Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.647307395935058
cohesive_energy=4.1514736222019355
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 0.0, 2.7774533038707e-21, 1.0382729437207259e-19, 2.5036413171201e-19, 3.75348328753716e-19, 4.6550441012553e-19, 5.233237604933219e-19, 5.542970391818099e-19, 5.7220937394993e-19, 5.88013244267706e-19, 6.019201374508259e-19, 6.14103088575762e-19, 6.24709497892842e-19, 6.3386113082624995e-19, 6.41666935387098e-19, 6.48215031290256e-19, 6.535903338973259e-19, 6.578617368035699e-19, 6.610933270743479e-19, 6.633427830684839e-19, 6.646581700849979e-19, 6.6508755342291e-19, 6.646245243756839e-19, 6.631280913995279e-19, 6.60407595474996e-19, 6.562419362265959e-19, 6.503587436265479e-19, 6.424359801714179e-19, 6.3208271476251e-19, 6.188231009395259e-19, 6.02077150760958e-19, 5.81002119317322e-19, 5.52515418764802e-19, 5.1395583371432395e-19, 4.64419736544312e-19, 4.0325824571799595e-19, 3.29577346673604e-19, 2.416082364072e-19, 1.3621064871614399e-19, 8.601493542591419e-21, -1.477492043988852e-19, -3.4521298844481e-19, -5.99861340476136e-19, -9.32925023505324e-19, -1.436897694613194e-18, -2.21840581096908e-18, -3.24051439462938e-18, -4.576777772684399e-18, -6.56919656942778e-18, -9.898103048954939e-18, -1.577701783739016e-17, -2.7572819000486398e-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: 0.015729709687105336
Energy: 0.016319227735336485
Energy: 1.178337025937765
Energy: 0.1286331020447767
Energy: 0.016319227735952638
Energy: 1.5743961066779972
Energy: 0.1286331020453586
Energy: 1.5743961066779972
Energy: 1.1783370259383472
Energy: 0.1286331020447767
Energy: 0.015729709687105336
Energy: 0.016319227735336485
Energy: 0.1286331020447767
Energy: 1.5743961066786132
Energy: 0.01631922773475456
Energy: 1.5743961066779972

minimum gb energy = 0.015729709687105336 eV
minimum distance =  2.56325626738 Angstroms
sigma value = 1


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

Energy: 1.9614280317661865
Energy: 1.1806403311239364
Energy: 1.176285568633996
Energy: 1.2287860054877051
Energy: 1.257865753469278
Energy: 1.1609547618089513
Energy: 1.1929314448820616
Energy: 1.160954761805215
Energy: 1.1793643787714296
Energy: 1.3044115376162222
Energy: 2.1335951080494686
Energy: 1.3044115376162222
Energy: 1.2217453661277686
Energy: 1.218957296465823
Energy: 1.192762294459816
Energy: 1.2189572964643287
Energy: 1.810717089934704
Energy: 1.2241997878149071
Energy: 1.1358829939468718
Energy: 1.2241997878134125
Energy: 1.2211679605426877
Energy: 1.1552018486995963
Energy: 1.1797096401309923
Energy: 1.1552018486995963
Energy: 1.2546698078850014
Energy: 1.4001260456806863
Energy: 1.8110880110738037
Energy: 1.4001260456814337
Energy: 1.201951889108776
Energy: 1.286489125494977
Energy: 1.2032823473652725
Energy: 1.2864891260066476
Energy: 1.526002845140314
Energy: 1.4160674609783344
Energy: 1.3667340801989754
Energy: 1.4160674609790815
Energy: 1.213265144166211
Energy: 1.3376043832137643
Energy: 1.2080036100005629
Energy: 1.3376043832137643
Energy: 1.4142773870242369
Energy: 1.3999861369924378
Energy: 1.526581062650904
Energy: 1.3999861369916904
Energy: 1.199625285443545
Energy: 1.3782931223979566
Energy: 1.2060075696835133
Energy: 1.3782931223987043
Energy: 1.2878077452509895
Energy: 1.3862937725982798
Energy: 1.3058790725480123
Energy: 1.386293772599027
Energy: 1.2233634032903695
Energy: 1.3709125603150107
Energy: 1.1990333217393068
Energy: 1.3709125603172527
Energy: 1.495553415688293
Energy: 1.23026501880367
Energy: 1.1549867626670152
Energy: 1.23026501880367
Energy: 1.1790817340173778
Energy: 1.221772579760888
Energy: 1.2293880139420754
Energy: 1.2217725797960093
Energy: 1.1769287306071476
Energy: 1.1326695888386686
Energy: 1.2791179382303137
Energy: 1.1326695888409106
Energy: 1.1929568668108994
Energy: 1.2586875598837082
Energy: 1.2471993671908619
Energy: 1.2586875598822138
Energy: 2.1333378761553496
Energy: 1.3036917657094358
Energy: 1.1889633360466145
Energy: 1.3036917657116776
Energy: 1.2065662983179755
Energy: 1.221738935342141
Energy: 1.1882687993121925
Energy: 1.221738935342888
Energy: 1.1382109723628022
Energy: 1.2242334741663154
Energy: 1.810905171913779
Energy: 1.2242334741633265
Energy: 1.1790382378672977
Energy: 1.2227327247880189
Energy: 1.220686019161029
Energy: 1.2227327247887665
Energy: 1.8109070831356493
Energy: 1.400212202324479
Energy: 1.1835800763959057
Energy: 1.4002122023267207
Energy: 1.1957221455018392
Energy: 1.3789135218289967
Energy: 1.1985245399171718
Energy: 1.3789135218275022
Energy: 1.3591930239603107
Energy: 1.4168259077884224
Energy: 1.5259985683969548
Energy: 1.4168259077869279
Energy: 1.2350630377402498
Energy: 1.405745300234921
Energy: 1.2155147317448742
Energy: 1.4057453002341738
Energy: 1.526433096362778
Energy: 1.39470276058685
Energy: 1.3984221830807435
Energy: 1.39470276058685
Energy: 1.2082281620441944
Energy: 1.4061521888363664
Energy: 1.2001152116667173
Energy: 1.406152188837861
Energy: 1.2985042768705921
Energy: 1.3867888789011527
Energy: 1.2870122065264424
Energy: 1.3867888789041416
Energy: 1.1918307233676542
Energy: 1.408375972938687
Energy: 1.2235548701753949
Energy: 1.4083759729401817
Energy: 1.1541716011938536
Energy: 1.222718717956467
Energy: 1.485270106688423
Energy: 1.2227187179474999
Energy: 1.2309928902736331
Energy: 1.2511598179581491
Energy: 1.2355291781553002
Energy: 1.25115981795516
Energy: 1.2768118318051913
Energy: 1.1839599224216188
Energy: 1.187808090205022
Energy: 1.1839599224208714

minimum gb energy = 1.1326695888386686 eV
minimum distance =  2.31040374152275 Angstroms
sigma value = 1


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

Energy: 2.219990314095545
Energy: 1.1120273281224715
Energy: 1.2488049417154392
Energy: 1.1743455982142625
Energy: 1.3000794439614776
Energy: 1.2256980541257567
Energy: 1.2663079432104176
Energy: 1.2256980541249047
Energy: 1.2097246176686722
Energy: 1.3756899430757679
Energy: 2.031739228235922
Energy: 1.375689943074064
Energy: 1.3071530369899578
Energy: 1.2884895129326717
Energy: 1.2652457285139922
Energy: 1.2884895129326717
Energy: 2.0362835725714254
Energy: 1.30229681158101
Energy: 1.210152824165041
Energy: 1.302296811582714
Energy: 1.295340436202736
Energy: 1.2278532622816674
Energy: 1.2534428383503744
Energy: 1.2278532622799634
Energy: 1.3469210000170888
Energy: 1.4979108841256532
Energy: 1.681511490632642
Energy: 1.4979108841265052
Energy: 1.2728350235450143
Energy: 1.3565959260634803
Energy: 1.2824492073454992
Energy: 1.356595926318967
Energy: 1.6854017647210575
Energy: 1.4970037273995462
Energy: 1.4286300483603036
Energy: 1.4970037273995462
Energy: 1.3062840119214048
Energy: 1.4488847825551672
Energy: 1.2735036199669945
Energy: 1.4488847825543152
Energy: 1.522868280820863
Energy: 1.4948901085494948
Energy: 1.3899446323131652
Energy: 1.4948901085486428
Energy: 1.2881265900308574
Energy: 1.4563492527787756
Energy: 1.3022295161725401
Energy: 1.4563492527779236
Energy: 1.2276054974715458
Energy: 1.4692117233313948
Energy: 1.3797289116166647
Energy: 1.4692117233339506
Energy: 1.3043856438244896
Energy: 1.298104982010734
Energy: 1.2517941091058573
Energy: 1.29810498201329
Energy: 1.361580426982062
Energy: 1.174711970163385
Energy: 1.2471692776498382
Energy: 1.174711970106339
Energy: 1.322839215309224
Energy: 1.215663164133122
Energy: 1.2658134885335635
Energy: 1.21566316413227
Energy: 1.219393921212536
Energy: 1.3914584481927985
Energy: 2.0320588917103257
Energy: 1.3914584481919468
Energy: 1.2872515330145717
Energy: 1.2174938946949487
Energy: 1.2783433477447714
Energy: 1.2174938946940967
Energy: 2.0359021477816173
Energy: 1.3007890652208305
Energy: 1.208752238851632
Energy: 1.3007890652242386
Energy: 1.2953799637451588
Energy: 1.3298529294244934
Energy: 1.2540046338821558
Energy: 1.3298529294261978
Energy: 1.2636939081908845
Energy: 1.4979005982727989
Energy: 1.6819501671274897
Energy: 1.4979005982736506
Energy: 1.2866665670398147
Energy: 1.5166828620893977
Energy: 1.2875117047553675
Energy: 1.5166828620893977
Energy: 1.686751766195666
Energy: 1.4965532055183757
Energy: 1.4256412378831285
Energy: 1.4965532055183757
Energy: 1.2960729307774048
Energy: 1.5164287393429148
Energy: 1.3208703963035813
Energy: 1.5164287393403586
Energy: 1.5204490591263047
Energy: 1.4948009596001277
Energy: 1.3891910742081022
Energy: 1.4948009596001277
Energy: 1.2629738689055157
Energy: 1.5080386142784064
Energy: 1.3017922079305768
Energy: 1.5080386142801103
Energy: 1.2268149054036432
Energy: 1.2997813284903579
Energy: 1.5530227226295361
Energy: 1.299781328489506
Energy: 1.3037761251913347
Energy: 1.3166949189299413
Energy: 1.3112120919095727
Energy: 1.3166949189307933
Energy: 1.6593160025426459
Energy: 1.1917377508523213
Energy: 1.2482427368573858
Energy: 1.1917377508523213

minimum gb energy = 1.1120273281224715 eV
minimum distance =  2.30855563220617 Angstroms
sigma value = 25


