Model name: model_name=EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523954182863236
cohesive_energy=4.432448362714347
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.6741930198093997e-19, 3.52137595856958e-19, 4.15928258539668e-19, 4.69761393442068e-19, 5.137347333388319e-19, 5.4812545478764195e-19, 5.74702360792434e-19, 5.954361286130279e-19, 6.119401501198619e-19, 6.25470531793992e-19, 6.369901817924519e-19, 6.4719604695103195e-19, 6.56536736727252e-19, 6.65228544966702e-19, 6.733227413216699e-19, 6.8077286266977e-19, 6.874907892961319e-19, 6.93399616722324e-19, 6.984560861792279e-19, 7.026489824304059e-19, 7.059382510600079e-19, 7.0827422459238e-19, 7.096520964976199e-19, 7.101007059551399e-19, 7.096248594948419e-19, 7.081140069289799e-19, 7.0544638283337e-19, 7.01503426137096e-19, 6.961617692393401e-19, 6.89286829302846e-19, 6.80718388664214e-19, 6.702433578311219e-19, 6.57566936302914e-19, 6.422773646846519e-19, 6.238170855077039e-19, 6.014699258166719e-19, 5.74361097169392e-19, 5.41486034816346e-19, 5.01748849939878e-19, 4.53909457825272e-19, 3.9635767095535795e-19, 3.26597298134364e-19, 2.40485110586766e-19, 1.315335746861712e-19, -9.3245077922166e-21, -1.9352531344422598e-19, -4.34644885978056e-19, -7.495318750945139e-19, -1.168321621102506e-18, -1.7617534267464e-18, -2.6560403585461797e-18, -4.0445026513369194e-18, -6.371840451651659e-18, -1.0693840095997379e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017990628562363307
Energy: 0.018483264795713283
Energy: 0.689130822905536
Energy: 0.15956049979462886
Energy: 0.018483264795713283
Energy: 1.0353626162489609
Energy: 0.15956049979594894
Energy: 1.0353626162360532
Energy: 0.6891308229093864
Energy: 0.15956049979594894
Energy: 0.017990628562363307
Energy: 0.018483264795713283
Energy: 0.15956049979594894
Energy: 1.0353626162418836
Energy: 0.018483264795713283
Energy: 1.0353626162373732

minimum gb energy = 0.017990628562363307 eV
minimum distance =  2.40954672499562 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.490242484175643
Energy: 1.0574561064751442
Energy: 1.1238382095878896
Energy: 1.1228770894429354
Energy: 1.0628754107793639
Energy: 1.178611368249522
Energy: 1.0601052232151829
Energy: 1.1786113682487214
Energy: 1.1230346133764317
Energy: 1.1230116604280642
Energy: 1.6121580969645055
Energy: 1.1230116604248621
Energy: 1.064450869455823
Energy: 1.0588767760584903
Energy: 1.060272220894614
Energy: 1.0588767760576898
Energy: 1.3945526014140983
Energy: 1.0601721237532287
Energy: 1.0631263370145396
Energy: 1.0601721237524282
Energy: 1.0635736725857676
Energy: 1.2336754801036436
Energy: 1.0604683027905872
Energy: 1.233675480106045
Energy: 1.112254648367802
Energy: 1.107363329078138
Energy: 1.3931798518038017
Energy: 1.1073633290813398
Energy: 1.1243169919637668
Energy: 1.1802564676254985
Energy: 1.1878953666953305
Energy: 1.180256467624698
Energy: 1.2228915694714348
Energy: 1.22954453187191
Energy: 1.1812243750122575
Energy: 1.2295445318695084
Energy: 1.2022543452762062
Energy: 1.2225812274081698
Energy: 1.175014771808751
Energy: 1.2225812274089702
Energy: 1.2902821805669178
Energy: 1.2289802927665352
Energy: 1.223874906341296
Energy: 1.2289802927657345
Energy: 1.1241900843011325
Energy: 1.2310968785433372
Energy: 1.1870389461309432
Energy: 1.2310968785417362
Energy: 1.1081013045492343
Energy: 1.10707853329105
Energy: 1.0635780300968902
Energy: 1.107078533295853
Energy: 1.1243687648787783
Energy: 1.1086718261902244
Energy: 1.064605820491884
Energy: 1.1086718261934265
Energy: 1.063141999320369
Energy: 1.0587760677743725
Energy: 1.059613243188095
Energy: 1.0587760677743725
Energy: 1.0520667316437569
Energy: 1.0592440850270768
Energy: 1.058892243352321
Energy: 1.0592440850270768
Energy: 1.1209371763073843
Energy: 1.119810323860548
Energy: 1.0520583124163962
Energy: 1.119810323860548
Energy: 1.06035022517602
Energy: 1.0599688170175599
Energy: 1.0629707914268884
Energy: 1.0599688170175599
Energy: 1.0575770488118101
Energy: 1.1249321042417946
Energy: 1.1227546763930676
Energy: 1.124932104242595
Energy: 1.0625163919347917
Energy: 1.0594826100471457
Energy: 1.0646532003304963
Energy: 1.0594826100471457
Energy: 1.0593206996392714
Energy: 1.0608982844899575
Energy: 1.1202956559284516
Energy: 1.0608982844883565
Energy: 1.0601535221948402
Energy: 1.0592613921093048
Energy: 1.0634054411493115
Energy: 1.0592613921085043
Energy: 1.3907378657352767
Energy: 1.1110905308159817
Energy: 1.1119459479315088
Energy: 1.111090530815181
Energy: 1.1301671529615602
Energy: 1.1148021741196168
Energy: 1.125343340727068
Energy: 1.114802174118016
Energy: 1.1828075111961474
Energy: 1.2317306162142563
Energy: 1.2229669090867867
Energy: 1.2317306162142563
Energy: 1.174060007092575
Energy: 1.2331521975269648
Energy: 1.2040715208888702
Energy: 1.2331521975269648
Energy: 1.2241668019475331
Energy: 1.2290310069328814
Energy: 1.1669071237085402
Energy: 1.2290310069344823
Energy: 1.1866709435495204
Energy: 1.2333439872591774
Energy: 1.1229668730838038
Energy: 1.2333439872583767
Energy: 1.0640113290128965
Energy: 1.1071637939070718
Energy: 1.1075637587531433
Energy: 1.1071637939078722
Energy: 1.0649707214565958
Energy: 1.1081838677528948
Energy: 1.1248152935987017
Energy: 1.1081838677536953
Energy: 1.058576672816026
Energy: 1.0588036462115056
Energy: 1.0642378683280656
Energy: 1.058803646210705
Energy: 1.0589990929959059
Energy: 1.0593078574055534
Energy: 1.0519634283967148
Energy: 1.0593078574039523
Energy: 1.052194915248397
Energy: 1.1203514993882542
Energy: 1.1196749676454028
Energy: 1.1203514993890547

minimum gb energy = 1.0519634283967148 eV
minimum distance =  2.23015052199135 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.6871519443280905
Energy: 1.095470367717122
Energy: 1.1739137225228669
Energy: 1.1719564234264248
Energy: 1.1112288316553145
Energy: 1.2252140650354737
Energy: 1.101676118607443
Energy: 1.2252140650372991
Energy: 1.17075697992928
Energy: 1.1721666563939006
Energy: 1.5587677613387334
Energy: 1.172166656392988
Energy: 1.1095421695947918
Energy: 1.1008984814964329
Energy: 1.1015094495925564
Energy: 1.100898481490044
Energy: 1.5570483119842324
Energy: 1.1024859396579736
Energy: 1.10204103861643
Energy: 1.1024859396616244
Energy: 1.1082398333679548
Energy: 1.2407640164350802
Energy: 1.1034807491000551
Energy: 1.2407640164350802
Energy: 1.1737739790112898
Energy: 1.1738303181686347
Energy: 1.3284720771485468
Energy: 1.1738303181586365
Energy: 1.183197088728314
Energy: 1.1734224003378664
Energy: 1.244246324362564
Energy: 1.173422400341517
Energy: 1.3298740796211224
Energy: 1.2894223769175222
Energy: 1.2316167279942503
Energy: 1.2894223769220858
Energy: 1.245891066114036
Energy: 1.2935825225604367
Energy: 1.1808197514205616
Energy: 1.2935825225604367
Energy: 1.1125654746534621
Energy: 1.174205260068324
Energy: 1.1734306612234282
Energy: 1.174205260074713
Energy: 1.112060194484614
Energy: 1.1745279120330958
Energy: 1.1839701789219665
Energy: 1.1745279120285326
Energy: 1.103300274431082
Energy: 1.102164397244112
Energy: 1.1112920251340686
Energy: 1.1021643972404611
Energy: 1.1028024899823117
Energy: 1.102040098718849
Energy: 1.089025734403726
Energy: 1.1020400987179362
Energy: 1.089384257257941
Energy: 1.1678892037899824
Energy: 1.1702152184247177
Energy: 1.167889203785419
Energy: 1.1114852834545164
Energy: 1.1020392881821126
Energy: 1.1014807335649819
Energy: 1.102039288187589
Energy: 1.1725110859942633
Energy: 1.1737925538217207
Energy: 1.1006599793353289
Energy: 1.1737925538226333
Energy: 1.1091567452044295
Energy: 1.1015250871836912
Energy: 1.107302676704925
Energy: 1.1015250871882545
Energy: 1.1005145087600312
Energy: 1.1031149682266144
Energy: 1.1035594287021462
Energy: 1.1031149682266144
Energy: 1.1080836462972818
Energy: 1.1027878411102696
Energy: 1.1039551871681628
Energy: 1.1027878411139205
Energy: 1.1789881447857742
Energy: 1.1788631736301174
Energy: 1.328097497028088
Energy: 1.1788631736273791
Energy: 1.1831565397281298
Energy: 1.1795002960939627
Energy: 1.1829731629340545
Energy: 1.1795002960884866
Energy: 1.3309150375678531
Energy: 1.2921212923838372
Energy: 1.2359265837040665
Energy: 1.2921212923874879
Energy: 1.1816311686169916
Energy: 1.2970254223367503
Energy: 1.1810315654318007
Energy: 1.2970254223467903
Energy: 1.1112304671275623
Energy: 1.1755390597707749
Energy: 1.1725022575264086
Energy: 1.1755390597698623
Energy: 1.1128292331468295
Energy: 1.1745823783506013
Energy: 1.1803303047265075
Energy: 1.174582378355165
Energy: 1.1021380058810148
Energy: 1.1021343275123923
Energy: 1.1121018600022328
Energy: 1.102134327506916
Energy: 1.1027826267133483
Energy: 1.1023303689126545
Energy: 1.089002504034283
Energy: 1.102330368913567
Energy: 1.0885249104419668
Energy: 1.167358962327733
Energy: 1.1682629639451274
Energy: 1.1673589623259075

