Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9173715263605122
cohesive_energy=5.770453840965413
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-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: 0.018953246274253977
Energy: 0.664851583722195
Energy: 0.02071521930098243
Energy: 0.022319293939010377
Energy: 0.6648559420947462
Energy: 0.019905400435835136
Energy: 0.664851583719851
Energy: 0.11263243661300323
Energy: 0.11185565234595114
Energy: 0.11190579221425603
Energy: 0.1118705656547262
Energy: 0.11191205576430162
Energy: 0.020715219300715366
Energy: 0.11185565234675235
Energy: 0.11252312561981295
Energy: 0.020988477819796018
Energy: 0.11196468457799566
Energy: 0.1133194152502993
Energy: 0.0223192939395445
Energy: 0.11190579221321743
Energy: 0.02098847781926189
Energy: 0.019417595905086946
Energy: 0.11193789530965953
Energy: 0.01994687544763015
Energy: 0.6648559420936779
Energy: 0.11187056565526031
Energy: 0.11196468457879682
Energy: 0.11193789531019367
Energy: 0.11194606972912334
Energy: 0.11187914400246445
Energy: 0.0199054004361022
Energy: 0.11191205576587432
Energy: 0.11331941525080377
Energy: 0.019946875447125697
Energy: 0.11187914400377007
Energy: 0.020149846415636937

minimum gb energy = 0.018953246274253977 eV
minimum distance =  2.76347114261518 Angstroms
sigma value = 1


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

Energy: 2.116073361728254
Energy: 1.3652765271865743
Energy: 1.4435844138698575
Energy: 2.113002010046938
Energy: 1.9744563929045122
Energy: 2.018377231671469
Energy: 1.9550155928994202
Energy: 1.2798338890903853
Energy: 1.2758712538767893
Energy: 1.4843874162702828
Energy: 1.2774365892076573
Energy: 1.3585284388872825
Energy: 1.9632758006701783
Energy: 1.32398516141766
Energy: 1.3253129605800678
Energy: 1.964781774835346
Energy: 1.3587378154589724
Energy: 1.2956469912921873
Energy: 2.0379534171830946
Energy: 1.5976641135609941
Energy: 1.6126867756743255
Energy: 1.7951994343681161
Energy: 1.5683823599823807
Energy: 1.6109471907373376
Energy: 1.9056182696396562
Energy: 1.3387554119676428
Energy: 1.3403888557422035
Energy: 1.4580534549950033
Energy: 1.3999162358398614
Energy: 1.3317164633811645
Energy: 1.7122409445497202
Energy: 1.3092623062021442
Energy: 1.3095581138297554
Energy: 1.715767396579891
Energy: 1.4007323106610563
Energy: 1.3131088563355964
Energy: 1.7864789416999172
Energy: 1.591436492019233
Energy: 1.4034300585475772
Energy: 1.7569492729914788
Energy: 1.7909540841744018
Energy: 1.3862349223219423
Energy: 1.9086370165666977
Energy: 1.423875247261294
Energy: 1.5008830006920024
Energy: 1.7909537029632714
Energy: 1.6114532699936297
Energy: 1.4932980059911631
Energy: 1.4889519954066281
Energy: 1.3245551984735606
Energy: 1.3105310212244845
Energy: 1.4220431814021914
Energy: 1.6098797532632714
Energy: 1.2806127702184067
Energy: 1.52143645719173
Energy: 1.5218375786163023
Energy: 1.4484234079089389
Energy: 1.5242950187649742
Energy: 1.4956488146798912
Energy: 1.4346439562355546
Energy: 1.7533458942106888
Energy: 1.631492344098176
Energy: 1.6206151548166412
Energy: 1.7868542551416051
Energy: 1.638289656705126
Energy: 1.8769415640807074
Energy: 1.3150947912243793
Energy: 1.4967806975087228
Energy: 1.2931382866456371
Energy: 1.3169753653443437
Energy: 1.5498937872219996
Energy: 1.2941378991904409
Energy: 1.2758558169117507
Energy: 1.4289285439696557
Energy: 1.2077188893121245
Energy: 1.2758437183404758
Energy: 1.4242816232687143
Energy: 1.246065182226439
Energy: 1.3440057205519038
Energy: 1.74466161857864
Energy: 1.822692049527919
Energy: 1.3436438125571415
Energy: 1.7489366518580998
Energy: 1.627082101178409
Energy: 1.326221523283738
Energy: 1.4050612200658805
Energy: 1.2913208610352467
Energy: 1.3279063173885883
Energy: 1.654634431418915
Energy: 1.2916569999578795
Energy: 1.405555974506157
Energy: 1.43539179739751
Energy: 1.2941784035601231
Energy: 1.4072237440866093
Energy: 1.5760048061456131
Energy: 1.2997618204202006
Energy: 1.820526120460637
Energy: 1.4998947569232401
Energy: 1.533983830972757
Energy: 1.7318330305986869
Energy: 1.701630682831202
Energy: 1.5254948376651278
Energy: 1.58811487557975
Energy: 1.447641771425546
Energy: 1.4427605981368041
Energy: 1.5581276804868853
Energy: 1.703571157017805
Energy: 1.3306341089461744
Energy: 1.5924907621292845
Energy: 1.278989929186304
Energy: 1.2729871678857019
Energy: 1.612552974046108
Energy: 1.5557128623218734
Energy: 1.2816673814162933
Energy: 1.8592103487986185
Energy: 1.5200833741720094
Energy: 1.4453521279839754
Energy: 1.7050245700789857
Energy: 1.6133363388167192
Energy: 1.442099139161498
Energy: 2.0748457060641936
Energy: 1.7447407392639729
Energy: 1.7220063543984188
Energy: 2.069170839559741
Energy: 1.8526258620702674
Energy: 1.6187595541726831
Energy: 1.8207091270423854
Energy: 1.3436156672382276
Energy: 1.3362011771699984
Energy: 1.8235283564101552
Energy: 1.3701648584673014
Energy: 1.3057584473978483
Energy: 1.9095983637447234
Energy: 1.3150297006885818
Energy: 1.3167213317341286
Energy: 1.6876535633005223
Energy: 1.3483106957226099
Energy: 1.3946475041808786

minimum gb energy = 1.2077188893121245 eV
minimum distance =  2.48434305350253 Angstroms
sigma value = 33


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

Energy: 2.388877081310835
Energy: 1.9394644667009722
Energy: 1.7726852349547695
Energy: 2.296437103260467
Energy: 1.941391984943457
Energy: 1.8205700404049312
Energy: 1.987958705576363
Energy: 1.3010781101173994
Energy: 1.275615132506214
Energy: 1.8152563004480176
Energy: 1.2344642539744055
Energy: 1.422373439964873
Energy: 1.8311668113379156
Energy: 1.2845714290754922
Energy: 1.2743748347740735
Energy: 1.829718602985077
Energy: 1.2753016279893477
Energy: 1.2634707389394926
Energy: 1.9439009629826096
Energy: 1.3716392814952632
Energy: 1.43427935998603
Energy: 1.6901471071645064
Energy: 1.4350418437784875
Energy: 1.4438639268242552
Energy: 1.9379637712784692
Energy: 1.393972219505026
Energy: 1.4070853937466257
Energy: 1.9542193202578675
Energy: 1.3921462482730007
Energy: 1.410862644595929
Energy: 1.8280162588359972
Energy: 1.4995023349966305
Energy: 1.393012726806602
Energy: 1.828576321377994
Energy: 1.4951741542969827
Energy: 1.3580402471070847
Energy: 1.7901547919538783
Energy: 1.7006805788677832
Energy: 1.5142793631373643
Energy: 1.7868586141893839
Energy: 1.7395265410002536
Energy: 1.536967551308459
Energy: 1.8629138035589212
Energy: 1.3872985393608002
Energy: 1.3687494782176564
Energy: 1.599088939246716
Energy: 1.5150173446276494
Energy: 1.361343264640072
Energy: 1.411577255208127
Energy: 1.4105969431731482
Energy: 1.3620091436513666
Energy: 1.4158372194338642
Energy: 1.4748373417267604
Energy: 1.3493949902893285
Energy: 1.4840256424602116
Energy: 1.5256967334056875
Energy: 1.5045539254889013
Energy: 1.485250607380986
Energy: 1.5418195650645043
Energy: 1.4378205017863817
Energy: 1.680261295718265
Energy: 1.7651192324286495
Energy: 1.764848082094776
Energy: 1.6772268028724484
Energy: 1.7654907980448065
Energy: 1.772268768078449
Energy: 1.392808568803566
Energy: 1.536378341951948
Energy: 1.3956043987736313
Energy: 1.282922967242182
Energy: 1.9682855037314662
Energy: 1.361438587173784
Energy: 1.2931584449928297
Energy: 1.3858949263130669
Energy: 1.3856018003232775
Energy: 1.2915934696539375
Energy: 1.5230941901303294
Energy: 1.3119996364468283
Energy: 1.6385184824889865
Energy: 1.6097729530382647
Energy: 1.601929624762032
Energy: 1.5532357476123524
Energy: 1.6880348796975522
Energy: 1.4398489866568387
Energy: 1.4644066394922177
Energy: 1.3940119017962718
Energy: 1.4043925299349538
Energy: 1.4549953883349727
Energy: 1.7925677291963313
Energy: 1.4070427127309646
Energy: 1.5310267971037959
Energy: 1.5758099414201894
Energy: 1.4284679236850155
Energy: 1.5093959418533847
Energy: 1.7706058649472416
Energy: 1.3768466298896669
Energy: 1.8541807729407014
Energy: 1.542531166403188
Energy: 1.5524616815146426
Energy: 1.8432894097049
Energy: 1.5595941838994414
Energy: 1.5014374306163172
Energy: 1.5145307193889246
Energy: 1.5881978911573014
Energy: 1.585899692763491
Energy: 1.514938513948982
Energy: 1.5835602557409527
Energy: 1.3698047078471975
Energy: 1.6468831780837017
Energy: 1.352652041768285
Energy: 1.3324860483835643
Energy: 1.6504500951245418
Energy: 1.4828234544890426
Energy: 1.3519009447387078
Energy: 1.9940653125822374
Energy: 1.4169002982931727
Energy: 1.4448125116587218
Energy: 1.7551921955656002
Energy: 1.487633178356786
Energy: 1.452532705933828
Energy: 2.313432293997816
Energy: 1.6783775933212222
Energy: 1.6615163491364904
Energy: 2.3066511449767106
Energy: 1.678475638921995
Energy: 1.7654541178836038
Energy: 1.9655715918790342
Energy: 1.281217414561447
Energy: 1.3143025435369775
Energy: 1.9677297539713823
Energy: 1.3881014894380026
Energy: 1.3958260369925264
Energy: 1.9981682980616275
Energy: 1.290484802024188
Energy: 1.3081476214489265
Energy: 1.7864713041119087
Energy: 1.2936372974000032
Energy: 1.2786584218088703
Energy: 1.9399737248156317
Energy: 1.601491479938706
Energy: 1.6016860805506332
Energy: 1.9359890593536064
Energy: 1.5786176658745836
Energy: 1.6538334303888835
Energy: 1.990279376461439
Energy: 1.3959736275345083
Energy: 1.393338301117372
Energy: 1.924018551455094
Energy: 1.4055770666257903
Energy: 1.3953346731843153
Energy: 1.8308256510335417
Energy: 1.3566338560923648
Energy: 1.3710365670899507
Energy: 1.8261882205936872
Energy: 1.4538224970065081
Energy: 1.3709745653118934
Energy: 1.7507194494557377
Energy: 1.7250201199366875
Energy: 1.5031090177892938
Energy: 1.7465659768720319
Energy: 1.7957451110321252
Energy: 1.6313290848225366
Energy: 1.8523813758077359
Energy: 1.3737321437371044
Energy: 1.4626496242219373
Energy: 1.6344612290491374
Energy: 1.5167298713140076
Energy: 1.473978141502949
Energy: 1.481755435914538
Energy: 1.3590601710753545
Energy: 1.4172045510626512
Energy: 1.4776903404351294
Energy: 1.5845332677900776
Energy: 1.3844998840500986
Energy: 1.409242477806793
Energy: 1.5455352325542788
Energy: 1.559124374617132
Energy: 1.4094999575363258
Energy: 1.5326191641754219
Energy: 1.3649486890968199
Energy: 1.6788376446931101
Energy: 1.6751279717214869
Energy: 1.6834671920662347
Energy: 1.6783455412049297
Energy: 1.5074529134250816
Energy: 1.5487553930295948
Energy: 1.39722651795728
Energy: 1.533825510654567
Energy: 1.3678793353327852
Energy: 1.3880304630308256
Energy: 1.9707089487323988
Energy: 1.3959075901125224
Energy: 1.290069137390062
Energy: 1.4039068304253446
Energy: 1.3816590870519283
Energy: 1.290671523700271
Energy: 1.5470342605657783
Energy: 1.3135175854806995
Energy: 1.2873559377446664
Energy: 1.6083352962315594
Energy: 1.6004513117822077
Energy: 1.2862294191125296
Energy: 1.6877256909259863
Energy: 1.4270382332274445
Energy: 1.4633424686528482
Energy: 1.402882175508203
Energy: 1.407003537759946
Energy: 1.4482928658359016
Energy: 1.5482182478421744
Energy: 1.396239026880483
Energy: 1.5099232611568216
Energy: 1.5842976886667748
Energy: 1.3652866254766627
Energy: 1.5018781464591975
Energy: 1.7794295444533677
Energy: 1.3647446854308123
Energy: 1.8493039576469374
Energy: 1.638618187278283
Energy: 1.6291801682011025
Energy: 1.8317247340072131
Energy: 1.6278754644909865
Energy: 1.6334439643394238
Energy: 1.6342898423335979
Energy: 1.5952513956918384
Energy: 1.5401289452325277
Energy: 1.6309205275174956
Energy: 1.562111462052054
Energy: 1.5643075126744577
Energy: 1.5866492703658324
Energy: 1.335316083349775
Energy: 1.314904133017593
Energy: 1.5870533505174735
Energy: 1.3314463795718614
Energy: 1.434570662940355
Energy: 2.007245748962705
Energy: 1.342285864475441
Energy: 1.336594479187121
Energy: 1.5212406107163368
Energy: 1.3936948644352316
Energy: 1.4862999313043896
Energy: 1.974052193053899
Energy: 1.5093426149292253
Energy: 1.4233300106689115
Energy: 1.8859469483163147
Energy: 1.4852613319377315
Energy: 1.3657216571572541

minimum gb energy = 1.2344642539744055 eV
minimum distance =  2.48243074856627 Angstroms
sigma value = 51


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

Energy: 2.129811713367296
Energy: 1.3985744106224811
Energy: 2.073732077811284
Energy: 2.124017125757743
Energy: 1.4520380198156313
Energy: 1.7619301452592058
Energy: 1.94549666364053
Energy: 1.2594456550091016
Energy: 1.2596856776403602
Energy: 1.8480441982588662
Energy: 1.258700180418213
Energy: 1.3815389485441407
Energy: 1.880036181655565
Energy: 1.2531804863181022
Energy: 1.2528136032674633
Energy: 1.8566143464595415
Energy: 1.253368683659785
Energy: 1.1951042694127192
Energy: 1.8804883859218073
Energy: 1.7080733760880966
Energy: 1.5556535262063345
Energy: 1.756061199994822
Energy: 1.6401001659351937
Energy: 1.5942151591713645
Energy: 1.878785388456637
Energy: 1.4627947936314671
Energy: 1.4688852816789262
Energy: 1.8784700810911237
Energy: 1.5541036343959203
Energy: 1.4709730839976236
Energy: 1.6113658887635747
Energy: 1.4752394709960457
Energy: 1.4163209562823154
Energy: 1.6138162559925857
Energy: 1.5622947326269094
Energy: 1.3310826574318275
Energy: 1.6194569403408139
Energy: 1.595625242345411
Energy: 1.438317750080114
Energy: 1.6219408053173607
Energy: 1.5889555178762307
Energy: 1.4967222677604435
Energy: 1.7996237410805132
Energy: 1.7144586891518516
Energy: 1.659941183340119
Energy: 1.7997476603331375
Energy: 1.7953314342860898
Energy: 1.6469142927148708
Energy: 1.3111704532204373
Energy: 1.6903929601465049
Energy: 1.5405823797449443
Energy: 1.3119287324480062
Energy: 1.7784311808586712
Energy: 1.2534596637751438
Energy: 1.2594406158630118
Energy: 1.4664995704935289
Energy: 1.3228835876611953
Energy: 1.259855797934528
Energy: 1.6534910015564093
Energy: 1.261162230439541
Energy: 1.2607180944666438
Energy: 1.8993464742904687
Energy: 1.8891267534279854
Energy: 1.260312311494185
Energy: 1.8903553830449737
Energy: 1.906951410671777
Energy: 1.3660668460111183
Energy: 1.4522424331781605
Energy: 1.3385823993183505
Energy: 1.365776518076065
Energy: 1.6059535357213852
Energy: 1.338422355600678
Energy: 1.364027228233579
Energy: 1.4794503325771315
Energy: 1.2208642799957505
Energy: 1.3662023841723518
Energy: 1.719939876075581
Energy: 1.280428080200962
Energy: 1.8128356108555963
Energy: 1.5773740240491485
Energy: 1.578223458661979
Energy: 1.454609577361409
Energy: 1.6303558968473697
Energy: 1.5718803684867415
Energy: 1.7807798139987596
Energy: 1.6779454243038197
Energy: 1.6135937257447164
Energy: 1.7188994613966295
Energy: 1.72428853792447
Energy: 1.615604296189327
Energy: 1.672518530289233
Energy: 1.405006583599448
Energy: 1.3189879866722773
Energy: 1.671640512149442
Energy: 1.493095616808295
Energy: 1.4223766307840657
Energy: 1.9092556940262695
Energy: 1.3131317713712563
Energy: 1.2862264774309873
Energy: 1.8097050016984122
Energy: 1.3455449064312717
Energy: 1.3761299632258959
Energy: 2.0110652402887985
Energy: 1.4699740635872174
Energy: 1.3833210038806774
Energy: 2.011512203693126
Energy: 1.4691237407199056
Energy: 1.2803453395052071

minimum gb energy = 1.1951042694127192 eV
minimum distance =  2.51088076540332 Angstroms
sigma value = 19


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

Energy: 1.7397375371001909
Energy: 2.0882430596763175
Energy: 1.4541818230833599
Energy: 1.7393174835801926
Energy: 2.0881893576881314
Energy: 1.4561127988855147
Energy: 1.8104236119143124
Energy: 1.1344812290684776
Energy: 1.1344350330620132
Energy: 1.6870725482674696
Energy: 1.1730622871003193
Energy: 1.3130585932555243
Energy: 1.7948891918031278
Energy: 1.1613176055103018
Energy: 1.1618914064168837
Energy: 1.6752884839829414
Energy: 1.1614374994408896
Energy: 1.3662808294716775
Energy: 1.4257088810686809
Energy: 1.2499702410116347
Energy: 1.4350786376205875
Energy: 1.4262444777390433
Energy: 1.3512516243917716
Energy: 1.36695536125157
Energy: 1.8380146698805182
Energy: 1.3540580439791858
Energy: 1.353811911500643
Energy: 1.662709129427077
Energy: 1.3538234814965988
Energy: 1.3536668424414207
Energy: 1.4307553233361994
Energy: 1.1836622041746478
Energy: 1.3858775205943712
Energy: 1.4351045517896346
Energy: 1.1848995613666446
Energy: 1.4767430230869742
Energy: 1.4412436248351226
Energy: 1.6981761042854144
Energy: 1.4905189655169284
Energy: 1.4433470106449189
Energy: 1.7650846376304583
Energy: 1.4903382697571363
Energy: 1.573944378432378
Energy: 1.4548355416924827
Energy: 1.4545411185829735
Energy: 1.5738825390208762
Energy: 1.7422665908589057
Energy: 1.3650857418967748
Energy: 1.1727294636722059
Energy: 1.4877464007590957
Energy: 1.4843329146237982
Energy: 1.1728830121387754
Energy: 1.7521140367171681
Energy: 1.3100258164041476
Energy: 1.1620186243318407
Energy: 1.1638892380171137
Energy: 1.161703313170313
Energy: 1.1636173183347762
Energy: 1.662257368180499
Energy: 1.161801028475925
Energy: 1.3068482255710838
Energy: 1.4324579185017308
Energy: 1.2986442103425084
Energy: 1.2484543410536597
Energy: 1.4275867148471708
Energy: 1.434777564826632
Energy: 1.4737098145369536
Energy: 1.354000369088446
Energy: 1.366764334183782
Energy: 1.354287591952379
Energy: 1.6621440778616754
Energy: 1.3668210909678578
Energy: 1.1075146358228343
Energy: 1.3866997522462206
Energy: 1.300285498748151
Energy: 1.1107192953804434
Energy: 1.5073223101779445
Energy: 1.3009157350749623
Energy: 1.8096365251086415
Energy: 1.302223158801359
Energy: 1.3005870670108304
Energy: 1.6897416841352582
Energy: 1.4357224466734897
Energy: 1.300186982606352
Energy: 1.74381233009121
Energy: 1.5737413203856538
Energy: 1.3770732855264634
Energy: 1.7479262962337094
Energy: 1.5737685874292637
Energy: 1.3096372979468682
Energy: 1.740902723367196
Energy: 1.2596748989965292
Energy: 1.3658572273842886
Energy: 1.7413775559591615
Energy: 1.2595698510686195
Energy: 1.4544924476721381
Energy: 1.7787383106143742
Energy: 1.1346667612689598
Energy: 1.134425621610672
Energy: 1.6864509997381578
Energy: 1.1619556533138984
Energy: 1.3134132105083294
Energy: 1.6626104743237886
Energy: 1.1624697949794107
Energy: 1.1617670821376096
Energy: 1.6642418638380752
Energy: 1.1620173300075867
Energy: 1.3664811688008478
Energy: 1.4620632834822838
Energy: 1.3669449050222535
Energy: 1.36731986650061
Energy: 1.46263742945965
Energy: 1.3667009381895698
Energy: 1.367595319285736
Energy: 1.5046642826670842
Energy: 1.1075763579769253
Energy: 1.3216920169918693
Energy: 1.505928292055781
Energy: 1.1073986497574444
Energy: 1.3209721813030455
Energy: 1.4307766080160675
Energy: 1.3859669827222239
Energy: 1.3854634891650566
Energy: 1.431984060930095
Energy: 1.386024846303726
Energy: 1.3003239879205117
Energy: 1.4400015345340302
Energy: 1.4923880389925994
Energy: 1.493662520473868
Energy: 1.4411599355330071
Energy: 1.7417448572589547
Energy: 1.4913130389774396
Energy: 1.4962772193055291
Energy: 1.4538838948406572
Energy: 1.4539756900465337
Energy: 1.3125125424208837
Energy: 1.740480878531653
Energy: 1.454225802340513
Energy: 1.1751101616635165
Energy: 1.4960999726005362
Energy: 1.3132305494331455
Energy: 1.1729928282391735
Energy: 1.778939120814551
Energy: 1.31305019253952
Energy: 1.224228177858769
Energy: 1.3678654578290594
Energy: 1.366214206127955
Energy: 1.161419861769811
Energy: 1.3779086703170331
Energy: 1.161955375239974
Energy: 1.3127416935959566
Energy: 1.4272761944609842
Energy: 1.4025504254798262
Energy: 1.303420824883828
Energy: 1.4285799076850003
Energy: 1.381918747989697
Energy: 1.4735147631512184
Energy: 1.3538424024444489
Energy: 1.353882318411715
Energy: 1.355474831284627
Energy: 1.6624691563049916
Energy: 1.3537458421940451
Energy: 1.1842057907124466
Energy: 1.3000783824563347
Energy: 1.3002563604815456
Energy: 1.185653237712804
Energy: 1.3014353376590724
Energy: 1.3857216430618484
Energy: 1.8082141778624015
Energy: 1.3002354692563827
Energy: 1.300210605037752
Energy: 1.6890368377226452
Energy: 1.4343051823541002
Energy: 1.300253918325446
Energy: 1.7411034842532922
Energy: 1.3927326957235575
Energy: 1.365205080717264
Energy: 1.7412672687701103
Energy: 1.574218820502314
Energy: 1.4543830312125146

minimum gb energy = 1.1073986497574444 eV
minimum distance =  2.48449536484605 Angstroms
sigma value = 27