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

Energy: 2.1021761184057848
Energy: 1.1702175902865553
Energy: 1.3301808695253245
Energy: 1.241122979157369
Energy: 1.3826656949059002
Energy: 1.2904762987648941
Energy: 1.3015912958653728
Energy: 1.2904762987738077
Energy: 1.2757638393054798
Energy: 1.4762701865814394
Energy: 1.8983445869110034
Energy: 1.4762701865804488
Energy: 1.2586286390909271
Energy: 1.3692381079583833
Energy: 1.3934005988277935
Energy: 1.3692381079583833
Energy: 1.8969836503541133
Energy: 1.403839221448871
Energy: 1.2892269892432218
Energy: 1.4038392214478805
Energy: 1.3841495535313963
Energy: 1.2966307763216385
Energy: 1.3403738458989687
Energy: 1.296630776320648
Energy: 1.3617721694342886
Energy: 1.609891198919624
Energy: 1.5258480692981902
Energy: 1.6098911989186333
Energy: 1.3505028530936845
Energy: 1.4769318887621463
Energy: 1.3536574410208893
Energy: 1.4769318887611558
Energy: 1.5253130275172166
Energy: 1.606265816744249
Energy: 1.5734385767277583
Energy: 1.6062658167462298
Energy: 1.3989627754578458
Energy: 1.5321259119961137
Energy: 1.3530385919432957
Energy: 1.5321259119961137
Energy: 1.4645802117312436
Energy: 1.5791757152922898
Energy: 1.2615498504117675
Energy: 1.5791757152912993
Energy: 1.3396574750961456
Energy: 1.4044514524022103
Energy: 1.3783064986888036
Energy: 1.404451452404191
Energy: 1.3300238219478664
Energy: 1.237532272609012
Energy: 1.4426370915921876
Energy: 1.2375322726149551
Energy: 1.378453538652229
Energy: 1.2873834888093483
Energy: 1.3837502241686521
Energy: 1.2873834888083577
Energy: 1.8966179279750943
Energy: 1.4944080181454642
Energy: 1.2767688820958525
Energy: 1.4944080181464543
Energy: 1.3580631877308658
Energy: 1.2877950331656742
Energy: 1.2595947964386138
Energy: 1.2877950331676553
Energy: 1.2856776952839202
Energy: 1.441219201255613
Energy: 1.8975136555018646
Energy: 1.441219201255613
Energy: 1.3121534759237587
Energy: 1.2977894877976788
Energy: 1.3837704012752812
Energy: 1.2977894877996594
Energy: 1.5257910411660613
Energy: 1.6164745168809982
Energy: 1.3617743529225115
Energy: 1.6164745168800079
Energy: 1.3546689974062727
Energy: 1.6357228754665178
Energy: 1.3790857225517377
Energy: 1.635722875468499
Energy: 1.4055651421107977
Energy: 1.607242762119025
Energy: 1.5241554143385854
Energy: 1.607242762119025
Energy: 1.4059649122899807
Energy: 1.60628322492307
Energy: 1.3980875611019152
Energy: 1.60628322492307
Energy: 1.2601299223149989
Energy: 1.389945985518641
Energy: 1.4509236640158156
Energy: 1.3899459855176506
Energy: 1.3908342161715443
Energy: 1.395310503484154
Energy: 1.3982777088795137
Energy: 1.3953105034831637
Energy: 1.4427167286535898
Energy: 1.2391711543888697
Energy: 1.3179803679307949
Energy: 1.2391711543878792

minimum gb energy = 1.1702175902865553 eV
minimum distance =  2.2959321842067 Angstroms
sigma value = 9


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

Energy: 1.9274693020728062
Energy: 1.2294120045439132
Energy: 1.360278035195359
Energy: 1.3156403045854075
Energy: 1.478276239036444
Energy: 1.3629400605466626
Energy: 1.4707662949594658
Energy: 1.3629400605466626
Energy: 1.3596810905575092
Energy: 1.3593477742870428
Energy: 2.2278163363485324
Energy: 1.3593477742882243
Energy: 1.3630344011033946
Energy: 1.4843913616617184
Energy: 1.522878108576775
Energy: 1.4843913616617184
Energy: 1.7080002988475906
Energy: 1.4661902352189242
Energy: 1.314454447252973
Energy: 1.4661902352177423
Energy: 1.4449822088135302
Energy: 1.3859781237984419
Energy: 1.4235398283537042
Energy: 1.3859781237996236
Energy: 1.4114273572148643
Energy: 1.7392416100874668
Energy: 1.7195652541357764
Energy: 1.7392416100874668
Energy: 1.4762061798969972
Energy: 1.643705512814969
Energy: 1.526135498635934
Energy: 1.643705512814969
Energy: 1.3534853761824497
Energy: 1.4964661039643166
Energy: 1.5220394970551918
Energy: 1.4964661039631353
Energy: 1.4693669947131214
Energy: 1.7701532705410705
Energy: 1.448407507033953
Energy: 1.7701532705422525
Energy: 1.9296936563911982
Energy: 1.301281389515463
Energy: 1.3587469724334733
Energy: 1.301281389515463
Energy: 1.4779486478087906
Energy: 1.3023095930954611
Energy: 1.470537616708401
Energy: 1.3023095930966424
Energy: 1.3652791522237953
Energy: 1.5749738707481769
Energy: 1.5250021773287201
Energy: 1.5749738707481769
Energy: 1.330493069095571
Energy: 1.3663382437017144
Energy: 1.4111593246558602
Energy: 1.3663382437017144
Energy: 1.7085234586295535
Energy: 1.4971212529984816
Energy: 1.3169568321842917
Energy: 1.4971212529984816
Energy: 1.4443072949599771
Energy: 1.3889985337799646
Energy: 1.40915536935067
Energy: 1.3889985337799646
Energy: 1.3995573860135602
Energy: 1.7380780534779108
Energy: 1.7190696917211694
Energy: 1.7380780534790654
Energy: 1.400205289423676
Energy: 1.7213397848354601
Energy: 1.42766340579059
Energy: 1.7213397848354601
Energy: 1.3524208266728188
Energy: 1.4952401401726725
Energy: 1.527252290230967
Energy: 1.4952401401644018
Energy: 1.46935735311641
Energy: 1.499144694144618
Energy: 1.5184047938964131
Energy: 1.4991446941457993
Energy: 1.5336314522020191
Energy: 1.3013155915403374
Energy: 1.4022379277153496
Energy: 1.3013155915403374

minimum gb energy = 1.2294120045439132 eV
minimum distance =  2.30021920650224 Angstroms
sigma value = 25


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

Energy: 1.6865770789507273
Energy: 1.2789590695937982
Energy: 1.4072102414668466
Energy: 1.4058544275873863
Energy: 1.6425542974878178
Energy: 1.410578377665723
Energy: 1.8049411665064539
Energy: 1.4105783776686456
Energy: 1.451404141681968
Energy: 1.4039535980139466
Energy: 2.0206769048940925
Energy: 1.4039535980153746
Energy: 1.4104162243606486
Energy: 1.3717461028457316
Energy: 1.804701176370715
Energy: 1.3717461028048188
Energy: 1.4760083859253854
Energy: 1.5755570439465474
Energy: 1.4048009821665535
Energy: 1.575557043945086
Energy: 1.6086248079230823
Energy: 1.572213922106788
Energy: 1.4070287416880638
Energy: 1.5722139221053264
Energy: 1.5289395058178985
Energy: 1.5713475717499132
Energy: 1.4726157304082046
Energy: 1.5713475717513743
Energy: 1.5291869260715834
Energy: 1.4867144933995329
Energy: 1.7552593641717784
Energy: 1.4867144933995329
Energy: 1.3690775144592635
Energy: 1.3704683661440733
Energy: 1.6483885248796277
Energy: 1.3704683661440733
Energy: 1.5328952453007532
Energy: 1.3679602574832768
Energy: 1.5857308552876068
Energy: 1.367960257493505
Energy: 1.7113878114501215
Energy: 1.6787419639371388
Energy: 1.563330434078314
Energy: 1.6787419639356775
Energy: 1.6305164306226825
Energy: 1.4103912064976785
Energy: 1.4104589931016922
Energy: 1.4103912064962174
Energy: 1.4067564112275104
Energy: 1.572685432231964
Energy: 1.4760950561812751
Energy: 1.572685432231964
Energy: 1.4040958439149878
Energy: 1.6273500056576056
Energy: 1.609301905220785
Energy: 1.6273500056576056
Energy: 1.4708671683198589
Energy: 1.5702933764638503
Energy: 1.5283432321605157
Energy: 1.5702933764638503
Energy: 1.5593931332709448
Energy: 1.6170132546205878
Energy: 1.530274664567834
Energy: 1.6170132546220488
Energy: 1.6467076193463137
Energy: 1.457968098151082
Energy: 1.3738793170485315
Energy: 1.4579680981496208

minimum gb energy = 1.2789590695937982 eV
minimum distance =  2.28751603634614 Angstroms
sigma value = 17