minimum gb energy = 1.0885249104419668 eV
minimum distance =  2.22976728016223 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.6189501428477295
Energy: 1.1352055209029643
Energy: 1.2261033912408035
Energy: 1.2257157598619617
Energy: 1.1698368358572215
Energy: 1.2739683405821767
Energy: 1.1501308909457386
Energy: 1.2739683405811157
Energy: 1.2244016961119477
Energy: 1.2209160758031727
Energy: 1.4796458601477478
Energy: 1.2209160758021118
Energy: 1.1594147250960167
Energy: 1.1500282475032295
Energy: 1.1496571855709532
Energy: 1.1500282475032295
Energy: 1.147821283105869
Energy: 1.149400776636676
Energy: 1.151740838095927
Energy: 1.149400776636676
Energy: 1.1587049653246948
Energy: 1.1494990016152404
Energy: 1.1498078945282788
Energy: 1.1494990016152404
Energy: 1.2284057921446077
Energy: 1.285633405962462
Energy: 1.2566264147163602
Energy: 1.285633405964584
Energy: 1.228957644693028
Energy: 1.2940834365246425
Energy: 1.1495333119372764
Energy: 1.2940834365257035
Energy: 1.2583484551731454
Energy: 1.2859188744226917
Energy: 1.3428460411762095
Energy: 1.2859188744216306
Energy: 1.2278191179802804
Energy: 1.2870072376491266
Energy: 1.150501049958641
Energy: 1.2870072376491266
Energy: 1.126464367880151
Energy: 1.150680698590191
Energy: 1.149263007745982
Energy: 1.15068069858913
Energy: 1.1258761836005644
Energy: 1.149361103716202
Energy: 1.1489686375440253
Energy: 1.1493611037151408
Energy: 1.2199608687412336
Energy: 1.2198830866303045
Energy: 1.1254563205857897
Energy: 1.2198830866303045
Energy: 1.1507225833727444
Energy: 1.1602266093971738
Energy: 1.1698214045264326
Energy: 1.1602266093971738
Energy: 1.1475676996799156
Energy: 1.2269259631900291
Energy: 1.2271120848614618
Energy: 1.2269259631910903
Energy: 1.1561240836703996
Energy: 1.1497011541044078
Energy: 1.1592870003992526
Energy: 1.149701154105469
Energy: 1.1501362989897195
Energy: 1.1518225875403838
Energy: 1.1475097637480942
Energy: 1.1518225875414447
Energy: 1.1507044797794126
Energy: 1.150341696610263
Energy: 1.158540142095405
Energy: 1.150341696610263
Energy: 1.2567227736311368
Energy: 1.2942665926470978
Energy: 1.2397651135178067
Energy: 1.294266592648159
Energy: 1.1512787953181918
Energy: 1.2937408210302053
Energy: 1.2351102858267613
Energy: 1.2937408210302053
Energy: 1.170070231849047
Energy: 1.2854251839834707
Energy: 1.2602764012548318
Energy: 1.2854251839834707
Energy: 1.1708198068481168
Energy: 1.2873767955991215
Energy: 1.2281682110939456
Energy: 1.2873767955991215
Energy: 1.1509345537233178
Energy: 1.150294039388147
Energy: 1.125899270417885
Energy: 1.150294039390269
Energy: 1.1490928633697828
Energy: 1.1500520717857707
Energy: 1.125890993956102
Energy: 1.1500520717868319
Energy: 1.1252084199000987
Energy: 1.2196242204322323
Energy: 1.2201130035055234
Energy: 1.2196242204322323

minimum gb energy = 1.1252084199000987 eV
minimum distance =  2.22791468833785 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.6329593644442222
Energy: 1.2380499943641465
Energy: 1.3072376681215367
Energy: 1.3056885049630162
Energy: 1.3142645948367035
Energy: 1.3464586017564972
Energy: 1.308335097444478
Energy: 1.3464586017564972
Energy: 1.2994278738550136
Energy: 1.2997255465863322
Energy: 1.3512846888582983
Energy: 1.2997255465850668
Energy: 1.2986868296840783
Energy: 1.3476116915911909
Energy: 1.262146060846908
Energy: 1.3476116915911909
Energy: 1.451406655910574
Energy: 1.2360474630352387
Energy: 1.2363588212970316
Energy: 1.2360474630339728
Energy: 1.251607053863309
Energy: 1.236835864269326
Energy: 1.2649489356515542
Energy: 1.2368358642680606
Energy: 1.3201832816875185
Energy: 1.3848502308095265
Energy: 1.424558173098074
Energy: 1.3848502308095265
Energy: 1.2794211378233435
Energy: 1.3868376719683693
Energy: 1.2649938749899206
Energy: 1.386837671965838
Energy: 1.2822070476909453
Energy: 1.2817645861002882
Energy: 1.2239560565736785
Energy: 1.2817645861002882
Energy: 1.3256131485827192
Energy: 1.2492999388007713
Energy: 1.2049735191628916
Energy: 1.2492999387957084
Energy: 1.1596846539869257
Energy: 1.1827102033756003
Energy: 1.181875551388968
Energy: 1.1827102033781316
Energy: 1.2942019009700025
Energy: 1.1608702858143856
Energy: 1.1826549855735378
Energy: 1.1608702858131197
Energy: 1.359173600288677
Energy: 1.3589691193335032
Energy: 1.3452589757941413
Energy: 1.3589691193335032
Energy: 1.3451552108648335
Energy: 1.2493890553586375
Energy: 1.3133733676389812
Energy: 1.2493890553586375
Energy: 1.4500436563999783
Energy: 1.248267667028657
Energy: 1.2557673018386448
Energy: 1.248267667028657
Energy: 1.2944839795167147
Energy: 1.24957447806342
Energy: 1.2555148801337639
Energy: 1.24957447806342
Energy: 1.2360247527079873
Energy: 1.3892126426333222
Energy: 1.4132201817842318
Energy: 1.3892126426333222
Energy: 1.292686646351205
Energy: 1.3885053280592938
Energy: 1.2545878730197169
Energy: 1.3885053280592938
Energy: 1.2334971976208629
Energy: 1.234080218856234
Energy: 1.2237357248370657
Energy: 1.234080218856234
Energy: 1.233724928346535
Energy: 1.2348943158864965
Energy: 1.223364619848764
Energy: 1.2348943158839938
Energy: 1.2236434916897332
Energy: 1.2956523473491093
Energy: 1.2956536797960752
Energy: 1.295652347350375

minimum gb energy = 1.1596846539869257 eV
minimum distance =  2.216598876355 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.3651926683358437
Energy: 1.2107799946079607
Energy: 1.3471689940211171
Energy: 1.3278404947489977
Energy: 1.3289124699738175
Energy: 1.316893849298266
Energy: 1.344613561763043
Energy: 1.3168938492967008
Energy: 1.3268199724174414
Energy: 1.328294511416527
Energy: 1.4143994353147957
Energy: 1.328294511416527
Energy: 1.3263779456908495
Energy: 1.317443895239057
Energy: 1.2372156969350563
Energy: 1.317443895239057
Energy: 1.2790991188499727
Energy: 1.3791237345441558
Energy: 1.238184648484344
Energy: 1.3791237345441558
Energy: 1.2016724871058284
Energy: 1.2866064078057047
Energy: 1.2365037665551228
Energy: 1.2866064078041395
Energy: 1.375976820325257
Energy: 1.2872934977734685
Energy: 1.2851077766836585
Energy: 1.2872934977672073
Energy: 1.1943881148169362
Energy: 1.3854722864501885
Energy: 1.2388422721710004
Energy: 1.3854722864501885
Energy: 1.3283298705733464
Energy: 1.328105996241012
Energy: 1.4553251057827423
Energy: 1.3281059962425772
Energy: 1.3441988445761501
Energy: 1.2045828542007326
Energy: 1.4518234832068238
Energy: 1.2045828542022978
Energy: 1.3406302833525072
Energy: 1.3277691855877798
Energy: 1.3441876129283097
Energy: 1.3277691855877798
Energy: 1.3230847705300504
Energy: 1.3184834028633354
Energy: 1.3294533498244887
Energy: 1.31848340286177
Energy: 1.2376160713216862
Energy: 1.3824996611844205
Energy: 1.2791318160547807
Energy: 1.3824996611859859
Energy: 1.2380453536974991
Energy: 1.2889090021185143
Energy: 1.2044026457473274
Energy: 1.2889090021185143
Energy: 1.2837363100275436
Energy: 1.2893151186497516
Energy: 1.19404347205224
Energy: 1.2893151186497516
Energy: 1.2380119914513952
Energy: 1.3804479691061098
Energy: 1.1937406724727742
Energy: 1.3804479691061098
Energy: 1.4517757748341515
Energy: 1.326830694901021
Energy: 1.3252369518363394
Energy: 1.326830694901021

