Model name: model_name=EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147199973464012
cohesive_energy=6.820536450052486
mass=95.95
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=[1.475574238557954e-21, 2.72985263607456e-20, 4.9647448446075e-20, 6.895640058605279e-20, 1.0447393286155498e-19, 1.5573220969545358e-19, 2.2250868875328598e-19, 3.4502072724872997e-19, 4.70389446682596e-19, 5.834518473907079e-19, 6.764165444019241e-19, 7.526641304139839e-19, 8.18148293798832e-19, 8.76962595856338e-19, 9.29055766934214e-19, 9.73665170954676e-19, 1.010173969913634e-18, 1.0385100658625578e-18, 1.059114057375798e-18, 1.0733109445296719e-18, 1.082757377963736e-18, 1.0886309575039798e-18, 1.091745588880476e-18, 1.092684464388e-18, 1.091644651752534e-18, 1.087994893380282e-18, 1.081392323471568e-18, 1.071758435371326e-18, 1.05895063535913e-18, 1.042722188233344e-18, 1.0226709476588338e-18, 9.97702626994578e-19, 9.660436167067378e-19, 9.255005369833679e-19, 8.73373720196178e-19, 8.063706933622979e-19, 7.20737556628266e-19, 6.11203148868222e-19, 4.696364236646159e-19, 2.83543607625516e-19, 3.38062474127268e-20, -3.05890767316548e-19, -7.681956307039799e-19, -1.3917723897165838e-18, -2.2275221960165398e-18, -3.34645031366946e-18, -4.88785638794184e-18, -7.0981231416102e-18, -1.034400482796348e-17, -1.4992752375047158e-17, -2.1454426870567197e-17, -3.10817460466098e-17, -4.68854561467224e-17, -7.327042139076119e-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: 0.017352319134595055
Energy: 0.2642783691245395
Energy: 0.2645508770120899
Energy: 0.26474185016505497
Energy: 0.26477827324168784
Energy: 0.017892459920390402
Energy: 0.26439065592856237
Energy: 1.7800357278359935
Energy: 0.2645497165977151
Energy: 0.2650622602302195
Energy: 0.2653416502412764
Energy: 0.26540271457136455
Energy: 0.26706540210769597
Energy: 0.26457113153028033
Energy: 1.7798260865391426
Energy: 0.017787838083438458
Energy: 0.264583928886341
Energy: 0.2642244593580549
Energy: 0.26474255726967166
Energy: 0.2648137361702453
Energy: 0.017787838353168245
Energy: 0.017556454535430196
Energy: 0.26459586023190756
Energy: 0.26472143416781907
Energy: 0.26450355338648224
Energy: 0.2655484289913712
Energy: 0.26471469319537727
Energy: 0.2647926169558209
Energy: 1.7636177855755122
Energy: 0.2647824845828016
Energy: 0.01789245985648646
Energy: 0.26521765656323526
Energy: 0.2642246574430692
Energy: 0.26466353057226205
Energy: 0.26484503060302694
Energy: 0.017829591535369244

minimum gb energy = 0.017352319134595055 eV
minimum distance =  2.72267296918576 Angstroms
sigma value = 1