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

Energy: 2.271190812137928
Energy: 1.59319745971864
Energy: 1.5921688329417938
Energy: 1.5571020951278447
Energy: 1.6873568323608512
Energy: 1.427662548367851
Energy: 1.7367690242906941
Energy: 1.4276625474811366
Energy: 1.4187540361015993
Energy: 1.3841555276640982
Energy: 2.0771349426379
Energy: 1.3841555276632707
Energy: 1.4694299123852277
Energy: 1.631825692641909
Energy: 1.6562488661919517
Energy: 1.6318256926427366
Energy: 1.5665875366193645
Energy: 1.822953534927366
Energy: 1.4734287803678738
Energy: 1.8229535349281936
Energy: 1.644693661671622
Energy: 1.7228658839052449
Energy: 1.6333030262765251
Energy: 1.7228658839069002
Energy: 1.7703557444720612
Energy: 1.3553370625003733
Energy: 1.353297217552041
Energy: 1.3553370625045111
Energy: 1.6238115776844833
Energy: 1.3498616780438522
Energy: 1.5305528862097881
Energy: 1.3498616780446795
Energy: 1.6560897789688473
Energy: 1.7616756606776083
Energy: 1.7338461892113808
Energy: 1.7616756606784358
Energy: 1.5768886661852148
Energy: 1.6320369228182068
Energy: 1.6756361113793847
Energy: 1.6320369228182068
Energy: 1.7107681546964701
Energy: 1.8402450904082868
Energy: 1.4547263720590462
Energy: 1.8402450904082868
Energy: 1.7221007028861905
Energy: 1.5546997928427524
Energy: 1.4673115775049623
Energy: 1.55469979284358
Energy: 1.6459633739125377
Energy: 1.5129645188709109
Energy: 1.4270082583879689
Energy: 1.5129645188700833
Energy: 1.647925989490161
Energy: 1.6521460336825278
Energy: 1.4988537848720633
Energy: 1.6521460336858378
Energy: 1.5189021192468741
Energy: 1.4696060255993817
Energy: 1.7685291464973922
Energy: 1.4696060255993817
Energy: 1.574725984494277
Energy: 1.4694579500773215
Energy: 1.7386630766667615
Energy: 1.4694579500756662
Energy: 1.6962452467687172
Energy: 1.3557802673892203
Energy: 1.500392582028223
Energy: 1.3557802673892203
Energy: 1.7111830357080788
Energy: 1.349823514240869
Energy: 1.3842437920903687
Energy: 1.349823514240869
Energy: 1.6451195791326028
Energy: 1.8889438269402357
Energy: 1.562872907546459
Energy: 1.8889438269385803
Energy: 1.5407413753734345
Energy: 1.8359708986947052
Energy: 1.5648882575255931
Energy: 1.8359708986947052
Energy: 1.4609670796023553
Energy: 1.3871026338787138
Energy: 1.7733032823432082
Energy: 1.3871026338564074
Energy: 1.4189050236238279
Energy: 1.864812448953404
Energy: 1.8761983392884383
Energy: 1.864812448953404
Energy: 1.6303325848335912
Energy: 1.6017008100396497
Energy: 1.723145618157131
Energy: 1.6017008100379946
Energy: 1.7383560208670503
Energy: 1.5188647051867028
Energy: 1.5911546392920766
Energy: 1.5188647051858755
Energy: 1.6164829870506041
Energy: 1.6664595738453478
Energy: 1.6788308120173265
Energy: 1.6664595738445205
Energy: 1.3942844424439897
Energy: 1.6490313787819815
Energy: 1.6235084928183405
Energy: 1.6490313787819815
Energy: 1.5788996652552856
Energy: 1.4828328480591508
Energy: 1.7127168500766308
Energy: 1.4828328480591508
Energy: 1.3966422777369782
Energy: 1.607401082559378
Energy: 1.7745372695253803
Energy: 1.6074010825610336
Energy: 1.5543963928636972
Energy: 1.652825336510782
Energy: 1.6409342107157674
Energy: 1.6528253365124368
Energy: 2.2718424696597466
Energy: 1.4783217256378887
Energy: 1.5903473243131592
Energy: 1.4783217256378887

minimum gb energy = 1.349823514240869 eV
minimum distance =  2.30053529396536 Angstroms
sigma value = 53


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

Energy: 2.0580734470853774
Energy: 2.0144315554200793
Energy: 1.463620668519584
Energy: 1.8480378441432879
Energy: 1.7427860724561726
Energy: 1.3905987004306115
Energy: 1.4162987828630849
Energy: 1.3905987004287061
Energy: 1.5961224598870438
Energy: 1.4623101391905986
Energy: 1.6634207272350952
Energy: 1.4623101391925037
Energy: 1.584217369244293
Energy: 1.3659483104733023
Energy: 1.5642030716672632
Energy: 1.3659483104733023
Energy: 1.5234932167446043
Energy: 1.364447847706638
Energy: 1.2685465362592174
Energy: 1.3644478477085429
Energy: 1.617639307513069
Energy: 1.3647798299244738
Energy: 1.268857533249739
Energy: 1.3647798299225686
Energy: 1.7399339421196867
Energy: 1.3916606991245517
Energy: 1.3913267847204875
Energy: 1.3916606991226463
Energy: 1.7401785403738785
Energy: 1.391698208648782
Energy: 1.4153833358581889
Energy: 1.3916982086468768
Energy: 1.6001665225568076
Energy: 1.391863302383344
Energy: 1.6643335770912837
Energy: 1.391863302383344
Energy: 1.4813163941363074
Energy: 1.3906587692485515
Energy: 1.5657959760953468
Energy: 1.3906587692466463
Energy: 1.6671918828457195
Energy: 1.6711666481808494
Energy: 1.268690055620125
Energy: 1.6711666481808494
Energy: 1.61468199973079
Energy: 1.3634534655104205
Energy: 1.2705003128199337
Energy: 1.3634534655085153
Energy: 1.7396834226738576
Energy: 1.3913301219697956
Energy: 1.3894268190419934
Energy: 1.3913301219717007

minimum gb energy = 1.2685465362592174 eV
minimum distance =  2.29948420144613 Angstroms
sigma value = 9


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

Energy: 1.9927610088813106
Energy: 1.6046967759620934
Energy: 1.7129122208925016
Energy: 1.6748359225535165
Energy: 1.75476412493589
Energy: 2.158096089927578
Energy: 1.7500982584065246
Energy: 2.158096089927578
Energy: 1.4679720050219338
Energy: 1.3781379237298739
Energy: 1.834950293241955
Energy: 1.378137923724233
Energy: 1.4131836884208713
Energy: 1.3787739441015276
Energy: 1.8410623993108128
Energy: 1.3787739441043483
Energy: 1.3794251987458683
Energy: 1.377639400122778
Energy: 1.793104543508553
Energy: 1.377639400122778
Energy: 1.5417427378195676
Energy: 1.730198134191287
Energy: 1.7913633544889873
Energy: 1.730198134196223
Energy: 1.9433908116640253
Energy: 1.5510992184670012
Energy: 1.7448576012641466
Energy: 1.5510992184634755
Energy: 1.8668681346847853
Energy: 1.5214281669550667
Energy: 1.5922202954455027
Energy: 1.5214281669557719
Energy: 1.5183151749717598
Energy: 2.0397721198282333
Energy: 1.5447595856327159
Energy: 2.039772119826823
Energy: 1.4031629931446965
Energy: 1.7051482033463727
Energy: 1.6020068519150041
Energy: 1.7051482033456677
Energy: 1.4047586101955316
Energy: 1.3927726589271046
Energy: 1.8913170326729472
Energy: 1.3927726589271046
Energy: 1.6139696048147547
Energy: 1.6657835113774389
Energy: 1.8949997542631756
Energy: 1.665783511373208
Energy: 1.813457975049849
Energy: 1.3943349712580393
Energy: 1.7789193885373187
Energy: 1.3943349712643855
Energy: 1.8719279984644732
Energy: 1.393846295814011
Energy: 1.4080334867762054
Energy: 1.393846295814716
Energy: 1.6908992395025637
Energy: 1.6009349699237265
Energy: 1.5557898067603309
Energy: 1.600934969923021
Energy: 1.6051455002717774
Energy: 1.7124878571964017
Energy: 1.5407816953239943
Energy: 1.712487857194991
Energy: 1.5504632244434835
Energy: 1.7805259450766548
Energy: 1.5707183748578464
Energy: 1.7805259451372961
Energy: 1.7105247340297705
Energy: 1.6109887931741935
Energy: 1.9946964200685833
Energy: 1.6109887931741935
Energy: 1.7307628500999286
Energy: 2.138824931987319
Energy: 1.7713513592559336
Energy: 2.138824931986614
Energy: 1.8338032891269151
Energy: 1.3787146922980242
Energy: 1.411058742603015
Energy: 1.378714692296614
Energy: 1.8428584027721595
Energy: 1.3778332745319612
Energy: 1.3869566694646371
Energy: 1.3778332745333715
Energy: 1.7360002316826078
Energy: 1.3776842550286923
Energy: 1.377369676165035
Energy: 1.3776842550279869
Energy: 1.7927629757154002
Energy: 1.7273666512140646
Energy: 1.5422128671694861
Energy: 1.7273666512147696
Energy: 1.8329314842733875
Energy: 1.5043207513876764
Energy: 1.8716522012505101
Energy: 1.5043207513834458
Energy: 1.5925441566291298
Energy: 1.5158960422941983
Energy: 1.8665407374850984
Energy: 1.5158960422977243
Energy: 1.5114949902411359
Energy: 2.048205551272309
Energy: 1.513804437019633
Energy: 2.048205551272309
Energy: 1.6139113113870311
Energy: 1.6938895681925374
Energy: 1.4022265952770763
Energy: 1.693889568191832
Energy: 1.904865845401435
Energy: 1.3922148234183755
Energy: 1.40544247790907
Energy: 1.3922148234169653
Energy: 1.984260691214923
Energy: 1.4083800630898184
Energy: 1.600207256201903
Energy: 1.4083800175291863
Energy: 1.7805719883429845
Energy: 1.806050121943655
Energy: 1.8148559659031094
Energy: 1.8060501219429501
Energy: 1.4112332929207358
Energy: 1.392917473508928
Energy: 1.7617391989855926
Energy: 1.3929174735068126
Energy: 1.4561301456229674
Energy: 1.770470121496375
Energy: 1.6922168500794699
Energy: 1.7704701214935543
Energy: 1.5163060067901457
Energy: 1.7127928524909155
Energy: 1.6050293592090021
Energy: 1.7127928524895049
Energy: 1.569553724564872
Energy: 1.9809467478088396
Energy: 1.5206896245558745
Energy: 1.9809467478081344
Energy: 1.9968260549142678
Energy: 1.592842709581084
Energy: 1.6875511360027038
Energy: 1.592842709582494

minimum gb energy = 1.377369676165035 eV
minimum distance =  2.27169573953001 Angstroms
sigma value = 73


