236343368727
Energy: 1.2422035290549116
Energy: 1.2239732635071006
Energy: 1.3929827692792593
Energy: 1.2180718327187179
Energy: 1.296492003785315
Energy: 1.3015057527752514
Energy: 1.2194975999317084
Energy: 1.217845263366308
Energy: 1.3683625349201565
Energy: 1.1398352700751868
Energy: 1.1439614552537256
Energy: 1.2804617498082276
Energy: 1.1399181795063378
Energy: 1.142865837864811
Energy: 1.3342218040046956
Energy: 1.1413182668450679
Energy: 1.2253242476242623
Energy: 1.2761759773063175
Energy: 1.269210096810374
Energy: 1.2579577346516315
Energy: 1.5040589596785297
Energy: 1.3014772004886968
Energy: 1.3028775730100477
Energy: 1.3090201150932839
Energy: 1.3145186600591745
Energy: 1.2656246199177377
Energy: 1.5107933280934596
Energy: 1.2928990551459105
Energy: 1.3023151106316013
Energy: 1.2584354788546508
Energy: 1.2879165333016476
Energy: 1.2653818934472287
Energy: 1.334190312918143
Energy: 1.2885301921694283
Energy: 1.2582670344263098
Energy: 1.300888190083605
Energy: 1.3026681050341768
Energy: 1.2876661242791536
Energy: 1.3700754857828172
Energy: 1.2685718472088552
Energy: 1.2685567510590643
Energy: 1.2697535366363595
Energy: 1.2795631134588066
Energy: 1.2686585625524374
Energy: 1.232282688314547
Energy: 1.2690965635318532
Energy: 1.1392250592491415
Energy: 1.1401017179741184
Energy: 1.270273178091996
Energy: 1.1397568189914982
Energy: 1.2650943701417072
Energy: 1.2679089276544708
Energy: 1.2669904993135512
Energy: 1.2674229917856261
Energy: 1.2708647844054979
Energy: 1.1401527327423027
Energy: 1.3567842162848636
Energy: 1.2739031738274433
Energy: 1.2711275630888728
Energy: 1.315608225675905
Energy: 1.2675905642631518
Energy: 1.271347014011213
Energy: 1.3658263343318062
Energy: 1.3002304495788524
Energy: 1.298599690673349
Energy: 1.3130907313149587
Energy: 1.3007445531729076
Energy: 1.3123748204083314
Energy: 1.3022502517837522
Energy: 1.28737402491581
Energy: 1.288727103504705
Energy: 1.3036407988545209
Energy: 1.300014768423806
Energy: 1.2934568423520443
Energy: 1.4193725722863064
Energy: 1.258607097195292
Energy: 1.2598071273058518
Energy: 1.2586253094971764
Energy: 1.2598622168390101
Energy: 1.258938511880682
Energy: 1.3357379650167356
Energy: 1.140546003589713
Energy: 1.1401477674646
Energy: 1.2590178632692042
Energy: 1.1401967048645856
Energy: 1.139306521248692
Energy: 1.3712894779271791
Energy: 1.1403775545310537
Energy: 1.1401762494894767
Energy: 1.2261955986097148
Energy: 1.1403247630470945
Energy: 1.1392999885830837
Energy: 1.5149517233586332
Energy: 1.228405085936384
Energy: 1.2585395290677883
Energy: 1.272956867495704
Energy: 1.2654919739918915
Energy: 1.2602771865095936
Energy: 1.2853881513851184
Energy: 1.2424118004407927
Energy: 1.24214207754335
Energy: 1.2487093323384557
Energy: 1.2420062906555482
Energy: 1.2333301015164992
Energy: 1.3694002081493382
Energy: 1.2195896208808352
Energy: 1.2187642589058953
Energy: 1.2661693386706039
Energy: 1.2256064208969846
Energy: 1.2573826665068004
Energy: 1.372788309804507
Energy: 1.2185897280084157
Energy: 1.2232277034387153
Energy: 1.239080785161845
Energy: 1.217979225340058
Energy: 1.219495629046071
Energy: 1.361799859792546
Energy: 1.219167486701844
Energy: 1.217976353693053
Energy: 1.2675180906069188
Energy: 1.2214107937705396
Energy: 1.2198289697142717

minimum gb energy = 1.1391132282340573 eV
minimum distance =  2.23637017553918 Angstroms
sigma value = 19