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

Energy: 3.30955528179909
Energy: 2.1131561488770454
Energy: 2.111792428382229
Energy: 2.1987854774002935
Energy: 2.115622639613551
Energy: 2.09521251194055
Energy: 2.520160601290939
Energy: 2.234741996634262
Energy: 2.1214784788360403
Energy: 2.2269120943642773
Energy: 2.1206670708595006
Energy: 2.233511495105075
Energy: 2.3407080142563443
Energy: 2.172078108371749
Energy: 2.1643383283115956
Energy: 2.4109703195620344
Energy: 2.1597359756236774
Energy: 2.1734949289408703
Energy: 2.2508997847071996
Energy: 2.1956976900984753
Energy: 2.122925182322268
Energy: 2.1355804410118187
Energy: 2.1447665590057867
Energy: 2.176591026242527
Energy: 2.4098181703492343
Energy: 2.1788921356550506
Energy: 2.2378999845543874
Energy: 2.4602533686648282
Energy: 2.353670064078625
Energy: 2.27987528575954
Energy: 2.5231971817105925
Energy: 2.1651516205561454
Energy: 2.1513615897085043
Energy: 2.2833077851729002
Energy: 2.149839737569023
Energy: 2.171413428461271
Energy: 2.5017841646634214
Energy: 2.14485311272927
Energy: 2.1546483658787694
Energy: 2.2511467328932153
Energy: 2.153036284597974
Energy: 2.1513089081870462
Energy: 2.4891388186011816
Energy: 2.2802927496865935
Energy: 2.280807458531971
Energy: 2.3869526987039844
Energy: 2.2783774224458138
Energy: 2.312772953509368
Energy: 2.3620136492363635
Energy: 2.1621354640877537
Energy: 2.1800360749179957
Energy: 2.242001595206926
Energy: 2.162605475275135
Energy: 2.443829224558125
Energy: 2.7487269048082137
Energy: 2.149929538911836
Energy: 2.153670405403821
Energy: 2.169891657576147
Energy: 2.154010316915281
Energy: 2.2030138363832976
Energy: 2.4623812116001536
Energy: 2.6173762884003438
Energy: 2.1759218275188226
Energy: 2.3994423560761993
Energy: 2.1132002898524704
Energy: 2.288856238658802
Energy: 2.353661287971831
Energy: 2.0963024460929947
Energy: 2.0873174444477756
Energy: 2.407092943725254
Energy: 2.088082665743394
Energy: 2.262097064784274
Energy: 2.3581994043982033
Energy: 2.094204176405544
Energy: 2.0884737625038716
Energy: 2.4041028715682966
Energy: 2.0867203950918327
Energy: 2.151149456240321
Energy: 2.492455341251962
Energy: 2.172770160820287
Energy: 2.036948600507228
Energy: 2.1736033262251517
Energy: 2.201917097171256
Energy: 2.1695567314407582
Energy: 3.0114157453154458
Energy: 2.1144603433059563
Energy: 2.124986891759793
Energy: 2.0317634425204685
Energy: 2.116634955890129
Energy: 2.128569900650807
Energy: 2.4277142706613706
Energy: 2.2671616864785236
Energy: 2.1243345819403494
Energy: 2.2686468445143544
Energy: 2.120179598963992
Energy: 2.4631610189563125
Energy: 2.473804047728059
Energy: 2.2358883250625925
Energy: 2.5354702100274444
Energy: 2.3736822955634937
Energy: 2.148253391697203
Energy: 2.252621110676745
Energy: 2.4582487147986307
Energy: 2.1613611257571597
Energy: 2.1618611132754175
Energy: 2.661202840691171
Energy: 2.1599740031129353
Energy: 2.1791224170487133
Energy: 2.486095893753857
Energy: 2.163166815301092
Energy: 2.6668165626191667
Energy: 2.3420339807151964
Energy: 2.1470417178025123
Energy: 2.307539268280813
Energy: 2.426929935692216
Energy: 2.2268816972735377
Energy: 2.2664123109984353
Energy: 2.429653444001432
Energy: 2.4595115505221647
Energy: 2.3363653381488265
Energy: 2.7944888227677795
Energy: 2.277907439437294
Energy: 2.1942412967051195
Energy: 2.195949584372148
Energy: 2.1956218179947795
Energy: 2.2793079000488965
Energy: 2.4304183389715273
Energy: 2.2161807537375426
Energy: 2.187860640355831
Energy: 2.362486679672161
Energy: 2.218091725523027
Energy: 2.2882148572784935
Energy: 2.408785244978702
Energy: 2.2309788362260528
Energy: 2.1365299530217983
Energy: 2.2512109738417845
Energy: 2.1267486972623915
Energy: 2.3349572703221

minimum gb energy = 2.0317634425204685 eV
minimum distance =  2.38252393089507 Angstroms
sigma value = 33