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

Energy: 1.4752730130347478
Energy: 1.919850889610338
Energy: 1.7964609917682972
Energy: 1.4769820875524073
Energy: 1.9188207113702955
Energy: 1.7939056901961496
Energy: 1.981316765613433
Energy: 1.2675748520720649
Energy: 1.3591311883130106
Energy: 1.7649975907049225
Energy: 1.2690409779654444
Energy: 1.359379640825179
Energy: 1.9390110937598841
Energy: 1.1691999706803662
Energy: 1.1673030067351902
Energy: 1.4462728303877972
Energy: 1.1725993399793775
Energy: 1.1674877574331504
Energy: 2.0134801593309497
Energy: 1.56899614817031
Energy: 1.6163230962084618
Energy: 1.4470787586288996
Energy: 1.211064530548484
Energy: 1.4036202876002088
Energy: 1.5532039200154941
Energy: 1.4325155803256675
Energy: 1.394507519384734
Energy: 1.3294041399544594
Energy: 1.614281204663917
Energy: 1.4009437540163188
Energy: 1.2074460828619273
Energy: 1.3391396661474038
Energy: 1.3381248565913
Energy: 1.2073339837383408
Energy: 1.4873436347319893
Energy: 1.4392868283107147
Energy: 1.2577875985395994
Energy: 1.289392877000644
Energy: 1.277014463289334
Energy: 1.259154059769116
Energy: 1.3242882988911986
Energy: 1.3045643449937263
Energy: 1.291488104258199
Energy: 1.5685518192553245
Energy: 1.5724291712051481
Energy: 1.2913465892026341
Energy: 1.652278820170712
Energy: 1.5894411144869107
Energy: 1.5349358061869067
Energy: 1.4491496142017222
Energy: 1.5283191531925786
Energy: 1.2935837939197623
Energy: 1.549050853309895
Energy: 1.2927858070738418
Energy: 1.1585150727142515
Energy: 1.3240713137525
Energy: 1.2992837144732283
Energy: 1.2802873503521075
Energy: 1.3138056391954216
Energy: 1.2323185664863074
Energy: 1.4946377346482154
Energy: 1.2311487454255203
Energy: 1.2341151704760147
Energy: 1.408164621235303
Energy: 1.3008609831747058
Energy: 1.2309391587614187
Energy: 1.915820275238443
Energy: 1.2712141977460607
Energy: 1.46259183768624
Energy: 1.7688924530183026
Energy: 1.5274731106872392
Energy: 1.5170371789460306

minimum gb energy = 1.1585150727142515 eV
minimum distance =  2.52979028485561 Angstroms
sigma value = 9


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

Energy: 2.2387777685598262
Energy: 2.053070636329217
Energy: 1.4744784921070915
Energy: 2.211498450060747
Energy: 2.245003830806251
Energy: 1.682692357773494
Energy: 1.5099339066322912
Energy: 1.1529021183394026
Energy: 1.242444318901813
Energy: 1.3882580116269867
Energy: 1.1542193142099293
Energy: 1.1351601991197044
Energy: 1.5182758589052618
Energy: 1.0377495299045878
Energy: 1.0301373525657067
Energy: 1.274247048001166
Energy: 1.0345282282424737
Energy: 1.1684487680828235
Energy: 1.4575087187040696
Energy: 1.2210794706706805
Energy: 1.2599986604018771
Energy: 1.461084212658311
Energy: 1.2351517788515696
Energy: 1.2549021885306948
Energy: 1.6118496583014825
Energy: 1.3876820410831547
Energy: 1.3753654291947184
Energy: 1.4233401203632365
Energy: 1.407293969996027
Energy: 1.3740216970121264
Energy: 1.1782886975043778
Energy: 1.398061779765313
Energy: 1.5380084917970607
Energy: 1.1782212237688914
Energy: 1.3927712983464184
Energy: 1.4030326928155707
Energy: 1.1810869615920023
Energy: 1.3350326628404887
Energy: 1.2505175142562748
Energy: 1.1837511987363036
Energy: 1.5764478569303035
Energy: 1.252575885841346
Energy: 1.1418227582622884
Energy: 1.2676487109422152
Energy: 1.432802796085082
Energy: 1.1427364644147182
Energy: 1.306603968125324
Energy: 1.2864701609383609
Energy: 1.627929381514412
Energy: 1.3318355622653728
Energy: 1.327879521657123
Energy: 1.5821287457018374
Energy: 1.3449647933150657
Energy: 1.3187092063086354
Energy: 1.7025504414421444
Energy: 1.238301492600916
Energy: 1.3240634115707168
Energy: 1.7044536642547319
Energy: 1.424661257343707
Energy: 1.4012215517239446
Energy: 1.7176089160431305
Energy: 1.0964606016098564
Energy: 1.0962678611410552
Energy: 1.4681046625262084
Energy: 1.1008753109736409
Energy: 1.1455438568107446
Energy: 1.6938846248036223
Energy: 1.135494706920147
Energy: 1.1455754986954496
Energy: 1.383135207838155
Energy: 1.1357624546476686
Energy: 1.161220592297744
Energy: 1.9693358976011361
Energy: 1.3870921620146408
Energy: 1.3744183871833315
Energy: 1.958457716365327
Energy: 1.7830339660054146
Energy: 1.5365659356911752
Energy: 1.5886537638727307
Energy: 1.3350878089480704
Energy: 1.3308219919884041
Energy: 1.340001946149155
Energy: 1.5515583593020013
Energy: 1.314863425404074
Energy: 1.2530259028149906
Energy: 1.130439362136995
Energy: 1.1360365231214204
Energy: 1.254506431242368
Energy: 1.2102278182759443
Energy: 1.3074152648949882
Energy: 1.0992395657603447
Energy: 1.2351349251211712
Energy: 1.1531586814858599
Energy: 1.0342149731192671
Energy: 1.1324113432509355
Energy: 1.0893820721401877
Energy: 1.1527239710977397
Energy: 1.4027296655261625
Energy: 1.402440141286638
Energy: 1.1536330623771178
Energy: 1.4486465479982675
Energy: 1.3575053182388137
Energy: 1.4734269409357488
Energy: 1.5428909851571169
Energy: 1.5702969568930227
Energy: 1.3848810862666425
Energy: 1.5346713693717777
Energy: 1.5078219684846161
Energy: 1.3160882498750068
Energy: 1.1540692778947896
Energy: 1.2381809783371591
Energy: 1.2800692695413343
Energy: 1.2059930505389722
Energy: 1.2745826213033713
Energy: 1.1261749116372861
Energy: 1.14265589380388
Energy: 1.2070708814342155
Energy: 1.1281760101526874
Energy: 1.130315026208174
Energy: 1.2553597489359667
Energy: 1.3144586346071692
Energy: 1.206600478178206
Energy: 1.2793069808135653
Energy: 1.2564010616434995
Energy: 1.2880174535906501
Energy: 1.3909004001732845
Energy: 2.236152860516794
Energy: 1.3951739927258402
Energy: 1.3704836402463707
Energy: 1.6793655141704216
Energy: 1.3808806552733275
Energy: 1.6852727811259842
Energy: 2.2381893648246844
Energy: 1.1523224019123215
Energy: 1.3437884517575684
Energy: 1.5059450186146084
Energy: 1.151598821518072
Energy: 1.3311659979116144
Energy: 1.5104561963448566
Energy: 1.0301529924459514
Energy: 1.03647378178979
Energy: 1.4109126258011544
Energy: 1.0779434607999743
Energy: 1.1177874196058182
Energy: 1.453602455242725
Energy: 1.2026726855121703
Energy: 1.3525695836917562
Energy: 1.4588221258234149
Energy: 1.148042487899275
Energy: 1.291096936180782
Energy: 1.5530165284754558
Energy: 1.454766244838171
Energy: 1.4215245372654153
Energy: 1.5543849107024255
Energy: 1.5334200005606793
Energy: 1.3940709226228765
Energy: 1.4106512609996085
Energy: 1.394797693548928
Energy: 1.3889350108650222
Energy: 1.39603387109047
Energy: 1.6987238708702288
Energy: 1.7352101261003072
Energy: 1.1478427227273893
Energy: 1.359041261816464
Energy: 1.3033406716031035
Energy: 1.1496628733657326
Energy: 1.3995624755853977
Energy: 1.145815521976757
Energy: 1.139232301838658
Energy: 1.3624455208213704
Energy: 1.3472463271805348
Energy: 1.1382129182334368
Energy: 1.401295783026908
Energy: 1.1890087547542585
Energy: 1.5036164698932817
Energy: 1.2686257402104926
Energy: 1.4320145465491683
Energy: 1.4358920792704735
Energy: 1.3061596795020338
Energy: 1.3751829706345764
Energy: 1.782750544041347
Energy: 1.2426253157397096
Energy: 1.3442098666542714
Energy: 1.5430334431224406
Energy: 1.4808479309973879
Energy: 1.327624755790839
Energy: 1.6986607745267466
Energy: 1.1997548698523617
Energy: 1.253393165918642
Energy: 1.7116116572917488
Energy: 1.199431260300959
Energy: 1.4253476424557483
Energy: 1.7292632846052005
Energy: 1.1767914170297478
Energy: 1.1770893337231765
Energy: 1.3461067261259358
Energy: 1.2170537216351502
Energy: 1.2771058293697588
Energy: 1.9689855083522467
Energy: 1.1406415166923503
Energy: 1.1419901724019357
Energy: 1.9591469175511702
Energy: 1.1483634717461861
Energy: 1.5601488594781117
Energy: 2.0238413123433925
Energy: 1.3413051492250725
Energy: 1.4660999671087085
Energy: 1.3676735640593634
Energy: 1.2736913256993427
Energy: 1.4685696890138564
Energy: 1.317295646934814
Energy: 1.1395135552947588
Energy: 1.1949113225537624
Energy: 1.3131320660216121
Energy: 1.2168020698766602
Energy: 1.2259460945193887
Energy: 1.0480379046226118
Energy: 1.2417861832925663
Energy: 1.2555621258729524
Energy: 1.0499137211100487
Energy: 1.211942009138334
Energy: 1.1036993004790736
Energy: 1.161041548922445
Energy: 1.3643227889277754
Energy: 1.3390374279615047
Energy: 1.1632472164670913
Energy: 1.3470172624452657
Energy: 1.2997825859139431
Energy: 1.5193365390102826
Energy: 1.5398644862762345
Energy: 1.539210165157002
Energy: 1.7164390255205673
Energy: 1.9521359869702886
Energy: 1.9026555597752917
Energy: 1.3481391456772316
Energy: 1.5148450136054892
Energy: 1.3105859997514375
Energy: 1.3455391547831188
Energy: 1.5291434022053167
Energy: 1.3124568109097927
Energy: 1.1250966980404957
Energy: 1.1425726765724507
Energy: 1.235966670789248
Energy: 1.1270164892989507
Energy: 1.0911190760152318
Energy: 1.180550451065306
Energy: 1.2237720374128223
Energy: 1.0794265955404168
Energy: 1.085810135045458
Energy: 1.1236196079218652
Energy: 1.1150089123483669
Energy: 1.1387572002078865
Energy: 2.21686876979697
Energy: 1.3513537840552725
Energy: 1.3591870064030187
Energy: 1.5143765035051433
Energy: 1.3657384660640801
Energy: 1.3105273609270145

minimum gb energy = 1.0301373525657067 eV
minimum distance =  2.56835437819777 Angstroms
sigma value = 57


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

Energy: 0.5233795949129517
Energy: 1.6216397067097483
Energy: 0.5347549739077863
Energy: 0.5273611152507757
Energy: 1.622408229641642
Energy: 0.5240121568419377
Energy: 0.6244960202867298
Energy: 0.7010738767213284
Energy: 0.7019561698609769
Energy: 0.5710395262334109
Energy: 0.5718404719946216
Energy: 0.7018214652467795
Energy: 0.6253399046542559
Energy: 0.716977518460144
Energy: 0.7171638976094188
Energy: 0.6269825426098936
Energy: 0.5709089136161716
Energy: 0.7171011072053625
Energy: 0.623928139619514
Energy: 0.7388731912324781
Energy: 0.7387504922819691
Energy: 0.6282515069489494
Energy: 0.6256293771018481
Energy: 0.7390329944895723
Energy: 0.6241516372127205
Energy: 0.5242634580438823
Energy: 0.5244645112570581
Energy: 0.6250408936636868
Energy: 0.5242041305955809
Energy: 0.7028648132190528
Energy: 0.5714007477198314
Energy: 0.5241826021002474
Energy: 0.5241600872002556
Energy: 0.5716645356422556
Energy: 0.5241326209656685
Energy: 0.5584851433560809
Energy: 0.5697170213387623
Energy: 0.7010711448123167
Energy: 0.7008025660684271
Energy: 0.5705704185991819
Energy: 0.7400270807966758
Energy: 0.7026304305499296
Energy: 0.5719982371998577
Energy: 0.7399181212227557
Energy: 0.7401549237376261
Energy: 1.2784329692042253
Energy: 0.6279957313801166
Energy: 0.7399001177635399
Energy: 0.6246728395555233
Energy: 0.7392782745902964
Energy: 0.717723255666729
Energy: 0.6247709923559855
Energy: 0.6268437368509336
Energy: 0.7172637925600537
Energy: 0.5329595125999106
Energy: 0.7171891263878942
Energy: 0.690472271100616
Energy: 0.5242726564834552
Energy: 0.6291780525609172
Energy: 0.6833015253389894
Energy: 0.5240283006370255
Energy: 0.6904774606395082
Energy: 0.6919030873613325
Energy: 0.524108222544186
Energy: 0.5714690459665512
Energy: 0.5596029915824875
Energy: 0.6256042373327693
Energy: 0.7192686026109739
Energy: 0.7193618977294606
Energy: 0.6261462860925003
Energy: 0.5724673733771887
Energy: 0.7170873150749039
Energy: 1.7801189234092574
Energy: 1.3877513675973945
Energy: 1.3892761190825453
Energy: 1.7903700938009055
Energy: 1.2375733983044208
Energy: 1.393498205299051
Energy: 0.6249269243303227
Energy: 0.7186452162525512
Energy: 0.7187995693229999
Energy: 0.6249907161594851
Energy: 0.5716997930063279
Energy: 0.7195163275150339
Energy: 0.6254941403910129
Energy: 0.5240011266777767
Energy: 0.5240146583183423
Energy: 0.6253613562314402
Energy: 0.5281127017688062
Energy: 0.6905303187372371
Energy: 0.5716546905842763
Energy: 0.5723557357939104
Energy: 0.7023794081186703
Energy: 0.5720815078604468
Energy: 0.5243042658838264
Energy: 0.7019878244531015
Energy: 0.571737720166017
Energy: 0.7173902454282062
Energy: 0.7171239814827708
Energy: 0.5713952468082012
Energy: 0.6266724611223266
Energy: 0.7169859821895145
Energy: 0.6253886287925542
Energy: 0.7395053456080525
Energy: 0.7393868834137122
Energy: 0.6256005570200714
Energy: 0.6279910925030605
Energy: 0.7394021368302119
Energy: 0.5241670869433915
Energy: 0.7404293959388506
Energy: 0.701490166041966
Energy: 0.5242345961269305
Energy: 0.6248989190256202
Energy: 0.7029663751637978

minimum gb energy = 0.5233795949129517 eV
minimum distance =  2.62250166229084 Angstroms
sigma value = 11


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

Energy: 1.7781258529149346
Energy: 2.0005829382533755
Energy: 1.523687320800566
Energy: 1.7814607898375479
Energy: 2.1010589572721834
Energy: 1.638286778551415
Energy: 1.0659981578729856
Energy: 0.9475852291149276
Energy: 0.9736702543339288
Energy: 1.0101241501280067
Energy: 0.9058553653610653
Energy: 0.9829372999007514
Energy: 0.926264191438972
Energy: 0.9463150756716295
Energy: 0.9906848914811642
Energy: 0.9247980896931344
Energy: 0.9545919252161996
Energy: 1.0314228847314006
Energy: 0.9494186046442249
Energy: 0.9905858857584002
Energy: 1.0213125074810008
Energy: 0.9516318500732671
Energy: 0.9088777138197316
Energy: 1.0079798233241721
Energy: 1.1681735316893909
Energy: 1.4079103944195193
Energy: 1.3875476424807365
Energy: 1.1151589891205302
Energy: 1.4239934799364609
Energy: 1.154760583062759
Energy: 1.2901364607722756
Energy: 1.5827912722202104
Energy: 1.5608869109226198
Energy: 1.3929570867299919
Energy: 1.5810580056388033
Energy: 1.6779212225520055
Energy: 1.1649666473609852
Energy: 1.179847825880404
Energy: 1.0810522891444334
Energy: 0.956063402684222
Energy: 1.1803282637923964
Energy: 0.9389018889152839
Energy: 1.0361575856435228
Energy: 1.0083386601391096
Energy: 1.0634535100322369
Energy: 1.039113856601048
Energy: 0.947887918213373
Energy: 1.139360855700766
Energy: 1.487138034976159
Energy: 0.9746197551439593
Energy: 1.0172663259434134
Energy: 1.174024331541751
Energy: 0.9714650581399207
Energy: 1.0097679345989865
Energy: 1.562303024527825
Energy: 1.5359375372867943
Energy: 1.4237859825978998
Energy: 1.5654680154321545
Energy: 1.5428886610201362
Energy: 1.5156973842519728
Energy: 1.9497722932412076
Energy: 1.5336802948107324
Energy: 1.383667338856881
Energy: 1.522051169545574
Energy: 1.7205525803375958
Energy: 1.458557478004727
Energy: 1.3233918674899907
Energy: 1.1915390811181172
Energy: 1.2552251829679515
Energy: 1.3241056726430822
Energy: 1.2416033610229313
Energy: 1.2980955722097325
Energy: 1.1263542987595352
Energy: 1.18551163007806
Energy: 1.190882818313697
Energy: 1.106033988515018
Energy: 1.2368797417439072
Energy: 1.1677020125144166
Energy: 1.140687346184344
Energy: 1.146430035100379
Energy: 1.1261770258539459
Energy: 1.1409467518469827
Energy: 1.4891653148290294
Energy: 1.0659123929224827
Energy: 1.398157436420714
Energy: 1.400398235451286
Energy: 1.3106728127586826
Energy: 1.3987977790421031
Energy: 1.3877676701892574
Energy: 1.5211973199920232
Energy: 1.59508659787774
Energy: 1.3480525124524787
Energy: 1.3449211115922688
Energy: 1.591797212212333
Energy: 1.3998514603064844
Energy: 1.3940159467555682
Energy: 1.3527290724101904
Energy: 1.4569213058740624
Energy: 1.3869436161815534
Energy: 1.355431113089897
Energy: 1.4356754487873233
Energy: 1.4465485841869112
Energy: 1.7987682778871739
Energy: 1.2371839670830433
Energy: 1.2054769865630726
Energy: 1.3544161394542005
Energy: 1.2348765121876402
Energy: 1.1695106975658263
Energy: 1.6573959601627508
Energy: 1.1098821835883304
Energy: 1.1346351522181577
Energy: 1.176258959214358
Energy: 1.108908911599326
Energy: 1.185718964079653
Energy: 1.1848553467134422
Energy: 1.22468395151501
Energy: 1.284824338752373
Energy: 1.1807894342384881
Energy: 1.1719043133554894
Energy: 1.3313272530938864
Energy: 1.5965361043360091
Energy: 1.3080896906465302
Energy: 1.3739807629381542
Energy: 1.5984784176878464
Energy: 1.4097199384538615
Energy: 1.4030026106535443
Energy: 1.6852392154613087
Energy: 1.5022327562265316
Energy: 1.4117383583948302
Energy: 1.6859359922547994
Energy: 1.5116027504010283
Energy: 1.6128012851809184
Energy: 0.9725666902496668
Energy: 1.1340591117641328
Energy: 1.068669637422412
Energy: 0.9708851031476551
Energy: 1.5165696589482702
Energy: 0.9915740630578334
Energy: 0.9673565197833316
Energy: 1.0963189834246665
Energy: 1.1301787232257345
Energy: 0.9701590724875052
Energy: 1.1232351985656317
Energy: 1.0345663253364412
Energy: 0.9580422856154845
Energy: 1.0800386153419421
Energy: 1.0947630906520585
Energy: 0.960176272306623
Energy: 1.1206849813339317
Energy: 1.1274843530959981
Energy: 2.148678299307427
Energy: 1.3168466990794714
Energy: 1.1891003770124824
Energy: 1.7254252421348495
Energy: 1.353747674997503
Energy: 1.3788610009894238

minimum gb energy = 0.9058553653610653 eV
minimum distance =  2.53070149724043 Angstroms
sigma value = 41