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

Energy: 1.8976508434086523
Energy: 2.0689024249098678
Energy: 1.6286382251289389
Energy: 1.549395650603166
Energy: 2.0155603571626366
Energy: 2.120103630023311
Energy: 1.7761432262753987
Energy: 2.120103630023311
Energy: 1.4306978674534918
Energy: 1.387243574618993
Energy: 1.6624273211283151
Energy: 1.387243574618993
Energy: 1.4285791560236498
Energy: 1.3864436027440656
Energy: 1.8090788124247712
Energy: 1.3864436027440656
Energy: 1.3870478388228145
Energy: 1.3860947411893627
Energy: 1.7428158627576391
Energy: 1.3860947411904814
Energy: 1.5669069834756815
Energy: 1.705650557463732
Energy: 1.744242175131604
Energy: 1.7056505574648508
Energy: 1.8923803387540048
Energy: 1.443435851404159
Energy: 1.6933488907975731
Energy: 1.44343585140304
Energy: 1.7905471365123249
Energy: 1.4439839599509037
Energy: 1.4510939449623883
Energy: 1.443983959949785
Energy: 1.5509517872939096
Energy: 1.9255694626746978
Energy: 1.5945246041419254
Energy: 1.9255694626746978
Energy: 1.4255530762267365
Energy: 1.5377542173860481
Energy: 1.5099527743670524
Energy: 1.5377542173871668
Energy: 1.4519086859537165
Energy: 1.4433409070007053
Energy: 2.0014761112437385
Energy: 1.44334090700518
Energy: 1.5942859277085475
Energy: 1.5658243548672592
Energy: 1.9017815949338326
Energy: 1.5658243548683777
Energy: 1.5561936988584453
Energy: 1.7409476008874483
Energy: 1.662824318544839
Energy: 1.7409476008840918
Energy: 1.5984059820111711
Energy: 1.386425400286392
Energy: 1.3912630620009911
Energy: 1.386425400286392
Energy: 1.8082410966661566
Energy: 1.4495937505459668
Energy: 1.48862766341127
Energy: 1.4495937505459668
Energy: 1.7448547926920839
Energy: 1.3884462586483195
Energy: 1.387343374080058
Energy: 1.3884462586472264
Energy: 1.5993878750926613
Energy: 1.7322280529802494
Energy: 1.6697673482713078
Energy: 1.7322280529645868
Energy: 1.6778225311326413
Energy: 1.8989987712938499
Energy: 2.3561215568891574
Energy: 1.8989987712949687
Energy: 1.4692971193319173
Energy: 1.8201850555324495
Energy: 1.7932102768247797
Energy: 1.8201850555324495
Energy: 1.6680939654499958
Energy: 1.7810289638905614
Energy: 1.558303618289027
Energy: 1.7810289638905614
Energy: 1.7414484416714333
Energy: 1.8121189256555112
Energy: 1.4270586916822698
Energy: 1.8121189256543926
Energy: 1.7626760870472202
Energy: 1.4437446129184777
Energy: 1.44169769877391
Energy: 1.4437446129184777

minimum gb energy = 1.3860947411893627 eV
minimum distance =  2.2829540677233 Angstroms
sigma value = 7


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

Energy: 2.4642776558722432
Energy: 1.6245950860584009
Energy: 1.7003594755694094
Energy: 1.6843977676921713
Energy: 1.7452196003532081
Energy: 2.043975167953257
Energy: 1.6692050367949562
Energy: 2.0439751679548395
Energy: 1.5380582208463631
Energy: 1.7591594629970626
Energy: 1.6435464077679298
Energy: 1.7591594629962715
Energy: 1.4706203956609964
Energy: 1.4385136877244058
Energy: 1.8986671048242452
Energy: 1.4385136877244058
Energy: 1.388021546778791
Energy: 1.383937505548818
Energy: 1.7157557004450823
Energy: 1.383937505548818
Energy: 1.733266038635699
Energy: 1.6869998978852614
Energy: 1.7172672284471433
Energy: 1.6869998978884255
Energy: 1.856871281534192
Energy: 1.3809436268815407
Energy: 1.8667525051844471
Energy: 1.3809436268807496
Energy: 1.7894584078508777
Energy: 1.3782539078898808
Energy: 1.4227509284722053
Energy: 1.3782539078922542
Energy: 1.6452581973984137
Energy: 1.9346024836356586
Energy: 1.4404947584787864
Energy: 1.9346024836340765
Energy: 1.8122819524590228
Energy: 2.0584232867431216
Energy: 1.5470419535024662
Energy: 2.0584232867415393
Energy: 1.6377355908260929
Energy: 1.4489659913088568
Energy: 1.8475519722507745
Energy: 1.4489659913128123
Energy: 1.6255783908067822
Energy: 1.4504054339779344
Energy: 1.9034396190857101
Energy: 1.4504054339763524
Energy: 1.5431607477246196
Energy: 1.6745189625995711
Energy: 1.5062192967290182
Energy: 1.6745189625979893
Energy: 1.627961163420094
Energy: 1.949098328947523
Energy: 1.481257114711026
Energy: 1.9490983289467316
Energy: 1.6422315717034486
Energy: 1.7610528669056695
Energy: 1.5115810517184478
Energy: 1.7610528669072518
Energy: 1.9763013765184492
Energy: 1.4526797684235662
Energy: 1.6773095038049068
Energy: 1.4526797684235662
Energy: 1.8923386450982929
Energy: 1.5070009417390133
Energy: 1.6653143283979706
Energy: 1.5070009417398043
Energy: 1.5365830617605725
Energy: 1.4382177498909388
Energy: 1.6413082337803335
Energy: 1.43821774989173
Energy: 1.4351379768536932
Energy: 1.6785809151693638
Energy: 1.6694054628773938
Energy: 1.678580915170946
Energy: 1.3822344609597812
Energy: 1.3792878629150287
Energy: 1.8002484672667876
Energy: 1.3792878629142378
Energy: 1.6245291688773302
Energy: 1.70046237047064
Energy: 1.7140117647384856
Energy: 1.700462370469849
Energy: 1.8108650787258775
Energy: 1.6775217063642083
Energy: 1.7653930954861479
Energy: 1.67752170636108
Energy: 1.8528920711277677
Energy: 1.3796831785836912
Energy: 1.38795120924793
Energy: 1.3796831785821089
Energy: 1.753457573897623
Energy: 1.4400421512827561
Energy: 1.4432731134784587
Energy: 1.4400421512859207
Energy: 1.7174128438638967
Energy: 1.7701900023440857
Energy: 1.5672215600019803
Energy: 1.770190002346459
Energy: 1.5985893959928204
Energy: 1.819507820661617
Energy: 1.5523673347596219
Energy: 1.819507820662408
Energy: 1.7103933474507438
Energy: 1.6850367522507335
Energy: 2.1345452717147992
Energy: 1.6850367522538976
Energy: 1.4654524417092105
Energy: 1.4609101584055995
Energy: 1.4622008735382321
Energy: 1.4609101583273192
Energy: 1.602003077614628
Energy: 2.02743734034511
Energy: 1.5469080779591844
Energy: 2.0274373403411543
Energy: 1.6402255068880816
Energy: 1.7687368849283576
Energy: 1.4807629317685318
Energy: 1.7687368850011003
Energy: 1.974987627833706
Energy: 1.4469242253582177
Energy: 1.45570400862304
Energy: 1.4469242253582177

minimum gb energy = 1.3782539078898808 eV
minimum distance =  2.2748321109087 Angstroms
sigma value = 29


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

Energy: 1.4415542176166924
Energy: 1.9808568828725712
Energy: 1.5610021379260932
Energy: 1.8343856395771039
Energy: 1.3669911671399404
Energy: 1.6497181468249196
Energy: 1.2831801330606345
Energy: 1.649718146824399
Energy: 1.4365708688171273
Energy: 1.6508627978727854
Energy: 1.3558680681215864
Energy: 1.6508627978725405
Energy: 1.3576928094251677
Energy: 1.649802503664323
Energy: 1.296045122239924
Energy: 1.6498025036640471
Energy: 1.356040083765094
Energy: 1.651159045330246
Energy: 1.4427523055948086
Energy: 1.651159045330246
Energy: 1.2968183800276134
Energy: 1.363875078333912
Energy: 1.4424883457732613
Energy: 1.363875078333912
Energy: 1.3580575223419409
Energy: 1.6503624975960844
Energy: 1.4406449061885043
Energy: 1.6503624975960844
Energy: 1.2828739704861143
Energy: 1.649224859982173
Energy: 1.2519196119559788
Energy: 1.6492248599826935
Energy: 1.3670772728721372
Energy: 1.983717446681422
Energy: 1.3516709342347433
Energy: 1.9837174466811465

minimum gb energy = 1.2519196119559788 eV
minimum distance =  2.31872723112338 Angstroms
sigma value = 5