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

Energy: 3.871500930847854
Energy: 2.145252571219415
Energy: 2.142908850491268
Energy: 2.1779690552923636
Energy: 2.143259041070158
Energy: 2.246687398861921
Energy: 2.5836620350188246
Energy: 2.334833180157509
Energy: 2.223675888002041
Energy: 2.2685670234714825
Energy: 2.17743446985814
Energy: 2.262194848812697
Energy: 2.432271554104309
Energy: 2.208323303407299
Energy: 2.211551835313404
Energy: 2.4092509603230563
Energy: 2.2056537720111526
Energy: 2.202700015914132
Energy: 2.3911943669140605
Energy: 2.1920238841026256
Energy: 2.1980537590248828
Energy: 2.2440069588014446
Energy: 2.2112622336536454
Energy: 2.293017741995704
Energy: 2.4900979859831445
Energy: 2.388325508738036
Energy: 2.376464456553925
Energy: 2.5591988281096345
Energy: 2.6014517218400517
Energy: 2.429965944998633
Energy: 2.358662981558648
Energy: 2.2487481403723177
Energy: 2.256932228867011
Energy: 2.311014409520829
Energy: 2.256766918401261
Energy: 2.2598575019281464
Energy: 2.278339903939361
Energy: 2.246867004181564
Energy: 2.254911510872963
Energy: 2.4370185410478893
Energy: 2.260000403181211
Energy: 2.258533204252821
Energy: 2.5369554859873586
Energy: 2.2544166895438864
Energy: 2.3779646670401773
Energy: 2.469726934999767
Energy: 2.257579254995058
Energy: 2.306559108342549
Energy: 2.399849663486103
Energy: 2.2098176797068776
Energy: 2.2647398642500147
Energy: 2.41084589033073
Energy: 2.2086953434770162
Energy: 2.339689558705611
Energy: 2.79233991364201
Energy: 2.204569345090753
Energy: 2.2507883819562964
Energy: 2.345901798625878
Energy: 2.199150534324219
Energy: 2.227868470326933
Energy: 2.432582246040649
Energy: 2.2449033111969507
Energy: 2.2025420225737826
Energy: 2.462995073094246
Energy: 2.220032661201342
Energy: 2.307211308154327
Energy: 2.191010307275821
Energy: 2.156111550877869
Energy: 2.1455301767538635
Energy: 2.699193751625198
Energy: 2.1568563434714063
Energy: 2.1610302143093016
Energy: 2.1891738698099585
Energy: 2.156744129485237
Energy: 2.1770080942627046
Energy: 2.416155575624444
Energy: 2.157078755605987
Energy: 2.1430834665142533
Energy: 2.386079575836498
Energy: 2.313042438567045
Energy: 2.257453657662335
Energy: 2.5610354874545487
Energy: 2.2480664414714373
Energy: 2.4062791466990583
Energy: 2.6324006905743453
Energy: 2.2365433922004128
Energy: 2.3023920622781078
Energy: 2.3164108088889135
Energy: 2.2379596150927026
Energy: 2.2361856278672754
Energy: 2.3712107792819896
Energy: 2.240704869804052
Energy: 2.3114096547113405
Energy: 2.3977045386715723
Energy: 2.243959466553474
Energy: 2.2386447312997864
Energy: 2.483885583497552
Energy: 2.6944325198456816
Energy: 2.5186291986155274
Energy: 2.5311451297121206
Energy: 2.3681231226028547
Energy: 2.4446284262061284
Energy: 2.194498316211567
Energy: 2.2449817950940587
Energy: 2.3086874008105607
Energy: 2.4844395191582693
Energy: 2.237316183090699
Energy: 2.241798071460473
Energy: 2.3209571330690846
Energy: 2.234966256467809
Energy: 2.2503384589425046
Energy: 2.3751522974703603
Energy: 2.2362751601701305
Energy: 2.2413377216793395
Energy: 2.3563502733339856
Energy: 2.3098283083795037
Energy: 2.2626412887631884
Energy: 2.6102605919751882
Energy: 2.3686226994900377
Energy: 2.330421640432666
Energy: 2.189334256661781
Energy: 2.1429499464348685
Energy: 2.1618691546940108
Energy: 2.227553773466883
Energy: 2.1457170527186222
Energy: 2.1775600000576003
Energy: 2.359417036969671
Energy: 2.1542017452360387
Energy: 2.306297166983826
Energy: 2.482169316092212
Energy: 2.1691482467765013
Energy: 2.1592893497893537
Energy: 2.559991786446356
Energy: 2.2047952195255474
Energy: 2.2030322624540837
Energy: 2.3725647544864357
Energy: 2.199044095652673
Energy: 2.3024030857365996
Energy: 3.6178788833584914
Energy: 2.197635906562422
Energy: 2.1985103200894214
Energy: 2.3479212820890565
Energy: 2.1930170515180456
Energy: 2.2482035050597937
Energy: 2.5597963001713846
Energy: 2.2108138701898743
Energy: 2.2642336740560625
Energy: 2.406617942871804
Energy: 2.295947466077427
Energy: 2.376333480041532
Energy: 2.429341813433367
Energy: 2.2556970370872067
Energy: 2.2490810742706917
Energy: 2.4161852092438614
Energy: 2.249211566776759
Energy: 2.5043843096480423
Energy: 2.974498449995309
Energy: 2.245348427540742
Energy: 2.2617407869428625
Energy: 2.2452287027539013
Energy: 2.2514509015597604
Energy: 2.244577198839812
Energy: 2.416396706589069
Energy: 2.257426968361023
Energy: 2.302843393926227
Energy: 2.492479491891528
Energy: 2.2416473346393238
Energy: 2.4693491603075386
Energy: 2.421804123194141
Energy: 2.2250195770190535
Energy: 2.346249859825718
Energy: 2.484924396625491
Energy: 2.218486560061519
Energy: 2.4181067858550302
Energy: 2.3956777393638804
Energy: 2.1974636911450522
Energy: 2.23205522040546
Energy: 3.2161911661536156
Energy: 2.2051335302213495
Energy: 2.3057876737470098
Energy: 2.5578112947672977
Energy: 2.2071623831331775
Energy: 2.3080265704429674
Energy: 2.5357230792118135
Energy: 2.2029550478822912
Energy: 2.197722494933998
Energy: 2.515392466139144
Energy: 2.150208277454603
Energy: 2.1498408466332104
Energy: 2.161817118825494
Energy: 2.1561412803858575
Energy: 2.2045072008816304
Energy: 2.3558294662418557
Energy: 2.148671320509398
Energy: 2.14309013475812
Energy: 2.1813404002783128
Energy: 2.1547926002650075
Energy: 2.1958426910731736
Energy: 2.5718016095244636
Energy: 2.2634129049867244
Energy: 2.3141746406615176
Energy: 2.3407162752230803
Energy: 2.300112119834289
Energy: 2.245076387378103
Energy: 2.535293101239321
Energy: 2.2484479157604977
Energy: 2.2359520513485154
Energy: 2.580391668938231
Energy: 2.2368433078284573
Energy: 2.5060807912158203
Energy: 2.7376686731328954
Energy: 2.2971344145615666
Energy: 2.2377986339526745
Energy: 2.3331475230586944
Energy: 2.2449965518148716
Energy: 2.293546560170357
Energy: 2.544119304904667
Energy: 2.495272167962733
Energy: 2.4734927633531867
Energy: 2.4775593030127565
Energy: 2.4944424277507866
Energy: 2.557845415055176
Energy: 2.749830969445349
Energy: 2.2673847388454225
Energy: 2.2405912298445796
Energy: 2.419394786380928
Energy: 2.2361864631237784
Energy: 2.4135703828855912
Energy: 2.4887555317512113
Energy: 2.248580338299851
Energy: 2.24310028442169
Energy: 2.498752141459369
Energy: 2.241059476257329
Energy: 2.250895123299471
Energy: 2.587270661631256
Energy: 2.2189643801832903
Energy: 2.310905954955388
Energy: 2.343100224776359
Energy: 2.310984351540016
Energy: 2.269192704835111
Energy: 2.3992312514162486
Energy: 2.1451800581152076
Energy: 2.145787895442337
Energy: 2.1785223691502322
Energy: 2.1453844017707113
Energy: 2.2350096542526243