minimum gb energy = 1.1937406724727742 eV
minimum distance =  2.23201763132199 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.8546524401345417
Energy: 1.3618728554453816
Energy: 1.457665832791999
Energy: 1.4559310837651895
Energy: 1.3129650399348929
Energy: 1.2745946432301138
Energy: 1.4494215875974636
Energy: 1.2745946432310002
Energy: 1.288932959897459
Energy: 1.288054344684186
Energy: 1.4480305673182643
Energy: 1.2880543446824129
Energy: 1.2889861074464846
Energy: 1.368352948841545
Energy: 1.2837450579421894
Energy: 1.3683529488424313
Energy: 1.437782085834214
Energy: 1.406518603158331
Energy: 1.2270068925089266
Energy: 1.4065186031592176
Energy: 1.288359126625642
Energy: 1.3690279351901395
Energy: 1.2873163412998534
Energy: 1.3690279351892531
Energy: 1.340858406364015
Energy: 1.2858866128758504
Energy: 1.2897152549772524
Energy: 1.2858866128740776
Energy: 1.513863205813612
Energy: 1.2857843431310823
Energy: 1.2862747012967606
Energy: 1.2857843431293092
Energy: 1.454618952203321
Energy: 1.432359656007582
Energy: 1.4290855126105357
Energy: 1.432359656007582
Energy: 1.4303102228651987
Energy: 1.4107083388060169
Energy: 1.4483196035529728
Energy: 1.4107083388051302
Energy: 1.4339549715728501
Energy: 1.2809124201788922
Energy: 1.2525341731930124
Energy: 1.2809124201788922
Energy: 1.4312370361168654
Energy: 1.277463096393653
Energy: 1.2584118908102284
Energy: 1.2774630963927667
Energy: 1.3428369698426847
Energy: 1.2762750824216988
Energy: 1.2750927282894036
Energy: 1.2762750824208124
Energy: 1.342055930295228
Energy: 1.2746774008324673
Energy: 1.2547258201387923
Energy: 1.2746774008324673
Energy: 1.430795144966121
Energy: 1.430064750395466
Energy: 1.5135884258532002
Energy: 1.430064750395466
Energy: 1.4648880419010193
Energy: 1.430408568740002
Energy: 1.5146024653117407
Energy: 1.4304085687408887
Energy: 1.4301705042805186
Energy: 1.2865278453825382
Energy: 1.2857419394379637
Energy: 1.286527845381652
Energy: 1.428919840587081
Energy: 1.2867993226862113
Energy: 1.2833547465703719
Energy: 1.286799322687098
Energy: 1.2868260615451605
Energy: 1.4077184563780083
Energy: 1.287078644237673
Energy: 1.4077184563762353
Energy: 1.319843990890154
Energy: 1.4092232067197965
Energy: 1.286027846511484
Energy: 1.40922320671891
Energy: 1.2865390495764084
Energy: 1.3103969196661576
Energy: 1.4570207191671172
Energy: 1.3103969196643845
Energy: 1.2869783792309728
Energy: 1.2890263968184028
Energy: 1.5444085200487998
Energy: 1.2890263968166298
Energy: 1.3725486977032701
Energy: 1.413125184933196
Energy: 1.4503445142112634
Energy: 1.413125184934969
Energy: 1.4304273232706686
Energy: 1.432237269157612
Energy: 1.4322772078305077
Energy: 1.432237269159385
Energy: 1.2539424934628265
Energy: 1.2758055630101313
Energy: 1.4309676891674803
Energy: 1.2758055630101313
Energy: 1.2778446008627262
Energy: 1.2768990853767606
Energy: 1.2834543681675303
Energy: 1.2768990853767606
Energy: 1.2526395150429757
Energy: 1.2576469737632539
Energy: 1.346229852102949
Energy: 1.2576469737614808
Energy: 1.269145297623046
Energy: 1.2775261291825077
Energy: 1.5467756314596464
Energy: 1.2775261291816213
Energy: 1.279561481025421
Energy: 1.2743125883543358
Energy: 1.3429143617171622
Energy: 1.2743125883543358
Energy: 1.514013315405106
Energy: 1.432598528469341
Energy: 1.4323511898245587
Energy: 1.432598528469341

minimum gb energy = 1.2270068925089266 eV
minimum distance =  2.22003451895886 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.7071606028007484
Energy: 1.1758913922748673
Energy: 1.3677140647589052
Energy: 1.3307256141826218
Energy: 1.4911743527250099
Energy: 1.2664844268377358
Energy: 1.3321900893851792
Energy: 1.2664844268377358
Energy: 1.3428546096046177
Energy: 1.3346183706778685
Energy: 1.4256075175078757
Energy: 1.3346183706799095
Energy: 1.331724744940561
Energy: 1.268032762233214
Energy: 1.330415067718465
Energy: 1.2680327622311731
Energy: 1.3583784672799388
Energy: 1.2674352582567512
Energy: 1.1683275638792143
Energy: 1.2674352582587922
Energy: 1.3298204236420113
Energy: 1.2705349128424261
Energy: 1.1749122531001386
Energy: 1.2705349128424261
Energy: 1.4859999761282119
Energy: 1.3304581749449957
Energy: 1.3325349448741377
Energy: 1.3304581749449957
Energy: 1.4862441571418143
Energy: 1.3288473278594402
Energy: 1.3279894901161582
Energy: 1.3288473278614812
Energy: 1.3379570032612151
Energy: 1.3329017534864134
Energy: 1.3457530708459937
Energy: 1.3329017534884542
Energy: 1.327759070562194
Energy: 1.269138168679777
Energy: 1.3352488155989062
Energy: 1.2691381686818177
Energy: 1.3537873850807296
Energy: 1.2715344302761082
Energy: 1.1763769722998214
Energy: 1.2715344302761082
Energy: 1.3363353643534184
Energy: 1.2668288014131226
Energy: 1.1606175867228232
Energy: 1.2668288014110818
Energy: 1.4862658667842061
Energy: 1.3292165049912221
Energy: 1.3266432068890222
Energy: 1.3292165049912221

minimum gb energy = 1.1606175867228232 eV
minimum distance =  2.2200312315384 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.6740992655533158
Energy: 1.3977083147994052
Energy: 1.5120566595034013
Energy: 1.5100808573150721
Energy: 1.3346560561366951
Energy: 1.2671772229511498
Energy: 1.4847069766837857
Energy: 1.2671772229526603
Energy: 1.2729417155156784
Energy: 1.2771330854805014
Energy: 1.5638327868297057
Energy: 1.2771330854789908
Energy: 1.2794035209239945
Energy: 1.273233179607767
Energy: 1.5622367122104468
Energy: 1.273233179605501
Energy: 1.2691874774830973
Energy: 1.2670681446573264
Energy: 1.5439456080673404
Energy: 1.267068144656571
Energy: 1.2700871385343715
Energy: 1.2672368375129444
Energy: 1.5432258437156723
Energy: 1.2672368375144552
Energy: 1.4807258151985994
Energy: 1.460027406504628
Energy: 1.4888073152033516
Energy: 1.460027406506894
Energy: 1.4814552167734925
Energy: 1.4586134129472996
Energy: 1.4591809333762338
Energy: 1.4586134129472996
Energy: 1.3175096145497618
Energy: 1.434998078415764
Energy: 1.3636009355327827
Energy: 1.4349980784165197
Energy: 1.2721944686687674
Energy: 1.3695094430303545
Energy: 1.4630329310222128
Energy: 1.369509443028844
Energy: 1.314084302444833
Energy: 1.3148770097099174
Energy: 1.3705501841502084
Energy: 1.3148770097121836
Energy: 1.3380133513298114
Energy: 1.3945565243807245
Energy: 1.5436274694393362
Energy: 1.3945565243799694
Energy: 1.4842801138262605
Energy: 1.3153759317412377
Energy: 1.3401782727914102
Energy: 1.3153759317427485
Energy: 1.483227311009293
Energy: 1.3163618363876566
Energy: 1.3172484313168924
Energy: 1.3163618363899228
Energy: 1.4585457662641534
Energy: 1.314162033812441
Energy: 1.3178935111391878
Energy: 1.314162033814707
Energy: 1.4529118525691362
Energy: 1.449983628262508
Energy: 1.3399984952999042
Energy: 1.449983628262508
Energy: 1.4659221605992712
Energy: 1.4071902081721412
Energy: 1.3177392784948767
Energy: 1.4071902081660983
Energy: 1.4603244585628727
Energy: 1.4614182762684629
Energy: 1.6733093897755036
Energy: 1.4614182762699737
Energy: 1.4850199856908781
Energy: 1.2663750656446888
Energy: 1.2851402046246214
Energy: 1.2663750656454442
Energy: 1.5659080029387697
Energy: 1.2748689635056663
Energy: 1.273030872979247
Energy: 1.2748689635041557
Energy: 1.500581783187978
Energy: 1.2699427218707746
Energy: 1.2749380919058053
Energy: 1.2699427218685084
Energy: 1.543418230267186
Energy: 1.266213586482809
Energy: 1.2665073275380792
Energy: 1.266213586482809
Energy: 1.5437366406851891
Energy: 1.267864932962153
Energy: 1.2686126883442073
Energy: 1.2678649329613978
Energy: 1.4907884979352377
Energy: 1.459589435374242
Energy: 1.4814161363422897
Energy: 1.459589435372731
Energy: 1.4598886495734456
Energy: 1.4589065763362654
Energy: 1.4812648654793124
Energy: 1.4589065763370208
Energy: 1.363118357190462
Energy: 1.442633992256701
Energy: 1.317115473299648
Energy: 1.442633992254435
Energy: 1.4605928189895332
Energy: 1.3700053015623253
Energy: 1.2715248290985313
Energy: 1.3700053015623253
Energy: 1.3700381922896268
Energy: 1.3155348470521366
Energy: 1.3157222715639667
Energy: 1.3155348470536474
Energy: 1.5440659616659709
Energy: 1.3361535428820495
Energy: 1.3380542057039138
Energy: 1.3361535428805387
Energy: 1.3389190166390177
Energy: 1.3148211054405432
Energy: 1.48630419607439
Energy: 1.3148211054412984
Energy: 1.3198581547787838
Energy: 1.3175658638043914
Energy: 1.4561963987357824
Energy: 1.3175658638036358
Energy: 1.317348991653385
Energy: 1.3148243849206174
Energy: 1.460580594057378
Energy: 1.314824384919107
Energy: 1.3396314864121577
Energy: 1.4519287858524974
Energy: 1.369727719032451
Energy: 1.4519287858517422
Energy: 1.3167214578383037
Energy: 1.4079410532966368
Energy: 1.3705760125677429
Energy: 1.4079410532958814
Energy: 1.6701220959680607
Energy: 1.4606075991277463
Energy: 1.4599269741269087
Energy: 1.460607599131523