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

Energy: 1.9420419694935358
Energy: 2.0230068361235114
Energy: 1.542971932478957
Energy: 1.8952702493965377
Energy: 1.689001588155513
Energy: 1.6056920678190953
Energy: 1.5516167007078854
Energy: 1.6056920678190953
Energy: 1.5814536613601407
Energy: 1.7923100840464408
Energy: 1.6747359508065351
Energy: 1.7923100840464408
Energy: 1.4087030769109177
Energy: 1.7161039204564899
Energy: 1.7364964843968416
Energy: 1.7161039204557427
Energy: 1.5420642435861815
Energy: 1.306290636113566
Energy: 2.077486928155308
Energy: 1.3062906361158078
Energy: 1.3382610440007823
Energy: 1.3095466664517914
Energy: 2.0770095804527986
Energy: 1.309546666448802
Energy: 1.3615665191015267
Energy: 1.3612188598016783
Energy: 1.7375813491355325
Energy: 1.36121885980392
Energy: 1.3725900118824672
Energy: 1.6928472938712085
Energy: 1.9287192605057277
Energy: 1.6928472938741974
Energy: 1.716197940888245
Energy: 1.8901237048101682
Energy: 1.7508281583334753
Energy: 1.8901237048094213
Energy: 1.675045346968018
Energy: 2.0480371838989764
Energy: 1.3007958668707065
Energy: 2.0480371838997233
Energy: 1.6321980281836168
Energy: 1.3120122363207696
Energy: 1.3205597260563469
Energy: 1.3120122378601968
Energy: 1.7965844077292255
Energy: 1.2986545119043755
Energy: 1.296591661265351
Energy: 1.2986545119036284
Energy: 1.927384964393896
Energy: 1.6524377217093786
Energy: 1.6746260584239434
Energy: 1.6524377217101258
Energy: 1.6121468390847882
Energy: 2.012511315031446
Energy: 1.6651778957808527
Energy: 2.01251131503294
Energy: 1.3527885611834016
Energy: 1.3760338475189695
Energy: 1.6234839814123916
Energy: 1.3760338252231243
Energy: 1.3358634680771353
Energy: 1.3697098608690301
Energy: 1.8007760375612611
Energy: 1.3697098608660414
Energy: 1.3082269945268385
Energy: 1.685472080164761
Energy: 2.522817619098985
Energy: 1.6854720801640135
Energy: 1.5635876618404931
Energy: 1.6043187746550718
Energy: 1.6863483128841792
Energy: 1.6043187746543246
Energy: 1.6723947883345307
Energy: 1.9442502450122576
Energy: 1.5841806942650165
Energy: 1.9442502450107633
Energy: 1.5612070982736308
Energy: 1.7756029430633604
Energy: 1.4088547958962934
Energy: 1.7756029430663496
Energy: 2.0729069548725243
Energy: 1.3179338967663363
Energy: 1.5463458455476562
Energy: 1.3179338967640946
Energy: 2.1242544526576337
Energy: 1.3100144101180262
Energy: 1.3439900505005633
Energy: 1.3100144101217626
Energy: 1.7374181021028299
Energy: 1.3769162324530528
Energy: 1.3824511307553737
Energy: 1.3769162324560418
Energy: 1.8367058748981375
Energy: 1.7350120015306538
Energy: 1.3689164343856084
Energy: 1.7350120015291595
Energy: 1.7517226269732245
Energy: 1.9223770924424965
Energy: 1.629804735633783
Energy: 1.9223770924424965
Energy: 1.6509549644381762
Energy: 2.0932178198312386
Energy: 1.6747618647788434
Energy: 2.0932178198312386
Energy: 1.330703307804006
Energy: 1.3054124604167774
Energy: 1.629694600718557
Energy: 1.305412460953787
Energy: 1.2943857140133153
Energy: 1.2923983632213083
Energy: 1.8432877960435128
Energy: 1.292398363224297
Energy: 1.669223546876092
Energy: 1.6521615575816833
Energy: 1.9299475169472928
Energy: 1.6521615575816833
Energy: 1.6152385583170152
Energy: 2.0134040942828086
Energy: 1.5684469731111144
Energy: 2.0134040942828086
Energy: 1.672170070292542
Energy: 1.7664813722794812
Energy: 1.3542887350655974
Energy: 1.7664813722839647
Energy: 1.6732139384422435
Energy: 1.365355647069825
Energy: 1.3786047622807953
Energy: 1.3653556470683303
Energy: 2.102846515110336
Energy: 1.3111423514826348
Energy: 1.3101872705534545
Energy: 1.3111423514803933

minimum gb energy = 1.2923983632213083 eV
minimum distance =  2.3014866029736 Angstroms
sigma value = 1


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

Energy: 2.075210758026485
Energy: 2.1127066747181353
Energy: 1.5018177245103346
Energy: 1.9326133973798896
Energy: 1.6291240317532392
Energy: 1.655130506575647
Energy: 1.5719964086345126
Energy: 1.6551305065735806
Energy: 1.576726216980276
Energy: 1.7474951840929964
Energy: 1.697589155240073
Energy: 1.74749518409403
Energy: 1.331549937629464
Energy: 1.9289009382486444
Energy: 1.7875508856351383
Energy: 1.9289009382486444
Energy: 1.6190827710328932
Energy: 1.268370906031554
Energy: 2.193750963651347
Energy: 1.268370906026388
Energy: 1.308656929501686
Energy: 1.2689598307356234
Energy: 2.193247469788649
Energy: 1.2689598307356234
Energy: 1.2884241491490342
Energy: 1.2886701056848573
Energy: 1.7601659491474257
Energy: 1.2886701063551307
Energy: 1.2849638504558363
Energy: 1.2940557730371154
Energy: 2.0530118044939956
Energy: 1.2940557725269428
Energy: 1.7508118818795153
Energy: 1.6661567320268298
Energy: 1.8516728314286204
Energy: 1.666156732027863
Energy: 1.7065945090571195
Energy: 2.0657276905239104
Energy: 1.288381127860025
Energy: 2.0657276905239104
Energy: 1.7125149833299382
Energy: 1.3087088398536888
Energy: 1.2863581188069333
Energy: 1.308708839854722
Energy: 1.9691132165352851
Energy: 1.2714771403131706
Energy: 1.270062836844957
Energy: 1.271477140314204
Energy: 2.047274685675892
Energy: 1.6510314722387227
Energy: 1.5285181873486597
Energy: 1.6510314722387227
Energy: 1.7378432143072766
Energy: 1.6873975857695505
Energy: 1.6108722182020137
Energy: 1.6873975857685173
Energy: 1.3356754203116856
Energy: 1.440953288905869
Energy: 1.6089255390989947
Energy: 1.440953288905869
Energy: 1.3186287408029183
Energy: 1.740068726262047
Energy: 1.7624682465858095
Energy: 1.7400687262599805
Energy: 1.5939615495407955
Energy: 1.6114118597257072
Energy: 2.287751966634714
Energy: 1.611411859724674
Energy: 1.2807762288770288
Energy: 1.2673599375505653
Energy: 1.7601357063630678
Energy: 1.2673599375484987
Energy: 1.288025609763818
Energy: 1.287129144102839
Energy: 1.8510173936703151
Energy: 1.2871291441018058
Energy: 1.317420026557702
Energy: 1.96661809682446
Energy: 2.0527075209141885
Energy: 1.96661809682446
Energy: 1.6050835980294746
Energy: 1.698730578793135
Energy: 1.7113275087949475
Energy: 1.6987305787921017
Energy: 1.6930685222829271
Energy: 1.2910882177398904
Energy: 1.2840689516064263
Energy: 1.2910882177398904
Energy: 1.711063142669819
Energy: 1.2965468645767828
Energy: 1.3120774301741187
Energy: 1.2965468645778158
Energy: 2.047417147464611
Energy: 1.2706929151974995
Energy: 1.2681922836093773
Energy: 1.2706929151974995

minimum gb energy = 1.2673599375484987 eV
minimum distance =  2.28194698771262 Angstroms
sigma value = 17


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

Energy: 2.2147721369692017
Energy: 1.9835454442520402
Energy: 1.5246837038582437
Energy: 1.8753996886286965
Energy: 1.7804652450088545
Energy: 1.5146179902695667
Energy: 1.459480464975807
Energy: 1.5146179902095955
Energy: 1.664828848760097
Energy: 1.636600854262564
Energy: 1.523240820210048
Energy: 1.6366008542612867
Energy: 1.73721843024273
Energy: 2.001562116601021
Energy: 1.624832767167821
Energy: 2.0015621166016597
Energy: 1.8644997266623171
Energy: 1.8410894607707016
Energy: 1.8697625326292893
Energy: 1.8410894607726171
Energy: 1.277327771953488
Energy: 1.2544448793577057
Energy: 2.1382901196875452
Energy: 1.2544448793557899
Energy: 1.2763756712094132
Energy: 1.2709321433954226
Energy: 1.7743382581491514
Energy: 1.27093214191838
Energy: 1.2607669766058678
Energy: 1.2577674305703193
Energy: 2.1832539112346634
Energy: 1.2577674305581859
Energy: 1.744586737192477
Energy: 1.492452532143414
Energy: 1.7843373464129173
Energy: 1.4924525321549087
Energy: 1.5266080699436666
Energy: 2.076958426979592
Energy: 1.476902671859568
Energy: 2.076958426980869
Energy: 1.7906437448532961
Energy: 1.5920649221521526
Energy: 1.300169945144441
Energy: 1.5920649214889289
Energy: 2.2110048499479413
Energy: 1.2686868035334964
Energy: 1.4516218790967153
Energy: 1.2686868034645267
Energy: 2.3346512076032355
Energy: 1.2678128675167688
Energy: 1.2875384123074158
Energy: 1.2678128675206004
Energy: 1.9235516437549165
Energy: 1.274351414206889
Energy: 1.2901820337169543
Energy: 1.2743513853303652
Energy: 1.7443260385092472
Energy: 1.285920011646721
Energy: 1.2950784566690587
Energy: 1.2859200186867954
Energy: 1.9772534877920607
Energy: 1.9842111025844018
Energy: 1.8499240084769573
Energy: 1.9842111025837632
Energy: 1.3094178083647714
Energy: 2.118616468122151
Energy: 1.9945957997687351
Energy: 2.118616468122151
Energy: 1.2715084666365086
Energy: 1.2860784233156766
Energy: 1.8676131763532982
Energy: 1.2860784233182312
Energy: 1.289900532983523
Energy: 1.2673980091462784
Energy: 2.044636114449659
Energy: 1.2673980091348414
Energy: 1.4660252731742887
Energy: 1.5245874867632787
Energy: 2.2152054384175073
Energy: 1.5245874867689682
Energy: 1.4581368286502903
Energy: 1.5231202211801986
Energy: 1.8355045461411326
Energy: 1.5231202211744512
Energy: 1.486169014715531
Energy: 1.6365471236735276
Energy: 1.6650639754760423
Energy: 1.6365471236767208
Energy: 1.6658966822387828
Energy: 1.914043527855552
Energy: 1.6676078548466662
Energy: 1.9140435278549133
Energy: 1.95773672974916
Energy: 1.8493686010350658
Energy: 1.86420962788691
Energy: 1.8493686010357044
Energy: 2.043193855812738
Energy: 1.2446552685833845
Energy: 1.273377190675419
Energy: 1.2446552685769985
Energy: 1.7769828697054737
Energy: 1.2811339219121227
Energy: 1.2780350153776179
Energy: 1.2811339218648659
Energy: 2.229294218834417
Energy: 1.6300815728640665
Energy: 1.2741136854189095
Energy: 1.6300815729375064
Energy: 1.7783407773599176
Energy: 1.625217354750243
Energy: 1.7740921087517583
Energy: 1.6252173547674276
Energy: 1.4736456319547888
Energy: 2.051628204220828
Energy: 1.5209323877217786
Energy: 2.0516282042201897
Energy: 1.3019885773559954
Energy: 1.7813397430533773
Energy: 1.793046360124322
Energy: 1.7813397430533773
Energy: 1.455759819802592
Energy: 1.2759117309807464
Energy: 2.213124780717649
Energy: 1.275911730981385
Energy: 1.2819224335716524
Energy: 1.2669503455671585
Energy: 2.280122238850329
Energy: 1.2669503455639657
Energy: 1.2876257743716126
Energy: 1.290837372082481
Energy: 1.9219257510211196
Energy: 1.2908373722261102
Energy: 1.302695925442015
Energy: 2.013038589567109
Energy: 1.743097124655054
Energy: 2.013038589565193
Energy: 1.853557260955892
Energy: 1.6415056321347614
Energy: 1.932841779907459
Energy: 1.6415056321322072
Energy: 1.9947634874716114
Energy: 1.7273979005174895
Energy: 1.3047858503825664
Energy: 1.7273979006349354
Energy: 1.8659841537327537
Energy: 1.3064783228691546
Energy: 1.2928194068218188
Energy: 1.3064783228487193
Energy: 2.048069608668668
Energy: 1.2634840756702692
Energy: 1.2935633193131362
Energy: 1.2634840756811254

minimum gb energy = 1.2446552685769985 eV
minimum distance =  2.27075031740994 Angstroms
sigma value = 89