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

Energy: 2.0897312481271477
Energy: 1.2146084789088851
Energy: 1.2117586912792089
Energy: 1.2479207150086433
Energy: 1.2999757275705934
Energy: 1.2123889509135397
Energy: 1.309708379576677
Energy: 1.2465604705187463
Energy: 1.263152693192795
Energy: 1.2137329439430566
Energy: 1.220783923526095
Energy: 1.2325877065604816
Energy: 1.331434955558886
Energy: 1.2304099314308248
Energy: 1.2320731140514087
Energy: 1.2395137694722156
Energy: 1.2304744245537862
Energy: 1.2320182976202585
Energy: 1.2882724426852905
Energy: 1.2325952864609575
Energy: 1.2326255014003376
Energy: 1.2203049461690583
Energy: 1.2202268265768614
Energy: 1.2322071206427478
Energy: 1.2999424514368536
Energy: 1.2364215758029038
Energy: 1.2340229605810031
Energy: 1.2481494708321927
Energy: 1.2380805644102622
Energy: 1.2311628650972872
Energy: 1.287409743574289
Energy: 1.3101204763509917
Energy: 1.3049842686498112
Energy: 1.2677435790463527
Energy: 1.232520780826282
Energy: 1.231690962363936
Energy: 1.3348341101129515
Energy: 1.24988557498411
Energy: 1.2477436214676212
Energy: 1.2974168940274802
Energy: 1.2472862411739143
Energy: 1.2481632113200576
Energy: 1.2979801972579919
Energy: 1.2494439993055662
Energy: 1.2309786094980424
Energy: 1.281832533059091
Energy: 1.248108868752926
Energy: 1.3300732673983717
Energy: 1.2897872661168803
Energy: 1.235016995930092
Energy: 1.2318986729455557
Energy: 1.230647841503264
Energy: 1.2386116278110848
Energy: 1.231100687917667
Energy: 1.2963262367635542
Energy: 1.2523908543411029
Energy: 1.2519055525003704
Energy: 1.2326828494015385
Energy: 1.2517374881915566
Energy: 1.2504414966656185
Energy: 1.3137147915653045
Energy: 1.2113723691678184
Energy: 1.2128856441478242
Energy: 1.2605796186658753
Energy: 1.213304751051082
Energy: 1.4254186565986122
Energy: 1.3063500275606745
Energy: 1.2074719389746111
Energy: 1.2082547967010775
Energy: 1.2490985973693722
Energy: 1.2072497253791041
Energy: 1.2078504441672127
Energy: 1.2842432567555637
Energy: 1.24916552261789
Energy: 1.2565406229242035
Energy: 1.2286731996975102
Energy: 1.2509644264914905
Energy: 1.24905893369476
Energy: 1.3274041997167727
Energy: 1.250091758329878
Energy: 1.249120785707491
Energy: 1.2260273648028488
Energy: 1.312790326038402
Energy: 1.2657123408231647
Energy: 1.3053284087321373
Energy: 1.2083149080287312
Energy: 1.20804112351974
Energy: 1.2178745414568926
Energy: 1.208609928697413
Energy: 1.2079697938326808
Energy: 1.3272067870572866
Energy: 1.2074424640763786
Energy: 1.2078012595571057
Energy: 1.2098074442979145
Energy: 1.2076661480266389
Energy: 1.207757024034061
Energy: 1.2676849300286526
Energy: 1.2547240183386759
Energy: 1.2502572454257121
Energy: 1.2101939188930007
Energy: 1.264960789189311
Energy: 1.2497583093687226
Energy: 1.2936485624579144
Energy: 1.2086943004154727
Energy: 1.2074269182366812
Energy: 1.2022045504029455
Energy: 1.2386791726320672
Energy: 1.2074664061951006
Energy: 1.3133348616786518
Energy: 1.2507051965751317
Energy: 1.229981507394205
Energy: 1.2289967176625538
Energy: 1.2424797354086219
Energy: 1.2243573831784471
Energy: 1.322639329788849
Energy: 1.2512191973833189
Energy: 1.230181740582563
Energy: 1.2284503982185688
Energy: 1.2068690627187626
Energy: 1.2245222020029278
Energy: 1.2422036281245437
Energy: 1.2087149370163612
Energy: 1.2080495582916575
Energy: 1.2080563723963742
Energy: 1.2128413697533411
Energy: 1.207798114787197
Energy: 1.2438240889943801
Energy: 1.2082771799621654
Energy: 1.2081499022685935
Energy: 1.208071699485804
Energy: 1.2115871977013513
Energy: 1.208116819180653
Energy: 1.3041977507111377
Energy: 1.2479267209973508
Energy: 1.2488793621499148
Energy: 1.2689571201994128
Energy: 1.2487205686060847
Energy: 1.2447491729313622
Energy: 1.3249443740628608
Energy: 1.2011499551400888
Energy: 1.3002759159867465
Energy: 1.312052920631366
Energy: 1.2407074869072434
Energy: 1.2996990249374925
Energy: 1.2884653618943334
Energy: 1.2113601921958994
Energy: 1.2076485011405784
Energy: 1.2636372422566648
Energy: 1.2151222256148646
Energy: 1.2071533877710703
Energy: 1.2837746847050922
Energy: 1.2336221708702515
Energy: 1.2326513118883262
Energy: 1.229376685183232
Energy: 1.2354143201459291
Energy: 1.2323281196562133
Energy: 1.3294543958491918
Energy: 1.2380037317111774
Energy: 1.2306410056503676
Energy: 1.2359571489151113
Energy: 1.2305349047275798
Energy: 1.2309917090393219
Energy: 1.330417347554887
Energy: 1.231078111294441
Energy: 1.2314422375837388
Energy: 1.2411108608318888
Energy: 1.2845040130296768
Energy: 1.2315752096536776
Energy: 1.2948039848162876
Energy: 1.2993946991444627
Energy: 1.30528367800347
Energy: 1.2413000534980225
Energy: 1.314465466028589
Energy: 1.2425894997535065