minimum gb energy = 2.142908850491268 eV
minimum distance =  2.37804133890534 Angstroms
sigma value = 51


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

Energy: 3.5851131664325964
Energy: 2.210124015360351
Energy: 2.2125791515289404
Energy: 2.342237471125476
Energy: 2.2128907921565153
Energy: 2.3082574524103165
Energy: 2.6716668530644045
Energy: 2.3313595857139227
Energy: 2.291390307069128
Energy: 2.4248511401375192
Energy: 2.3255315259286666
Energy: 2.3362104662821364
Energy: 2.532707714894873
Energy: 2.2167375394201385
Energy: 2.3001357905311623
Energy: 2.5965260091410145
Energy: 2.2999209644883525
Energy: 2.214752288163723
Energy: 2.3808051589202175
Energy: 2.2083244966237148
Energy: 2.2107655746693697
Energy: 3.055860565810975
Energy: 2.209335330125096
Energy: 2.208901815302312
Energy: 2.4641926895681117
Energy: 2.3059435903456813
Energy: 2.4141742918541618
Energy: 2.506603758863168
Energy: 2.393354276815996
Energy: 2.426194463691591
Energy: 2.4751472855523966
Energy: 2.292942872293396
Energy: 2.296247500298568
Energy: 2.6090694923389446
Energy: 2.299243531599318
Energy: 2.3061177684029226
Energy: 2.47918751797023
Energy: 2.300000894360768
Energy: 2.4844459707527675
Energy: 2.5700516016515715
Energy: 2.2930100549947543
Energy: 2.3032125097770564
Energy: 2.637046743621513
Energy: 2.3258861257759054
Energy: 2.6282536556424008
Energy: 2.518216448435917
Energy: 2.592283549666502
Energy: 2.3268164878931126
Energy: 2.2632812749874502
Energy: 2.373621630590801
Energy: 2.3006868272705767
Energy: 2.452749273246596
Energy: 2.280604093446148
Energy: 2.2511673694743046
Energy: 2.2625960086066295
Energy: 2.208392929514546
Energy: 2.211905725486898
Energy: 2.3419872251589653
Energy: 2.2086423694055077
Energy: 2.252774889225061
Energy: 2.540037600054191
Energy: 2.299272362665706
Energy: 2.3259251927878215
Energy: 2.508179555646947
Energy: 2.41369551890661
Energy: 2.320946728252648
Energy: 2.3787552638598712
Energy: 2.2082166573246744
Energy: 2.2089306376056967
Energy: 2.8813320471394728
Energy: 2.207319314082628
Energy: 2.207505882467382
Energy: 2.382919967407539
Energy: 2.228647608952901
Energy: 2.3000084968961376
Energy: 2.49705882876123
Energy: 2.2087620327046897
Energy: 2.208213447425562
Energy: 2.5670002821018305
Energy: 2.565081601551944
Energy: 2.4133315362687346
Energy: 2.6141048601968397
Energy: 2.4131244943384473
Energy: 2.5725185172922433
Energy: 3.1492344540322845
Energy: 2.304110723580495
Energy: 2.3182763526457175
Energy: 2.601053999481158
Energy: 2.3088985803524062
Energy: 2.3040760958380733
Energy: 2.4780805635142253
Energy: 2.2934653539120395
Energy: 2.3143347891472232
Energy: 2.6057651074860693
Energy: 2.294473103446124
Energy: 2.293618833282285
Energy: 2.636749530421919
Energy: 2.3770718641533892
Energy: 2.6296303732782076
Energy: 2.504166050502405
Energy: 2.5460785816501796
Energy: 2.323825117489717
Energy: 2.3734291214326544
Energy: 2.2045437067884803
Energy: 2.202880548387986
Energy: 2.342366937193296
Energy: 2.2025514922935083
Energy: 2.2513454651624025

minimum gb energy = 2.2025514922935083 eV
minimum distance =  2.39817519424508 Angstroms
sigma value = 19