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

Energy: 2.391472979229317
Energy: 2.101490576024991
Energy: 1.4393115573076574
Energy: 1.9024289174685507
Energy: 1.9391053251478934
Energy: 1.6501961948917143
Energy: 1.560797963418088
Energy: 1.6501961948917143
Energy: 1.1907498570743142
Energy: 1.6342429828739082
Energy: 1.749570635026272
Energy: 1.6342429828739082
Energy: 1.163309925312116
Energy: 1.68270056335133
Energy: 1.5624701914376844
Energy: 1.6827005633530008
Energy: 1.615243695621859
Energy: 1.6682861844998191
Energy: 1.7379151289137509
Energy: 1.6682861844998191
Energy: 1.18120106296878
Energy: 1.1921700829228552
Energy: 1.73872300551078
Energy: 1.1921700829228552
Energy: 1.1715291413605617
Energy: 1.1799410924052358
Energy: 1.9400643653277825
Energy: 1.1799410924052358
Energy: 1.1860529044965016
Energy: 1.626865664515474
Energy: 2.3160510406263444
Energy: 1.626865664515474
Energy: 1.5572205424959724
Energy: 1.6331269072838315
Energy: 1.9442826075857362
Energy: 1.6331269072855021
Energy: 1.7400450924545023
Energy: 1.6190587050853007
Energy: 1.6401800600580163
Energy: 1.619058705076946
Energy: 1.557594369417758
Energy: 1.6834806773495141
Energy: 1.1588555911159923
Energy: 1.6834806773495141
Energy: 1.7399832270815967
Energy: 1.7020039802544769
Energy: 1.6148505035737992
Energy: 1.7020039802544769
Energy: 1.7243687447221339
Energy: 1.1817824872267157
Energy: 1.177221820194763
Energy: 1.1817824872283866
Energy: 1.9384568170237817
Energy: 1.1667073868331967
Energy: 1.175738994978509
Energy: 1.1667073868331967
Energy: 1.9376454647167898
Energy: 1.6238219597046974
Energy: 1.19363433374917
Energy: 1.6238219597063683

minimum gb energy = 1.1588555911159923 eV
minimum distance =  2.20654341768266 Angstroms
sigma value = 13


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

Energy: 2.078117741245521
Energy: 1.9026839623874736
Energy: 1.4027125448341644
Energy: 1.8116481586837254
Energy: 2.1079750621352993
Energy: 1.3357780488851116
Energy: 1.3105949592082247
Energy: 1.3357780488844115
Energy: 1.8753390884708143
Energy: 1.336948857508032
Energy: 1.3407234433470692
Energy: 1.3369488575115336
Energy: 1.5668522315285875
Energy: 1.9115184829273046
Energy: 1.4944570201359433
Energy: 1.9115184829252037
Energy: 1.7910440580148292
Energy: 1.9535438194721793
Energy: 1.7216317403529529
Energy: 1.9535438194714791
Energy: 1.311148283013941
Energy: 1.3835629155122677
Energy: 1.7191550614782365
Energy: 1.383562915207744
Energy: 1.3102904399892292
Energy: 1.3357668126152742
Energy: 2.1404890236452645
Energy: 1.3357668126173752
Energy: 1.415007138504377
Energy: 1.3977180887726348
Energy: 2.2564346898333696
Energy: 1.3977180887712342
Energy: 1.1088319740086117
Energy: 1.117778738414275
Energy: 2.1354814018208534
Energy: 1.1177787384184132
Energy: 1.0959130065014415
Energy: 1.0877852701561441
Energy: 2.122621185623055
Energy: 1.0877852701533426
Energy: 1.1160733094220758
Energy: 1.8029073249121697
Energy: 2.086730398169961
Energy: 1.8029073249086682
Energy: 1.656837742295333
Energy: 1.5503554393745897
Energy: 2.1531249451570265
Energy: 1.5503554393815295
Energy: 1.7237704822880895
Energy: 1.7848047233765814
Energy: 1.6588005362831533
Energy: 1.7848047233765814
Energy: 1.8359757849078944
Energy: 1.7524396474611772
Energy: 1.5806513829588196
Energy: 1.7524396474618775
Energy: 2.127250789950117
Energy: 1.6285948344830596
Energy: 1.6591597438708732
Energy: 1.6285948344809587
Energy: 2.0413030426056697
Energy: 1.1045093442684089
Energy: 1.1071111233519526
Energy: 1.104509344276113
Energy: 2.1314959516846406
Energy: 1.090280652203458
Energy: 1.0950672835042377
Energy: 1.0902806522048587
Energy: 2.0624135843002613
Energy: 1.3957950536827242
Energy: 1.130011347944503
Energy: 1.395795053682024
Energy: 2.2181651320431692
Energy: 1.3829960936185364
Energy: 1.3152125828603114
Energy: 1.382996093619937
Energy: 2.0496008834278663
Energy: 1.3348686504694816
Energy: 1.3315789083968108
Energy: 1.3348686512604921
Energy: 1.5750001719136855
Energy: 2.0329078399786242
Energy: 1.3280204251296357
Energy: 2.0329078399786242
Energy: 1.981922796672551
Energy: 1.9067463435689995
Energy: 1.7186260254217083
Energy: 1.9067463435696999
Energy: 1.312106821235228
Energy: 1.5277239383305887
Energy: 1.808183786469977
Energy: 1.52772393833339
Energy: 1.0974491056094666
Energy: 1.3307617802874316
Energy: 1.9723707270448019
Energy: 1.3307617829532088
Energy: 1.3207847934704486
Energy: 1.3958223817026207
Energy: 2.125620107936167
Energy: 1.3958223816991193
Energy: 1.1123269095677621
Energy: 1.1415883989129478
Energy: 2.0432043148516312
Energy: 1.1415883989038431
Energy: 1.086118980140363
Energy: 1.0864647950705695
Energy: 2.122145977314579
Energy: 1.0864647950719704
Energy: 1.1209187864700743
Energy: 1.3885781582918195
Energy: 2.0383555270104647
Energy: 1.3885781582918195
Energy: 1.6525163719432838
Energy: 1.562437272082671
Energy: 2.1593112680599615
Energy: 1.562437272083371
Energy: 1.3349190078656623
Energy: 1.7274415518924187
Energy: 1.661077527682809
Energy: 1.7274415518903177
Energy: 1.727923833911385
Energy: 1.8069396890917877
Energy: 1.5922632941723496
Energy: 1.80693968909599
Energy: 2.0593822703156803
Energy: 1.8548160522622548
Energy: 1.6825741116308963
Energy: 1.8548160522601538
Energy: 2.1270993343143854
Energy: 1.1004239641038334
Energy: 1.1170121972106783
Energy: 1.1004239640779203
Energy: 2.129638424378382
Energy: 1.09128575796913
Energy: 1.0812732072114044
Energy: 1.0912857579684296
Energy: 2.312246375546123
Energy: 1.1216993298874056
Energy: 1.126620892290244
Energy: 1.1216993298895068

minimum gb energy = 1.0812732072114044 eV
minimum distance =  2.26683464564482 Angstroms
sigma value = 37


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

Energy: 1.8167143302612743
Energy: 2.023475556567713
Energy: 1.3075274938949437
Energy: 1.8170374079780829
Energy: 2.2369322061552057
Energy: 1.372339189000978
Energy: 1.3453905859362236
Energy: 1.372339189000978
Energy: 1.6455048438708992
Energy: 1.3658480334795056
Energy: 1.3887552936063328
Energy: 1.3658480334783007
Energy: 1.803919040903543
Energy: 1.7692258647099384
Energy: 1.3463917924576438
Energy: 1.7692258647099384
Energy: 1.6534721923583782
Energy: 1.7915220869406348
Energy: 1.38633129340222
Energy: 1.7915220869394297
Energy: 1.3247971062051098
Energy: 1.420996128835795
Energy: 1.613132185799555
Energy: 1.4209961288345903
Energy: 0.9887394544240334
Energy: 1.364598407951196
Energy: 1.9312768137820988
Energy: 1.3645984079524007
Energy: 1.0726721470469265
Energy: 1.4443788056468163
Energy: 2.0249916819835763
Energy: 1.4443788056468163
Energy: 0.9912517972699062
Energy: 1.0165139207569815
Energy: 1.9395383317360362
Energy: 1.0165139207593916
Energy: 1.0120856962239422
Energy: 0.9899071547388949
Energy: 2.2400717702945805
Energy: 0.9899071547388949
Energy: 1.3075528838758346
Energy: 1.8170374079780829
Energy: 1.8167143302624793
Energy: 2.023475556568918
Energy: 1.3453905859350186
Energy: 1.372339189000978
Energy: 2.2369322061540005
Energy: 1.372339189000978
Energy: 1.3887552936063328
Energy: 1.365848033472276
Energy: 1.6455048438708992
Energy: 1.3658480334710712
Energy: 1.3463917924576438
Energy: 1.7692258647099384
Energy: 1.803919040903543
Energy: 1.7692258647099384
Energy: 1.38633129340222
Energy: 1.7915220869406348
Energy: 1.6534721923583782
Energy: 1.7915220869418396
Energy: 1.613132185799555
Energy: 1.4209961288369999
Energy: 1.3247971062051098
Energy: 1.420996128835795
Energy: 1.9312768137808938
Energy: 1.3645984079536055
Energy: 0.9887394544228286
Energy: 1.364598407951196
Energy: 2.0249916819847815
Energy: 1.4443788056468163
Energy: 1.0726721470481315
Energy: 1.4443788056456113
Energy: 1.9395383317348587
Energy: 1.0165139207581866
Energy: 0.9912517972699062
Energy: 1.0165139207593916
Energy: 2.2400717702945805
Energy: 0.9899071547388949
Energy: 1.0120856962215323
Energy: 0.9899071547388949

minimum gb energy = 0.9887394544228286 eV
minimum distance =  2.34120241000546 Angstroms
sigma value = 25