minimum gb energy = 1.266213586482809 eV
minimum distance =  2.2249840354377 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.8005793254544205
Energy: 1.3552001191715328
Energy: 1.4757382852946663
Energy: 1.4043797396832325
Energy: 1.283433068813286
Energy: 1.2942814161188825
Energy: 1.4218174016855538
Energy: 1.2942814161188825
Energy: 1.302172336145336
Energy: 1.3032493684742117
Energy: 1.5224985220387242
Energy: 1.3032493684742117
Energy: 1.300850934984195
Energy: 1.300990579202636
Energy: 1.5326708862339458
Energy: 1.3009905792014376
Energy: 1.3009172931124977
Energy: 1.3004188860182782
Energy: 1.531566095361724
Energy: 1.3004188860182782
Energy: 1.3606895156100005
Energy: 1.2975470723449034
Energy: 1.5312443826720195
Energy: 1.297547072343705
Energy: 1.4281526649926617
Energy: 1.446999415738654
Energy: 1.4824274441783232
Energy: 1.446999415738654
Energy: 1.412453456762128
Energy: 1.444818244104111
Energy: 1.445155380390904
Energy: 1.4448182441053092
Energy: 1.3403182111519234
Energy: 1.4544390619574397
Energy: 1.4468018578407575
Energy: 1.454439061958638
Energy: 1.3644082211288444
Energy: 1.331629303137933
Energy: 1.445050324371125
Energy: 1.331629303139131
Energy: 1.3415174365799376
Energy: 1.2551710650681813
Energy: 1.2836280397494733
Energy: 1.25517106506938
Energy: 1.3569722560402977
Energy: 1.2558242044823689
Energy: 1.5069774438395582
Energy: 1.255824204479972
Energy: 1.4469198626474706
Energy: 1.2554135479871953
Energy: 1.3343501987284316
Energy: 1.2554135479883937
Energy: 1.4462977187710864
Energy: 1.345488291735997
Energy: 1.339622060302672
Energy: 1.345488291735997
Energy: 1.4644329396147606
Energy: 1.3386168839277681
Energy: 1.3381066813672513
Energy: 1.33861688392657
Energy: 1.5281933623666406
Energy: 1.3401888919217964
Energy: 1.3377053013571025
Energy: 1.340188891920598
Energy: 1.5310122856655308
Energy: 1.3319069693177266
Energy: 1.3396871596045985
Energy: 1.3319069693177266
Energy: 1.4450623208611673
Energy: 1.42346374932338
Energy: 1.5307534632829332
Energy: 1.4234637493221813
Energy: 1.4107271782271185
Energy: 1.4121024200822985
Energy: 1.4125348643559767
Energy: 1.4121024200834968
Energy: 1.471478981639697
Energy: 1.414128082754183
Energy: 1.4041854793678428
Energy: 1.4141280827529843
Energy: 1.4105533563674335
Energy: 1.4234888166072452
Energy: 1.3196872546090797
Energy: 1.4234888166072452
Energy: 1.5312320076352617
Energy: 1.404203125430383
Energy: 1.4043160130276768
Energy: 1.4042031254315814

minimum gb energy = 1.2551710650681813 eV
minimum distance =  2.21224068208575 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.1047155680052656
Energy: 1.3280523047169008
Energy: 1.4830690823041717
Energy: 1.3971378958558789
Energy: 1.3873809834343205
Energy: 1.3104660358059979
Energy: 1.518803537346681
Energy: 1.31046603580854
Energy: 1.2998186843390234
Energy: 1.302019246205983
Energy: 1.4365948470615613
Energy: 1.302019246205983
Energy: 1.3043886541486227
Energy: 1.3072238253347734
Energy: 1.5195087207223088
Energy: 1.3072238253339261
Energy: 1.2964051897330642
Energy: 1.2938459452887554
Energy: 1.4870943859677284
Energy: 1.293845945285366
Energy: 1.4089415526023077
Energy: 1.2929677604551784
Energy: 1.4871297042655052
Energy: 1.292967760450941
Energy: 1.5137162642327422
Energy: 1.299214363767376
Energy: 1.3111641071925377
Energy: 1.2992143637665288
Energy: 1.516097730439172
Energy: 1.2918049793077115
Energy: 1.2916231157788272
Energy: 1.2918049793085589
Energy: 1.5313522845007583
Energy: 1.307966276198264
Energy: 1.3068695668250425
Energy: 1.3079662762067383
Energy: 1.553800007952586
Energy: 1.2962376738655021
Energy: 1.2932631851591043
Energy: 1.2962376738621126
Energy: 1.5191069689611734
Energy: 1.395352478033666
Energy: 1.408774915895449
Energy: 1.395352478033666
Energy: 1.3978366696194813
Energy: 1.4009303114462957
Energy: 1.4983682397454325
Energy: 1.400930311442906
Energy: 1.3983282959257286
Energy: 1.4045823712129781
Energy: 1.400607507709324
Energy: 1.4045823712138255
Energy: 1.3978900650653403
Energy: 1.411644100747645
Energy: 1.3280651909813426
Energy: 1.411644100741713
Energy: 1.3985443610921173
Energy: 1.405542715455306
Energy: 1.2997642291561442
Energy: 1.4055427154476794
Energy: 1.5231199715832806
Energy: 1.4003914869925236
Energy: 1.3972270817910677
Energy: 1.4003914869865914
Energy: 1.3235384022555063
Energy: 1.3945574441595998
Energy: 1.5188051664398745
Energy: 1.3945574441595998
Energy: 1.2929729548871283
Energy: 1.297329480487762
Energy: 1.4380657144841813
Energy: 1.2973294804869147
Energy: 1.3079588997572393
Energy: 1.3083275844959323
Energy: 1.5196519560403985
Energy: 1.3083275845001694
Energy: 1.2912670129136459
Energy: 1.292030594124956
Energy: 1.2983544784213432
Energy: 1.2920305941266508
Energy: 1.3110783256107574
Energy: 1.2990192865121368
Energy: 1.48754115673626
Energy: 1.2990192865197636
Energy: 1.5161785092753661
Energy: 1.2931962183201653
Energy: 1.3089934109694823
Energy: 1.293196218327792
Energy: 1.5139420898076565
Energy: 1.2938299733725562
Energy: 1.2940885992742335
Energy: 1.2938299733717087
Energy: 1.5287422405046642
Energy: 1.310756980477872
Energy: 1.3112423227644059
Energy: 1.31075698047194
Energy: 1.4900869798237235
Energy: 1.3021749074429954
Energy: 1.3000544831800451
Energy: 1.3021749074396058
Energy: 1.4915234988293629
Energy: 1.30797352824631
Energy: 1.2942386664406136
Energy: 1.3079735282454628
Energy: 1.3998465486759557
Energy: 1.3967412075573362
Energy: 1.8256153813503344
Energy: 1.3967412075641157
Energy: 1.3956573360823388
Energy: 1.4020679375637046
Energy: 1.3961102196776158
Energy: 1.4020679375594676
Energy: 1.396976911829082
Energy: 1.4053801439988887
Energy: 1.398349989451323
Energy: 1.405380143995499
Energy: 1.3951623301697893
Energy: 1.407424025743944
Energy: 1.327931533320862
Energy: 1.4074240257447914
Energy: 1.3254326155352305
Energy: 1.3962811627739695
Energy: 1.3982058095630014
Energy: 1.3962811627722744

minimum gb energy = 1.2912670129136459 eV
minimum distance =  2.21520335876794 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.2719521771351585
Energy: 1.2651696411899833
Energy: 1.3643492743933725
Energy: 1.3590247052224378
Energy: 1.236385555708546
Energy: 1.3554967095491757
Energy: 1.2571517369863603
Energy: 1.3554967095485853
Energy: 1.2529792189324618
Energy: 1.3606785815424698
Energy: 1.2455991714723815
Energy: 1.360678581543618
Energy: 1.2350983618406954
Energy: 1.2552801664167206
Energy: 1.252265625057874
Energy: 1.2552801664176063
Energy: 1.2508290658340422
Energy: 1.257570904236562
Energy: 1.2357726460414211
Energy: 1.257570904236562
Energy: 1.250967886038122
Energy: 1.3574481723980896
Energy: 1.2359597519596888
Energy: 1.3574481723986802
Energy: 1.2419644622916066
Energy: 1.3597552500013286
Energy: 1.2512953294024014
Energy: 1.3597552500030665
Energy: 1.2562237592480336
Energy: 1.257531681367777
Energy: 1.2350068471897395
Energy: 1.2575316813680397
Energy: 1.236069132318725
Energy: 1.256643601735683
Energy: 1.2582273327168556
Energy: 1.2566436017365687