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

Energy: 3.3545545718049925
Energy: 2.3061169630672063
Energy: 2.304669265246396
Energy: 2.3517812037721493
Energy: 2.304788573351931
Energy: 2.3242622422495125
Energy: 2.544786515781495
Energy: 2.635423281798267
Energy: 2.444456989178699
Energy: 2.461159578295365
Energy: 2.3660014408267585
Energy: 2.4273980797768373
Energy: 2.6066646443021497
Energy: 2.385165577717527
Energy: 2.6350673186580496
Energy: 2.446563347241068
Energy: 2.386757866788228
Energy: 2.389097346351722
Energy: 2.6538422653814417
Energy: 2.400703634576194
Energy: 2.386186470191976
Energy: 2.740570569362344
Energy: 2.3833580315849208
Energy: 2.5112162759857597
Energy: 2.472857060629537
Energy: 2.4700185183883034
Energy: 2.551037700952975
Energy: 2.399261495300752
Energy: 2.796558702631785
Energy: 2.6495761338835386
Energy: 2.653042386353159
Energy: 2.457528134842241
Energy: 2.478440801341743
Energy: 2.4028164797781955
Energy: 2.4122006171191015
Energy: 2.5480925078765426
Energy: 2.629015604648514
Energy: 2.3981384827017824
Energy: 2.478226170217365
Energy: 2.696801250943872
Energy: 2.395245928154955
Energy: 2.500145287440323
Energy: 2.6726443975079603
Energy: 2.448835013813284
Energy: 2.693978627018047
Energy: 2.4126228269201357
Energy: 2.634375318398608
Energy: 2.4648883884856105
Energy: 2.3792112818090145
Energy: 2.3673032057121612
Energy: 2.3021946365047423
Energy: 2.3916582008902254
Energy: 2.336854548111177
Energy: 2.4600082148510114
Energy: 2.615948086687162
Energy: 2.302469903415241
Energy: 2.3020662286435836
Energy: 2.3719534260984956
Energy: 2.3031058520538568
Energy: 2.406368470968853
Energy: 2.642246942240097
Energy: 2.461070100006065
Energy: 2.3612199672679366
Energy: 2.446120480602975
Energy: 2.4981007944468154
Energy: 2.5168931245276913
Energy: 2.5803010415249603
Energy: 2.5602632968939543
Energy: 2.43728819329942
Energy: 2.6142323997179395
Energy: 2.4397573038956293
Energy: 2.6534359826142087
Energy: 2.7992430290966186
Energy: 2.4354082852693257
Energy: 2.4819891867014348
Energy: 2.5644914925501223
Energy: 2.4915120573755636
Energy: 2.5079951836294048
Energy: 2.571667068764101
Energy: 2.618031010057758
Energy: 2.4615098151806443
Energy: 2.601712446726408
Energy: 2.523504127201539
Energy: 2.627845764783439
Energy: 2.445831102605191
Energy: 2.3294850890300953
Energy: 2.6478851726996493
Energy: 2.4649655882502843
Energy: 2.3320967463560316
Energy: 2.4097787087419067
Energy: 2.349782006512263
Energy: 2.3045411603894426
Energy: 2.329348976752659
Energy: 2.7160512017279204
Energy: 2.305230301786614
Energy: 2.3044887527324396
Energy: 2.4123042669028694
Energy: 2.4783268006152257
Energy: 2.4658900000320654
Energy: 2.6432428759265068
Energy: 2.6373243466493714
Energy: 2.421070921681314
Energy: 2.6292913407824803
Energy: 2.386429075770227
Energy: 2.4412938231384538
Energy: 2.573873140551791
Energy: 2.401598176464474
Energy: 2.3865183445242777
Energy: 2.6171371481508774
Energy: 2.3867504782348536
Energy: 2.453700733357306
Energy: 2.62171827913016
Energy: 2.3868202739780178
Energy: 2.421155302205449
Energy: 2.382550647677024
Energy: 2.5487897654266223
Energy: 2.8000114866012695
Energy: 2.592963611893636
Energy: 2.6384100835339543
Energy: 2.5708813453422734
Energy: 2.4298475927689034
Energy: 2.4118046918801825
Energy: 2.4677484700568506
Energy: 2.6380285357844997
Energy: 2.4005487871132365
Energy: 2.4887571726926185
Energy: 2.4121063223365273
Energy: 2.386466521108723
Energy: 2.4363410495341333
Energy: 2.5649300385304126
Energy: 2.402689431278935
Energy: 2.408239689401664
Energy: 2.4257933279624297
Energy: 2.5453065659939416
Energy: 2.44797691327679
Energy: 2.593872993393286
Energy: 2.4042427554022914
Energy: 2.4816687033145812
Energy: 2.347802218162479
Energy: 2.3045350580671027
Energy: 2.406172837972048
Energy: 2.4444397939047287
Energy: 2.3023876648602464
Energy: 2.3029759921929975
Energy: 2.417854765759824
Energy: 2.303786746156246
Energy: 2.36724071900208
Energy: 2.492006012029252
Energy: 2.30401951759994
Energy: 2.3037739163378803
Energy: 2.45793803653845
Energy: 2.8491451602394906
Energy: 2.5304664860470676
Energy: 2.5700542004481144
Energy: 2.4612746596042547
Energy: 2.652168855048298
Energy: 3.1336639899016294
Energy: 2.4335371419157155
Energy: 2.449477397132567
Energy: 2.633165108415548
Energy: 2.449940207230032
Energy: 2.633896845702109
Energy: 2.631298941877262
Energy: 2.4994737016731476
Energy: 2.5024430798950923
Energy: 2.7630523976020167
Energy: 2.4957569481124504
Energy: 2.4357569436444195
Energy: 2.529210387981072
Energy: 2.4582808465078823
Energy: 2.55365671246774
Energy: 2.504165911812841
Energy: 2.468079366989107
Energy: 2.4599055669285557
Energy: 2.4197720265883613
Energy: 2.3036788121625746
Energy: 2.3007490084989253
Energy: 2.3700629928444616
Energy: 2.302931174605513
Energy: 2.393610968103136