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

Energy: 2.1685333884210505
Energy: 1.8564407146529778
Energy: 1.2127623758514117
Energy: 1.6972227864749867
Energy: 2.38243619171238
Energy: 1.1789395408339307
Energy: 1.1788960138630353
Energy: 1.1789395408339307
Energy: 1.9058375626500383
Energy: 1.1709929230610365
Energy: 1.1742563822744378
Energy: 1.1709929230629184
Energy: 1.4884232761946445
Energy: 1.6148747803528807
Energy: 1.2111865207962422
Energy: 1.6148747803528807
Energy: 1.9411410644529932
Energy: 1.5589457790274124
Energy: 1.6743319039848796
Energy: 1.5589457790274124
Energy: 1.4588025999750525
Energy: 1.6226451423239192
Energy: 1.66717550223912
Energy: 1.6226451423239192
Energy: 1.4761115522096944
Energy: 1.574302958601673
Energy: 1.9404980901960773
Energy: 1.574302958602614
Energy: 1.153015764779332
Energy: 1.6151900312605643
Energy: 1.7729102773212575
Energy: 1.6151900312577419
Energy: 1.1473408212631946
Energy: 1.2516030437132195
Energy: 2.1815279941950827
Energy: 1.2516030437103967
Energy: 1.1525370842924114
Energy: 1.1719494854927206
Energy: 2.385612758199519
Energy: 1.171949485438149
Energy: 1.241735895048258
Energy: 1.6971377804287169
Energy: 1.833180466867588
Energy: 1.6971377804296577
Energy: 0.867759169560769
Energy: 0.8652147976118764
Energy: 2.3740369607457366
Energy: 0.8652147976109354
Energy: 0.9031760293404597
Energy: 0.8673519966744796
Energy: 2.3892773438455017
Energy: 0.8673519966744796
Energy: 0.9397936442592746
Energy: 1.2715395945035872
Energy: 2.069820994272904
Energy: 1.271539594505469
Energy: 1.1721989220710711
Energy: 1.1699126665837607
Energy: 2.1474164334866748
Energy: 1.1699126665828197
Energy: 1.1797721538035226
Energy: 1.2627201890809832
Energy: 1.9099949488640802
Energy: 1.2627201890809832
Energy: 1.7400339953782253
Energy: 1.6343345590623441
Energy: 1.918776800309994
Energy: 1.6343345590614033
Energy: 1.1831136692441253
Energy: 1.6210523817415279
Energy: 1.670844824435173
Energy: 1.6210523817424687
Energy: 1.6654385712044975
Energy: 1.5526028024409995
Energy: 1.4778049933900057
Energy: 1.5526028024419403
Energy: 2.177115624685589
Energy: 1.5942385500069902
Energy: 1.4539702773766785
Energy: 1.5942385500069902
Energy: 1.8344679740247658
Energy: 1.8318887573917912
Energy: 1.1623559878755705
Energy: 1.8318887573908504
Energy: 2.145794369857069
Energy: 1.2523778515287747
Energy: 0.8652030984643367
Energy: 1.2523778515306565
Energy: 2.1330488121247178
Energy: 1.2532976423676878
Energy: 1.1513458929902245
Energy: 1.2532976423676878
Energy: 1.7965359931625695
Energy: 1.2359240072589204
Energy: 0.9339259130550323
Energy: 1.235924007262684
Energy: 2.3689460711116364
Energy: 0.8604357290567332
Energy: 0.8640309712332988
Energy: 0.8604357290557922
Energy: 1.989966594292866
Energy: 0.8670788527221237
Energy: 0.9093868074520208
Energy: 0.8670788527230646

minimum gb energy = 0.8604357290557922 eV
minimum distance =  2.34235813960586 Angstroms
sigma value = 41


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

Energy: 2.416916607685034
Energy: 1.7446456964643615
Energy: 1.140097472863017
Energy: 1.6097043901768588
Energy: 2.465144216006678
Energy: 1.0511082663980529
Energy: 1.0290543280869058
Energy: 1.0511082663903388
Energy: 2.092888979940117
Energy: 1.1229095919740752
Energy: 1.0272587071536996
Energy: 1.122909591973304
Energy: 1.753041313265005
Energy: 1.4455516348810828
Energy: 1.026513816905854
Energy: 1.4455516348810828
Energy: 2.1204022693986024
Energy: 1.379644417776554
Energy: 1.4549899058259574
Energy: 1.379644417776554
Energy: 1.657458724270138
Energy: 1.4728354786930704
Energy: 1.4540266000014839
Energy: 1.4728354786930704
Energy: 1.7072976439878595
Energy: 1.4862709431696817
Energy: 1.922633409584385
Energy: 1.4862709431704533
Energy: 1.496470016124814
Energy: 1.4722438504291833
Energy: 1.5126626411739519
Energy: 1.4722438504276405
Energy: 1.2724522971697316
Energy: 1.461085147567623
Energy: 1.8643642790331116
Energy: 1.4610851475668516
Energy: 1.2636909829142133
Energy: 1.3966456069895883
Energy: 2.2900304992286693
Energy: 1.3966456069911306
Energy: 1.0421302110424708
Energy: 1.7322291019833873
Energy: 2.1401780349329145
Energy: 1.7322291019833873
Energy: 1.0222211975902828
Energy: 1.113466202864331
Energy: 2.288823667953639
Energy: 1.113466202829654
Energy: 1.0286539730896216
Energy: 1.1069931033564577
Energy: 2.2867898500797885
Energy: 1.1069931033556861
Energy: 0.8173703124236789
Energy: 1.0995797053682472
Energy: 1.9920080529119086
Energy: 1.0995797053520484
Energy: 0.7787657323886257
Energy: 0.7691112087523412
Energy: 2.463278334570862
Energy: 0.7691112087523412
Energy: 0.8287225999815445
Energy: 0.7804859680232428
Energy: 2.0701619045849187
Energy: 0.7804859680232428
Energy: 1.0614623409302941
Energy: 1.1124309766953147
Energy: 2.1507737601065644
Energy: 1.1124309766960858
Energy: 1.0184576565475871
Energy: 1.028005040082407
Energy: 2.2645526181897657
Energy: 1.028005040077779
Energy: 1.0372718821750526
Energy: 1.4287431854049775
Energy: 1.7054729063773628
Energy: 1.4287431854065205
Energy: 1.4578982049830091
Energy: 1.4476359610927354
Energy: 1.7048876092460372
Energy: 1.4476359610927354
Energy: 1.5777751750003373
Energy: 1.4509433519225632
Energy: 1.8890841167709524
Energy: 1.4509433519233343
Energy: 1.4607053857573649
Energy: 1.4707020592009745
Energy: 1.7523106568747793
Energy: 1.470702059201746
Energy: 1.917139494104283
Energy: 1.4635101852165577
Energy: 1.6564419321593067
Energy: 1.4635101852165577
Energy: 1.5110721128158908
Energy: 1.4617324339470876
Energy: 1.4773242417658712
Energy: 1.4617324339470876
Energy: 1.863921738541792
Energy: 1.3735601756849571
Energy: 1.2908680326378366
Energy: 1.3735601756872713
Energy: 1.8644411078500984
Energy: 1.4620078740721985
Energy: 1.4869891354463105
Energy: 1.4620078740721985
Energy: 1.9128385238534986
Energy: 1.4396405308879943
Energy: 1.0293756908531737
Energy: 1.4396405308879943
Energy: 2.28784399947804
Energy: 1.1421347385449017
Energy: 1.0409349574014133
Energy: 1.1421347385449017
Energy: 1.943048440849398
Energy: 1.1123350302398827
Energy: 1.036153879753831
Energy: 1.1123350302398827
Energy: 1.9109958624675445
Energy: 0.7822470178907552
Energy: 0.7913885483843396
Energy: 0.7822470178899837
Energy: 2.462816453997102
Energy: 0.7734470290124268
Energy: 0.7776796426850543
Energy: 0.7734470290116553
Energy: 2.1555498619061493
Energy: 1.0971282295299878
Energy: 0.8092186548911164
Energy: 1.0971282295022184

minimum gb energy = 0.7691112087523412 eV
minimum distance =  2.25133759099574 Angstroms
sigma value = 15