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

Energy: 1.6984831201306636
Energy: 1.844395375093117
Energy: 1.609957223670226
Energy: 1.7014296009939922
Energy: 1.8443102417092316
Energy: 1.3973838721474083
Energy: 0.9538061684981992
Energy: 1.0170089323834566
Energy: 1.017719522896909
Energy: 1.131332127021937
Energy: 0.9854930471719531
Energy: 1.084962221764615
Energy: 1.0238072984394282
Energy: 1.0234939055949295
Energy: 1.0807094737141738
Energy: 1.0257044499177714
Energy: 1.0491574750190933
Energy: 1.098905083235747
Energy: 1.0476364147333153
Energy: 1.0547055031637758
Energy: 1.0943595384562457
Energy: 1.049444199109715
Energy: 0.9637879401734225
Energy: 1.0586042998043315
Energy: 1.2473315297979362
Energy: 1.4729882686336977
Energy: 1.4731025507689177
Energy: 0.9841373032224123
Energy: 1.2689482563069727
Energy: 1.1947624108093777
Energy: 1.2155464738563775
Energy: 1.6436623249980777
Energy: 1.4572481994729807
Energy: 1.3755881564076535
Energy: 1.64360353821743
Energy: 1.458050671473066
Energy: 1.3698856862080775
Energy: 1.1919257256663232
Energy: 1.2822149292956013
Energy: 1.0474522235201391
Energy: 1.24449916131906
Energy: 1.278814021455312
Energy: 1.1869751231445624
Energy: 1.0782908186789042
Energy: 1.1458149026160358
Energy: 1.189924499609832
Energy: 1.091690200400826
Energy: 1.1968276278184982
Energy: 1.6757437292832909
Energy: 1.0358105192174807
Energy: 1.0343076266855342
Energy: 1.4951441156699448
Energy: 1.037785471863463
Energy: 1.119239113739147
Energy: 1.4348369782795196
Energy: 1.3754315339485204
Energy: 1.437052331226255
Energy: 1.4376312499549841
Energy: 1.3748324442130415
Energy: 1.4138253844289164
Energy: 1.4320319370438608
Energy: 1.4573285616256755
Energy: 1.3446777381476922
Energy: 1.4282455204941937
Energy: 1.4748249537869562
Energy: 1.3460250853307514
Energy: 1.4795284895818959
Energy: 1.3660559918300523
Energy: 1.3120436124943717
Energy: 1.4802621402977876
Energy: 1.470043693862741
Energy: 1.3547575858986214
Energy: 1.303280442876459
Energy: 1.366053509139989
Energy: 1.311768337314924
Energy: 1.311459826679091
Energy: 1.470347726698495
Energy: 1.3042796807332135
Energy: 1.0354994572815086
Energy: 1.152911277556316
Energy: 1.103913567280015
Energy: 1.0366488354212882
Energy: 1.0565283739435647
Energy: 1.0715502224325584
Energy: 1.048492337507539
Energy: 1.395822860133576
Energy: 1.277408674481226
Energy: 1.0493402670063452
Energy: 1.3854911573331319
Energy: 1.2137787397863726
Energy: 1.296439451125841
Energy: 1.0207592730001087
Energy: 1.0252342168224422
Energy: 1.2846975775749714
Energy: 1.355375990380916
Energy: 1.0618981563017602
Energy: 1.7016736050038483
Energy: 1.5016716597014257
Energy: 1.6282344620947042
Energy: 1.7040345405131716
Energy: 1.5015065652034805
Energy: 1.3327884919350692
Energy: 2.2115700723122895
Energy: 1.135954069083182
Energy: 1.170756185032107
Energy: 1.5540219529128914
Energy: 0.9859385269828697
Energy: 1.2842106645728735
Energy: 1.0247008331846248
Energy: 1.0251924211298868
Energy: 1.0821074714492733
Energy: 0.9993901643210423
Energy: 1.0477432452911566
Energy: 1.0798973162005387
Energy: 1.0575831818116974
Energy: 1.0722131922688996
Energy: 1.0615638538531602
Energy: 1.0505412177250253
Energy: 1.003935477029086
Energy: 1.0437788354555175
Energy: 1.0447323156601416
Energy: 1.1811442404442944
Energy: 1.047479723170736
Energy: 0.9839461107569761
Energy: 1.134016803046713
Energy: 1.0477329909376345
Energy: 1.513118099383659
Energy: 1.6441104497609618
Energy: 1.610943425882455
Energy: 1.5280223541166922
Energy: 1.727347624586994
Energy: 1.4542002626671136
Energy: 1.4566750596416471
Energy: 1.1403213075497642
Energy: 1.2822189640935908
Energy: 1.0446950214070383
Energy: 1.3069638955798828
Energy: 1.2802254711772232
Energy: 1.185035410129291
Energy: 1.114669883019856
Energy: 1.1463645287375128
Energy: 1.1876744916084676
Energy: 1.0694872178045072
Energy: 1.1054531378371273
Energy: 1.732105124639482
Energy: 1.0359704247959771
Energy: 1.0732081662655628
Energy: 1.0540809977338643
Energy: 1.0365497799264864
Energy: 1.1039032734426588
Energy: 1.430243963130036
Energy: 1.3119352370512571
Energy: 1.3805251006082193
Energy: 1.4283629093951788
Energy: 1.036376065140383
Energy: 1.3548090688690648
Energy: 1.435455085638051
Energy: 1.4531157036761435
Energy: 1.4019101227003534
Energy: 1.4291391150265318
Energy: 1.4085563879885434
Energy: 1.5471142007562204
Energy: 1.7395956556588161
Energy: 1.1094028544163195
Energy: 1.0965250763530003
Energy: 1.7202667403914136
Energy: 0.9507659591864476
Energy: 1.2586083061431665
Energy: 1.3917047391331332
Energy: 1.4820872001801169
Energy: 1.3538340754041893
Energy: 1.3935816431134134
Energy: 1.4762476998365246
Energy: 1.286479915145604
Energy: 1.0369816809346468
Energy: 1.2504246337973854
Energy: 1.0718210299914122
Energy: 1.036108552070475
Energy: 1.1738577624067121
Energy: 1.0718823600612035
Energy: 1.0318334142094345
Energy: 1.2829776893757752
Energy: 1.1872789402601212
Energy: 1.0284623652070737
Energy: 1.3189208896598084
Energy: 1.187359939063364
Energy: 1.056565674968556
Energy: 1.0348489518365906
Energy: 1.0366206309848003
Energy: 1.0528128423005751
Energy: 0.986151557851155
Energy: 1.0623924366760502
Energy: 1.7141490496304714
Energy: 1.3016637566897542
Energy: 1.4556683290491377
Energy: 1.7156511184450847
Energy: 1.2925883369546318
Energy: 1.576860219868805

minimum gb energy = 0.9507659591864476 eV
minimum distance =  2.50690581482153 Angstroms
sigma value = 33


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

Energy: 1.3328674689512534
Energy: 1.7729128618838208
Energy: 1.3725230128664736
Energy: 1.3354279427707991
Energy: 1.7715517588536425
Energy: 1.6311807175968955
Energy: 1.4483121995873345
Energy: 1.10595068488743
Energy: 1.1038663017893957
Energy: 1.5130847472003524
Energy: 1.0711088853786508
Energy: 1.1459623787944582
Energy: 1.1312951625527696
Energy: 1.1049849570372205
Energy: 1.0959373190961759
Energy: 1.133165609785385
Energy: 1.1602046661493544
Energy: 1.216118233902743
Energy: 1.1519059186179996
Energy: 1.172999979825342
Energy: 1.082259263971588
Energy: 1.1534355182709097
Energy: 1.036091029012983
Energy: 1.1364810476432539
Energy: 1.064730162962042
Energy: 1.397483604371103
Energy: 1.143017337695014
Energy: 1.072124422313422
Energy: 1.4468124127184443
Energy: 1.1336037435739643
Energy: 1.3770610259354337
Energy: 1.529586465129475
Energy: 1.3429796303478914
Energy: 1.3103377562056762
Energy: 1.721533654530899
Energy: 1.1864342905289498
Energy: 1.2856773650479163
Energy: 1.0968956897641458
Energy: 1.3641517019678593
Energy: 1.1589885921446303
Energy: 1.1562083442680717
Energy: 1.3628527571515763
Energy: 1.3341970171707707
Energy: 1.1545945876734784
Energy: 1.159856595902103
Energy: 1.3374479889552582
Energy: 1.21190974713672
Energy: 1.306468357393107
Energy: 1.4897255091838097
Energy: 1.032075702523673
Energy: 1.0250566312940608
Energy: 1.5658396868475042
Energy: 1.0264679009474256
Energy: 1.0710757742319927
Energy: 1.7068967847214729
Energy: 1.2113359702633464
Energy: 1.1906398748381026
Energy: 1.5135334208019984
Energy: 1.14990021548535
Energy: 1.1887086535480018
Energy: 1.507655443226434
Energy: 1.30909017298514
Energy: 1.4029114256505029
Energy: 1.0560804444605816
Energy: 1.2374956379340645
Energy: 1.3646776759959103
Energy: 1.2495888852818127
Energy: 1.6153937079779501
Energy: 1.4165348633812171
Energy: 1.2514707562537681
Energy: 1.354430412800164
Energy: 1.4159465537538654
Energy: 1.2576770934881778
Energy: 1.6886933982276757
Energy: 1.6155096581982502
Energy: 1.2583204305313203
Energy: 1.6886079664090787
Energy: 1.4183070382527692
Energy: 1.0647945050461693
Energy: 1.0910295182656726
Energy: 1.1705656551204109
Energy: 1.0664051194500668
Energy: 1.0938225026762163
Energy: 1.108541021199166
Energy: 0.9537725461282843
Energy: 1.2296880431197383
Energy: 1.2427385539181457
Energy: 1.1991762726022732
Energy: 1.1547044562357727
Energy: 1.1741592270565218
Energy: 1.0278431419257361
Energy: 1.105688654263104
Energy: 1.108436576223399
Energy: 1.019623995202571
Energy: 1.1643765655630278
Energy: 1.148718851994315
Energy: 1.7179463409907643
Energy: 1.68146280796937
Energy: 1.32100746001171
Energy: 1.719812443690889
Energy: 1.672713372507143
Energy: 1.4816378536009096
Energy: 1.8703055287284833
Energy: 1.2590697625709166
Energy: 1.1295934810566681
Energy: 1.6573511431126517
Energy: 1.3246087405446128
Energy: 1.12679005074579
Energy: 1.0352071781499554
Energy: 1.3401820158408044
Energy: 1.2236068087480736
Energy: 1.0365129869049847
Energy: 1.3112938810160086
Energy: 1.2497956807924622
Energy: 1.1288215826611128
Energy: 1.1845408614815536
Energy: 1.1488739298047885
Energy: 1.1303916776391056
Energy: 1.3116655567521394
Energy: 1.1913241859505004
Energy: 1.0274276345217994
Energy: 1.266432859071654
Energy: 1.0614767698964231
Energy: 1.0291472899998662
Energy: 1.1684028482337792
Energy: 1.0631681756645648
Energy: 1.1977485266948218
Energy: 1.5531283320836935
Energy: 1.5098525626575692
Energy: 1.1992107361418443
Energy: 1.5372138783520792
Energy: 1.2627458372347429
Energy: 1.4039262139110356
Energy: 1.1080517835351011
Energy: 1.357473283250803
Energy: 1.4683516112274553
Energy: 1.0684279459005428
Energy: 1.4028173002739113
Energy: 1.3348066802973455
Energy: 1.311796001241818
Energy: 1.3475052170042872
Energy: 2.1045250283733967
Energy: 1.3180569682130243
Energy: 1.3481449436037212
Energy: 1.8866213725671948
Energy: 1.0652331060514697
Energy: 1.103342292565634
Energy: 1.4528192275849015
Energy: 1.0756426772595484
Energy: 1.1415774570366737
Energy: 1.1261272529907989
Energy: 1.0999613567965116
Energy: 1.1008244324023824
Energy: 1.1279605522359175
Energy: 1.0997983348860263
Energy: 1.1969437757976784
Energy: 1.1532045141769405
Energy: 1.1814012686411186
Energy: 1.083432412808194
Energy: 1.1551087023208595
Energy: 1.0713395331903521
Energy: 1.1341326744162725
Energy: 1.2264426763345444
Energy: 1.3678212618131613
Energy: 1.1341837633204046
Energy: 1.0760382517732336
Energy: 1.4983661951203782
Energy: 1.1373005585969385
Energy: 1.7210401951994303
Energy: 1.6403412354355063
Energy: 1.3735477589553278
Energy: 1.72300870219404
Energy: 1.7201301044708122
Energy: 1.2235254894170342
Energy: 1.2840831374910888
Energy: 1.1507568380489106
Energy: 1.3639612800198433
Energy: 1.3071434309648913
Energy: 1.1534767897096792
Energy: 1.3623640276895397
Energy: 1.3337485321152254
Energy: 1.1762355666579245
Energy: 1.087555262811975
Energy: 1.33698976984003
Energy: 1.1832643768483455
Energy: 1.1209924135766065
Energy: 1.8763118394466063
Energy: 1.0258489775389028
Energy: 1.0237403633191682
Energy: 1.1822028706798267
Energy: 1.0292653315551925
Energy: 1.0982010388503394
Energy: 1.482970352317692
Energy: 1.124616840340914
Energy: 1.1880850314739253
Energy: 1.4361855450913112
Energy: 1.1316577962611936
Energy: 1.1879274140300837
Energy: 1.5999181073731632
Energy: 1.2413123229548377
Energy: 1.4207689431396913
Energy: 1.5294681695383885
Energy: 1.1735234700083588
Energy: 1.3673731708204946
Energy: 1.463134257134845
Energy: 1.0284728420887443
Energy: 1.3568227201886698
Energy: 1.260014964695522
Energy: 1.023616822730012
Energy: 1.274402238231436
Energy: 1.2960010173545773
Energy: 1.6904280902357884
Energy: 1.2918654986309632
Energy: 1.298319517856556
Energy: 1.7087529946301598
Energy: 1.4219501691297778
Energy: 1.063719889559388
Energy: 1.1749694050383286
Energy: 1.1805329623697969
Energy: 1.0651661768664806
Energy: 1.0922433670736227
Energy: 1.1087655119223796
Energy: 0.9709908221779836
Energy: 1.2264728358678914
Energy: 1.2241376507697528
Energy: 0.9703788886745114
Energy: 1.1539753755847784
Energy: 1.347887263982646
Energy: 1.0256166078408424
Energy: 1.1669789339820527
Energy: 1.1334670437693999
Energy: 1.0272322948455352
Energy: 1.1614652150974119
Energy: 1.1379903259010498
Energy: 1.7011269861928693
Energy: 1.3389016840672443
Energy: 1.2173299227754508
Energy: 1.7036690588297383
Energy: 1.3444570259566542
Energy: 1.4073314422417098
Energy: 1.7035264629253895
Energy: 1.1660065955192418
Energy: 1.2310172488182716
Energy: 1.510121496355055
Energy: 1.3377590085142816
Energy: 1.297870656837617
Energy: 1.0324226465350044
Energy: 1.3424161817319409
Energy: 1.1406261909159685
Energy: 1.0339550972367046
Energy: 1.3130785392325792
Energy: 1.1296408105054552
Energy: 1.2093906288791274
Energy: 1.3605011037833656
Energy: 1.2406597240041974
Energy: 1.2111013230023873
Energy: 1.3289476824077713
Energy: 1.0980516118030885
Energy: 1.0236177577668073
Energy: 1.0948714291986885
Energy: 1.0617748186697258
Energy: 1.0252895087764076
Energy: 1.1722910586527906
Energy: 1.0646855941443167
Energy: 1.2218639557120745
Energy: 1.6190136673557
Energy: 1.3895062648570908
Energy: 1.2238939217999318
Energy: 1.6169133466520758
Energy: 1.2357622912589634
Energy: 1.4016835770961098
Energy: 1.1044289905614806
Energy: 1.2972555217811683
Energy: 1.4020501195872284
Energy: 1.067203754008071
Energy: 1.3609252354060575
Energy: 2.099229329765289
Energy: 1.3147907973887911
Energy: 1.351854776162232
Energy: 1.9116963062682377
Energy: 1.3111439604365807
Energy: 1.4175316357401568

minimum gb energy = 0.9537725461282843 eV
minimum distance =  2.5503987201915 Angstroms
sigma value = 67


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

Energy: 1.5409995798626133
Energy: 1.471804114168337
Energy: 1.1357267567124716
Energy: 1.546009650422717
Energy: 1.4720613759948373
Energy: 1.5282163835117202
Energy: 1.190491361264277
Energy: 0.9762027466862141
Energy: 1.031586168006414
Energy: 1.1836049028354843
Energy: 0.9864191572490443
Energy: 0.8840155933553828
Energy: 1.2597685860610717
Energy: 0.953779598093237
Energy: 1.1191174703137796
Energy: 1.261348899356817
Energy: 0.9536764387762935
Energy: 1.3946550414593284
Energy: 1.2742896724799462
Energy: 1.1201869238157138
Energy: 1.2497939744786433
Energy: 1.2328784248994398
Energy: 1.0825491480686176
Energy: 1.1208023341927464
Energy: 1.2905173601739046
Energy: 1.25284857036822
Energy: 1.2494051074976587
Energy: 1.3079980198340144
Energy: 1.0296264421224723
Energy: 1.1218239840935622
Energy: 1.3070195311058985
Energy: 1.2543729277789826
Energy: 1.4599013953729267
Energy: 1.3077165887377757
Energy: 1.180678548024814
Energy: 1.4595968724108759
Energy: 1.4885452358037332
Energy: 1.2225630189023606
Energy: 1.251260864912078
Energy: 1.4907810515649957
Energy: 1.0689527248673143
Energy: 1.0317538158738753

minimum gb energy = 0.8840155933553828 eV
minimum distance =  2.59546117071726 Angstroms
sigma value = 3