minimum gb energy = 1.2350068471897395 eV
minimum distance =  2.24485980639906 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.7221606146226558
Energy: 1.2108229021118986
Energy: 1.413047241698056
Energy: 1.254313594657792
Energy: 1.2821058864714752
Energy: 1.2494532219609855
Energy: 1.415529966358935
Energy: 1.249453221963387
Energy: 1.415605893607443
Energy: 1.3626176877870289
Energy: 1.422906819082572
Energy: 1.3626176877862286
Energy: 1.2785462809016181
Energy: 1.2447843089984494
Energy: 1.409101293749992
Energy: 1.2447843089984494
Energy: 1.4067312262512066
Energy: 1.2460292220761786
Energy: 1.4277256749201965
Energy: 1.2460292220769789
Energy: 1.2458627254710322
Energy: 1.2460337610973293
Energy: 1.4121088347369477
Energy: 1.2460337610957282
Energy: 1.247188744205202
Energy: 1.2484084308137056
Energy: 1.4119466860879608
Energy: 1.2484084308153065
Energy: 1.2536589067859654
Energy: 1.2490271094804903
Energy: 1.530794094489135
Energy: 1.249027109481291
Energy: 1.2855449945958402
Energy: 1.2951165848892907
Energy: 1.5412315782559571
Energy: 1.29511658488849
Energy: 1.4190522155798027
Energy: 1.2171035866525493
Energy: 1.2189141663025675
Energy: 1.2171035866525493
Energy: 1.292062927689286
Energy: 1.2126341412375545
Energy: 1.2150350940122399
Energy: 1.2126341412367538
Energy: 1.5383730700064693
Energy: 1.2114058967066308
Energy: 1.211679537102398
Energy: 1.2114058967034287
Energy: 1.5407070158882163
Energy: 1.2121878871293152
Energy: 1.2521065987427153
Energy: 1.2121878871277143
Energy: 1.286491783759445
Energy: 1.2917424268314217
Energy: 1.416686573177023
Energy: 1.29174242682902
Energy: 1.2469581646798127
Energy: 1.247603052177105
Energy: 1.4144254478406744
Energy: 1.2476030521763048
Energy: 1.2503644399678984
Energy: 1.2478502942908019
Energy: 1.4094563166901923
Energy: 1.2478502942900012
Energy: 1.251649628349319
Energy: 1.2504551971054005
Energy: 1.2779118702736119
Energy: 1.2504551971037994
Energy: 1.4169166497379473
Energy: 1.2517059727862563
Energy: 1.281551159354521
Energy: 1.2517059727862563
Energy: 1.4174272755253539
Energy: 1.365196650996221
Energy: 1.4153260169535937
Energy: 1.365196650996221
Energy: 1.4080970630861827
Energy: 1.2455291044456511
Energy: 1.2794698911438644
Energy: 1.2455291044472523
Energy: 1.4120550386613482
Energy: 1.249628120796355
Energy: 1.4073683513875364
Energy: 1.2496281207971558
Energy: 1.4279894423578385
Energy: 1.245934532276227
Energy: 1.2472920767820517
Energy: 1.2459345322778281
Energy: 1.4113257103762598
Energy: 1.2477775297821705
Energy: 1.2464320682220278
Energy: 1.247777529782971
Energy: 1.5315806176991755
Energy: 1.2481926131448795
Energy: 1.2508197455155432
Energy: 1.2481926131456802
Energy: 1.5444707791563759
Energy: 1.2927821141051594
Energy: 1.2910782795737585
Energy: 1.2927821141051594
Energy: 1.2112674749017893
Energy: 1.2138541826113673
Energy: 1.4204482495100537
Energy: 1.2138541826121678
Energy: 1.2181780326850649
Energy: 1.2156786649032614
Energy: 1.286661619383281
Energy: 1.215678664904062
Energy: 1.212445620210563
Energy: 1.2134423194431196
Energy: 1.2938115532736991
Energy: 1.2134423194439197
Energy: 1.2098008548339414
Energy: 1.2136236756015277
Energy: 1.5271997994853612
Energy: 1.213623675599126
Energy: 1.4154350642325615
Energy: 1.2907835394307736
Energy: 1.2885838649606571
Energy: 1.2907835394307736
Energy: 1.4156053033020988
Energy: 1.2477246451925839
Energy: 1.2483219220414092
Energy: 1.2477246451917834
Energy: 1.4115581553585497
Energy: 1.2473979285585344
Energy: 1.2481216238296733
Energy: 1.247397928559335
Energy: 1.277479715455308
Energy: 1.2479048420611165
Energy: 1.2502735726148038
Energy: 1.247904842060316

minimum gb energy = 1.2098008548339414 eV
minimum distance =  2.1692798784486 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 2.023023667577826
Energy: 1.1737323784427305
Energy: 1.3881377374376582
Energy: 1.2103263561799307
Energy: 1.2146198439015108
Energy: 1.2121682953383786
Energy: 1.4432726872736357
Energy: 1.2121682953383786
Energy: 1.376368720242387
Energy: 1.3561889482757858
Energy: 1.4436313263749925
Energy: 1.3561889482768927
Energy: 1.3474052821086266
Energy: 1.3570264735727096
Energy: 1.2135861236386292
Energy: 1.3570264735738164
Energy: 1.3575066645638183
Energy: 1.2176453891478292
Energy: 1.3443766107414752
Energy: 1.2176453891478292
Energy: 1.2179678151985196
Energy: 1.2187338231873492
Energy: 1.3447030585838136
Energy: 1.2187338231862423
Energy: 1.217449498122196
Energy: 1.2185397095910595
Energy: 1.4344345117990283
Energy: 1.218539709589953
Energy: 1.2285705007253818
Energy: 1.2219515605890638
Energy: 1.5144793111480521
Energy: 1.221951560587957
Energy: 1.2482028777389131
Energy: 1.2941266061110273
Energy: 1.5160870835026314
Energy: 1.2941266061110273
Energy: 1.506913793200299
Energy: 1.155453056234593
Energy: 1.2691986630060834
Energy: 1.1554530562379135
Energy: 1.230291419807252
Energy: 1.1555310375445729
Energy: 1.272747994436185
Energy: 1.1555310375445729
Energy: 1.5941882536042913
Energy: 1.1525174788993133
Energy: 1.2651230714123054
Energy: 1.1525174788982064
Energy: 1.5944994333627724
Energy: 1.153341117675507
Energy: 1.2697577562666489
Energy: 1.153341117676614
Energy: 1.228775121193953
Energy: 1.3002196916710724
Energy: 1.4918924314858626
Energy: 1.300219691668859
Energy: 1.345654412575412
Energy: 1.3009406852232592
Energy: 1.491698958567001
Energy: 1.3009406852199388
Energy: 1.344006951379122
Energy: 1.4213165377452777
Energy: 1.2098187207824436
Energy: 1.4213165377431143
Energy: 1.218375125485231
Energy: 1.2200369686760413
Energy: 1.3464665430118885
Energy: 1.2200369686771482
Energy: 1.230773663127574
Energy: 1.223768390644215
Energy: 1.3306712306015103
Energy: 1.223768390645322
Energy: 1.2202654202574632
Energy: 1.21975924661376
Energy: 1.518779418827993
Energy: 1.2197592466159735
Energy: 1.2181254860131054
Energy: 1.2244095013034624
Energy: 1.5143737206606118
Energy: 1.2244095013012488
Energy: 1.5201528330957805
Energy: 1.2077445387286088
Energy: 1.208731978933589
Energy: 1.2077445387308225
Energy: 1.5059740195190763
Energy: 1.2091449079173444
Energy: 1.2123117710183924
Energy: 1.2091449079151306
Energy: 1.3549823187323207
Energy: 1.2089538479021769
Energy: 1.2088476898353064
Energy: 1.2089538479021769
Energy: 1.5250296704138964
Energy: 1.2095144006442389
Energy: 1.2103942604567113
Energy: 1.2095144006409186

minimum gb energy = 1.1525174788982064 eV
minimum distance =  2.15881517252443 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.9688688432672312
Energy: 1.1582659116107505
Energy: 1.3787316403793262
Energy: 1.190889034706051
Energy: 1.2114904798169566
Energy: 1.1885829053485657
Energy: 1.3353668668265548
Energy: 1.1885829053499337
Energy: 1.449593999872504
Energy: 1.1833155810501794
Energy: 1.3547574936757845
Energy: 1.1833155810474427
Energy: 1.4573473730425393
Energy: 1.2610285776110695
Energy: 1.3304059263505348
Energy: 1.261028577609017
Energy: 1.3065855339633863
Energy: 1.159915733006845
Energy: 1.468357088268306
Energy: 1.1599157330047931
Energy: 1.160501745682076
Energy: 1.1594680900435328
Energy: 1.4679702241583374
Energy: 1.1594680900421648
Energy: 1.1597835065607642
Energy: 1.1602198099222754
Energy: 1.2143988434797355
Energy: 1.1602198099215908
Energy: 1.1675406220269609
Energy: 1.1643425377228407
Energy: 1.4875250141436605
Energy: 1.1643425377207886
Energy: 1.480821856551593
Energy: 1.1600301969184676
Energy: 1.4491637734939642
Energy: 1.160030196919152
Energy: 1.3572706107949464
Energy: 1.2640821354304053
Energy: 1.329817791198098
Energy: 1.2640821354290372
Energy: 1.4745302615685298
Energy: 1.1854523177094394
Energy: 1.2063103052335233
Energy: 1.1854523177101237
Energy: 1.4681352093253255
Energy: 1.188199187890165
Energy: 1.3298918365927
Energy: 1.188199187890165
Energy: 1.4666380623325297
Energy: 1.1853943428290268
Energy: 1.1868233150921688
Energy: 1.1853943428269744
Energy: 1.1882230567210925
Energy: 1.1852033969990323
Energy: 1.1851421350014106
Energy: 1.1852033970004003
Energy: 1.452529541393105
Energy: 1.1878941858468952
Energy: 1.1919205558715338
Energy: 1.1878941858496315
Energy: 1.4913302588812494
Energy: 1.187109687350302
Energy: 1.188180668077661
Energy: 1.1871096873489337
Energy: 1.186502243766833
Energy: 1.1899784708805172
Energy: 1.470242580587185
Energy: 1.1899784708825694
Energy: 1.18455523074933
Energy: 1.1846189755847523
Energy: 1.4815857879280312
Energy: 1.1846189755854364
Energy: 1.1862072986685386
Energy: 1.1907394690848645
Energy: 1.4446925341522967
Energy: 1.1907394690869166
Energy: 1.18648130140408
Energy: 1.1870678547537883
Energy: 1.4867833358076015
Energy: 1.1870678547544724
Energy: 1.342800789626746
Energy: 1.1868813324430978
Energy: 1.186521784153351
Energy: 1.1868813324458338
Energy: 1.354131534489319
Energy: 1.1847304654102164
Energy: 1.45354073309389
Energy: 1.1847304654115847
Energy: 1.3309244071015873
Energy: 1.2584483801507482
Energy: 1.449673470581981
Energy: 1.258448380148696
Energy: 1.468210536943968
Energy: 1.161892985903474
Energy: 1.3062179247133772
Energy: 1.1618929859027898
Energy: 1.4692192654558174
Energy: 1.1598704422910644
Energy: 1.1592549077041514
Energy: 1.1598704422924326
Energy: 1.329071321918513
Energy: 1.1612692772306552
Energy: 1.1634900357769558
Energy: 1.1612692772320237
Energy: 1.48762725825232
Energy: 1.16096360844978
Energy: 1.1587714367154667
Energy: 1.1609636084456758
Energy: 1.4450161647258182
Energy: 1.1625260424507124
Energy: 1.4855130059607984
Energy: 1.162526042452765
Energy: 1.3385324709914195
Energy: 1.2624831677818376
Energy: 1.3515033299767285
Energy: 1.262483167779785
Energy: 1.2069922191230418
Energy: 1.1846382268361542
Energy: 1.3082371333948788
Energy: 1.1846382268368385
Energy: 1.3291400552907402
Energy: 1.1840038178098213
Energy: 1.4670683928495232
Energy: 1.1840038178098213
Energy: 1.1860723010469518
Energy: 1.184350965860828
Energy: 1.4672775538087768
Energy: 1.1843509658601439
Energy: 1.1840924618721604
Energy: 1.1852629609816918
Energy: 1.1875085500643887
Energy: 1.1852629609857965
Energy: 1.1978132242960193
Energy: 1.1905546695432416
Energy: 1.4516763551224987
Energy: 1.1905546695418734
Energy: 1.1875754149714146
Energy: 1.2312632052976993
Energy: 1.4898263949897639
Energy: 1.2312632052976993
Energy: 1.4855309535820949
Energy: 1.1925273037936495
Energy: 1.1856559363161265
Energy: 1.1925273037950175
Energy: 1.47812123383657
Energy: 1.1857404951804018
Energy: 1.1857211363154496
Energy: 1.1857404951845065
Energy: 1.4495505561003714
Energy: 1.1952336874457083
Energy: 1.186514019602411
Energy: 1.1952336874450242