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

Energy: 2.0573441147911775
Energy: 1.6579337188316008
Energy: 1.0838612805677634
Energy: 1.5441159289668556
Energy: 2.516606226852581
Energy: 0.9312182698335212
Energy: 0.9201356866632786
Energy: 0.931218269588592
Energy: 2.2194713870714513
Energy: 1.0112968724521527
Energy: 0.9192973174225083
Energy: 1.0112968724534597
Energy: 1.9356045465855625
Energy: 1.2935471016953257
Energy: 0.9160684254836654
Energy: 1.2935471016946722
Energy: 2.2188550626377253
Energy: 1.2369359011113559
Energy: 1.2951415982702312
Energy: 1.2369359011133165
Energy: 1.8233012873382264
Energy: 1.3359908916240348
Energy: 1.2997011627621076
Energy: 1.335990891622728
Energy: 1.5283284158091663
Energy: 1.357254894124912
Energy: 1.7110699898242825
Energy: 1.3572548941242586
Energy: 1.6616045792764695
Energy: 1.337135208620222
Energy: 1.3267493435737199
Energy: 1.3371352086215287
Energy: 1.4957771640351771
Energy: 1.3371994322306555
Energy: 1.6456731080221039
Energy: 1.337199432230002
Energy: 1.499488160688791
Energy: 1.3379860891441566
Energy: 2.0469071223470863
Energy: 1.3379860891441566
Energy: 1.319173059864546
Energy: 1.5962414260803603
Energy: 1.8246292103779551
Energy: 1.5962414260810138
Energy: 1.1230559874365849
Energy: 1.2493341076895144
Energy: 2.0472918267803406
Energy: 1.2493341076908215
Energy: 1.2929537562069684
Energy: 1.2655127090045826
Energy: 2.023939956182309
Energy: 1.2655127090058897
Energy: 0.9364546958041184
Energy: 1.2842172070422893
Energy: 1.7333731050843721
Energy: 1.2842172070370614
Energy: 0.9184123692913777
Energy: 0.9391086268688189
Energy: 2.363006984528266
Energy: 0.939108626722503
Energy: 0.9220562740051502
Energy: 0.9956110194085949
Energy: 2.0024998912054146
Energy: 0.9956110193987929
Energy: 0.71503564117513
Energy: 0.7109348153954992
Energy: 2.0605520201845713
Energy: 0.710934815396806
Energy: 0.6986437557273626
Energy: 0.7052202274842
Energy: 2.510383843264168
Energy: 0.7052202274842
Energy: 0.7545768600892233
Energy: 0.7021000408848368
Energy: 1.8814060071864422
Energy: 0.7021000408894111
Energy: 0.9527071624319979
Energy: 0.9974242250652904
Energy: 2.185205009517914
Energy: 0.9974242250639834
Energy: 0.9258759529302233
Energy: 0.9560969760422474
Energy: 2.408371235976633
Energy: 0.9560969760389801
Energy: 0.9323550523306242
Energy: 1.2883588250532676
Energy: 1.9339216739239329
Energy: 1.2883588250519604
Energy: 1.2937064039002324
Energy: 1.2970772958451133
Energy: 1.820807917685754
Energy: 1.2970772958523016
Energy: 1.3260360732047567
Energy: 1.3034189120844784
Energy: 2.0199912911893843
Energy: 1.3034189120831714
Energy: 1.3041623469946877
Energy: 1.5996596575670057
Energy: 1.5766983069873655
Energy: 1.5996596575670057
Energy: 1.6459305473138757
Energy: 1.3377051120103491
Energy: 2.04541450342755
Energy: 1.3377051120103491
Energy: 1.3273536178457095
Energy: 1.3268085984267182
Energy: 1.6708970661452018
Energy: 1.3268085984273714
Energy: 1.659269424518656
Energy: 1.3388227203855103
Energy: 1.5326923932588372
Energy: 1.3388227203848568
Energy: 1.6964092837961797
Energy: 1.3393808601978552
Energy: 1.6781221470597725
Energy: 1.3393808601978552
Energy: 1.6772383771159516
Energy: 1.3307136996416369
Energy: 1.3028536373707258
Energy: 1.3307136996449043
Energy: 2.010167202817616
Energy: 1.2589752865796655
Energy: 1.1228541787977822
Energy: 1.2589752865796655
Energy: 1.7320659453504343
Energy: 1.3014750425367696
Energy: 1.3286378993222328
Energy: 1.3014750425367696
Energy: 1.999596973525282
Energy: 1.0124392440866545
Energy: 0.9154902125118889
Energy: 1.0124392440879615
Energy: 2.373191925166909
Energy: 0.9347187382606732
Energy: 0.9152712009458236
Energy: 0.9347187382606732
Energy: 2.1368732435528104
Energy: 1.5446854713151954
Energy: 1.0848267214459415
Energy: 1.5446854713158489
Energy: 2.366320212474423
Energy: 0.7027790000768684
Energy: 0.7065142173383865
Energy: 0.702779000076215
Energy: 2.196128821412301
Energy: 0.6992367379505596
Energy: 0.7046915538600979
Energy: 0.6992367379518666

minimum gb energy = 0.6986437557273626 eV
minimum distance =  2.32148043711599 Angstroms
sigma value = 85


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

Energy: 2.2076958410501257
Energy: 1.5507506403330422
Energy: 1.0012227960152482
Energy: 1.4454933638404157
Energy: 2.612311852398576
Energy: 0.8282602025294343
Energy: 0.8180021605921323
Energy: 0.8282602025305678
Energy: 1.9303474156579274
Energy: 0.9082476000772616
Energy: 0.8163882117668755
Energy: 0.9082476000772616
Energy: 1.6967959171172677
Energy: 0.9078818515993186
Energy: 0.8111533633148889
Energy: 0.9078818515896837
Energy: 2.293354681554885
Energy: 1.1023660415535976
Energy: 1.1745264766022805
Energy: 1.102366041550197
Energy: 1.654030177921056
Energy: 1.196427056205637
Energy: 1.1741966681986293
Energy: 1.196427056207337
Energy: 1.6562113254277198
Energy: 1.2193407170169033
Energy: 1.5004565008992024
Energy: 1.2193407170163366
Energy: 1.8093199713322647
Energy: 1.19971200781443
Energy: 1.170772210154754
Energy: 1.19971200781273
Energy: 1.6147299926176233
Energy: 1.2188429111371568
Energy: 1.4629396718286913
Energy: 1.2188429111371568
Energy: 1.6170974387956216
Energy: 1.2235115983897233
Energy: 1.820268375769347
Energy: 1.2235115983897233
Energy: 1.4601845718153053
Energy: 1.355007657208042
Energy: 1.6014514053233009
Energy: 1.355007657207475
Energy: 1.3483839451775053
Energy: 1.197210484301269
Energy: 1.7766325549192645
Energy: 1.197210484301269
Energy: 1.4815101516952776
Energy: 1.201115829797157
Energy: 1.7733557642592208
Energy: 1.2011158297977234
Energy: 1.1543275072412722
Energy: 1.1981864925837458
Energy: 1.522027014653088
Energy: 1.1981864925831789
Energy: 1.0098428278776723
Energy: 1.1111792569667456
Energy: 2.1311737521201004
Energy: 1.1111792569661791
Energy: 1.1535242974861837
Energy: 1.1350811798591165
Energy: 1.8255056635369586
Energy: 1.1350811798591165
Energy: 0.8112090492092533
Energy: 0.9113334121335005
Energy: 1.8162874481345999
Energy: 0.9113334121335005
Energy: 0.8256040509270518
Energy: 0.832029478740022
Energy: 2.4385365150672014
Energy: 0.8320294787360547
Energy: 0.822777239745951
Energy: 0.8871583673881498
Energy: 2.085051409445223
Energy: 0.8871583673932505
Energy: 0.6227066934791677
Energy: 0.6246811524302125
Energy: 2.0864941963649573
Energy: 0.6246811524302125
Energy: 0.6325979632892684
Energy: 0.632463448353562
Energy: 2.6386308179674045
Energy: 0.632463448353562
Energy: 0.660465430515406
Energy: 0.6225331194291956
Energy: 2.0340152501218904
Energy: 0.6225331194280622
Energy: 0.8097047252352386
Energy: 0.8399950314136395
Energy: 2.2614823255504417
Energy: 0.8399950314130727
Energy: 0.8109109988837321
Energy: 0.8229589183226143
Energy: 2.481017196112695
Energy: 0.8229589183214807
Energy: 0.810111771623382
Energy: 1.542659495792975
Energy: 1.7507432502849474
Energy: 1.5426594957935416
Energy: 1.1483395303255561
Energy: 1.1024661270151674
Energy: 2.272281493905732
Energy: 1.1024661270140341
Energy: 1.1753278716635025
Energy: 1.1763759929513127
Energy: 1.9526236749065038
Energy: 1.176375992950746
Energy: 1.1543283250318919
Energy: 1.513028675807006
Energy: 1.6945833526239773
Energy: 1.513028675806439
Energy: 1.4620669218751658
Energy: 1.2078227407685551
Energy: 2.1239675045700253
Energy: 1.2078227407685551
Energy: 1.458807194860898
Energy: 1.2180935413442247
Energy: 1.615060225353313
Energy: 1.2180935413447915
Energy: 1.8748485728176907
Energy: 1.232727069037569
Energy: 1.345361678746762
Energy: 1.2327270690381358
Energy: 1.5238050565692334
Energy: 1.2365140545971547
Energy: 1.6572793959782195
Energy: 1.2365140545977216
Energy: 1.7742721814316595
Energy: 1.2080513626337217
Energy: 1.3267726207348103
Energy: 1.2080513626331548
Energy: 2.123825907502105
Energy: 1.2048963635868801
Energy: 1.324724105041133
Energy: 1.2048963635863132
Energy: 1.550996513612688
Energy: 1.5151079612947502
Energy: 1.1571187235315066
Energy: 1.5151079612941836
Energy: 2.12386599511599
Energy: 1.1495999278116102
Energy: 1.1741964849749122
Energy: 1.1495999278110434
Energy: 2.1247773862957473
Energy: 1.1180394200619483
Energy: 1.1556503661919786
Energy: 1.1180394200619483
Energy: 1.8654383481078243
Energy: 0.9080548151817361
Energy: 0.8291210203116901
Energy: 0.9080548151783356
Energy: 2.4804408159757183
Energy: 0.8882575483098957
Energy: 0.8106931659939144
Energy: 0.8882575483093288
Energy: 2.089706562059275
Energy: 0.8870661995580811
Energy: 0.8091435493491882
Energy: 0.8870661995592146
Energy: 1.8650958795944539
Energy: 0.6241795871670343
Energy: 0.6264653322273467
Energy: 0.6241795871670343
Energy: 2.648274323878013
Energy: 0.6209462293243013
Energy: 0.6327396337508074
Energy: 0.6209462293248681
Energy: 1.9848097540165508
Energy: 0.6244230197995836
Energy: 0.6585936960296714
Energy: 0.6244230198012838

minimum gb energy = 0.6209462293243013 eV
minimum distance =  2.32340986860247 Angstroms
sigma value = 113


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

Energy: 0.017796135016920973
Energy: 0.018597642343820314
Energy: 1.6766605103108039
Energy: 0.5210403853981073
Energy: 0.018577800533758102
Energy: 0.13823779276318823
Energy: 1.2906370129450715
Energy: 0.13823779276318823
Energy: 0.01855511597791091
Energy: 0.13636284208360197
Energy: 1.289098494256769
Energy: 0.13636284208403768
Energy: 0.019911885231238217
Energy: 0.13905014024541584
Energy: 1.6756428503567642
Energy: 0.13905014024498016
Energy: 1.6772713038592808
Energy: 0.13843577391190504
Energy: 1.2909206036007868
Energy: 0.13843577391190504
Energy: 0.018421318674810314
Energy: 0.13642065763704903
Energy: 1.2890591067749082
Energy: 0.13642065763704903

minimum gb energy = 0.017796135016920973 eV
minimum distance =  2.54475105619241 Angstroms
sigma value = 1