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

Energy: 1.9615564576829907
Energy: 1.726924196462609
Energy: 1.3589023289817972
Energy: 1.9451937890434974
Energy: 1.7112909701083903
Energy: 1.5192475235146143
Energy: 1.6197477477055768
Energy: 1.3709346113450636
Energy: 1.3781526145526937
Energy: 1.44990535068939
Energy: 1.3688051868890874
Energy: 1.4560087659528782
Energy: 1.4839823028902437
Energy: 1.4873703827039277
Energy: 1.489273036474774
Energy: 1.3952890469931183
Energy: 1.6139594721049377
Energy: 1.559937595153651
Energy: 1.0384287344726515
Energy: 1.5244121765444265
Energy: 1.344121358307729
Energy: 1.0490491068856451
Energy: 1.5596109854549047
Energy: 1.114913591648853
Energy: 1.156314442052083
Energy: 1.4332096773240712
Energy: 1.344321465405277
Energy: 1.0570335245580624
Energy: 1.4382170135824648
Energy: 1.183165083933363
Energy: 1.424981054567803
Energy: 1.433679393001617
Energy: 1.4360808561014562
Energy: 1.3432282368164616
Energy: 1.503575878146009
Energy: 1.4734080760827712
Energy: 1.5118917842958244
Energy: 1.312374058805084
Energy: 1.2760802878619368
Energy: 1.1575159167779685
Energy: 1.296795532071975
Energy: 1.3387208945661024
Energy: 1.8321399963503062
Energy: 1.6626932357326496
Energy: 1.3701327261161829
Energy: 1.8528581432429887
Energy: 1.6322574777208907
Energy: 1.5227103139868718
Energy: 1.5739501376450276
Energy: 1.4598522283558863
Energy: 1.5388752588489523
Energy: 1.494261598671813
Energy: 1.5499311783437972
Energy: 1.5082354234509345
Energy: 1.617673931415621
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Energy: 1.485179091429566
Energy: 1.5927781587312386
Energy: 1.8209231770421102
Energy: 1.6331048802872283
Energy: 1.2586145221527987
Energy: 1.4510040968131168
Energy: 1.293608395609029
Energy: 1.2595826278916362
Energy: 1.3970421762371397
Energy: 1.2542631336006922
Energy: 1.516606082111769
Energy: 1.413953129927383
Energy: 1.4314523785486977
Energy: 1.4748192305386862
Energy: 1.3905597047682372
Energy: 1.4128029842600638
Energy: 1.4958313670886392
Energy: 1.2303682945818872
Energy: 1.2485534727063647
Energy: 1.456188929518484
Energy: 1.2413432519315348
Energy: 1.408531547820697
Energy: 1.587655381764718
Energy: 1.0391114072438186
Energy: 1.0856763260134428
Energy: 1.5375826528122714
Energy: 1.033942317498855
Energy: 1.057497316721441
Energy: 1.5978599665164892
Energy: 1.4205591754426798
Energy: 1.5297780112492514
Energy: 1.6004537623841375
Energy: 1.1836421141695601
Energy: 1.5510804666362525
Energy: 1.5662114843700803
Energy: 1.1578967848035726
Energy: 1.5222901032063365
Energy: 1.465443724209465
Energy: 1.4266876194518388
Energy: 1.5778384236701828
Energy: 1.6287276763635907
Energy: 1.6216777976345835
Energy: 1.5189160420798842
Energy: 1.6141339411862086
Energy: 1.9686519225591952
Energy: 1.6005066808974884
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Energy: 1.1552866587837969
Energy: 1.48025311353437
Energy: 1.2470621184494644
Energy: 1.4071681845544695
Energy: 1.9772950435075307
Energy: 1.5245278724853617
Energy: 1.5265573784492636
Energy: 1.7446991670997538
Energy: 1.4370793783916502
Energy: 1.4815473984256549
Energy: 1.8684097012895644
Energy: 1.10887505875926
Energy: 1.0967443794679785
Energy: 1.67681331267496
Energy: 1.1116198945302018
Energy: 1.2774671588362538
Energy: 1.535545742451994
Energy: 1.1386112268618434
Energy: 1.209218148432411
Energy: 1.3771831380703636
Energy: 1.2189453781454205
Energy: 1.2179199967545011
Energy: 1.3878355688022863
Energy: 1.4942537359688868
Energy: 1.5236572575934182
Energy: 1.3893887608535627
Energy: 1.458809364177405
Energy: 1.5016472891466546
Energy: 1.1639543670040842
Energy: 1.285270080095787
Energy: 1.1713824543810267
Energy: 1.1380448167918327
Energy: 1.2072538091085587
Energy: 1.1757162124703664
Energy: 1.2184027449746662
Energy: 1.6224029220690779
Energy: 1.5454387005556158
Energy: 1.2183112256190414
Energy: 1.7609542108968905
Energy: 1.4975356467040548
Energy: 1.5623450697522117
Energy: 1.5132561110965042
Energy: 1.559559879037327
Energy: 1.5544841539388146
Energy: 1.5294726297439327
Energy: 1.5391527332785044
Energy: 2.022164158469644
Energy: 1.5662364598371559
Energy: 1.526217841841642
Energy: 1.512897470353065
Energy: 1.545825354453434
Energy: 1.4946219279734527
Energy: 1.763771572586859
Energy: 1.4918114193007006
Energy: 1.4261193308283193
Energy: 1.661615822475668
Energy: 1.4915029151659644
Energy: 1.450857846774197
Energy: 1.549065527134954
Energy: 1.5334044295362084
Energy: 1.4938528068249695
Energy: 1.5496393665686228
Energy: 1.5999171029742565
Energy: 1.4693150537793829
Energy: 1.1632502089969277
Energy: 1.4927766528926014
Energy: 1.5524559550864523
Energy: 1.1649548171144426
Energy: 1.6303303642327223
Energy: 1.4357851488756925
Energy: 1.0484011833447169
Energy: 1.354771283302317
Energy: 1.0545205324501723
Energy: 1.0512922814089545
Energy: 1.4263654068266878
Energy: 1.0661629107844846
Energy: 1.2661223009197446
Energy: 1.5800359351165056
Energy: 1.5877100338032153
Energy: 1.2468512895949415
Energy: 1.60338249517672
Energy: 1.4867465835253606
Energy: 1.4221093372949283
Energy: 1.3825522576241007
Energy: 1.3502803706703383
Energy: 1.35037995490071
Energy: 1.320500802636985
Energy: 1.3653748932854164
Energy: 1.9214004294949099
Energy: 1.3015868837784104
Energy: 1.301092593352224
Energy: 1.7622205608674353
Energy: 1.3230172959965434
Energy: 1.5274823080856912
Energy: 1.7165939587346772
Energy: 1.5373149217900641
Energy: 1.5491916659801452
Energy: 1.6501993888224136
Energy: 1.5158491623178736
Energy: 1.5516221053018435
Energy: 1.5518467224545773
Energy: 1.4334875043239834
Energy: 1.4575018905506467
Energy: 1.5171981536281611
Energy: 1.4258678324420118
Energy: 1.5077978966132117
Energy: 1.3574352317778413
Energy: 1.6367292248646204
Energy: 1.5350217061984586
Energy: 1.384594685385824
Energy: 1.7839890916173986
Energy: 1.3856287524240518
Energy: 1.366405546786645
Energy: 1.3512400190060454
Energy: 1.3367222668184875
Energy: 1.322020810484874
Energy: 1.3760360798624849
Energy: 1.344473830511108
Energy: 1.4900232014983659
Energy: 1.2687942971967865
Energy: 1.4557320831867027
Energy: 1.493517383748036
Energy: 1.286240916988403
Energy: 1.5561720008792725
Energy: 1.6054311937939607
Energy: 1.0417133468323179
Energy: 1.0520352620265188
Energy: 1.6053566604489133
Energy: 1.0346607095833473
Energy: 1.122863302923211
Energy: 1.6099154177974853
Energy: 1.1546614102215818
Energy: 1.1533327341428852
Energy: 1.6083248155050591
Energy: 1.1718652687070628
Energy: 1.459058808301274
Energy: 1.7038890476163921
Energy: 1.4796624837191659
Energy: 1.5171998204384531
Energy: 1.6629725322460693
Energy: 1.4091819145050852
Energy: 1.5138570689413233
Energy: 1.6047915449733552
Energy: 1.525253886246008
Energy: 1.4587429138573444
Energy: 1.597387936112524
Energy: 1.964256354950234
Energy: 1.3634753522719505
Energy: 1.6862885080484582
Energy: 1.6701404417605266
Energy: 1.5201050342691949
Energy: 1.6886721490064425
Energy: 1.7719216703575857
Energy: 1.6180219059348282
Energy: 1.6237977553591756
Energy: 1.5964796590672832
Energy: 1.5374994902683494
Energy: 1.4143512390107869
Energy: 1.519867549133208
Energy: 1.5441132107545381
Energy: 1.7189860095404002
Energy: 1.322809852818431
Energy: 1.3127024304301813
Energy: 1.7280191171938404
Energy: 1.2341107315752762
Energy: 1.488440829551155
Energy: 1.4295445001805729
Energy: 1.1120486153619027
Energy: 1.1331191125186573
Energy: 1.3811474330851121
Energy: 1.0979828318846172
Energy: 1.1279749393446887
Energy: 1.4343723555379144
Energy: 1.3497888898293413
Energy: 1.4051946202149102
Energy: 1.4303266054263355
Energy: 1.3492234292687437
Energy: 1.4952810296902888
Energy: 1.2762227950744156
Energy: 1.3897874401512618
Energy: 1.3687449435477106
Energy: 1.191366877300871
Energy: 1.3989821626238477
Energy: 1.2871818404317654
Energy: 1.1762076672449135
Energy: 1.606249340792108
Energy: 1.3596012236849602
Energy: 1.1817987562346692
Energy: 1.6130400162135587
Energy: 1.1209557307433933
Energy: 1.6205081907660852
Energy: 1.5326921495488812
Energy: 1.463591353379428
Energy: 1.49861874070272
Energy: 1.6555019598705292
Energy: 1.6361719678728344
Energy: 1.6183664068064167
Energy: 1.4775511917289974
Energy: 1.376326732532035
Energy: 1.3840001603424383
Energy: 1.445576932971044
Energy: 1.4944924652537932

minimum gb energy = 1.033942317498855 eV
minimum distance =  2.5047339319819 Angstroms
sigma value = 81


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

Energy: 2.1307095256566924
Energy: 1.458161160192196
Energy: 1.2420705793978928
Energy: 2.0409005195931025
Energy: 1.4335637711444162
Energy: 1.6162021017895474
Energy: 1.7623255912388998
Energy: 1.120274962800241
Energy: 1.1291968256465348
Energy: 1.2956024629705747
Energy: 1.1214162025484011
Energy: 1.312366195850978
Energy: 1.5231122340458534
Energy: 1.4557382221821542
Energy: 1.4508640201458047
Energy: 1.5026332479254352
Energy: 1.481098591966082
Energy: 1.5951767170140971
Energy: 1.3571356486239579
Energy: 1.2608613258569041
Energy: 1.2799951495412347
Energy: 1.1859409348912575
Energy: 1.2769371644386516
Energy: 1.1923368976619528
Energy: 1.2408297137055433
Energy: 1.5696865827661397
Energy: 1.5087484157530722
Energy: 1.1919937093662225
Energy: 1.5567365810730454
Energy: 1.2234713706757958
Energy: 1.5926929197897601
Energy: 1.5108341252685435
Energy: 1.5291719933996084
Energy: 1.5322228995272318
Energy: 1.52407512376536
Energy: 1.5648752028158097
Energy: 1.584910449671748
Energy: 1.2060665913913036
Energy: 1.189388585725515
Energy: 1.356866048351623
Energy: 1.1971702796432644
Energy: 1.4794510626088144
Energy: 1.835870508204222
Energy: 1.822958334209629
Energy: 1.820201163592911
Energy: 1.859201457924672
Energy: 1.8466900494917133
Energy: 1.190921669936701
Energy: 1.4334845130413543
Energy: 1.202766767685116
Energy: 1.5142047868309296
Energy: 1.382697476266603
Energy: 1.2797763699693894
Energy: 1.4411232796246198
Energy: 1.4235173916408224
Energy: 1.5060493499589072
Energy: 1.5063911515872332
Energy: 1.4045258912804979
Energy: 1.4849768615617462
Energy: 1.439163071296932
Energy: 1.1696816417574263
Energy: 1.4558825621372928
Energy: 1.1262166894424142
Energy: 1.1500356896551915
Energy: 1.7425163149446043
Energy: 1.0819975851829202
Energy: 1.5009337413158743
Energy: 1.3528273345772475
Energy: 1.2515267930477794
Energy: 1.4315659818849316
Energy: 1.4094223731241713
Energy: 1.3924292598916646
Energy: 1.455921638083313
Energy: 1.4433353655642327
Energy: 1.3883792367690269
Energy: 1.4577630086247257
Energy: 1.4145589764698367
Energy: 1.257187946840292
Energy: 1.677575188112854
Energy: 1.2271087586779748
Energy: 1.2060291827455523
Energy: 1.6543826603750114
Energy: 1.218651415519293
Energy: 1.2142707621309434
Energy: 1.8132252100195003
Energy: 1.5225153529890483
Energy: 1.5848943260195743
Energy: 1.8010824722713423
Energy: 1.5783985833194205
Energy: 1.5915048448533238
Energy: 1.5652540097973935
Energy: 1.5517968656994794
Energy: 1.480054004394046
Energy: 1.5580950984490447
Energy: 1.5318164403107632
Energy: 1.4690184540133553
Energy: 1.727109396661642
Energy: 1.7471830973032354
Energy: 1.4952012717728067
Energy: 1.720808072372395
Energy: 1.8629958312546975
Energy: 1.1832469939879404
Energy: 1.3081094445236157
Energy: 1.2317675411105626
Energy: 1.4928585385165691
Energy: 1.3406655070948474
Energy: 1.2547751022245925
Energy: 1.3131094688552314
Energy: 1.746324127518722
Energy: 1.4478626334338929
Energy: 1.3279320689838163
Energy: 1.7342269851414434
Energy: 1.4720188170246011
Energy: 1.400799594949251
Energy: 1.735333552931384
Energy: 1.2268645518905377
Energy: 1.229411632178208
Energy: 1.678557189182106
Energy: 1.2687285806668205
Energy: 1.2385835610075924
Energy: 1.4451449914029915
Energy: 1.2324259501419925
Energy: 1.2182129346194672
Energy: 1.432968766346361
Energy: 1.2576098498506434
Energy: 1.3442954622126064
Energy: 1.452364877524538
Energy: 1.5813723617890634
Energy: 1.5414782339401911
Energy: 1.4541328292672122
Energy: 1.5163296315464723
Energy: 1.5047270820668277
Energy: 1.2165468468852678
Energy: 1.3692854461482824
Energy: 1.2050343814292486
Energy: 1.1973425870292662
Energy: 1.2874407231597893
Energy: 1.208084718794442
Energy: 1.2915113951940613
Energy: 1.5914797524500535
Energy: 1.5850262306047573
Energy: 1.2731542228098893
Energy: 1.6412688726157199
Energy: 1.3120576705607394
Energy: 1.544856701024521
Energy: 1.2257398969076938
Energy: 1.479370539606187
Energy: 1.5239813704792933
Energy: 1.5479092367191631
Energy: 1.45605579167533
Energy: 1.834706950085747
Energy: 1.506136939605325
Energy: 1.5047132781290726
Energy: 1.8359999428373428
Energy: 1.5154900287757123
Energy: 1.5169107793690426
Energy: 1.915891968195621
Energy: 1.6188934905150285
Energy: 1.6125533014895106
Energy: 1.5621009669891608
Energy: 1.7356833453055718
Energy: 1.4485705521898666
Energy: 1.3816298443415784
Energy: 1.4392215288805585
Energy: 1.441606763531046
Energy: 1.369709721820314
Energy: 1.6059184109266347
Energy: 1.347168541474511
Energy: 1.221823376444619
Energy: 1.5147754238652726
Energy: 1.514579360490374
Energy: 1.197130989941617
Energy: 1.4997157508399346
Energy: 1.2572461879723944
Energy: 1.177379373147725
Energy: 1.3687515806038264
Energy: 1.3168729724219628
Energy: 1.1786986054114619
Energy: 1.2556881169283491
Energy: 1.0545030400789954
Energy: 1.4990688545425908
Energy: 1.4832514094784335
Energy: 1.6025023994749177
Energy: 1.500580823851595
Energy: 1.5564210502810887
Energy: 1.4177252186592821
Energy: 1.3297363304219578
Energy: 1.1950402655932224
Energy: 1.1840250356880322
Energy: 1.281842617472649
Energy: 1.1859611631900693
Energy: 1.2267020348905655
Energy: 1.6913090461837927
Energy: 1.2312774396043462
Energy: 1.2408950300412316
Energy: 1.5838346942161539
Energy: 1.239540288089112
Energy: 1.5541233791820748
Energy: 1.5494849361526308
Energy: 1.551193612733135
Energy: 1.5318948792797709
Energy: 1.5756327405306232
Energy: 1.4842081224231207
Energy: 1.5144540535688342
Energy: 1.1853297273451358
Energy: 1.1819656909513523
Energy: 1.4614553453793422
Energy: 1.2014444469875765
Energy: 1.6128721164137927
Energy: 1.175608322957307
Energy: 1.636057987771282
Energy: 1.5935858800033897
Energy: 1.188728846994493
Energy: 1.605043157233657
Energy: 1.835549255821346
Energy: 1.6048960153916918
Energy: 1.754410545809991
Energy: 1.3906190997165657
Energy: 1.3995441034866976
Energy: 1.6446723968773922
Energy: 1.347478740173133
Energy: 1.5890813694974673
Energy: 2.1310325402942745
Energy: 1.1821980114667008
Energy: 1.238621131227264
Energy: 2.042082825853554
Energy: 1.2839292115338274
Energy: 1.5590749031922086

minimum gb energy = 1.0545030400789954 eV
minimum distance =  2.53930450145737 Angstroms
sigma value = 43


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

Energy: 2.0690548376265716
Energy: 1.6103749405937855
Energy: 1.3225817461263987
Energy: 2.070680703748179
Energy: 1.783267847227234
Energy: 1.2171783043714666
Energy: 1.5896337309598612
Energy: 1.1280700136076987
Energy: 1.128591250656147
Energy: 1.4161090271477426
Energy: 1.4383021826555238
Energy: 1.2446148352552437
Energy: 1.4860345452178008
Energy: 1.4867444405463723
Energy: 1.44072363836645
Energy: 1.3968674029180095
Energy: 1.5348175238698334
Energy: 1.4724589583681718
Energy: 0.9981353634613341
Energy: 1.4684264539385812
Energy: 1.0878650631177158
Energy: 0.9994306494069767
Energy: 1.4528105584148445
Energy: 0.9969535401396918
Energy: 1.0527031256396748
Energy: 1.3223104016591427
Energy: 1.241251136024141
Energy: 1.0582649927766263
Energy: 1.3215547406900543
Energy: 1.1059132404528513
Energy: 1.46010421165171
Energy: 1.287703388424821
Energy: 1.1564619028143792
Energy: 1.4240264577831128
Energy: 1.2992933094043544
Energy: 1.3154753909015826
Energy: 1.4537726105431914
Energy: 0.9974077286361109
Energy: 0.9976205997985034
Energy: 1.3611990845517856
Energy: 1.0061206622581316
Energy: 0.9981134828311795
Energy: 1.7250775362004098
Energy: 1.0778973871493034
Energy: 1.4624508387918427
Energy: 1.7277778816040048
Energy: 1.0782795956338054
Energy: 1.4860541321599974
Energy: 1.4335443356233415
Energy: 1.2392634893907535
Energy: 1.3322641015757901
Energy: 1.4354025562353296
Energy: 1.4730681642532895
Energy: 1.5023135714309412
Energy: 1.5471738525195864
Energy: 1.6137813498656313
Energy: 1.5325257138121742
Energy: 1.545129585494875
Energy: 1.6137972733709498
Energy: 1.3322957066448007
Energy: 1.3718040085863121
Energy: 1.4069163957744208
Energy: 1.6106798040961774
Energy: 1.3770288027896458
Energy: 1.564848600104868
Energy: 1.3142601244314172
Energy: 1.478730541686299
Energy: 1.4088482894047945
Energy: 1.5030553749524018
Energy: 1.6096061809005002
Energy: 1.450333345072805
Energy: 1.5032848937239809
Energy: 1.9159977259134369
Energy: 1.115026556118791
Energy: 1.091731601552848
Energy: 1.5434881568642098
Energy: 1.1153182499109224
Energy: 1.4397181008436504
Energy: 1.5940916331539325
Energy: 1.1911014016674155
Energy: 1.2160511197265258
Energy: 1.231426846635907
Energy: 1.1503462194096195
Energy: 1.2478543608432764
Energy: 1.249618739563355
Energy: 1.4832473187369364
Energy: 1.5045125275652145
Energy: 1.2497486605857804
Energy: 1.4456868677431116
Energy: 1.4984856925702836
Energy: 0.9587384890712151
Energy: 1.3098891417814342
Energy: 1.0553227674347558
Energy: 0.9611326936306449
Energy: 1.3890685547494888
Energy: 0.9572229430554486
Energy: 1.1351984486847262
Energy: 1.3886440811082297
Energy: 1.3882024473426051
Energy: 1.1352573560872175
Energy: 1.4616263496996529
Energy: 1.3569056224136817
Energy: 1.4841409516215411
Energy: 1.408059185332228
Energy: 1.382583426082439
Energy: 1.3731837536589924
Energy: 1.3465941439926186
Energy: 1.3843586183523975
Energy: 1.7259930182108878
Energy: 1.3402429706002412
Energy: 1.3324005904293545
Energy: 1.601326382504415
Energy: 1.3364677560356784
Energy: 1.2602567178662458
Energy: 1.6497456570236066
Energy: 1.4526736968738871
Energy: 1.559813955937831
Energy: 1.597565907394951
Energy: 1.4774248765489821
Energy: 1.4452448192339302
Energy: 1.4262503464112715
Energy: 1.262568766334752
Energy: 1.4030921005489163
Energy: 1.4282512297058976
Energy: 1.4165624872983478
Energy: 1.1683356907433011
Energy: 1.3548096244958625
Energy: 1.5319256609216783
Energy: 1.4710526689921983
Energy: 1.3544872520170521
Energy: 1.8820910812729559
Energy: 1.2125422629324296
Energy: 1.2217967363794917
Energy: 1.1960675212424157
Energy: 1.170112613167027
Energy: 1.218365956916655
Energy: 1.3227477630294573
Energy: 1.4105965437671082
Energy: 1.5900994175679488
Energy: 1.4006519648143099
Energy: 1.4620290954104116
Energy: 1.4636217700197676
Energy: 1.392175787213456
Energy: 1.4272506889883438
Energy: 1.3622575875606815
Energy: 0.9573309592256046
Energy: 0.963908396837868
Energy: 1.3451059470457334
Energy: 0.9573960341100138
Energy: 1.0052495878423
Energy: 1.562532306566575
Energy: 1.0208915677194652
Energy: 1.094738094407007
Energy: 1.3857812463916808
Energy: 1.0204571653965042
Energy: 1.209970754173767
Energy: 1.3915107069553283
Energy: 1.2783021006972917
Energy: 1.3787372195781802
Energy: 1.3659450639515478
Energy: 1.3283380130392877
Energy: 1.359196450118888
Energy: 1.108944386013035
Energy: 1.3173917435756042
Energy: 1.2030987490764484
Energy: 1.1103454939609017
Energy: 1.2178054212622826
Energy: 1.1049966357909162
Energy: 1.42856495791217
Energy: 1.527870830094963
Energy: 1.4058933383312087
Energy: 1.4302645272768124
Energy: 1.7518845337116673
Energy: 1.4210605586719691
Energy: 1.3981929736910494
Energy: 1.128822901544606
Energy: 1.352032724837414
Energy: 1.3731312005769907
Energy: 1.1774338675030684
Energy: 1.417977894914867
Energy: 2.072357976919224
Energy: 1.650745104300546
Energy: 1.4321674568259708
Energy: 1.5518850973591487
Energy: 1.603871213554437
Energy: 1.5871535923430204

minimum gb energy = 0.9572229430554486 eV
minimum distance =  2.54266701083857 Angstroms
sigma value = 57