minimum gb energy = 2.3007490084989253 eV
minimum distance =  2.38457258819021 Angstroms
sigma value = 27


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

Energy: 2.7359427480553435
Energy: 2.2881330505456274
Energy: 2.428670107121578
Energy: 2.414503034425624
Energy: 2.2886685654625323
Energy: 2.819928042551167
Energy: 2.2101071981710394
Energy: 2.5097147789706544
Energy: 2.3120613663671348
Energy: 2.2784860720282505
Energy: 2.3623075925637984
Energy: 2.4858731893652504
Energy: 2.1636986258403548
Energy: 2.2897116652083707
Energy: 2.3213942525107965
Energy: 2.1929907451045265
Energy: 2.321934574502095
Energy: 2.288602339043957
Energy: 2.4491039543931192
Energy: 2.2885340869422803
Energy: 2.2891260728762144
Energy: 2.4157587571280414
Energy: 2.2890257490140367
Energy: 2.2971284269028978
Energy: 2.3396736660993414
Energy: 2.4042255838198145
Energy: 2.3379753142415485
Energy: 2.2760859757877983
Energy: 2.357497759518164
Energy: 2.386107333532386
Energy: 2.5029532747925223
Energy: 2.2790770140371124
Energy: 2.5057044387643748
Energy: 2.4171324246018653
Energy: 2.309764239951197
Energy: 2.4165553597650753
Energy: 2.446010305177374
Energy: 2.277259870994926
Energy: 2.314374824439768
Energy: 2.7398418239744204
Energy: 2.287793325732544
Energy: 2.4173564124299274
Energy: 2.211738746063143
Energy: 2.3110069704250287
Energy: 2.491190136452442
Energy: 2.398701667921052
Energy: 2.4794492578688305
Energy: 2.4091051180276555
Energy: 2.215371205856231
Energy: 2.322060834196821
Energy: 2.288399219618051
Energy: 2.2101060012025693
Energy: 2.2889494378576427
Energy: 2.323595109923133
Energy: 2.3893378529539535
Energy: 2.28891708621277
Energy: 2.290358511379736
Energy: 2.4047231454927314
Energy: 2.288916055980783
Energy: 2.313148104954355
Energy: 2.261486286275976
Energy: 2.3380673298202157
Energy: 2.4887558205921767
Energy: 2.317921911327461
Energy: 2.4895496385685956
Energy: 2.3349467559047894
Energy: 2.287668439526073
Energy: 2.3097896105552533
Energy: 2.2803026748910975
Energy: 2.460592698011096
Energy: 2.361120087998106
Energy: 2.5211297065353175

minimum gb energy = 2.1636986258403548 eV
minimum distance =  2.35867078148531 Angstroms
sigma value = 9