minimum gb energy = 1.1582659116107505 eV
minimum distance =  2.18215745759419 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 2.1120747760947545
Energy: 1.0906787171424694
Energy: 1.315495950363193
Energy: 1.1004801972919993
Energy: 1.0942717139656402
Energy: 1.220273766504839
Energy: 1.1077369817290024
Energy: 1.220273766504839
Energy: 1.0902260601642797
Energy: 1.221883826673319
Energy: 1.1193440261490755
Energy: 1.221883826673319
Energy: 1.089297881921331
Energy: 1.2150171889416161
Energy: 1.1005277397868642
Energy: 1.215017188939826
Energy: 1.0995556703788603
Energy: 1.099769643145158
Energy: 1.1076118644170643
Energy: 1.099769643145158
Energy: 1.1006789195215299
Energy: 1.0991102951503675
Energy: 1.1073784257139634
Energy: 1.0991102951503675
Energy: 1.0979461322549977
Energy: 1.0968122257584263
Energy: 1.101636077735551
Energy: 1.0968122257584263
Energy: 1.0991314417308384
Energy: 1.1017925058415918
Energy: 1.0925438808085137
Energy: 1.1017925058415918
Energy: 1.1055076795915475
Energy: 1.0982756195070524
Energy: 1.0986330790255119
Energy: 1.0982756195070524
Energy: 1.1074886663143744
Energy: 1.217456455732069
Energy: 1.1046468770965816
Energy: 1.217456455732069
Energy: 1.1042444247255785
Energy: 1.2140994878465827
Energy: 1.0867081709591295
Energy: 1.2140994878465827
Energy: 1.1081405837107996
Energy: 1.0994750858134568
Energy: 1.102658618933138
Energy: 1.0994750858134568
Energy: 1.107856221437348
Energy: 1.1050230383012452
Energy: 1.0984315993015419
Energy: 1.1050230383012452
Energy: 1.1002800075416836
Energy: 1.0965137335651562
Energy: 1.096889764629959
Energy: 1.0965137335651562
Energy: 1.0923216208616229
Energy: 1.0997116762592922
Energy: 1.1018705378377727
Energy: 1.0997116762592922

minimum gb energy = 1.0867081709591295 eV
minimum distance =  2.19861473612486 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.8656892418968962
Energy: 1.0351390527973257
Energy: 1.2928923607286535
Energy: 1.052255466325479
Energy: 1.0516943982320575
Energy: 1.0467214248952292
Energy: 1.2118020566296122
Energy: 1.04672142489748
Energy: 1.0506525336724613
Energy: 1.04271008402245
Energy: 1.2235878422990143
Energy: 1.0427100840216996
Energy: 1.390740266058463
Energy: 1.0413217179750476
Energy: 1.2065148996423058
Energy: 1.041321717973547
Energy: 1.2088670037501614
Energy: 1.0451084723677742
Energy: 1.2000210561206694
Energy: 1.0451084723722757
Energy: 1.207114348371837
Energy: 1.045063534483205
Energy: 1.199302382044523
Energy: 1.045063534472702
Energy: 1.206934143239068
Energy: 1.042845506941448
Energy: 1.2031299687487786
Energy: 1.0428455069429485
Energy: 1.2078333383287787
Energy: 1.0427650617699895
Energy: 1.2252822363993001
Energy: 1.0427650617722404
Energy: 1.0402247787227783
Energy: 1.0527371591518058
Energy: 1.2146674580945578
Energy: 1.052737159159308
Energy: 1.0416531995467737
Energy: 1.0413511307513006
Energy: 1.2143355274028123
Energy: 1.0413511307520507
Energy: 1.0448254834071826
Energy: 1.0437269805003655
Energy: 1.867110396744967
Energy: 1.0437269805048668
Energy: 1.201352016151243
Energy: 1.1114058092580223
Energy: 1.2142630505202288
Energy: 1.1114058092587724
Energy: 1.2044358216929534
Energy: 1.114255896273303
Energy: 1.200298917460583
Energy: 1.114255896279305
Energy: 1.3769566743689396
Energy: 1.1094231152444745
Energy: 1.3564524653899845
Energy: 1.1094231152474754
Energy: 1.2050505959556563
Energy: 1.0479122616691001
Energy: 1.3762890661891658
Energy: 1.047912261675852
Energy: 1.2048288858078293
Energy: 1.0445895169189834
Energy: 1.053582358056639
Energy: 1.0445895169107307
Energy: 1.2029625873646919
Energy: 1.043611764530528
Energy: 1.0473388370658245
Energy: 1.0436117645732914
Energy: 1.0494964969570537
Energy: 1.0432641558570939
Energy: 1.0451735052095723
Energy: 1.043264155848091
Energy: 1.3441342931703049
Energy: 1.0426466952690063
Energy: 1.2013085507201673
Energy: 1.042646695271257
Energy: 1.2128944711877525
Energy: 1.041497549714021
Energy: 1.2222991557130953
Energy: 1.0414975497245242
Energy: 1.4420876692315487
Energy: 1.0424790371572954
Energy: 1.2024272420655087
Energy: 1.0424790371550448
Energy: 1.2126645267343392
Energy: 1.0424969231154348
Energy: 1.1987709869765255
Energy: 1.0424969231244376
Energy: 1.2118858166824247
Energy: 1.0469332482779152
Energy: 1.2013688583739268
Energy: 1.0469332482696627
Energy: 1.0511715541835451
Energy: 1.0414584924797723
Energy: 1.3797821401708028
Energy: 1.0414584924940267
Energy: 1.2034076036115233
Energy: 1.042072433787754
Energy: 1.204831331390106
Energy: 1.0420724337885041
Energy: 1.0435871404877666
Energy: 1.0420010128664694
Energy: 1.205290162882291
Energy: 1.0420010128694701
Energy: 1.041766426551801
Energy: 1.0415023652325004
Energy: 1.209234610235379
Energy: 1.041502365240753
Energy: 1.0418472901735012
Energy: 1.0430656540144543
Energy: 1.0502083776084554
Energy: 1.0430656540092027
Energy: 1.19955623630234
Energy: 1.0421391020691886
Energy: 1.3455668468829494
Energy: 1.0421391020684383
Energy: 1.2211462166222713
Energy: 1.1098016911818511
Energy: 1.2005508696218286
Energy: 1.1098016911773498
Energy: 1.202719933521317
Energy: 1.111951190408938
Energy: 1.4434189462205973
Energy: 1.1119511904171908
Energy: 1.2057896943694346
Energy: 1.0441208467927645
Energy: 1.2008053796817932
Energy: 1.0441208467860124
Energy: 1.2048479071112215
Energy: 1.0514635565806836
Energy: 1.0425226547870774
Energy: 1.0514635565806836
Energy: 1.377952733471728
Energy: 1.0412975718917796
Energy: 1.0423834147491906
Energy: 1.041297571886528
Energy: 1.344461121759758
Energy: 1.0460429392636255
Energy: 1.0479319399705835
Energy: 1.0460429392643755

minimum gb energy = 1.0351390527973257 eV
minimum distance =  2.19133436639947 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.82996706291082
Energy: 0.9744862354145396
Energy: 0.9892346577370783
Energy: 0.988400227332211
Energy: 1.0976446247838825
Energy: 0.988085622313372
Energy: 1.2657784676861306
Energy: 0.988085622313372
Energy: 1.380056440230117
Energy: 0.9867972718174166
Energy: 1.264319037952081
Energy: 0.9867972718199982
Energy: 1.3799009351867055
Energy: 1.1118896202403783
Energy: 1.0016566166783694
Energy: 1.1118896202390876
Energy: 1.2408166670787852
Energy: 0.9559707164708711
Energy: 1.3804140336595812
Energy: 0.9559707164708711
Energy: 1.2532719782534965
Energy: 0.9611123882009283
Energy: 1.0976083089932842
Energy: 0.961112388202219
Energy: 1.1157536413345968
Energy: 0.9612148708965073
Energy: 1.4951049182595184
Energy: 0.9612148708977981
Energy: 1.2418831215166286
Energy: 0.9600685606276467
Energy: 1.1075060680302513
Energy: 0.9600685606289374
Energy: 1.1005914062901836
Energy: 0.9544392982607812
Energy: 1.115436877225624
Energy: 0.9544392982620719
Energy: 1.0994715935219244
Energy: 0.9542215446824965
Energy: 0.9541299421220552
Energy: 0.9542215446812059
Energy: 1.1454502451862096
Energy: 1.1455549703913634
Energy: 1.6385484185451251
Energy: 1.1455549703913634
Energy: 1.3690865228276627
Energy: 0.954353693880443
Energy: 0.9546941117857043
Energy: 0.9543536938817337
Energy: 1.3666121546419037
Energy: 0.953489439600749
Energy: 1.379967709435608
Energy: 0.953489439600749
Energy: 1.2415972481165949
Energy: 1.0897184566298141
Energy: 1.379909126721723
Energy: 1.0897184566285234
Energy: 1.3804140336608721
Energy: 1.0853863532600077
Energy: 1.2375344022906156
Energy: 1.0853863532625891
Energy: 1.0976083089932842
Energy: 1.0873438579074
Energy: 0.962966931630845
Energy: 1.0873438579074
Energy: 1.517163326898006
Energy: 1.0853676087217903
Energy: 1.1156609375939741
Energy: 1.0853676087192088
Energy: 1.1075060681076674
Energy: 0.9857578358451312
Energy: 1.0000827145123345
Energy: 0.985757835846422
Energy: 1.115436877225624
Energy: 0.9857893828334006
Energy: 0.9856842536750287
Energy: 0.9857893828334006
Energy: 1.2416895188168462
Energy: 0.9891150666107461
Energy: 0.9947511571379013
Energy: 0.9891150666107461