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

Energy: 1.5888666100927842
Energy: 1.5725886883847715
Energy: 1.0864280434827573
Energy: 1.5914072195617934
Energy: 1.5747476433839858
Energy: 1.6738238217209527
Energy: 1.4957646209905686
Energy: 1.0946498630053922
Energy: 1.1698915123307485
Energy: 1.3184280273005076
Energy: 1.0945671932873124
Energy: 1.1650712623591357
Energy: 1.3607271773198761
Energy: 1.3015142218545075
Energy: 1.308342834846955
Energy: 1.361076554710625
Energy: 1.3989502107645517
Energy: 1.3978359700502683
Energy: 0.9971772789118475
Energy: 1.3221840233933755
Energy: 1.3087554423122965
Energy: 0.998696192693937
Energy: 1.356726525455924
Energy: 0.9957820438217925
Energy: 1.1186685840507509
Energy: 1.307811797092629
Energy: 1.2999712167451494
Energy: 1.1185714185804014
Energy: 1.2746095990717061
Energy: 1.0928014103969068
Energy: 1.413890639466452
Energy: 1.223925673833386
Energy: 1.2240617266418328
Energy: 1.3481867890271773
Energy: 1.0204163465344616
Energy: 1.2234457496563838
Energy: 1.4075011763364218
Energy: 1.0165029038311764
Energy: 1.0178266774066524
Energy: 1.408882421865201
Energy: 1.0209068342938248
Energy: 1.0174818823829053
Energy: 1.5888724991433445
Energy: 1.434261193270615
Energy: 1.443825028592333
Energy: 1.4237576204866202
Energy: 1.3253224737460685
Energy: 1.3643637790521985
Energy: 1.4125229055337543
Energy: 1.1653647381334806
Energy: 1.1659179255502967
Energy: 1.4076510700549139
Energy: 1.3014863237225074
Energy: 1.342330669248907
Energy: 1.3528853849089437
Energy: 1.448474394271053
Energy: 1.4509841355229574
Energy: 1.3528624180480784
Energy: 1.4485312218633428
Energy: 1.3734821496880818
Energy: 1.3471540320402275
Energy: 1.1807681774615009
Energy: 1.3362592927246606
Energy: 1.2244478289797367
Energy: 1.3188796546369819
Energy: 1.2818760664846816
Energy: 1.4784200467218662
Energy: 1.3342543145643542
Energy: 1.3467089541361619
Energy: 1.4804340354719
Energy: 1.2614115433245991
Energy: 1.27578752472834
Energy: 1.4837334758663896
Energy: 1.1623116831471922
Energy: 1.2707986550278048
Energy: 1.6168371110943742
Energy: 1.1555274994906084
Energy: 1.27082283638365
Energy: 1.5278653387374341
Energy: 1.09340967171467
Energy: 1.1656588393596725
Energy: 1.2959031562129297
Energy: 1.09533315493505
Energy: 1.2075968228907754
Energy: 1.2856430227367641
Energy: 1.3610593330554888
Energy: 1.359195637707631
Energy: 1.3834463899132516
Energy: 1.5955741748221721
Energy: 1.4014370898467978
Energy: 1.016166052621606
Energy: 1.2153406174769887
Energy: 1.0484635700541296
Energy: 1.0181658722579738
Energy: 1.1843300545333777
Energy: 1.0121891287720095
Energy: 1.2907214470045785
Energy: 1.3059848419344569
Energy: 1.3058666168886703
Energy: 1.2610362920524822
Energy: 1.4998590896924404
Energy: 1.2992019822789815
Energy: 1.2985056608795886
Energy: 1.017835922894285
Energy: 1.2579151841830973
Energy: 1.2868944195993846
Energy: 1.0816431552455887
Energy: 1.226603197504437
Energy: 1.416061903128786
Energy: 0.9954442242301582
Energy: 0.9994904860674683
Energy: 1.4072516759941114
Energy: 0.9996227222045327
Energy: 1.138325821475707
Energy: 1.4083272519624246
Energy: 1.3464105265638173
Energy: 1.363935276545547
Energy: 1.4076137337431907
Energy: 1.4004036536028022
Energy: 1.3647795727987702
Energy: 1.2183757223778426
Energy: 1.166865182238048
Energy: 1.166066007321029
Energy: 1.0942407236832106
Energy: 1.268334180469788
Energy: 1.0964668883835083
Energy: 1.543642214402681
Energy: 1.4536745817859924
Energy: 1.4539798522382419
Energy: 1.545417625885488
Energy: 1.881489756928796
Energy: 1.272482252219789
Energy: 1.347650944510113
Energy: 1.0931026019567953
Energy: 1.1655871038013368
Energy: 1.4487011607817915
Energy: 1.2975068803075223
Energy: 1.0923991638920822
Energy: 1.4841201206462435
Energy: 1.4021368107966397
Energy: 1.3126484184874792
Energy: 1.5453414967194339
Energy: 1.3365212731330178
Energy: 1.4548953802035678

minimum gb energy = 0.9954442242301582 eV
minimum distance =  2.5427452262117 Angstroms
sigma value = 17


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

Energy: 1.8190855189703614
Energy: 1.5800659425588965
Energy: 1.2716704086275976
Energy: 1.8217175640908438
Energy: 1.5903832608823951
Energy: 1.286879088765823
Energy: 1.4163440870448982
Energy: 1.2904996970783222
Energy: 1.3021419966475787
Energy: 1.2762740753896402
Energy: 1.2293644325428468
Energy: 1.2532349706046968
Energy: 1.3881011473899727
Energy: 1.2645964796741005
Energy: 1.2642460663989867
Energy: 1.3902608507233243
Energy: 1.2671525609927585
Energy: 1.2641045524141907
Energy: 1.1031689527921502
Energy: 1.2647422967841022
Energy: 1.26449891166128
Energy: 1.1036634165586516
Energy: 1.3722883913187893
Energy: 1.1619421795838174
Energy: 1.1380569909344314
Energy: 1.2663765705550516
Energy: 1.236584592305428
Energy: 1.1384883527325464
Energy: 1.129592513250294
Energy: 1.2297665681480827
Energy: 1.5713491532798565
Energy: 0.9487224538750169
Energy: 1.07617105982808
Energy: 1.5734188725030696
Energy: 0.9632082625716241
Energy: 1.2398698482647066
Energy: 1.3661970303540798
Energy: 0.9443996086409936
Energy: 0.9443944336032377
Energy: 1.2661888427298207
Energy: 0.9505366039106873
Energy: 1.0582987777093578
Energy: 1.4964452790220835
Energy: 1.335125291302444
Energy: 1.3009202037373608
Energy: 1.4988885528520435
Energy: 1.336048338104042
Energy: 1.1976522111359145
Energy: 0.9483553352889714
Energy: 1.269444997089616
Energy: 1.201216299088655
Energy: 0.9504429165987553
Energy: 1.2665305378578187
Energy: 0.9459385032737497
Energy: 0.9628461239563977
Energy: 1.247793266705932
Energy: 1.2479615774285033
Energy: 0.9629185481807508
Energy: 1.2484206111831664
Energy: 1.216146296684059
Energy: 1.577931858658325
Energy: 1.290445512251476
Energy: 1.2220805804176815
Energy: 1.3146641396172078
Energy: 1.227718928372775
Energy: 1.2227661293214311
Energy: 1.3956408521439831
Energy: 1.0993851361424283
Energy: 1.0992934182502696
Energy: 1.396704932042439
Energy: 1.106571951037718
Energy: 1.1001070156011634
Energy: 1.445167541993824
Energy: 1.3621114691360363
Energy: 1.3591165391518576
Energy: 1.447502177031567
Energy: 1.4261305404049835
Energy: 1.4104615425565448
Energy: 1.3594879422147297
Energy: 1.2663375308735092
Energy: 1.2309407777063195
Energy: 1.3593866694818029
Energy: 1.356044559829224
Energy: 1.3103081428478474
Energy: 1.4773502668613023
Energy: 1.3710445596906677
Energy: 1.4194852119996262
Energy: 1.478386498174293
Energy: 1.3717693743209067
Energy: 1.3558704267650954
Energy: 1.3722768004629726
Energy: 1.3185915919043985
Energy: 1.2676943818488107
Energy: 1.3716342471682403
Energy: 1.5409036112791246
Energy: 1.2295901454794367
Energy: 1.364829164184461
Energy: 1.4157115407211331
Energy: 1.354423983864681
Energy: 1.3649505951906309
Energy: 1.4158582219172904
Energy: 1.3429302745766103

minimum gb energy = 0.9443944336032377 eV
minimum distance =  2.54820373633599 Angstroms
sigma value = 17


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

Energy: 1.9546932351477997
Energy: 1.5086583223679324
Energy: 1.2196013627221503
Energy: 1.9582396126699693
Energy: 1.508989654330157
Energy: 1.2241755998882287
Energy: 1.5562104139213195
Energy: 1.2578093267839228
Energy: 1.2078575122058692
Energy: 1.3818208672163148
Energy: 1.3168864339138513
Energy: 1.3092659254654953
Energy: 1.3388383328604336
Energy: 1.1904849183890465
Energy: 1.1860053677504958
Energy: 1.3390024145299917
Energy: 1.1172777646696068
Energy: 1.1978100059657548
Energy: 1.100204949896689
Energy: 1.186623265509575
Energy: 1.1857407675259186
Energy: 1.1019508615454405
Energy: 1.143612460898681
Energy: 1.1217829728662871
Energy: 1.1941592133924608
Energy: 1.1549962244792946
Energy: 1.1563143008638124
Energy: 1.1960735954484298
Energy: 1.3951138200170794
Energy: 1.1607900007402863
Energy: 1.7160256703238055
Energy: 0.9695698638222667
Energy: 1.0865548462000754
Energy: 1.4467539431339742
Energy: 0.9692890590359043
Energy: 1.1402169111378215
Energy: 1.3119496044165482
Energy: 0.9425176190748787
Energy: 0.933415849622207
Energy: 1.3138810188156105
Energy: 0.936491392502554
Energy: 1.028316154001946
Energy: 1.381141552260537
Energy: 1.1607300796753985
Energy: 1.1863319105090762
Energy: 1.3811486210671389
Energy: 1.2081045052602122
Energy: 1.183906119305953
Energy: 0.8897198997593602
Energy: 1.1599330838122073
Energy: 1.0261112105607155
Energy: 0.891351835962284
Energy: 1.1398527141118395
Energy: 0.9020270169384854
Energy: 0.9225298079227046
Energy: 1.115992971256663
Energy: 1.1130760539914335
Energy: 0.9361987217764501
Energy: 1.143861327610355
Energy: 1.0879124616678326
Energy: 1.3159173631899839
Energy: 0.9357743699409722
Energy: 1.085818964572341
Energy: 1.1427775095450172
Energy: 0.93627123926781
Energy: 1.0864602453033927
Energy: 1.134491069355302
Energy: 0.9143473435732596
Energy: 0.9022138798822812
Energy: 1.136729831268053
Energy: 0.9079681588873272
Energy: 1.0184736696724215
Energy: 1.2723780421990032
Energy: 1.2887316141516554
Energy: 1.1340564298743196
Energy: 1.1866806993895194
Energy: 1.3543714800711464
Energy: 1.1461627574340312
Energy: 0.933441475483111
Energy: 1.1801857603457298
Energy: 1.1611821901302672
Energy: 0.9335211777077903
Energy: 1.224592737392738
Energy: 0.9334494282331969
Energy: 0.9701485808941838
Energy: 1.1472261948445537
Energy: 1.1480098919340516
Energy: 0.9697623070030309
Energy: 1.1465378120813747
Energy: 1.1717349368804097
Energy: 1.3764648858805044
Energy: 1.1599410224707802
Energy: 1.1524503497794287
Energy: 1.3348988462089102
Energy: 1.09994760224964
Energy: 1.14757302266771
Energy: 1.2124397670578861
Energy: 1.0973961116240747
Energy: 1.0980151346944218
Energy: 1.2443303411190312
Energy: 1.1065977914689649
Energy: 1.098040933456015
Energy: 1.2017556550376123
Energy: 1.2902660427398454
Energy: 1.266788813024479
Energy: 1.106146118963015
Energy: 1.3403931529202222
Energy: 1.2141666312867363
Energy: 1.363917427942018
Energy: 1.2011310335737018
Energy: 1.409699367717524
Energy: 1.36428981214941
Energy: 1.4790856275856787
Energy: 1.3220677542991404
Energy: 1.4766540768145444
Energy: 1.1901543255288825
Energy: 1.1915040835144384
Energy: 1.4765882209582588
Energy: 1.4707639455361685
Energy: 1.261760562662835
Energy: 1.414710771376415
Energy: 1.3324982141275803
Energy: 1.187516309721962
Energy: 1.4144664698184846
Energy: 1.5167042385598801
Energy: 1.2691352348480707
Energy: 1.2541930117194127
Energy: 1.3513804146403654
Energy: 1.2830799715207728
Energy: 1.2318337253949214
Energy: 1.3422055097946801
Energy: 1.1970814493616346
Energy: 1.2243421940978318
Energy: 1.2567369910924726
Energy: 1.2528216741054703
Energy: 1.2266086399626255
Energy: 1.2529720927557202
Energy: 1.2808102548692748
Energy: 1.3479383448564235
Energy: 1.41318181243436
Energy: 1.2707873218774326
Energy: 1.349471309296663
Energy: 1.2748712946030962
Energy: 1.2767977938735389
Energy: 1.0984656031610123
Energy: 1.1934577417682577
Energy: 1.1863735419193915
Energy: 1.0987863416781274
Energy: 1.458824470478942
Energy: 1.1983677476382477
Energy: 1.1754087447373627
Energy: 1.1966347125327723
Energy: 1.1810034866955463
Energy: 1.1318389294926618
Energy: 1.1243989163740065
Energy: 1.162470526780843
Energy: 1.4249996371978184
Energy: 1.3108575868573975
Energy: 1.2426170954887739
Energy: 1.4467784008038551
Energy: 1.310706087787549
Energy: 1.1397859981092324
Energy: 1.2292172609697203
Energy: 0.9420499647621574
Energy: 0.9470347507866523
Energy: 1.2300715907790751
Energy: 0.9362808384328513
Energy: 0.946035967730635
Energy: 1.4393690537119992
Energy: 1.1112907629945539
Energy: 1.117906874988396
Energy: 1.3960721826378462
Energy: 0.9809996856630278
Energy: 1.1378365163599067
Energy: 0.9359672647494475
Energy: 1.1609195815163054
Energy: 1.1397432628118678
Energy: 0.9373069960078114
Energy: 1.2074115614456629
Energy: 1.0876787891813606
Energy: 0.9084427655958363
Energy: 1.1723305595856264
Energy: 1.1457211498339168
Energy: 0.9101271574727667
Energy: 1.1593362178152715
Energy: 1.0265632297226657
Energy: 1.459453599929878
Energy: 1.1873659856571577
Energy: 1.184968314919056
Energy: 1.4589897068178834
Energy: 1.1921556359859729
Energy: 1.1799657861731274
Energy: 1.2907844314771184
Energy: 0.8964273859375826
Energy: 0.8884935996729486
Energy: 1.2182241240326797
Energy: 0.8898382487586887
Energy: 0.8884620433193511
Energy: 1.6200068504787632
Energy: 1.0130029809880468
Energy: 1.1076165931999682
Energy: 1.6226535621451201
Energy: 1.0119430391332946
Energy: 1.1340293975212483
Energy: 0.9842429326659602
Energy: 1.1964039276128982
Energy: 1.1413445651939038
Energy: 0.9859482846649591
Energy: 1.2237450469333284
Energy: 1.1577764318903732
Energy: 0.9722729878160006
Energy: 1.1638894230663304
Energy: 1.1711964085077167
Energy: 0.9740141033169119
Energy: 1.1635550976020677
Energy: 0.9627937875167369
Energy: 1.3297305130365897
Energy: 1.1509746772505984
Energy: 1.1424480272844884
Energy: 1.3303325219349023
Energy: 1.1893251993888774
Energy: 1.1606907112609586
Energy: 1.3903112084933427
Energy: 1.0899020673617041
Energy: 1.0819351812804525
Energy: 1.1885992595532624
Energy: 1.0839519222413476
Energy: 1.0818763053704101
Energy: 1.4326775319162617
Energy: 1.3450400794004191
Energy: 1.2374667700314688
Energy: 1.4707213836263573
Energy: 1.3403966489226722
Energy: 1.170575373097867
Energy: 1.3795143169837896
Energy: 1.179636592713153
Energy: 1.1738704031532694
Energy: 1.3668129651011784
Energy: 1.1881739155638318
Energy: 1.292096607287436
Energy: 1.3997685095889159
Energy: 1.2309842939363687
Energy: 1.2956329994470537
Energy: 1.4014254451149444
Energy: 1.261031245416159
Energy: 1.2908062438083414
Energy: 1.4179702534958445
Energy: 1.3169445344322253
Energy: 1.186663758772001
Energy: 1.4172681697636824
Energy: 1.3681782599727847
Energy: 1.363957006224353
Energy: 1.2739395215676468
Energy: 1.3442667330951834
Energy: 1.3440127681719372
Energy: 1.2741371599157305
Energy: 1.3532929153370303
Energy: 1.2809193599618751

minimum gb energy = 0.8884620433193511 eV
minimum distance =  2.54223336166927 Angstroms
sigma value = 57


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

Energy: 1.8022839789954965
Energy: 1.4486192328724263
Energy: 1.156325672629055
Energy: 1.8049243726017867
Energy: 1.4449478434473277
Energy: 1.1596873876752807
Energy: 1.3985944234750964
Energy: 1.1976424707164306
Energy: 1.1525336563108148
Energy: 1.3104832138485585
Energy: 1.1863429876752052
Energy: 1.1786232949214113
Energy: 1.261329363199478
Energy: 1.1290692239509184
Energy: 1.1128237629536297
Energy: 1.264105191640361
Energy: 1.0812998563730691
Energy: 1.1321864343886494
Energy: 1.0615709728862257
Energy: 1.1309683959981804
Energy: 1.1197903501620716
Energy: 1.1346565437097815
Energy: 1.158697516030648
Energy: 1.0711006863220134
Energy: 1.203271800383071
Energy: 1.1047538103556942
Energy: 1.0961874540596501
Energy: 1.2036485657109712
Energy: 1.2409589437324409
Energy: 1.102145817949034
Energy: 1.3291766655120854
Energy: 0.9360763716203598
Energy: 1.0248986552852632
Energy: 1.367291584662518
Energy: 0.9558018190233137
Energy: 1.075733013754351
Energy: 1.2290639537539036
Energy: 0.9179021242749387
Energy: 0.9228947870958072
Energy: 1.2120320834437586
Energy: 0.915910934015304
Energy: 1.0636065632863738
Energy: 1.2684028733671435
Energy: 1.0835219966960843
Energy: 1.1036006012645079
Energy: 1.2709544456991118
Energy: 1.089552287532051
Energy: 1.11341716866296
Energy: 0.8581343327200828
Energy: 1.072716396244443
Energy: 0.8722919756384275
Energy: 0.8585421372355453
Energy: 1.1906373098309844
Energy: 0.8724536689575575
Energy: 0.9089206044023517
Energy: 1.0427796732148276
Energy: 1.0405811968516279
Energy: 0.9092202796019676
Energy: 1.0777340753784594
Energy: 1.0253472361088904
Energy: 1.2621685116874584
Energy: 0.8585633832606048
Energy: 1.0050368205077305
Energy: 1.1104187958177894
Energy: 0.8739401765239219
Energy: 1.0486659397194185
Energy: 1.0553798416644322
Energy: 0.8473561560797775
Energy: 0.8545190806029942
Energy: 1.0560830885219716
Energy: 0.832621662359816
Energy: 1.0403838759914257
Energy: 1.3419214095842493
Energy: 1.0826914445505122
Energy: 1.0762151725962945
Energy: 1.1459352743368307
Energy: 1.2174058182606322
Energy: 1.1172217511477052
Energy: 0.8280304400205082
Energy: 1.0792377317712443
Energy: 0.8264024296320098
Energy: 0.8303800213924395
Energy: 1.1669815063871374
Energy: 0.8446266062458038
Energy: 0.8580298814745158
Energy: 1.0578680293940497
Energy: 1.0536175621373711
Energy: 0.8586033655268782
Energy: 1.0417095709979305
Energy: 1.0311565575843753
Energy: 1.2094800579970046
Energy: 0.8869971888309993
Energy: 1.0223940210457694
Energy: 1.110509708529526
Energy: 0.9179543517781291
Energy: 1.020739215712185
Energy: 1.203870024676597
Energy: 0.8853120371311326
Energy: 0.8918562805257351
Energy: 1.108595036313978
Energy: 0.8799962985854527
Energy: 0.9713859823511909
Energy: 1.0770678171822632
Energy: 1.061043126731937
Energy: 1.0641365111760046
Energy: 1.2282331273067832
Energy: 1.2906472668233244
Energy: 1.1115250554603362
Energy: 0.9098468380085933
Energy: 1.1344361159131446
Energy: 0.9088193787298658
Energy: 0.9126686596857839
Energy: 1.2250026609166944
Energy: 0.9212800183295525
Energy: 1.2160310716090164
Energy: 1.0808033728031554
Energy: 1.078789519235004
Energy: 1.211661759881028
Energy: 1.369193134752919
Energy: 1.1094232108230166
Energy: 1.2969344716608624
Energy: 1.0586357347330322
Energy: 1.1637009077697518
Energy: 1.3589204369965044
Energy: 1.0681792102473937
Energy: 1.0812999297688388
Energy: 1.415957825930302
Energy: 1.0722700916687111
Energy: 0.9392490822010563
Energy: 1.0905363323247446
Energy: 1.068438041700078
Energy: 1.1082987571154654
Energy: 1.1880804790484838
Energy: 1.2165360288797857
Energy: 1.2004332043601738
Energy: 1.2812305104963972
Energy: 1.2640144875674222
Energy: 1.199720779934535
Energy: 1.2882135747055778
Energy: 1.2837589760191552
Energy: 1.290852232393361
Energy: 1.2903244380998335
Energy: 1.3628062436186144
Energy: 1.2567732540891932
Energy: 1.3812029530465466
Energy: 1.1061680673145393
Energy: 1.1050685770912436
Energy: 1.3811511574025146
Energy: 1.1086555904451585
Energy: 1.1258814626025997
Energy: 1.3851861873064926
Energy: 1.1582542494998374
Energy: 1.1462971958966874
Energy: 1.3323797769906083
Energy: 1.3345862046636066
Energy: 1.2388601748366486
Energy: 1.4733774164886106
Energy: 1.2757354801141156
Energy: 1.0518980175904789
Energy: 1.526323478842082
Energy: 1.3394820818959088
Energy: 1.1203254645983132

minimum gb energy = 0.8264024296320098 eV
minimum distance =  2.54906163749499 Angstroms
sigma value = 43