minimum gb energy = 1.2011499551400888 eV
minimum distance =  2.23408154253954 Angstroms
sigma value = 101


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

Energy: 1.8770139590021495
Energy: 1.2155493950095497
Energy: 1.2156236186760283
Energy: 1.5274543922456296
Energy: 1.2646211452107585
Energy: 1.533663984406354
Energy: 1.3128872701632615
Energy: 1.2094121915794025
Energy: 1.2087293392466518
Energy: 1.2097716158571992
Energy: 1.2264546030199064
Energy: 1.1986509536041177
Energy: 1.3222627867350476
Energy: 1.199668558094065
Energy: 1.1989659698211803
Energy: 1.2090746468407076
Energy: 1.1985228927471847
Energy: 1.2036503663295048
Energy: 1.2321724946567043
Energy: 1.2003373496419611
Energy: 1.19997062814638
Energy: 1.2466278003292215
Energy: 1.207675394513104
Energy: 1.1990216686894675
Energy: 1.2375534208216197
Energy: 1.2115287864469146
Energy: 1.2085834717588246
Energy: 1.2149418340847336
Energy: 1.2098641070464702
Energy: 1.2155042213817002
Energy: 1.2311621480248631
Energy: 1.2693049600515907
Energy: 1.2076444733642462
Energy: 1.231789793482236
Energy: 1.2708060115660624
Energy: 1.198263493499745
Energy: 1.285838039478116
Energy: 1.1976625046079412
Energy: 1.197355331582579
Energy: 1.2213388126105176
Energy: 1.200940673497285
Energy: 1.1986170870408284
Energy: 1.205758722648578
Energy: 1.1988234163899971
Energy: 1.1985519477990938
Energy: 1.2013813332218912
Energy: 1.2056423353851637
Energy: 1.2292764150509197
Energy: 1.211727361226898
Energy: 1.210441710452027
Energy: 1.2034193574949525
Energy: 1.2009576590869386
Energy: 1.2072009295744812
Energy: 1.2009199755547795
Energy: 1.2253892937053663
Energy: 1.1996652475384748
Energy: 1.1998703122461631
Energy: 1.2077471909550048
Energy: 1.2456816887032578
Energy: 1.1996889415534235
Energy: 1.317847425591272
Energy: 1.1785683934963056
Energy: 1.1950490410747114
Energy: 1.210714867484278
Energy: 1.1762172451276498
Energy: 1.1923197548371856
Energy: 1.2650077528445751
Energy: 1.1992037405079283
Energy: 1.198413567803168
Energy: 1.2274238779594089
Energy: 1.210589813375733
Energy: 1.1984195203985348
Energy: 1.2278647645404186
Energy: 1.2080878416809204
Energy: 1.2056260468637672
Energy: 1.19764321532805
Energy: 1.2093266871325448
Energy: 1.2008444293231462
Energy: 1.2474084620303911
Energy: 1.1903542508425955
Energy: 1.2090034196707675
Energy: 1.2073224175653225
Energy: 1.1935620552421946
Energy: 1.2021031242169988
Energy: 1.319927874366656
Energy: 1.2016519564236943
Energy: 1.1994365097144835
Energy: 1.2098488691200957
Energy: 1.202380982988772
Energy: 1.2014066082342183
Energy: 1.3736236611084385
Energy: 1.2072269536884295
Energy: 1.1978305892956316
Energy: 1.2092291567954292
Energy: 1.2003195062158871
Energy: 1.197954688081141
Energy: 1.2072773209571703
Energy: 1.2490915231951614
Energy: 1.216773278183892
Energy: 1.1795601557830493
Energy: 1.2474818859451766
Energy: 1.1772480703455095
Energy: 1.3086011211234807
Energy: 1.1939257995735115
Energy: 1.2007722976644493
Energy: 1.2339078658455176
Energy: 1.215413239349104
Energy: 1.2166431485028364
Energy: 1.314263044839762
Energy: 1.1981931689660967
Energy: 1.19865961139254
Energy: 1.2086321183134763
Energy: 1.1990991270682314