minimum gb energy = 0.953489439600749 eV
minimum distance =  2.18837977427719 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 2.119575658831208
Energy: 0.8855529456859609
Energy: 1.1816397034597856
Energy: 0.8838067270194246
Energy: 1.4239135183253253
Energy: 0.8782180737085387
Energy: 1.1107366317033815
Energy: 0.8782180737075307
Energy: 1.6145234938513227
Energy: 0.8761528863010558
Energy: 1.1087966946442531
Energy: 0.8761528863020637
Energy: 1.417087935080846
Energy: 0.8777291518618342
Energy: 1.2993578061611715
Energy: 0.8777291518618342
Energy: 1.3347327096410342
Energy: 0.9841567997007257
Energy: 1.520903387214283
Energy: 0.9841567996997178
Energy: 1.4198297874499688
Energy: 0.9830773075356012
Energy: 1.5250158427647824
Energy: 0.9830773075325774
Energy: 1.41854260678135
Energy: 0.8672086124907665
Energy: 1.3166453203420345
Energy: 0.8672086124917744
Energy: 1.0866757011931478
Energy: 0.8604277207928919
Energy: 1.6075314610167477
Energy: 0.8604277207949077
Energy: 1.0931411292816469
Energy: 0.8653822906805198
Energy: 1.3203086052838606
Energy: 0.8653822906825356
Energy: 1.0989423923588129
Energy: 0.8640677363801724
Energy: 1.697820805808925
Energy: 0.8640677363791645
Energy: 0.9809312994670101
Energy: 0.8609585939117257
Energy: 1.8185032365494824
Energy: 0.860958593908702
Energy: 0.9909865420517274
Energy: 0.8651322847567742
Energy: 1.6973875405512266
Energy: 0.86513228475879
Energy: 0.9842056030343588
Energy: 0.8651976294947781
Energy: 1.3229576390691924
Energy: 0.8651976294937701
Energy: 1.0043610554889968
Energy: 0.8618681907496223
Energy: 1.6914123481575785
Energy: 0.8618681907465985
Energy: 1.2093934762306098
Energy: 0.8602503892200092
Energy: 1.3150978906883795
Energy: 0.8602503892200092
Energy: 1.2060188196996706
Energy: 0.8611515079519498
Energy: 1.6153392255350263
Energy: 0.8611515079529578
Energy: 1.3358782627904942
Energy: 0.8624896196222435
Energy: 1.6171625809657626
Energy: 0.8624896196212355
Energy: 1.2194015544293182
Energy: 0.9805664046744421
Energy: 1.3164259928553619
Energy: 0.9805664046714184
Energy: 1.5068598779366988
Energy: 0.9657037608494877
Energy: 1.423961097502382
Energy: 0.965703760846464
Energy: 1.3355248786142433
Energy: 0.9660532407067121
Energy: 1.420914315484755
Energy: 0.9660532407067121
Energy: 1.607843852296722
Energy: 0.8802548107627686
Energy: 1.1028419586367282
Energy: 0.8802548107647844
Energy: 1.3360526140355382
Energy: 0.8749250210491107
Energy: 0.9862782485056771
Energy: 0.8749250210531423
Energy: 1.4247711216504078
Energy: 0.8762588954088277
Energy: 1.1007720675512196
Energy: 0.8762588954088277
Energy: 1.607973667071912
Energy: 0.8786441898815962
Energy: 0.8771125325283877
Energy: 0.8786441898846199
Energy: 1.3360122560512455
Energy: 0.8767921339930902
Energy: 0.8797579708444164
Energy: 0.8767921339930902
Energy: 1.6132011286282189
Energy: 0.8797700991440545
Energy: 0.8883897978413667
Energy: 0.8797700991460703

minimum gb energy = 0.8602503892200092 eV
minimum distance =  2.19502175115015 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.8842162519773724
Energy: 0.8088026635899633
Energy: 1.119940786324983
Energy: 0.7939141300250709
Energy: 1.5173543567878838
Energy: 0.7904075714003286
Energy: 0.981622703206132
Energy: 0.7904075714019061
Energy: 1.5137974807120753
Energy: 0.7904571596801288
Energy: 0.9921847888532385
Energy: 0.7904571596801288
Energy: 1.5128017442098833
Energy: 0.7912135111462612
Energy: 1.2041221747028947
Energy: 0.7912135111446086
Energy: 1.5291910604206524
Energy: 0.7892306086700625
Energy: 1.350578782168561
Energy: 0.7892306086684099
Energy: 1.5173512022430389
Energy: 0.7903186688186615
Energy: 1.3476482853835805
Energy: 0.7903186688161825
Energy: 1.5240574420763309
Energy: 0.8827662416801355
Energy: 1.5290271687606114
Energy: 0.8827662416809617
Energy: 1.3487674674939387
Energy: 0.8882708879281797
Energy: 1.3453547741421943
Energy: 0.888270887926527
Energy: 1.174795009987661
Energy: 0.7894732874351846
Energy: 1.678016261001392
Energy: 0.7894732874376637
Energy: 1.1746412339396477
Energy: 0.7893266823474532
Energy: 1.5315553369627468
Energy: 0.7893266823474532
Energy: 0.9840500217854434
Energy: 0.7924385709499608
Energy: 1.5253478647755034
Energy: 0.7924385709474818
Energy: 0.9844361939463796
Energy: 0.7887961211963013
Energy: 1.5312536840427924
Energy: 0.7887961211954749
Energy: 0.9839915630151536
Energy: 0.7915065832048123
Energy: 1.5311885471228777
Energy: 0.7915065832048123
Energy: 0.7912913267236825
Energy: 0.7916016419160549
Energy: 1.5244993487843521
Energy: 0.7916016419168811
Energy: 0.7928444215364014
Energy: 0.7915412480155394
Energy: 1.5292623977993298
Energy: 0.791541248012234
Energy: 0.8017283865732125
Energy: 0.7949998943328056
Energy: 1.5143036649918766
Energy: 0.7949998943361108
Energy: 0.9999075233709204
Energy: 0.7925953025383007
Energy: 1.513638845983848
Energy: 0.7925953025374743
Energy: 0.9856185880571241
Energy: 0.7893398136474059
Energy: 1.5282878821088477
Energy: 0.7893398136507114
Energy: 0.9867580419302403
Energy: 0.791708915023234
Energy: 1.5213903379749132
Energy: 0.791708915025713
Energy: 1.3529746430018958
Energy: 0.7900390849811939
Energy: 1.5173514782656248
Energy: 0.790039084983673
Energy: 1.3485156730754468
Energy: 0.7905068573608367
Energy: 1.5319110060980736
Energy: 0.7905068573608367
Energy: 1.353075960933309
Energy: 0.8845740633290347
Energy: 1.51454383713489
Energy: 0.8845740633257294
Energy: 1.6796158182402052
Energy: 0.878802981533385
Energy: 1.5150084893995508
Energy: 0.8788029815342112
Energy: 1.3540318409300198
Energy: 0.8879413103401972
Energy: 1.3516950340905691
Energy: 0.8879413103377184
Energy: 1.5324932716282647
Energy: 0.7901750809914942
Energy: 1.1829377153403444
Energy: 0.7901750809914942
Energy: 1.5312306869408459
Energy: 0.7927996454184784
Energy: 1.3482855535057903
Energy: 0.7927996454193047
Energy: 1.5259989049893277
Energy: 0.7921133298082758
Energy: 0.98761420484545
Energy: 0.7921133298074492
Energy: 1.5289010466667763
Energy: 0.7890602116191596
Energy: 0.9862267759486824
Energy: 0.789060211619986
Energy: 1.524909275538998
Energy: 0.7918292287967086
Energy: 0.9950116115053018
Energy: 0.7918292287958824
Energy: 1.5272766424724094
Energy: 0.79124207384649
Energy: 0.7940570288190598
Energy: 0.7912420738497952
Energy: 1.528777532815245
Energy: 0.7910385351920065
Energy: 0.7940723554115705
Energy: 0.7910385351920065
Energy: 1.5141033139905131
Energy: 0.7926110704677601
Energy: 0.7931293484069697
Energy: 0.7926110704677601