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

Energy: 1.7210941060753653
Energy: 1.1511103275631962
Energy: 1.0244651676303196
Energy: 1.7229435145420955
Energy: 1.1522970109672597
Energy: 0.9732363976618189
Energy: 1.1776253719293621
Energy: 1.0384911582538918
Energy: 1.0238907348162094
Energy: 1.1067570707625447
Energy: 1.038271842906766
Energy: 1.0161958055806548
Energy: 1.0962604220854928
Energy: 0.937182303365494
Energy: 0.9565008391113481
Energy: 1.0955348175417077
Energy: 0.932918663472401
Energy: 0.9464317992488452
Energy: 0.9987746683005344
Energy: 0.9558864076573075
Energy: 0.9596741288203817
Energy: 0.9996282933645175
Energy: 1.008303320022633
Energy: 0.871424806196633
Energy: 1.0470628076508104
Energy: 0.9037594351886487
Energy: 0.9517557535931894
Energy: 1.010152753957254
Energy: 1.076413465113251
Energy: 0.9666126470786158
Energy: 1.2521450674095274
Energy: 0.8409530165486812
Energy: 0.8086138635071444
Energy: 1.2628922280420654
Energy: 0.8406526670926707
Energy: 0.9498682456910262
Energy: 1.1232299535965558
Energy: 0.8236227909165794
Energy: 0.8942004249118821
Energy: 1.0501835438216807
Energy: 0.8292586520279461
Energy: 1.0197650637516982
Energy: 1.0968225792588477
Energy: 0.9047288164506064
Energy: 0.9165780260322258
Energy: 1.0842725574851617
Energy: 0.9045765042394993
Energy: 0.9101379327035697
Energy: 0.7734800051346143
Energy: 0.9042542748073408
Energy: 0.782215053958452
Energy: 0.7752907011099159
Energy: 1.022441189510369
Energy: 0.7825557655820551
Energy: 0.7967214739518332
Energy: 0.9196282610313296
Energy: 0.9008774131171472
Energy: 0.7822116177844124
Energy: 0.937876676080144
Energy: 0.9019347890479023
Energy: 1.155406111923673
Energy: 0.7541223587803089
Energy: 0.8770607057010286
Energy: 1.2040397051020917
Energy: 0.753957641368616
Energy: 0.8955700619695229
Energy: 1.0238442673481856
Energy: 0.7343088818970033
Energy: 0.7342286212269765
Energy: 0.9979802124567223
Energy: 0.7343932176439089
Energy: 0.8972329286932608
Energy: 1.1504132953081487
Energy: 0.8841265166092691
Energy: 0.9117556430557585
Energy: 0.9848718230202353
Energy: 0.8847328954261212
Energy: 0.9178780239145083
Energy: 0.7128005878164001
Energy: 1.0221608747449977
Energy: 0.7248321961692415
Energy: 0.7149197984364946
Energy: 0.9926360207034899
Energy: 0.7123818770734198
Energy: 0.7294521340215389
Energy: 0.8867692857155294
Energy: 0.8791397490604002
Energy: 0.7347690067471996
Energy: 0.8877900860805322
Energy: 0.9054735883408673
Energy: 0.9793583113832841
Energy: 0.723201758393755
Energy: 0.7192135999965642
Energy: 0.9400514229815894
Energy: 0.7230325014693615
Energy: 0.8719739886573101
Energy: 0.8515651022619399
Energy: 0.7150585498041416
Energy: 0.7149944449424916
Energy: 0.852884588105573
Energy: 0.7150700114582115
Energy: 0.8687821840308281
Energy: 0.9903978029137852
Energy: 0.9385850820265321
Energy: 0.9316972694403861
Energy: 0.9927939122882817
Energy: 1.324234940400831
Energy: 0.9490073863377267
Energy: 0.702241902890176
Energy: 0.9786129114795917
Energy: 0.7020796571957361
Energy: 0.7038282303174959
Energy: 0.9833221859688724
Energy: 0.7021676135760253
Energy: 1.0663124516193112
Energy: 0.9365373374878397
Energy: 0.9421705303139797
Energy: 1.0137838951394327
Energy: 1.4252076934079996
Energy: 0.9587591499389359
Energy: 0.8776646060783982
Energy: 0.7187056564013937
Energy: 0.726383125764345
Energy: 0.8798638731325185
Energy: 0.7263370378831776
Energy: 0.8766267394376461
Energy: 0.8367888207134543
Energy: 0.7329582798717996
Energy: 0.7247272170453188
Energy: 1.029904015966816
Energy: 0.73305142083413
Energy: 0.8888167462563055
Energy: 0.7546778459258192
Energy: 0.9076079541491129
Energy: 0.8760564758287501
Energy: 0.7453011448982017
Energy: 0.9070871610046577
Energy: 0.9143728646580253
Energy: 0.7349322232023118
Energy: 1.0386824223099507
Energy: 0.7467683219162818
Energy: 0.7370428978758998
Energy: 1.0053562110808905
Energy: 0.7406758174072138
Energy: 1.1052942780467
Energy: 0.8898417315772277
Energy: 0.9019097804816628
Energy: 1.0331644098593173
Energy: 0.890246914698237
Energy: 0.9017976529036594
Energy: 1.121558421121741
Energy: 0.770268369510113
Energy: 0.770056064527567
Energy: 1.0081689645829002
Energy: 0.770150433471959
Energy: 0.9273476657871406
Energy: 1.252240616903137
Energy: 0.7887455095068008
Energy: 0.8481269141446551
Energy: 1.2633160920852005
Energy: 0.7887069353788208
Energy: 0.9082411463043156
Energy: 0.973742274277527
Energy: 0.9282139178770409
Energy: 0.9318850561564802
Energy: 0.9647149973537646
Energy: 1.0034116023061137
Energy: 0.9120557611067848
Energy: 0.8347863049983004
Energy: 0.9211767296076377
Energy: 0.8380952748489974
Energy: 0.8364433761283865
Energy: 1.0740176472873448
Energy: 0.8383425170963998
Energy: 1.0743986366496352
Energy: 0.915310059653656
Energy: 0.9328496822341873
Energy: 1.0763725891193356
Energy: 0.914547927108714
Energy: 0.9262500083058236
Energy: 1.2238457666471279
Energy: 0.9269378979557342
Energy: 1.0309341441055269
Energy: 0.9604582296705835
Energy: 0.9327785357035779
Energy: 1.0624435731271424
Energy: 1.3191765947925245
Energy: 0.9386588665825997
Energy: 0.9018132002765153
Energy: 1.3307500505660608
Energy: 0.9392642953907396
Energy: 0.9689715953381197
Energy: 1.0872073065192096
Energy: 0.9922321029317602
Energy: 0.9823075912828808
Energy: 1.060106086183733
Energy: 1.0995021678738597
Energy: 0.9821772512347898
Energy: 1.1435246527044354
Energy: 0.9894332763732326
Energy: 0.9866689949384256
Energy: 1.1531243341042328
Energy: 1.037926097302191
Energy: 0.9874577066545063
Energy: 1.156484171466867
Energy: 0.9402401117330799
Energy: 0.9868323431401724
Energy: 1.1510728470301697
Energy: 0.926942834103889
Energy: 0.9087243323073382
Energy: 1.1985492741067623
Energy: 1.062668238466203
Energy: 0.9903336788919719
Energy: 1.099793429653305
Energy: 1.10520430920404
Energy: 0.9772504923806622

minimum gb energy = 0.7020796571957361 eV
minimum distance =  2.57085272527746 Angstroms
sigma value = 81


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

Energy: 0.07516206488583291
Energy: 0.07670005735262661
Energy: 0.07614048261132624
Energy: 0.07802737128579318
Energy: 0.07965813633072588
Energy: 0.07609903801743348
Energy: 0.12498203162364324
Energy: 0.07631346866817171
Energy: 0.07651464580321388
Energy: 0.12481444778428959
Energy: 0.08028363225824109
Energy: 0.07641823022030388
Energy: 0.12237602382893938
Energy: 0.076059109191305
Energy: 0.07634151468355654
Energy: 0.12205682878141591
Energy: 0.07576927592086544
Energy: 0.12380129140671757
Energy: 0.07926434031199063
Energy: 0.07605692287092873
Energy: 0.07526324327599662
Energy: 0.07873614117765577
Energy: 0.07601838035880164
Energy: 0.12483089280112007
Energy: 0.12404089887746539
Energy: 0.12224496513401215
Energy: 0.12247036309793898
Energy: 0.12540473889431025
Energy: 0.1221182190305242
Energy: 0.12432919162582394
Energy: 0.07678719006747453
Energy: 0.07617020526315002
Energy: 0.0762669885102286
Energy: 0.07887277655275168
Energy: 0.07646615903915152
Energy: 0.07622626368773999
Energy: 0.1221317914421717
Energy: 0.07642557342796165
Energy: 0.07700373264906663
Energy: 0.12239644558192282
Energy: 0.07617996245786049
Energy: 0.07650902834432816
Energy: 0.1221526307883112
Energy: 0.0768153813149024
Energy: 0.07599115185560724
Energy: 0.12208039373094638
Energy: 0.07569135092419901
Energy: 0.1266386405852701
Energy: 0.07731220544744702
Energy: 0.07607277644635309
Energy: 0.12751477917966697
Energy: 0.07846539957837032
Energy: 0.07587139390841932
Energy: 0.12591854463829205
Energy: 0.07524274657292743
Energy: 0.1220942219577703
Energy: 0.12218543735848587
Energy: 0.07524285342831502
Energy: 0.12211560357219804
Energy: 0.1225429988135163

minimum gb energy = 0.07516206488583291 eV
minimum distance =  2.74511593087759 Angstroms
sigma value = 3


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

Energy: 1.7736475126842572
Energy: 1.0938025229560704
Energy: 1.0359740104368027
Energy: 1.7758132417703194
Energy: 1.1033070130542888
Energy: 1.0453440774496903
Energy: 1.090655997469653
Energy: 1.0367750569927088
Energy: 1.0314404493689795
Energy: 1.0525340582994853
Energy: 1.0400598962263454
Energy: 1.0663732925632852
Energy: 1.035689385439896
Energy: 1.0408736712527051
Energy: 1.0410195848623551
Energy: 1.0354308079634904
Energy: 1.0412576563114027
Energy: 0.9692629849615625
Energy: 0.9849002619437242
Energy: 1.0477770846083347
Energy: 1.0492398855393226
Energy: 0.9859773278625201
Energy: 1.0095078644201319
Energy: 1.1455532500157566
Energy: 0.9620724951181676
Energy: 1.0451390562952758
Energy: 1.0658460740407505
Energy: 0.962305865399077
Energy: 1.0493740695795681
Energy: 1.0660299837121805
Energy: 1.7003690174939798
Energy: 1.0723458208386807
Energy: 1.0409222047045439
Energy: 1.3803035945762534
Energy: 1.0140619997875662
Energy: 1.003270165779258
Energy: 0.9503640684696595
Energy: 0.9601524849498817
Energy: 0.8879557684299518
Energy: 0.9525761792635047
Energy: 0.9859374195520698
Energy: 1.0823248468330342
Energy: 0.937289686692934
Energy: 0.97049920870824
Energy: 0.9725444792037745
Energy: 0.9375947664840938
Energy: 0.9533765603498012
Energy: 0.9599346065271193
Energy: 1.1434302609203109
Energy: 0.994385190812935
Energy: 1.0635284712824655
Energy: 1.1451809285398376
Energy: 0.9009036863761289
Energy: 1.0416862897789825
Energy: 0.9723419081947725
Energy: 0.8482961472357221
Energy: 0.8505255097105764
Energy: 0.9402739776870848
Energy: 0.8527546313269622
Energy: 0.9087318081071392
Energy: 1.3634534090792099
Energy: 0.9649986395522339
Energy: 0.978281554986388
Energy: 0.9911737349329636
Energy: 0.9498164651985587
Energy: 0.9407872818446259
Energy: 0.7980706665226505
Energy: 1.006883799315163
Energy: 0.9898573721542682
Energy: 0.7980466732024982
Energy: 1.0399702729885631
Energy: 0.8475535506631797
Energy: 0.7939477489401777
Energy: 0.9392191571690708
Energy: 0.9322958029986991
Energy: 0.7940104464411037
Energy: 0.9300639154518728
Energy: 0.931834144474473
Energy: 1.2362878786346996
Energy: 0.9600342536045855
Energy: 0.9464785675663759
Energy: 1.0388460190830786
Energy: 0.8840443733333552
Energy: 0.9403013462189093
Energy: 0.9697201208943914
Energy: 0.7601874582707709
Energy: 0.7603703208702048
Energy: 0.8483097095025832
Energy: 0.7644891520346714
Energy: 0.8436082777381597
Energy: 0.8762368420083061
Energy: 0.9301441276147039
Energy: 0.9321995002692187
Energy: 0.8901402160874285
Energy: 0.8940046149064518
Energy: 0.9224582784327404
Energy: 0.7467737821267377
Energy: 0.9261541372315663
Energy: 0.9289629654011566
Energy: 0.7470079502517151
Energy: 0.8929491853344688
Energy: 0.7959069604706853
Energy: 0.745141797435819
Energy: 0.9521645027138271
Energy: 0.9560956337183397
Energy: 0.7453268322054506
Energy: 1.2953323217476695
Energy: 0.9520558618693914
Energy: 1.2978851867174246
Energy: 0.8897886852302048
Energy: 0.927303842637727
Energy: 1.0783333937105477
Energy: 0.8954787961653445
Energy: 0.9272449066001632
Energy: 0.9396938496170111
Energy: 0.7409781063711848
Energy: 0.7460032658780437
Energy: 0.84127918331588
Energy: 0.7461667183986387
Energy: 0.796238069651551
Energy: 0.8687068269711675
Energy: 0.9660379757677885
Energy: 0.9695155889124837
Energy: 0.8906379397982249
Energy: 0.8784179055083532
Energy: 0.9678916974678513
Energy: 0.763518333275163
Energy: 0.9066511161404461
Energy: 0.92188841682359
Energy: 0.7651978839482011
Energy: 0.9085152966305667
Energy: 0.7603842737630151
Energy: 0.7681976315546785
Energy: 1.0248153271463756
Energy: 1.0233910454198965
Energy: 0.7680861062293489
Energy: 0.9328286666828506
Energy: 0.9551957665260439
Energy: 1.4790164025397758
Energy: 0.7938815626515945
Energy: 0.947635283431142
Energy: 1.479993637801104
Energy: 0.7936298573279537
Energy: 0.9489012386233887
Energy: 0.947055037055432
Energy: 0.7934904301074124
Energy: 0.8473976813167484
Energy: 0.9302160769836894
Energy: 0.7940200724497452
Energy: 0.8476859144822309
Energy: 0.9467591481930565
Energy: 0.9737990420292761
Energy: 0.9734477875117241
Energy: 0.9486787166257837
Energy: 0.9417037037145775
Energy: 1.0150082509992744
Energy: 0.8508269588614101
Energy: 0.9746873426943441
Energy: 0.9787223985245509
Energy: 0.8529727928866807
Energy: 0.9023635970940493
Energy: 0.8499299415712099
Energy: 0.8186551201887331
Energy: 1.039642170854958
Energy: 1.0426542146780269
Energy: 0.819467729470994
Energy: 1.0564808224839601
Energy: 0.9549697801652008
Energy: 1.3850667205634648
Energy: 0.9365200774629642
Energy: 0.9904659222502037
Energy: 1.2991931168927953
Energy: 0.9364340699747513
Energy: 0.970367551952915
Energy: 0.9859503880790721
Energy: 0.9725393529847352
Energy: 0.9922564655198043
Energy: 0.9865107407973908
Energy: 0.9790257245375955
Energy: 1.040258458238046
Energy: 0.9553382987895759
Energy: 0.9927550795307071
Energy: 0.992697703895388
Energy: 0.9555879002961115
Energy: 0.9695118619407629
Energy: 0.9959942419173052
Energy: 1.0449021817001019
Energy: 1.012150295644262
Energy: 1.0552829527117682
Energy: 1.0470873548909634
Energy: 1.0095376939918992
Energy: 1.065768248046549
Energy: 1.0049455351962404
Energy: 0.9821575001470896
Energy: 0.9824323885885928
Energy: 1.0305004759568026
Energy: 0.9858083103855836
Energy: 1.0879582697403136

minimum gb energy = 0.7409781063711848 eV
minimum distance =  2.52031513957735 Angstroms
sigma value = 67


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

Energy: 1.6827343402879085
Energy: 1.6077678614183497
Energy: 1.1802019889980258
Energy: 1.678664518636983
Energy: 1.6044576412170088
Energy: 1.248081843325463
Energy: 1.2666830349724605
Energy: 1.1887406202622963
Energy: 1.1946417330744066
Energy: 1.2363187553440609
Energy: 1.1906939430221943
Energy: 1.2464433295544854
Energy: 1.211062448985503
Energy: 1.2224901973853741
Energy: 1.3452832412501323
Energy: 1.2125543564892804
Energy: 1.1377892614677252
Energy: 1.248044787152363
Energy: 1.0897328040858125
Energy: 1.3517739813411127
Energy: 1.3652517628019694
Energy: 1.089969867707722
Energy: 1.156260688042796
Energy: 1.3686971402852819
Energy: 1.0467515345567693
Energy: 1.2353125288055795
Energy: 1.2399997259164388
Energy: 1.047009614274047
Energy: 1.2129531584952293
Energy: 1.2573877111310754
Energy: 1.480937661258617
Energy: 1.2621294995672812
Energy: 1.2391254310826856
Energy: 1.5496547647816314
Energy: 1.28029243590859
Energy: 1.2434324550906475
Energy: 1.0603639421475095
Energy: 1.199178403172828
Energy: 1.2416347992018155
Energy: 1.0616769619950661
Energy: 1.1883333725083731
Energy: 1.1450062813407498
Energy: 1.0620182441683776
Energy: 1.1350087752977822
Energy: 1.1324742151856542
Energy: 1.063701901860963
Energy: 1.1388295206715053
Energy: 1.1863372299929125
Energy: 1.363722180328562
Energy: 1.1791877003370868
Energy: 1.2080786534111478
Energy: 1.1987042822165939
Energy: 1.0148111376611682
Energy: 1.196315362692669
Energy: 1.1411687573210265
Energy: 0.9599681989301884
Energy: 0.9542810559803655
Energy: 1.1384567563316395
Energy: 0.9559737009954957
Energy: 1.0613327223390832
Energy: 1.087672583445859
Energy: 1.1056173242467038
Energy: 1.1364767316403228
Energy: 1.1251878804059288
Energy: 1.0726028125998877
Energy: 1.1374013176808588
Energy: 0.9156616590725266
Energy: 1.1798374475709719
Energy: 1.1504686735032794
Energy: 0.9172496008180135
Energy: 1.2707089172824497
Energy: 0.9814865449035759
Energy: 0.9147533672111059
Energy: 1.1653958508062638
Energy: 1.1529828199337147
Energy: 0.9163237631287543
Energy: 1.4072475964452613
Energy: 1.0108260404040441
Energy: 1.0587644458829966
Energy: 1.1195242837308748
Energy: 1.1111295304873734
Energy: 1.094079112134896
Energy: 1.0463736130608732
Energy: 1.106319790751617
Energy: 1.0947843236306125
Energy: 0.9119053596247162
Energy: 0.919801708929893
Energy: 1.0945781921380922
Energy: 0.9075359975724698
Energy: 0.9913566000962292
Energy: 1.2278441489502765
Energy: 1.1272998072978164
Energy: 1.1245151502209567
Energy: 1.0629809821486937
Energy: 1.0336894334103521
Energy: 1.1537457652677416
Energy: 0.9567506908955373
Energy: 1.1142043593714501
Energy: 1.1405972622508216
Energy: 0.9581710816574522
Energy: 1.112129021206168
Energy: 1.0954304909586032
Energy: 0.95684207475562
Energy: 1.211865939543141
Energy: 1.205309556281247
Energy: 0.9572423737984849
Energy: 1.2116785086085704
Energy: 1.07654130809543
Energy: 1.4782934341523395
Energy: 1.1393537145591266
Energy: 1.1863412528492145
Energy: 1.4324316481825359
Energy: 1.134846296824597
Energy: 1.1631477261831773
Energy: 1.135971696327464
Energy: 1.1058671463140017
Energy: 1.1473981628639247
Energy: 1.0721960958490266
Energy: 1.0660935541148202
Energy: 1.13469641828969
Energy: 1.2104527206854585
Energy: 1.2515109765400059
Energy: 1.2619729487878404
Energy: 1.2126894966686343
Energy: 1.1251356895224809
Energy: 1.2574289931480918
Energy: 1.2162773747319222
Energy: 1.1853857748261951
Energy: 1.2414668903984833
Energy: 1.217792285013938
Energy: 1.116018809992313
Energy: 1.1906361966948578
Energy: 1.167026125606801
Energy: 1.14242807029459
Energy: 1.1945293185017303
Energy: 1.1002934655698642
Energy: 1.1384315396517435
Energy: 1.2459112280596825

minimum gb energy = 0.9075359975724698 eV
minimum distance =  2.49772165643921 Angstroms
sigma value = 33