Energy: 1.198607013819787
Energy: 1.320556064485139
Energy: 1.1981886392272976
Energy: 1.1981656436734254
Energy: 1.208654269778196
Energy: 1.2011069709621358
Energy: 1.1983837795118504
Energy: 1.2415625467765277
Energy: 1.209998568746284
Energy: 1.2071145470965996
Energy: 1.2155547683452246
Energy: 1.2089523685220653
Energy: 1.21807887071143
Energy: 1.2334566490245018
Energy: 1.199073282042711
Energy: 1.1989515483046014
Energy: 1.225248339533173
Energy: 1.2080570673220845
Energy: 1.198861191439113
Energy: 1.2728012484321443
Energy: 1.1974770584639076
Energy: 1.1978565985087666
Energy: 1.26673158111104
Energy: 1.197320410752582
Energy: 1.198189040709164
Energy: 1.2718514553345313
Energy: 1.207532686631391
Energy: 1.2088646837327979
Energy: 1.2280168361338963
Energy: 1.1918041879205166
Energy: 1.2277314748550734
Energy: 1.2234210847168339
Energy: 1.199701876236707
Energy: 1.1982838373910913
Energy: 1.2253061482021923
Energy: 1.2087552512620825
Energy: 1.197998699093775
Energy: 1.2114458720531873
Energy: 1.199812438199144
Energy: 1.1995173757501354
Energy: 1.2006872617891557
Energy: 1.2108053580069695
Energy: 1.1993986690902523
Energy: 1.321979154869725
Energy: 1.1789294105615777
Energy: 1.1775272503672753
Energy: 1.2080093837143504
Energy: 1.176481900151206
Energy: 1.1787538508823758
Energy: 1.3149815696149967
Energy: 1.176622507657821
Energy: 1.1761669027150785
Energy: 1.2603636794204232
Energy: 1.1789956651872415
Energy: 1.1985521568547606
Energy: 1.2250083002937628
Energy: 1.1807962738738105
Energy: 1.2095377453559641
Energy: 1.2147362167633913
Energy: 1.2333019459062926
Energy: 1.2097755835221329
Energy: 1.2248947242361348
Energy: 1.1910453719940224
Energy: 1.2319794280535727
Energy: 1.1982884850205704
Energy: 1.1969541482999166
Energy: 1.1995971837663044
Energy: 1.3145332057511616
Energy: 1.200231804210929
Energy: 1.1986153974832274
Energy: 1.209866775771523
Energy: 1.2010462763484455
Energy: 1.1985728988266555
Energy: 1.315033110616871
Energy: 1.2110202595330772
Energy: 1.1975134623918926
Energy: 1.2085688298031598
Energy: 1.2100411224619523
Energy: 1.1976599684801865
Energy: 1.2118624872753874
Energy: 1.2038879055970462
Energy: 1.177108787580362
Energy: 1.177336894594456
Energy: 1.3035579819739032
Energy: 1.1772342143852543

minimum gb energy = 1.1761669027150785 eV
minimum distance =  2.22289353245584 Angstroms
sigma value = 33


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

Energy: 0.020017514842742473
Energy: 0.0208127047680361
Energy: 0.020831143562136528
Energy: 0.022783768873201174
Energy: 0.9433844365673975
Energy: 0.0206526567990805
Energy: 0.021655659894046084
Energy: 0.16189553870411696
Energy: 0.15986612272953582
Energy: 0.1598141338113254
Energy: 0.15955822451095106
Energy: 0.1593073846198571
Energy: 1.4125513226432713
Energy: 0.9436020094808614
Energy: 0.9418922980806064
Energy: 0.9414655780014034
Energy: 0.9419016416811365
Energy: 0.9417147618572834
Energy: 0.6218669699988104
Energy: 0.1618955387031806
Energy: 0.15986612272589443
Energy: 0.1598141338099729
Energy: 0.15955822451095106
Energy: 0.15930738461850458

minimum gb energy = 0.020017514842742473 eV
minimum distance =  2.45719294361782 Angstroms
sigma value = 1