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

Energy: 3.8583075772107485
Energy: 2.3390394768108496
Energy: 2.3688599285894765
Energy: 2.3432710599635054
Energy: 2.3351619981710816
Energy: 2.515819359915565
Energy: 2.389066957992754
Energy: 2.6448897828386873
Energy: 2.3899272734003234
Energy: 2.401937657942599
Energy: 2.3705294829038905
Energy: 2.666069831078497
Energy: 2.4845432671993577
Energy: 2.6095061640749577
Energy: 2.7072626396961432
Energy: 2.5548108008201726
Energy: 2.6273875374679174
Energy: 2.6955491938846556
Energy: 2.6929193712107713
Energy: 2.622059705034143
Energy: 2.682304008329366
Energy: 2.712783225372754
Energy: 2.5863577214927242
Energy: 2.749907289845391
Energy: 2.346672415081564
Energy: 2.6186715109375385
Energy: 2.5851300951753853
Energy: 2.4810087311811855
Energy: 2.593751513046524
Energy: 2.6881265940690415
Energy: 2.3568786766579204
Energy: 2.4109685188368384
Energy: 2.572836766851575
Energy: 2.5896172600209284
Energy: 2.5852449842066436
Energy: 2.382952783714131
Energy: 2.330892457619054
Energy: 2.337235324580773
Energy: 2.4452643092374617
Energy: 2.721837846152464
Energy: 2.341565126748792
Energy: 2.3521077980963874
Energy: 2.4224638968801417
Energy: 2.391722433865428
Energy: 2.612458011195107
Energy: 2.595615027560118
Energy: 2.5792482438277053
Energy: 2.3763045833088867
Energy: 2.523524351417931
Energy: 2.5779082691266946
Energy: 2.629132479804606
Energy: 2.4447032265938806
Energy: 2.642187051686757
Energy: 2.567145798741004
Energy: 2.6101092102004
Energy: 2.5662265872016063
Energy: 2.561154090265673
Energy: 2.764006785744765
Energy: 2.543634111646245
Energy: 2.6158994880545485
Energy: 2.447852485587183
Energy: 2.5657303072312714
Energy: 2.6618172473028356
Energy: 2.458463324405763
Energy: 2.5926010611623664
Energy: 2.5043125298543187
Energy: 2.4473415131804894
Energy: 2.5942250267375653
Energy: 2.4655544324131893
Energy: 2.4323930043670345
Energy: 2.44656276566725
Energy: 2.635861940635225
Energy: 3.582044173074722
Energy: 2.3992961188738127
Energy: 2.4678012279608033
Energy: 2.425301963636656
Energy: 2.398458510694409
Energy: 2.52676046234227
Energy: 2.4549803789476057
Energy: 2.594251769725387
Energy: 2.527174331683626
Energy: 2.480786676972618
Energy: 2.440904698470167
Energy: 2.6330696584015514
Energy: 2.5118291689642804
Energy: 2.632147024205887
Energy: 2.51079258568407
Energy: 2.476917997959758
Energy: 2.5388789116525188
Energy: 2.735391284718844
Energy: 2.3591252968511087
Energy: 2.485196070248663
Energy: 2.501105076613825
Energy: 2.430358879766452
Energy: 2.4412961060868885
Energy: 2.55499020950749
Energy: 2.502815740116869
Energy: 2.514716627301341
Energy: 2.4744168790500263
Energy: 2.42202379131621
Energy: 2.4361710123581966
Energy: 2.5218670526607996
Energy: 2.42266162860607
Energy: 2.5347844747719184
Energy: 2.526516586401064
Energy: 2.4298354433643206
Energy: 2.7469649012803172
Energy: 2.5205635031415725
Energy: 2.4468503855336965
Energy: 2.5320518017130467
Energy: 2.4736667926443436
Energy: 2.750325511127992
Energy: 2.4955678301748385
Energy: 2.6138881228482775
Energy: 2.608212637525152
Energy: 2.584454706245486
Energy: 2.571953454814708
Energy: 2.7051380391579842
Energy: 2.56486938406745
Energy: 2.584922750474822
Energy: 2.4364878197867568
Energy: 2.4974534145576657
Energy: 2.549885750663455
Energy: 2.4254438918106596
Energy: 2.5517338918360273
Energy: 2.42175859880512
Energy: 2.3403107675970207
Energy: 2.3633331011310683
Energy: 2.399920971617681
Energy: 2.625131268298707
Energy: 2.3648195982364295
Energy: 2.3467504253284597
Energy: 2.3555895797660473
Energy: 2.373231268767817
Energy: 2.5567141556142223
Energy: 2.521615405012458
Energy: 2.3656635422891856
Energy: 2.3806950715778545
Energy: 2.5162047307708275
Energy: 2.6043722106564133
Energy: 2.6524787745192078
Energy: 2.442557658460716
Energy: 2.5672241394815076
Energy: 2.5386178117963167
Energy: 2.9923683267409524
Energy: 2.5645675119022657
Energy: 2.6354839050648944
Energy: 2.590584589577853
Energy: 2.557532850877912
Energy: 2.5965388417564403
Energy: 2.466221761548722
Energy: 2.6408922544272357
Energy: 2.578410367317803
Energy: 2.6974014088784894
Energy: 2.574647376917997
Energy: 2.7046260369986532
Energy: 2.390848169599077
Energy: 2.6095821577580445
Energy: 2.5450013407646175
Energy: 2.407662741986357
Energy: 2.543575992567833
Energy: 2.6837393916241714
Energy: 2.4717816437043956
Energy: 2.373424594751664
Energy: 2.352305492214055
Energy: 2.3438906818961267
Energy: 2.357128058631456
Energy: 2.4833882597723034
Energy: 2.449528149476451
Energy: 2.3765615178000337
Energy: 2.374698822054816
Energy: 2.354649422338158
Energy: 2.3667439095046587
Energy: 2.6414678722065443
Energy: 2.3946170845364647
Energy: 2.652610825905545
Energy: 2.5311340142707457
Energy: 2.505556067498197
Energy: 2.6031389505095603
Energy: 2.6375113381640993
Energy: 2.664307770291004
Energy: 2.5851708152711144
Energy: 2.596854761143028
Energy: 2.6248639057997445
Energy: 2.5384571614424907
Energy: 2.7246736033831924
Energy: 3.234079302882457
Energy: 2.502812511353733
Energy: 2.5708189322269455
Energy: 2.4948887661595305
Energy: 2.4886712849633588
Energy: 2.706795908308973
Energy: 2.4203622154848223
Energy: 2.5325260098515545
Energy: 2.5484044529581538
Energy: 2.4131412756697435
Energy: 2.5958700693749956
Energy: 2.447949967940446
Energy: 2.3878349108173174
Energy: 2.396358254298686
Energy: 2.4519792825697797
Energy: 2.64558146287527
Energy: 2.4321090968862302
Energy: 2.4896738765488164
Energy: 2.466000747681647
Energy: 2.442425341832918
Energy: 2.4943556360080215
Energy: 2.4221123294914575
Energy: 2.526800061901867
Energy: 2.4756609246054206
Energy: 2.4537850205989638
Energy: 2.527856404636422
Energy: 2.6593353145333523
Energy: 2.41631007915879
Energy: 2.6417011178180836
Energy: 2.510277555247813
Energy: 2.462335711522776
Energy: 2.460199979636503
Energy: 2.5873709901318627
Energy: 2.5685992480258
Energy: 2.4928836091981283
Energy: 2.487069860386666
Energy: 2.3861082065518633
Energy: 2.4016844647756384
Energy: 2.5476000319756396
Energy: 2.7479869694555084
Energy: 2.4015854900136646
Energy: 2.478212196917449
Energy: 2.46867499236399
Energy: 2.5295334979598403
Energy: 2.577464691734539
Energy: 2.4581323421443178
Energy: 2.6570183127766174
Energy: 2.524780419481873
Energy: 2.79627922083706
Energy: 2.5215388261695164
Energy: 2.5686665647802314
Energy: 2.4972203992901876
Energy: 2.500343354562992
Energy: 2.563318789830245
Energy: 2.4845219849012232
Energy: 2.5677228272480797
Energy: 2.5546865864793435
Energy: 2.6275404101160493
Energy: 2.5583684776732127
Energy: 2.582166487096602
Energy: 2.642192919438423
Energy: 2.6057441762097215
Energy: 2.5673350041095238
Energy: 2.516057237106789
Energy: 2.5436258763531088
Energy: 2.678705496869243
Energy: 2.5012394316149305
Energy: 2.5717744237577276
Energy: 2.357953022961457
Energy: 2.357933722098333
Energy: 2.366610457104726
Energy: 2.664205441541705