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

Energy: 1.8269210531519837
Energy: 1.4328216643319913
Energy: 1.5702807785202235
Energy: 1.831006761940097
Energy: 1.4403471563394128
Energy: 1.3086437556083619
Energy: 1.3052791428765544
Energy: 1.2601188195624635
Energy: 1.2663547005671456
Energy: 1.304884974663991
Energy: 1.2607835257504112
Energy: 1.3168641568031667
Energy: 1.3014440327505172
Energy: 1.440591250305674
Energy: 1.430303600067858
Energy: 1.303340448770649
Energy: 1.4302371448559816
Energy: 1.334867117263812
Energy: 1.1486284120559027
Energy: 1.4691361307960664
Energy: 1.4729144910381344
Energy: 1.150442835416207
Energy: 1.1889343808379482
Energy: 1.4722011373231496
Energy: 1.0936717740513453
Energy: 1.3134057574733258
Energy: 1.337770530359134
Energy: 1.0927404958888118
Energy: 1.338763655487033
Energy: 1.3336763519681474
Energy: 1.6915998353591692
Energy: 1.3935948887720218
Energy: 1.4226929791807126
Energy: 1.693897243366792
Energy: 1.3962532752170755
Energy: 1.29733554844439
Energy: 1.0935797656449602
Energy: 1.293216801870329
Energy: 1.3207131254774513
Energy: 1.0929895010125164
Energy: 1.2925008061664993
Energy: 1.2135251391776212
Energy: 1.1111705285397124
Energy: 1.2770512407056462
Energy: 1.2593376938074137
Energy: 1.1129735365801423
Energy: 1.276864170012407
Energy: 1.1641191490601703
Energy: 1.3143262514353666
Energy: 1.255892456198802
Energy: 1.2524867022757344
Energy: 1.3167431234477252
Energy: 1.0722692240386065
Energy: 1.2512060172085273
Energy: 1.239100405464985
Energy: 1.0107024745175015
Energy: 1.0101921255389126
Energy: 1.1797655669636877
Energy: 1.0135399733210926
Energy: 1.1397137726710571
Energy: 1.1863065499328855
Energy: 1.186179543136606
Energy: 1.2187424747418933
Energy: 1.1775016478628388
Energy: 1.1320897107211323
Energy: 1.2332727535989376
Energy: 1.0171698816717767
Energy: 1.2778956042580962
Energy: 1.2772516894626211
Energy: 1.018920678507257
Energy: 1.3740988589004244
Energy: 1.1226544972032608
Energy: 1.0187605579538128
Energy: 1.3144751260748795
Energy: 1.304401011812479
Energy: 1.0102045362708272
Energy: 1.3386634584371258
Energy: 1.1516103939802398
Energy: 1.4257099243915277
Energy: 1.1944162353373895
Energy: 1.261636626480055
Energy: 1.4064212452897564
Energy: 1.1883601229183967
Energy: 1.2415601220668406
Energy: 1.16945624261813
Energy: 1.1771265879317652
Energy: 1.1752849627783137
Energy: 1.1823131277259131
Energy: 1.113365457304641
Energy: 1.2240321930691758
Energy: 1.2967903435317216
Energy: 1.3013729881663443
Energy: 1.3041967185555632
Energy: 1.2991743746355766
Energy: 1.0314670002343906
Energy: 1.252219116530113
Energy: 1.3119193800348994
Energy: 1.3152450466980836
Energy: 1.322796926260155
Energy: 1.3051474765110815
Energy: 1.3150971962511588
Energy: 1.2545251093039538
Energy: 1.308532416128208
Energy: 1.1991072365845568
Energy: 1.2586843926857334
Energy: 1.3104577090232685
Energy: 1.2147248143119322
Energy: 1.29737330974122
Energy: 1.828207370203799
Energy: 1.3698548120970024
Energy: 1.5431265697372356
Energy: 1.8309420228322169
Energy: 1.3669010089622453
Energy: 1.3325925904069962
Energy: 1.1516904310460483
Energy: 1.2597730977460988
Energy: 1.2589202090617082
Energy: 1.1517566803255517
Energy: 1.2604734824795745
Energy: 1.2586295541907615
Energy: 1.2979122713683882
Energy: 1.3390652127137674
Energy: 1.3397234472475539
Energy: 1.2649842266338642
Energy: 1.3087919669621946
Energy: 1.334946003245237
Energy: 1.1902451873415691
Energy: 1.443859651700052
Energy: 1.4500625724460385
Energy: 1.1795964950477706
Energy: 1.468944649927063
Energy: 1.4721099257253045
Energy: 1.0930543504871755
Energy: 1.3363164073371618
Energy: 1.3407608517640275
Energy: 1.0930708552766983
Energy: 1.3391401761005808
Energy: 1.3339031749713377
Energy: 1.6879641022205747
Energy: 1.4184607801697438
Energy: 1.4220773470059596
Energy: 1.6890098746108033
Energy: 1.3585232325242895
Energy: 1.2832219849794768
Energy: 1.0927991771997845
Energy: 1.292111060007336
Energy: 1.319963292992025
Energy: 1.0931051246589278
Energy: 1.2902536150826278
Energy: 1.2604104869143058
Energy: 1.1079734787508404
Energy: 1.2771038977936002
Energy: 1.2853758251153622
Energy: 1.1099305375849748
Energy: 1.276534022224218
Energy: 1.1641350331775937
Energy: 1.3120014626500538
Energy: 1.2509293445728682
Energy: 1.296450878723149
Energy: 1.1857354487828198
Energy: 1.072686349402816
Energy: 1.32933283187784
Energy: 1.3173019081633155
Energy: 1.0186955152197297
Energy: 1.015375227427603
Energy: 1.2139385939974858
Energy: 1.0118483943935248
Energy: 1.1398021562613805
Energy: 1.4585931510022174
Energy: 1.195816346326646
Energy: 1.2207550082694885
Energy: 1.4576629586493812
Energy: 1.1296468096000931
Energy: 1.2355406592200335
Energy: 1.0102050410009897
Energy: 1.277807763130532
Energy: 1.292729829882611
Energy: 1.0101794228684267
Energy: 1.3537705528873525
Energy: 1.1730161120059484
Energy: 1.0136694979467427
Energy: 1.3520520053692726
Energy: 1.1513959859858636
Energy: 1.0154015170291273
Energy: 1.3325393335998612
Energy: 1.1149830964739766
Energy: 1.3816921339936052
Energy: 1.2563345525904182
Energy: 1.2602895185091898
Energy: 1.2226645796912439
Energy: 1.1893974059506218
Energy: 1.240486495071871
Energy: 1.1698766372914398
Energy: 1.1170600945552367
Energy: 1.1707888485844198
Energy: 1.1422530491262906
Energy: 1.1110094518786533
Energy: 1.2299991329231639
Energy: 1.2955304313727922
Energy: 1.2787478765227436
Energy: 1.2095825700118084
Energy: 1.2974497698455945
Energy: 1.0313586848927532
Energy: 1.2107443532897215
Energy: 1.3050838356880938
Energy: 1.3153621522430765
Energy: 1.3152260328770846
Energy: 1.3049746471567716
Energy: 1.401779737107779
Energy: 1.3135860236583918
Energy: 1.3057482980215125
Energy: 1.1991913062205872
Energy: 1.3171038355627518
Energy: 1.295797747669851
Energy: 1.2079300473787236
Energy: 1.3171706965941528
Energy: 1.4728901438815019
Energy: 1.3698040425066387
Energy: 1.5544136935816937
Energy: 1.591262723021345
Energy: 1.375004685232721
Energy: 1.3631423873268114

minimum gb energy = 1.0101794228684267 eV
minimum distance =  2.5379036100752 Angstroms
sigma value = 41


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

Energy: 1.6378487141396816
Energy: 1.5908008979372326
Energy: 1.6896451313473833
Energy: 1.6420844573871751
Energy: 2.0060678724660166
Energy: 1.6925102365305735
Energy: 1.3595745545271176
Energy: 1.3265792316095981
Energy: 1.3221964757533518
Energy: 1.3549128954131762
Energy: 1.3261914693121584
Energy: 1.399413000748398
Energy: 1.2711183780659254
Energy: 1.5492315596012949
Energy: 1.5457635826477623
Energy: 1.4364998103743032
Energy: 1.3240821069120208
Energy: 1.416023565086126
Energy: 1.4164295074745235
Energy: 1.5678997521306925
Energy: 1.5942747600993683
Energy: 1.4071535795501051
Energy: 1.5095284395108557
Energy: 1.3257482428478695
Energy: 1.1427401355468736
Energy: 1.4216328708266641
Energy: 1.5352784878655255
Energy: 1.142786767002519
Energy: 1.421806918059354
Energy: 1.54192485456352
Energy: 1.5102743369530185
Energy: 1.4749550264282296
Energy: 1.5373223714915134
Energy: 1.512055756807019
Energy: 1.4981646486429403
Energy: 1.5426626787509037
Energy: 1.1437165148838988
Energy: 1.36217261202516
Energy: 1.389289768615055
Energy: 1.1436894542633818
Energy: 1.3268983897858087
Energy: 1.2940402929403785
Energy: 1.1559704957842791
Energy: 1.3806314903195724
Energy: 1.3117335501256062
Energy: 1.1578248318662163
Energy: 1.52291658727223
Energy: 1.2303680893904878
Energy: 1.516565876696563
Energy: 1.3772087621218334
Energy: 1.367994328745645
Energy: 1.5180885241183844
Energy: 1.2307947113279731
Energy: 1.3697502598224653
Energy: 1.3383322530216784
Energy: 1.2422948067543187
Energy: 1.2491326801471359
Energy: 1.282345322187272
Energy: 1.1606735685373477
Energy: 1.2500100307126965
Energy: 1.4315851718091233
Energy: 1.3801500491011762
Energy: 1.3775797161356773
Energy: 1.4334392466531825
Energy: 1.0982974966733372
Energy: 1.2941755545160916
Energy: 1.2711396150845846
Energy: 1.4026296125990203
Energy: 1.4262342399368895
Energy: 1.3060137022549152
Energy: 1.5423370570083257
Energy: 1.4087590834186448
Energy: 1.353747117811509
Energy: 1.2320937069808373
Energy: 1.3779692197070996
Energy: 1.3558203543117857
Energy: 1.2716292721037423
Energy: 1.3979277100190215
Energy: 1.7587823028944145
Energy: 1.4570311841998962
Energy: 1.6816229377991652
Energy: 1.653178972527595
Energy: 1.4420679570879178
Energy: 1.6777451523224503

minimum gb energy = 1.0982974966733372 eV
minimum distance =  2.50711601029055 Angstroms
sigma value = 11


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

Energy: 2.0298703576639556
Energy: 1.5746316210972737
Energy: 1.515329667642505
Energy: 2.0321018133160034
Energy: 1.574251192267931
Energy: 1.7393155145615138
Energy: 1.5417339749144694
Energy: 1.2319945278499758
Energy: 1.2596722968818364
Energy: 1.5472909084485713
Energy: 1.2662002572643134
Energy: 1.3538674355896914
Energy: 1.7365268905484164
Energy: 1.6959903054820766
Energy: 1.6796101032548998
Energy: 1.7305969676212432
Energy: 1.6985618602684447
Energy: 1.617367538009714
Energy: 1.6450454059079334
Energy: 1.5657059373771889
Energy: 1.5117540405425192
Energy: 1.6472589227235674
Energy: 1.3064843302284603
Energy: 1.5013122030187895
Energy: 1.4115586364597459
Energy: 1.3128964414249717
Energy: 1.2979998140539522
Energy: 1.316198565603136
Energy: 1.3145312522057746
Energy: 1.4123091644339296
Energy: 1.512305278530808
Energy: 1.333125410807805
Energy: 1.4369164294048002
Energy: 1.5076342348856944
Energy: 1.3000207315505974
Energy: 1.4387712554878105
Energy: 1.3040644283500171
Energy: 1.4320474021101637
Energy: 1.4487484056587676
Energy: 1.306260136288112
Energy: 1.4228669225042345
Energy: 1.4473954693680389
Energy: 1.2382374011391948
Energy: 1.3406917814096557
Energy: 1.3702877482397622
Energy: 1.2404743404422787
Energy: 1.308420358520539
Energy: 1.3547122965170633
Energy: 1.49943875780229
Energy: 1.5830091249739675
Energy: 1.6143881148716412
Energy: 1.4990021507516889
Energy: 1.6201383019808078
Energy: 1.745635479076288
Energy: 1.4743829889231035
Energy: 1.625069362644612
Energy: 1.6291053319981414
Energy: 1.2540098731760627
Energy: 1.6800029459279096
Energy: 1.7460576640616279
Energy: 1.3728311802527826
Energy: 1.374296267447588
Energy: 1.451240253713788
Energy: 1.3754102685621372
Energy: 1.4587615040709347
Energy: 1.34018614578051
Energy: 1.3266367222329756
Energy: 1.8569691632891034
Energy: 1.7713496752962588
Energy: 1.32556495690377
Energy: 1.9276629044191185
Energy: 1.7747543080514827
Energy: 1.2031924059124757
Energy: 1.5050469829227204
Energy: 1.4869496479922948
Energy: 1.2032603342317645
Energy: 1.6059228419527616
Energy: 1.4440126391220591
Energy: 1.725157096716262
Energy: 1.634556496725655
Energy: 1.631484362391286
Energy: 1.7116348880965078
Energy: 1.6338305013445429
Energy: 1.665331513955235
Energy: 1.2047241053919957
Energy: 1.3793661027416708
Energy: 1.4246944263709345
Energy: 1.2045527056126577
Energy: 1.5957118306277183
Energy: 1.4286524616145913
Energy: 1.225712550185761
Energy: 1.3636647679729637
Energy: 1.3811340100007392
Energy: 1.2282315430983444
Energy: 1.3807852434619678
Energy: 1.2904845383548704
Energy: 1.2304901476375256
Energy: 1.3825436817597485
Energy: 1.4094370749937808
Energy: 1.2303010152998382
Energy: 1.3718961736590058
Energy: 1.3887809317404105
Energy: 1.6041266267226124
Energy: 1.43217418349319
Energy: 1.4318488134473808
Energy: 1.597835175901232
Energy: 1.4411448979246573
Energy: 1.5019816033928866
Energy: 1.2452085343225265
Energy: 1.3619617607975307
Energy: 1.3982771110410737
Energy: 1.2451809581764164
Energy: 1.3578356383484658
Energy: 1.3588848529020305
Energy: 1.4236521086747391
Energy: 1.7884151598152378
Energy: 1.7345802069336935
Energy: 1.448427564764001
Energy: 1.8296962267158243
Energy: 1.5088195690683563
Energy: 1.4361740726336945
Energy: 1.6178749277619013
Energy: 1.4827403498381846
Energy: 1.4900160573472914
Energy: 1.295257742854323
Energy: 1.4194656692089522
Energy: 1.2651195280490177
Energy: 1.335486012311462
Energy: 1.3912342536829545
Energy: 1.2653814371059136
Energy: 1.403936448504921
Energy: 1.419392745748202
Energy: 1.8680225456414417
Energy: 1.4238159002576312
Energy: 1.6450443624701228
Energy: 1.8406866779823825
Energy: 1.4532731824240246
Energy: 1.6205728570883553
Energy: 1.4005591914036788
Energy: 1.2664743513963388
Energy: 1.3336745119709403
Energy: 1.401852198032309
Energy: 1.2350066037999148
Energy: 1.3919762560777162
Energy: 1.4330828562152382
Energy: 1.6247672540104496
Energy: 1.5597703533698397
Energy: 1.440177976777629
Energy: 1.5198731255095934
Energy: 1.5569898614996323
Energy: 1.5026340362989195
Energy: 1.3446081240992036
Energy: 1.3995804651001655
Energy: 1.3760155680445825
Energy: 1.2240054065846986
Energy: 1.4097417555387406
Energy: 1.4473389100059104
Energy: 1.2402939788948668
Energy: 1.2404026346978454
Energy: 1.3811242612378496
Energy: 1.2431125400237129
Energy: 1.3313882066477165
Energy: 1.6025061123009037
Energy: 1.378839374853534
Energy: 1.4073733106911945
Energy: 1.5407512261871112
Energy: 1.237015623417434
Energy: 1.421170135377679
Energy: 1.6270287021596663
Energy: 1.6372949597212614
Energy: 1.6164503764443552
Energy: 1.6302254325361751
Energy: 1.6026960924864682
Energy: 1.5544051594121922
Energy: 1.5533178295083838
Energy: 1.2194383459178584
Energy: 1.2950680214227128
Energy: 1.5430536999219515
Energy: 1.219464114617581
Energy: 1.4007722813394998
Energy: 2.041025798826961
Energy: 1.3153449878340875
Energy: 1.6658484344522466
Energy: 2.0450604959884155
Energy: 1.315312767121494
Energy: 1.51140506332917

minimum gb energy = 1.2031924059124757 eV
minimum distance =  2.50944497836299 Angstroms
sigma value = 57


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

Energy: 1.8302094793403874
Energy: 1.3876117438015563
Energy: 1.628292898240316
Energy: 1.8341982848682072
Energy: 2.1147668437032965
Energy: 1.7500617174177322
Energy: 1.248498094828079
Energy: 1.364104358473991
Energy: 1.3775765273055092
Energy: 1.2499643366059427
Energy: 1.311594372635312
Energy: 1.3674026118594613
Energy: 1.3094161324407811
Energy: 1.5290437680159816
Energy: 1.4278793604320235
Energy: 1.3096329732530716
Energy: 1.523472035913113
Energy: 1.3688455808747155
Energy: 1.4079683136063281
Energy: 1.452718479483077
Energy: 1.3126288758478752
Energy: 1.409530659033925
Energy: 1.7576438323569772
Energy: 1.3136057088489457
Energy: 1.3270319710536351
Energy: 1.3694802989757653
Energy: 1.553810976837264
Energy: 1.29263211642271
Energy: 1.3542736177390733
Energy: 1.536596536089602
Energy: 1.5152718357573065
Energy: 1.5088111564310949
Energy: 1.552153928291924
Energy: 1.5172957273987107
Energy: 1.510809405085795
Energy: 1.5504345608198797
Energy: 1.3255413777107135
Energy: 1.1791322725872884
Energy: 1.3378556049760864
Energy: 1.327461558449834
Energy: 1.1837804042576154
Energy: 1.4808117597724253
Energy: 1.312810653836655
Energy: 1.3541208318852445
Energy: 1.426646353245137
Energy: 1.2798509301566876
Energy: 1.3124110443058417
Energy: 1.3149273585752486
Energy: 1.100046360085467
Energy: 1.3931360078041783
Energy: 1.617534660369444
Energy: 1.393525792398393
Energy: 1.3954968867250186
Energy: 1.6205640052741646
Energy: 1.0996296302671877
Energy: 1.431470982420605
Energy: 1.6180887217473618
Energy: 1.2244852855895192
Energy: 1.4309662332721718
Energy: 1.6211594600180548
Energy: 1.3124841073612092
Energy: 1.456555177204786
Energy: 1.4272415730000785
Energy: 1.2800134266077092
Energy: 1.360417545185298
Energy: 1.314899172784515
Energy: 1.3960769925551944
Energy: 1.512935706925977
Energy: 1.506450682901087
Energy: 1.334639168590534
Energy: 1.5064719897780465
Energy: 1.8792850031719477
Energy: 1.3303857409696354
Energy: 1.4344405598900087
Energy: 1.4140059721900908
Energy: 1.1527340816061924
Energy: 1.4289672617747422
Energy: 1.4156280072015897
Energy: 1.708295462432234
Energy: 1.3262992068986885
Energy: 1.5520065401869296
Energy: 1.6520913864596745
Energy: 1.3281550639988977
Energy: 1.5554468598110633
Energy: 1.3258189943368446
Energy: 1.198763872881256
Energy: 1.4507497850586955
Energy: 1.3431926873980218
Energy: 1.4448754290020804
Energy: 1.4298505416499843
Energy: 1.293937373834902
Energy: 1.1993221595820898
Energy: 1.3055699820102342
Energy: 1.2960929372486285
Energy: 1.202701335928994
Energy: 1.3796745220930684
Energy: 1.0997512155281695
Energy: 1.217680998338949
Energy: 1.3002803683569548
Energy: 1.0999235340714655
Energy: 1.2196487707408672
Energy: 1.3678437037302815

minimum gb energy = 1.0996296302671877 eV
minimum distance =  2.52937804401696 Angstroms
sigma value = 9