minimum gb energy = 0.7887961211954749 eV
minimum distance =  2.20687102701929 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.6828144741044575
Energy: 0.7634406736301175
Energy: 1.0791733990246997
Energy: 0.7409929032777051
Energy: 1.6534779982910035
Energy: 0.7335065082686355
Energy: 0.8984150896302505
Energy: 0.7335065082700355
Energy: 1.6519548984716812
Energy: 0.7341637409033736
Energy: 0.9067899447110344
Energy: 0.7341637409068736
Energy: 1.6507416825838976
Energy: 0.7351225216239581
Energy: 1.2136168774912242
Energy: 0.735122521621158
Energy: 1.6621823575883679
Energy: 0.7320518198137854
Energy: 1.2169718055940286
Energy: 0.7320518198081852
Energy: 1.6588042102096312
Energy: 0.7332005118496795
Energy: 1.2151437795372286
Energy: 0.7332005118545795
Energy: 1.3660731530575845
Energy: 0.7343216675035745
Energy: 1.5153747931552535
Energy: 0.7343216675021746
Energy: 1.520606216211919
Energy: 0.809251857930005
Energy: 1.2200144881152621
Energy: 0.809251857927205
Energy: 1.3647538373407226
Energy: 0.8087222758898944
Energy: 1.5090225692788977
Energy: 0.8087222758828942
Energy: 1.3629732686496463
Energy: 0.808541569275655
Energy: 1.6673044900642366
Energy: 0.8085415692742549
Energy: 1.2297266113209484
Energy: 0.7356604731475291
Energy: 1.508332048997835
Energy: 0.7356604731510292
Energy: 1.0644044752657498
Energy: 0.731870248327352
Energy: 1.6659873536276386
Energy: 0.731870248328052
Energy: 1.217098966553857
Energy: 0.7332837774126133
Energy: 1.6682302837397511
Energy: 0.7332837774119133
Energy: 0.9123544796184482
Energy: 0.734878374522149
Energy: 1.5211194896948677
Energy: 0.734878374520749
Energy: 0.8999884334902931
Energy: 0.7319313048567186
Energy: 1.6648325447449428
Energy: 0.7319313048595186
Energy: 0.9051462317494071
Energy: 0.7342338030056768
Energy: 1.666024818811414
Energy: 0.7342338030049768
Energy: 0.744289382724322
Energy: 0.7370419327170155
Energy: 1.6667348486512206
Energy: 0.7370419327198156
Energy: 0.732471534523719
Energy: 0.7324621243042524
Energy: 1.663651393595239
Energy: 0.7324621243042524
Energy: 0.7348360094022588
Energy: 0.7368353565833367
Energy: 1.6613271654859538
Energy: 0.7368353565826368
Energy: 0.9076082144109442
Energy: 0.7330933432499609
Energy: 1.651141777101573
Energy: 0.7330933432513608
Energy: 0.9058977706082888
Energy: 0.7319718704350583
Energy: 1.6641094866064627
Energy: 0.7319718704350583
Energy: 0.9102705751689613
Energy: 0.733986425414622
Energy: 1.6505808585582198
Energy: 0.733986425414622
Energy: 1.2169678948558802
Energy: 0.7343027327415013
Energy: 1.655923386197911
Energy: 0.7343027327408013
Energy: 1.220193984351944
Energy: 0.7321594912319719
Energy: 1.66577814550983
Energy: 0.7321594912305719
Energy: 1.2276878656737658
Energy: 0.7323068033990539
Energy: 1.3704207790705998
Energy: 0.7323068033990539
Energy: 1.512038540515126
Energy: 0.9898400448568951
Energy: 1.671086547884107
Energy: 0.9898400448582951
Energy: 1.2158767102698065
Energy: 0.8093777064249275
Energy: 1.5109318849811797
Energy: 0.8093777064235276
Energy: 1.5191233503940516
Energy: 0.8104545692158455
Energy: 1.3750847496092127
Energy: 0.8104545692172456
Energy: 1.5163984619326474
Energy: 0.7344051382064545
Energy: 1.5142680387482135
Energy: 0.7344051382036544
Energy: 1.5109214368687651
Energy: 0.7332742688364696
Energy: 1.2166039282111767
Energy: 0.7332742688343696
Energy: 1.6633853070286586
Energy: 0.7317958834811494
Energy: 1.064424828129764
Energy: 0.7317958834671494
Energy: 1.5191922247518361
Energy: 0.7340528684777502
Energy: 1.2146583292082642
Energy: 0.7340528684770503
Energy: 1.6659603497386104
Energy: 0.7344071720975196
Energy: 0.9030434680696182
Energy: 0.7344071720975196
Energy: 1.6660099717655266
Energy: 0.734251117079818
Energy: 0.9059018310708609
Energy: 0.7342511170756181
Energy: 1.6568910382570827
Energy: 0.738370995788562
Energy: 0.7409386109435764
Energy: 0.7383709957788255
Energy: 1.6685271776158768
Energy: 0.7364423483562131
Energy: 0.7339266935094609
Energy: 0.736442348354813
Energy: 1.6533495035214394
Energy: 0.7333692884556862
Energy: 0.7378072603026743
Energy: 0.7333692884570862

minimum gb energy = 0.7317958834671494 eV
minimum distance =  2.20475900663986 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.8568224545038021
Energy: 0.6784891618604743
Energy: 0.6689979422894988
Energy: 0.6689188935031336
Energy: 1.7432250708457613
Energy: 0.6701312192891482
Energy: 0.8184846668155497
Energy: 0.6701312192897553
Energy: 1.7402760190737427
Energy: 0.6689630976956604
Energy: 0.8210042160281912
Energy: 0.6689630976962678
Energy: 1.5423386139552064
Energy: 0.6684756940576777
Energy: 1.0920520853640558
Energy: 0.668475694058892
Energy: 1.7462936060031669
Energy: 0.666548776935219
Energy: 1.0932618679884694
Energy: 0.6665487769370405
Energy: 1.547100866789295
Energy: 0.6676083422483595
Energy: 1.0946000697261544
Energy: 0.6676083422447169
Energy: 1.5431704176465104
Energy: 0.6689288623048777
Energy: 1.3545294418349059
Energy: 0.668928862300628
Energy: 1.6130722227513252
Energy: 0.6667296496506689
Energy: 1.1533046815495216
Energy: 0.6667296496506689
Energy: 1.5450397329937768
Energy: 0.6666910310055474
Energy: 1.3561437739115991
Energy: 0.6666910310504467
Energy: 1.5453522879749668
Energy: 0.7980030027536278
Energy: 1.6103521196152109
Energy: 0.7980030027493779
Energy: 1.3553980127063834
Energy: 0.7987684192070285
Energy: 1.4159878824145224
Energy: 0.7987684192106713
Energy: 1.2855782440217098
Energy: 0.6664479785230629
Energy: 1.6109202426808935
Energy: 0.6664479785291342
Energy: 1.3555185838692818
Energy: 0.6667943565863601
Energy: 1.6735282637581563
Energy: 0.6667943565869673
Energy: 1.0928591924414466
Energy: 0.6639362812295371
Energy: 1.414020586003814
Energy: 0.66393628122893
Energy: 1.022571181863552
Energy: 0.6668345918600938
Energy: 1.6905969773795293
Energy: 0.6668345918625224
Energy: 1.093202778479882
Energy: 0.6638198781621966
Energy: 1.668931516519455
Energy: 0.6638198781603751
Energy: 0.8048404159448355
Energy: 0.6640500868938082
Energy: 1.6688504920275196
Energy: 0.6640500868901656
Energy: 0.8113089277383432
Energy: 0.6662860724712412
Energy: 1.7347950973624224
Energy: 0.666286072470634
Energy: 0.8059500786424868
Energy: 0.6688998579061783
Energy: 1.7399542208745191
Energy: 0.6688998579128567
Energy: 0.7372776359625193
Energy: 0.666797695825739
Energy: 1.7433504304353937
Energy: 0.666797695825739
Energy: 0.7365937299145957
Energy: 0.6634030952611244
Energy: 1.737986090433508
Energy: 0.663403095258696
Energy: 0.7389574248932204
Energy: 0.6653214565168805
Energy: 1.7298439361499358
Energy: 0.665321456519916
Energy: 0.8852237980865562
Energy: 0.6645676177710508
Energy: 1.7319969495849823
Energy: 0.6645676177680151
Energy: 0.8888172520404934
Energy: 0.665832665520683
Energy: 1.7342528689243801
Energy: 0.6658326655200758
Energy: 0.8850301765904758
Energy: 0.6645105812176336
Energy: 1.5424695100511996
Energy: 0.6645105812127765
Energy: 1.0833816664493747
Energy: 0.6628517600898438
Energy: 1.6819342575217244
Energy: 0.6628517600880225
Energy: 1.0886354818901431
Energy: 0.6652856417065371
Energy: 1.7426398462521098
Energy: 0.6652856417089658
Energy: 1.229899068198611
Energy: 0.6656610558139392
Energy: 1.543700559407345
Energy: 0.6656610558017969
Energy: 1.3553775683901441
Energy: 0.6652197604614787
Energy: 1.734300845134008
Energy: 0.6652197605124491
Energy: 1.3562628458963413
Energy: 0.6652046849863984
Energy: 1.5466147805710007
Energy: 0.6652046849827833
Energy: 1.6174739826336542
Energy: 0.7938025215518885
Energy: 1.2837976105511273
Energy: 0.793802521548853
Energy: 1.4153154808200807
Energy: 0.7981091635275668
Energy: 1.562510292267791
Energy: 0.798109163523924
Energy: 1.6138961993651193
Energy: 0.887720153384267
Energy: 1.2863618327558737
Energy: 0.8877201533854813
Energy: 1.7446666721219724
Energy: 0.6665873085191591
Energy: 1.2884029915469466
Energy: 0.6665873085555588
Energy: 1.4138350419955557
Energy: 0.6678775399536651
Energy: 1.0920153003808926
Energy: 0.6678775399567006
Energy: 1.7460200196771352
Energy: 0.666488384948025
Energy: 1.092469222457558
Energy: 0.6664883849455965
Energy: 1.7458410414152727
Energy: 0.6676970298385382
Energy: 1.093467509871829
Energy: 0.667697029837931
Energy: 1.6691381030636578
Energy: 0.6678358189932477
Energy: 0.818054834225319
Energy: 0.6678358189950692
Energy: 1.7468179826660022
Energy: 0.6666407948440884
Energy: 0.8149530818970026
Energy: 0.6666407948453026
Energy: 1.7426977993330155
Energy: 0.669884216397437
Energy: 0.8141474100309297
Energy: 0.6698842163998654
Energy: 1.6686805171344217
Energy: 0.6686024941227715
Energy: 0.6712065796355529
Energy: 0.6686024941251998
Energy: 1.7457096342532037
Energy: 0.6673084591932421
Energy: 0.6681189674050813
Energy: 0.6673084591950634
Energy: 1.7399928915589746
Energy: 0.670154778119598
Energy: 0.6671180414189706
Energy: 0.6701547781177766

minimum gb energy = 0.6628517600880225 eV
minimum distance =  2.201176501442 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020354072735292744
Energy: 0.022390533388880203
Energy: 1.5236791616754592
Energy: 0.586565311788496
Energy: 0.021236401642075717
Energy: 0.17650601917098707
Energy: 1.1033673469586323
Energy: 0.17650601917052036
Energy: 0.020926058053328297
Energy: 0.1739856763426632
Energy: 1.0999267069839471
Energy: 0.17398567634312995
Energy: 0.023050459547709335
Energy: 0.17416563991193507
Energy: 1.0973475764134337
Energy: 0.1741656399123499
Energy: 1.1011438894590735
Energy: 0.1742979055104958
Energy: 1.1003594990299428
Energy: 0.17429790551142924
Energy: 0.020830183897817222
Energy: 0.17374727688506522
Energy: 1.1004968834856907
Energy: 0.17374727688506522

minimum gb energy = 0.020354072735292744 eV
minimum distance =  2.45893238229632 Angstroms
sigma value = 1