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

Energy: 2.06009691554344
Energy: 2.0012173211829656
Energy: 1.7278962271329827
Energy: 2.064105389524515
Energy: 2.1330127882083705
Energy: 1.8811316184160314
Energy: 1.568591158462873
Energy: 1.532685523605301
Energy: 1.4745514281536347
Energy: 1.5667520876381702
Energy: 1.513857740610197
Energy: 1.4827397849643558
Energy: 1.5120559092467216
Energy: 1.515073937816718
Energy: 1.5533390405608543
Energy: 1.5136342799583862
Energy: 1.5207548343360977
Energy: 1.5398845774833638
Energy: 1.5080147029702504
Energy: 1.4744949348428036
Energy: 1.438503342983267
Energy: 1.5098661905924455
Energy: 1.434406171987767
Energy: 1.4517511199758477
Energy: 1.4107684344210292
Energy: 1.3624236537221308
Energy: 1.4062902769468573
Energy: 1.4108513675491576
Energy: 1.3482612686981794
Energy: 1.3941750808800297
Energy: 1.3296961029334993
Energy: 1.3671058725610226
Energy: 1.3404752206021133
Energy: 1.3142680627223218
Energy: 1.356000862745521
Energy: 1.3675527036668214
Energy: 1.4872217313939982
Energy: 1.6445761197332587
Energy: 1.4125876706604814
Energy: 1.4700395837889286
Energy: 1.6457116018340894
Energy: 1.4139699619644248
Energy: 1.480222768856828
Energy: 1.4147565644574325
Energy: 1.4532117186131988
Energy: 1.4815991812927154
Energy: 1.5113284957352509
Energy: 1.4674927759790908
Energy: 1.773822970979495
Energy: 1.4939941224058602
Energy: 1.525793508554863
Energy: 1.777665927633463
Energy: 1.5643543718146968
Energy: 1.5546700535071907
Energy: 1.805085269672159
Energy: 1.489431843977096
Energy: 1.5307113942574218
Energy: 1.571992397330597
Energy: 1.4840483151854118
Energy: 1.5686361497547663
Energy: 1.4232494014933932
Energy: 1.4242435295440357
Energy: 1.39515840112019
Energy: 1.424672542400349
Energy: 1.4004807680233318
Energy: 1.384387876275805
Energy: 1.3614958936080248
Energy: 1.4334134334715822
Energy: 1.4049194194071588
Energy: 1.360305795890894
Energy: 1.3969069906532405
Energy: 1.4304172191378899
Energy: 1.6980262370526433
Energy: 1.4386034874120746
Energy: 1.4878152253830523
Energy: 1.606205404114996
Energy: 1.4546892845738248
Energy: 1.625228562788797
Energy: 1.6207720792071105
Energy: 1.5269673869314355
Energy: 1.5623201200752759
Energy: 1.6237944514340346
Energy: 1.5518136995929115
Energy: 1.5483292045825727
Energy: 1.5828176198986619
Energy: 1.5794485893589436
Energy: 1.588732205497865
Energy: 1.5839886376156191
Energy: 1.6235377919891567
Energy: 1.5152702751625584
Energy: 1.669031885625423
Energy: 1.7428134772328105
Energy: 1.5507013949174286
Energy: 1.6696128880324228
Energy: 1.7699034324029672
Energy: 1.5385322709732971
Energy: 1.5506329577322369
Energy: 1.5080054922635762
Energy: 1.50888780618678
Energy: 1.423127916773338
Energy: 1.4985850221633172
Energy: 1.5122835861786634
Energy: 1.5507223290586818
Energy: 1.4185746416985328
Energy: 1.5169726493517819
Energy: 1.5505336843264934
Energy: 1.4251667517411881
Energy: 1.5490061829166373
Energy: 1.4594598891711619
Energy: 1.522962594243145
Energy: 1.577437550873445
Energy: 1.461110970349065
Energy: 1.406181840251339
Energy: 1.5772534386821349
Energy: 1.5012438184046792
Energy: 1.5163445624093055
Energy: 1.517090732679233
Energy: 1.5017307377280253
Energy: 1.4615662940528082
Energy: 1.5080209552787411
Energy: 1.7295767099235237
Energy: 1.532055914821752
Energy: 1.580150088775555
Energy: 1.5048841929962324
Energy: 1.563715992941207
Energy: 1.4263923241601448

minimum gb energy = 1.3142680627223218 eV
minimum distance =  2.52613631751775 Angstroms
sigma value = 27


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

Energy: 1.8685849539758241
Energy: 2.0153493990384552
Energy: 1.6954348940183317
Energy: 1.8680943422009657
Energy: 2.0396562299317624
Energy: 1.7200497978102285
Energy: 1.7036948286035796
Energy: 1.6821164500420556
Energy: 1.6878888936448655
Energy: 1.704734228302247
Energy: 1.7108754568576063
Energy: 1.5822396077947312
Energy: 1.5814944691421204
Energy: 1.5240213288888973
Energy: 1.5408848410942637
Energy: 1.5442296053878142
Energy: 1.3440925916155113
Energy: 1.5672995276228494
Energy: 1.72280910652845
Energy: 1.5375863154208889
Energy: 1.5449589799370604
Energy: 1.6608931492880847
Energy: 1.6053510612598838
Energy: 1.5415067017447512
Energy: 1.34724765452264
Energy: 1.5482497567747966
Energy: 1.547623264794351
Energy: 1.3487014934800614
Energy: 1.5481662623035062
Energy: 1.4760987028184052
Energy: 1.4018515971155447
Energy: 1.5347626443214968
Energy: 1.5146951607297203
Energy: 1.4006022851448487
Energy: 1.4713018828320565
Energy: 1.4760088324226903
Energy: 1.5362014940219544
Energy: 1.6863514852985355
Energy: 1.619133812680045
Energy: 1.5374339236987136
Energy: 1.683292000501744
Energy: 1.6146211309752656
Energy: 1.5742235648994012
Energy: 1.5849882572555052
Energy: 1.4766732642828335
Energy: 1.606827231320553
Energy: 1.72913084845089
Energy: 1.4958581149798595
Energy: 1.6489840254859573
Energy: 1.3859477901803516
Energy: 1.3856848847008114
Energy: 1.556494845698072
Energy: 1.5289845727182758
Energy: 1.5951759880745189
Energy: 1.791337057981391
Energy: 1.4601079459787532
Energy: 1.3989392474244526
Energy: 1.5881983570104705
Energy: 1.4423880853521143
Energy: 1.4698740036924856
Energy: 1.4590391855123939
Energy: 1.4403429206318983
Energy: 1.426935475285563
Energy: 1.4586151112188726
Energy: 1.3413856718030106
Energy: 1.4788620993623234
Energy: 1.5593561064203154
Energy: 1.4203417326116647
Energy: 1.4765658696916641
Energy: 1.566839280022573
Energy: 1.394237118676969
Energy: 1.4775994285126026
Energy: 1.6764559911284829
Energy: 1.5740202787784305
Energy: 1.5971385543641785
Energy: 1.6780194000521051
Energy: 1.5385963824688524
Energy: 1.6237973081514214
Energy: 1.6704088874185004
Energy: 1.5281701877806912
Energy: 1.5681920917060788
Energy: 1.670715207700363
Energy: 1.5290207990802835
Energy: 1.602882702643683
Energy: 1.5350453654192437
Energy: 1.4890136184062035
Energy: 1.511610467824182
Energy: 1.5358326709603594
Energy: 1.4872555736985105
Energy: 1.6549478744984853
Energy: 1.4929911019981357
Energy: 1.623622618765018
Energy: 1.553818910192597
Energy: 1.3638130972906175
Energy: 1.5225926148010271
Energy: 1.393408813692562
Energy: 1.3414746839832952
Energy: 1.5040691340196817
Energy: 1.4670491721466556
Energy: 1.3413325106643073
Energy: 1.4788164755316462
Energy: 1.441344357641264
Energy: 1.5170579920957439
Energy: 1.4580680197138685
Energy: 1.485214711006562
Energy: 1.3797121436672763
Energy: 1.4222056181549958
Energy: 1.4709683946150975
Energy: 1.634460461764854
Energy: 1.6766040912643516
Energy: 1.6111795399961322
Energy: 1.541530030242401
Energy: 1.6759867945519986
Energy: 1.5931264401892506
Energy: 1.53245258967556
Energy: 1.6762511465082695
Energy: 1.6120409086043288
Energy: 1.5322980657581482
Energy: 1.6761145020402224
Energy: 1.6113765856589386
Energy: 1.7800488670966685
Energy: 1.4482805575581252
Energy: 1.4683916138749111
Energy: 1.684505316376477
Energy: 1.566410038624201
Energy: 1.5108156244816238
Energy: 1.3475150047301558
Energy: 1.5748226202815627
Energy: 1.6035150270611198
Energy: 1.3487905133344378
Energy: 1.5721546505747594
Energy: 1.6034004683685574
Energy: 1.802306001595814
Energy: 1.5206044238281387
Energy: 1.5148757145514244
Energy: 1.6030056222110505
Energy: 1.5149767256301265
Energy: 1.5811558077706258
Energy: 1.6057316405963367
Energy: 1.5281138347929253
Energy: 1.5659441436684214
Energy: 1.6073214917987055
Energy: 1.5247334914257809
Energy: 1.5575105521248624
Energy: 2.090446308846505
Energy: 1.6808538093085834
Energy: 1.7242691640152275
Energy: 1.871170450958495
Energy: 1.6746054798343073
Energy: 1.6593976243382829

minimum gb energy = 1.3413325106643073 eV
minimum distance =  2.51794037425179 Angstroms
sigma value = 19


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

Energy: 1.9826477080232152
Energy: 1.6218672884085774
Energy: 1.882486728491834
Energy: 1.9855477955106067
Energy: 2.2466905267126824
Energy: 1.9654779086005474
Energy: 1.6847785919615588
Energy: 1.503542207039962
Energy: 1.5131538850489508
Energy: 1.7234875783114638
Energy: 1.490467925041069
Energy: 1.484680200515261
Energy: 1.4777844608125505
Energy: 1.4966114903993624
Energy: 1.5112808911284201
Energy: 1.451558544505146
Energy: 1.4639499448757345
Energy: 1.5078906123613691
Energy: 1.551616147353785
Energy: 1.506192925993866
Energy: 1.4686606859334395
Energy: 1.4869460930566807
Energy: 1.490477320806865
Energy: 1.467397731711139
Energy: 1.3490672223795408
Energy: 1.4844446124522268
Energy: 1.533668039431561
Energy: 1.3521045425012035
Energy: 1.4830170719457423
Energy: 1.5408953915539285
Energy: 1.563044682842832
Energy: 1.6263858158515423
Energy: 1.4716275118604427
Energy: 1.5711695633863785
Energy: 1.5694954508968997
Energy: 1.472915891056054
Energy: 1.3626619665658213
Energy: 1.7099107737741468
Energy: 1.6437310471683526
Energy: 1.3625431056529655
Energy: 1.8875409432528027
Energy: 1.5805844927100683
Energy: 1.6450278255642437
Energy: 1.5044926641767133
Energy: 1.5104492337619149
Energy: 1.4955926972398628
Energy: 1.5619874894754566
Energy: 1.5194795413453643
Energy: 1.3189351920058041
Energy: 1.4382209829242636
Energy: 1.4442680646181376
Energy: 1.319522529146452
Energy: 1.4054600993888753
Energy: 1.4330293761948032
Energy: 1.3719648582249202
Energy: 1.4338987543670791
Energy: 1.4757847781304045
Energy: 1.4416025706692115
Energy: 1.4420245880587186
Energy: 1.448566178527683
Energy: 1.522167224040855
Energy: 1.6523264104450235
Energy: 1.635425503189263
Energy: 1.491931406967783
Energy: 1.6140115338416534
Energy: 1.6518327339760654
Energy: 1.5129338251767495
Energy: 1.4592706420450656
Energy: 1.4770590185257646
Energy: 1.4381705391489445
Energy: 1.4621492643793024
Energy: 1.4740324025697502
Energy: 1.787167443236679
Energy: 1.340618119604358
Energy: 1.3306392499582145
Energy: 1.7902055424664436
Energy: 1.3326654103573343
Energy: 1.4237279854957707
Energy: 1.7529561556392663
Energy: 1.390678479680458
Energy: 1.5029003159820804
Energy: 1.6085724554712104
Energy: 1.400673161309027
Energy: 1.5050107970043063
Energy: 1.382802376115692
Energy: 1.3215695220455141
Energy: 1.4329652611843193
Energy: 1.3673288818107447
Energy: 1.2820600007797176
Energy: 1.4228691973223462
Energy: 1.4546783705789588
Energy: 1.383179176192959
Energy: 1.4278079949947993
Energy: 1.42084640037394
Energy: 1.3155925180042238
Energy: 1.450931896712385
Energy: 1.6786319056323542
Energy: 1.4024878339351852
Energy: 1.4236469760281305
Energy: 1.6804945940808171
Energy: 1.3956782634016465
Energy: 1.5002139645330121
Energy: 1.7108405028388896
Energy: 1.4088153966352972
Energy: 1.4886107072510297
Energy: 1.5066912166166269
Energy: 1.4204394501146482
Energy: 1.4657309939573895
Energy: 1.3923766276880265
Energy: 1.4948028859811668
Energy: 1.5968361153598272
Energy: 1.3947293628606583
Energy: 1.4762752982375926
Energy: 1.4361520922539481
Energy: 1.4110552236016667
Energy: 1.565033018248516
Energy: 1.6221654092188231
Energy: 1.413603554536827
Energy: 1.5645133299649212
Energy: 1.4321221182144739
Energy: 1.2916882509500691
Energy: 1.388340427492088
Energy: 1.4461625055404417
Energy: 1.2914830570292117
Energy: 1.3882753837417119
Energy: 1.4340746777119913
Energy: 1.345539200388009
Energy: 1.4467091265287122
Energy: 1.4607625175099523
Energy: 1.3449240497767707
Energy: 1.4152428838484237
Energy: 1.440574809719337
Energy: 1.3597228449459045
Energy: 1.6129183486337548
Energy: 1.531881951225056
Energy: 1.3599459314526638
Energy: 1.6168319166005753
Energy: 1.3790977487166494
Energy: 1.4542983822586548
Energy: 1.5346326067440677
Energy: 1.5260143636586054
Energy: 1.3531903429189776
Energy: 1.5671440661397475
Energy: 1.3818339786422178
Energy: 1.5453964958032227
Energy: 1.4240615354184725
Energy: 1.4819734664420192
Energy: 1.457019056693782
Energy: 1.441446631485994
Energy: 1.5063187048910678
Energy: 1.4604392267854158
Energy: 1.4997052979137067
Energy: 1.4740063659969698
Energy: 1.4619029451537564
Energy: 1.497461740673591
Energy: 1.5177164600053434
Energy: 1.446054839592678
Energy: 1.400532128855049
Energy: 1.4400894268478466
Energy: 1.4296883747319684
Energy: 1.3546347212060228
Energy: 1.4767890003476263
Energy: 1.5070248031687172
Energy: 1.3511356349921921
Energy: 1.4345362591866904
Energy: 1.4844059853568368
Energy: 1.3510752326767517
Energy: 1.4601031685765962
Energy: 1.8501349937266105
Energy: 1.4605785237475823
Energy: 1.5164825299973679
Energy: 1.6022033099262432
Energy: 1.3875489746445941
Energy: 1.392946801136673

minimum gb energy = 1.2820600007797176 eV
minimum distance =  2.5313127342439 Angstroms
sigma value = 101


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

Energy: 1.8576022514392116
Energy: 1.6173761352615894
Energy: 1.9182430509099113
Energy: 1.8602825854603158
Energy: 2.15995552762105
Energy: 1.7051160746009741
Energy: 1.647469609796147
Energy: 1.4067156831982544
Energy: 1.4715059824905639
Energy: 1.6481283975111873
Energy: 1.344441263577047
Energy: 1.4453433433843288
Energy: 1.4769011932594494
Energy: 1.5226218285291917
Energy: 1.5513798198383872
Energy: 1.4785249246127457
Energy: 1.4766910052576987
Energy: 1.44746924367573
Energy: 1.4342808924944361
Energy: 1.46160557023896
Energy: 1.3969734890296344
Energy: 1.4937968284512255
Energy: 1.458262643728874
Energy: 1.3912034534650715
Energy: 1.257989279395296
Energy: 1.50292836506266
Energy: 1.6148805560983903
Energy: 1.2607731056949778
Energy: 1.5075974224376558
Energy: 1.4110863610942959
Energy: 1.4022243540103978
Energy: 1.4588328005563596
Energy: 1.4133002610082044
Energy: 1.4022375653360102
Energy: 1.575730803647833
Energy: 1.4130279406153727
Energy: 1.3952859974333256
Energy: 1.8885650095782998
Energy: 1.9205812088416556
Energy: 1.395021280175887
Energy: 1.888014530881442
Energy: 1.7857901222415347
Energy: 1.3912493072009207
Energy: 1.4453264905108565
Energy: 1.41398277324224
Energy: 1.4790584632957653
Energy: 1.4548975823681154
Energy: 1.4712612175543343
Energy: 1.2353105509233144
Energy: 1.469301930324009
Energy: 1.4435805464375062
Energy: 1.2371874492844472
Energy: 1.4165282078855794
Energy: 1.3897648456377893
Energy: 1.231377955618648
Energy: 1.4591509484767866
Energy: 1.4373248973510195
Energy: 1.2312469639034913
Energy: 1.436397675827288
Energy: 1.404714337414828
Energy: 1.573381924831027
Energy: 1.7555709344490202
Energy: 1.7500358320728857
Energy: 1.5320608950225074
Energy: 1.7595214354079582
Energy: 1.6583491944809283
Energy: 1.4505841603087208
Energy: 1.4498832638477723
Energy: 1.4271990794727516
Energy: 1.4137624718527904
Energy: 1.4321703427787675
Energy: 1.4061401467734143
Energy: 1.572198849367673
Energy: 1.4046100492097233
Energy: 1.4426433686359206
Energy: 1.573736196549895
Energy: 1.4093557278061348
Energy: 1.5160566177975603
Energy: 1.722531999745553
Energy: 1.4060060442827176
Energy: 1.427499406610159
Energy: 1.4613066993864747
Energy: 1.5764857472410005
Energy: 1.4440291986172222
Energy: 1.3847990113376838
Energy: 1.2900041157269493
Energy: 1.408643849192174
Energy: 1.3870075418064491
Energy: 1.2363445769806503
Energy: 1.4095329623039738
Energy: 1.5373629660296573
Energy: 1.3075444900367132
Energy: 1.368097621124566
Energy: 1.5365630903681033
Energy: 1.371641119228118
Energy: 1.41059621664472
Energy: 1.8698491770991306
Energy: 1.373183333552225
Energy: 1.3860424490574013
Energy: 1.8624560855829748
Energy: 1.3999945143076398
Energy: 1.7304002003407837
Energy: 1.4529043541135354
Energy: 1.4962600810091573
Energy: 1.434727501887976
Energy: 1.4532845081924728
Energy: 1.512708108506256
Energy: 1.4838201714872201
Energy: 1.4782329873259177
Energy: 1.54611986020793
Energy: 1.5818752630546489
Energy: 1.476876251049238
Energy: 1.307622344905754
Energy: 1.5808216564992787
Energy: 1.4933168925523628
Energy: 1.5240396784730383
Energy: 1.557224645726717
Energy: 1.5056850561582926
Energy: 1.5314319753630588
Energy: 1.508946955088415
Energy: 1.2612394542208065
Energy: 1.4590298183675257
Energy: 1.4928822913919202
Energy: 1.263430969486506
Energy: 1.4622427638177675
Energy: 1.4169467490788936
Energy: 1.4035870209069161
Energy: 1.4744203464403147
Energy: 1.444025081874978
Energy: 1.3277458056513254
Energy: 1.5448698888778754
Energy: 1.415494069167549
Energy: 1.3938361320111108
Energy: 1.55282105756846
Energy: 1.5327110504999861
Energy: 1.3690161000914733
Energy: 1.6054609621317666
Energy: 1.5326526071492401
Energy: 1.463203447264369
Energy: 1.4492318513712428
Energy: 1.5796395347229464
Energy: 1.4634298684457896
Energy: 1.4882973212176334
Energy: 1.4375766467297546
Energy: 1.2309691706626116
Energy: 1.4153169834429242
Energy: 1.411008369285158
Energy: 1.2313012073522687
Energy: 1.4658437811959777
Energy: 1.3877262516142845
Energy: 1.2307126525692509
Energy: 1.4058464873861454
Energy: 1.4515836172339684
Energy: 1.2312902656772697
Energy: 1.41021353533797
Energy: 1.4364005395859594
Energy: 1.4953100267157966
Energy: 1.6670537318996135
Energy: 1.6880777117797434
Energy: 1.496961960406433
Energy: 1.6818750644330391
Energy: 1.6595067639111107
Energy: 1.4310505263985682
Energy: 1.4119076537901856
Energy: 1.4667225406900157
Energy: 1.43262676433105
Energy: 1.677781282031288
Energy: 1.4743552531310082
Energy: 1.4810648035553517
Energy: 1.4048315699138536
Energy: 1.4423123369184172
Energy: 1.4786560849030779
Energy: 1.4069050652597301
Energy: 1.4705765691185029
Energy: 1.5620186638686087
Energy: 1.4176506773713515
Energy: 1.4258401201455773
Energy: 1.5637954568097703
Energy: 1.4494147420230785
Energy: 1.4655721576044891
Energy: 1.3999453624270535
Energy: 1.2872244533103574
Energy: 1.4132542255967722
Energy: 1.3994193840813876
Energy: 1.2322123484988239
Energy: 1.4305200037664418
Energy: 1.5361783731769465
Energy: 1.3074675417879424
Energy: 1.3745361988912825
Energy: 1.5368135402972025
Energy: 1.3068349963230246
Energy: 1.4405579124322256
Energy: 1.7515754933911125
Energy: 1.3898013717514948
Energy: 1.4292810132948341
Energy: 1.7515882250840749
Energy: 1.4397897067195773
Energy: 1.4538303274004447

minimum gb energy = 1.2307126525692509 eV
minimum distance =  2.51853559840712 Angstroms
sigma value = 33


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

Energy: 0.021443150342238686
Energy: 0.8854051008078724
Energy: 0.023369875456448107
Energy: 0.024459655622784
Energy: 0.8871455365263824
Energy: 0.02222715068618404
Energy: 0.8018387879464941
Energy: 0.1358922519077637
Energy: 0.1334292564016384
Energy: 0.13354210735222746
Energy: 0.13308439866236568
Energy: 0.1330589534190818
Energy: 1.5490815829607767
Energy: 0.8844305798669801
Energy: 0.8829263621434332
Energy: 0.8819791121310374
Energy: 1.3790152510996256
Energy: 0.8840281223815216
Energy: 0.022494470637122684
Energy: 0.13589225190742796
Energy: 0.1334292564016384
Energy: 0.1335421073518498
Energy: 0.13308439866198804
Energy: 0.1330589534194595

minimum gb energy = 0.021443150342238686 eV
minimum distance =  2.73564520973609 Angstroms
sigma value = 1