minimum gb energy = 2.330892457619054 eV
minimum distance =  2.3168957482134 Angstroms
sigma value = 57


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

Energy: 3.5972048253378976
Energy: 2.41755110735575
Energy: 2.2658492301422606
Energy: 2.2666225624362646
Energy: 2.2669787738755596
Energy: 2.5727370941918637
Energy: 2.3062085610438396
Energy: 2.511172656032842
Energy: 2.4586323575091473
Energy: 2.2929069536462707
Energy: 2.3610064775665096
Energy: 2.5875933892003284
Energy: 2.3055048424854565
Energy: 2.487015921455186
Energy: 2.4521817967385764
Energy: 2.456416589480402
Energy: 2.5090673610189396
Energy: 2.427883800373546
Energy: 2.294115232151964
Energy: 2.472772419915804
Energy: 2.48507414208287
Energy: 2.4433404255782487
Energy: 2.5184334210355366
Energy: 2.3441667755831643
Energy: 2.2933585196030504
Energy: 2.4466532517687667
Energy: 2.4933968864929352
Energy: 2.4221697585456656
Energy: 2.504242330254901
Energy: 2.3981621454283997
Energy: 2.188903641149233
Energy: 2.3596167943691806
Energy: 2.4791601460469037
Energy: 2.4230017047004746
Energy: 2.3957014997328483
Energy: 2.3411764952999308
Energy: 2.233242779960047
Energy: 2.311239910109131
Energy: 2.3401152398947818
Energy: 2.922239211353628
Energy: 2.328277930382539
Energy: 2.2662709904646103
Energy: 2.2405618900802344
Energy: 2.3396656907165334
Energy: 2.4854333945958462
Energy: 2.4973919830493396
Energy: 2.3440267483413177
Energy: 2.2671894167913074
Energy: 2.2471367741675947
Energy: 2.336865962972121
Energy: 2.6288731166736325
Energy: 2.4483950292966017
Energy: 2.476063504177536
Energy: 2.268514761576886
Energy: 2.258838702202614
Energy: 2.2930317459902416
Energy: 2.465778528484644
Energy: 2.5771991424934555
Energy: 2.33984979491488
Energy: 2.265282728822304
Energy: 2.301809688831197
Energy: 2.3463310210843105
Energy: 2.5162317674552312
Energy: 2.692693837850271
Energy: 2.3865578660238005
Energy: 2.2911710232920273
Energy: 2.3032864608336516
Energy: 2.480686174339401
Energy: 2.6121937664922714
Energy: 2.448490920773299
Energy: 2.5051303299144734
Energy: 2.556366050986184
Energy: 2.262339501088636
Energy: 2.527652798332219
Energy: 2.468568052760832
Energy: 2.4296811582882643
Energy: 2.511646999683393
Energy: 2.519843764710499
Energy: 2.3035038155079084
Energy: 2.4823990090430925
Energy: 2.44807271821255
Energy: 2.2998506622736645
Energy: 2.5021930509405275
Energy: 2.4924632538393214
Energy: 2.3060883754527897
Energy: 2.5018281029919405
Energy: 2.3403709988765664
Energy: 2.2963737490167833
Energy: 2.4123122543352786
Energy: 2.492881554881901
Energy: 2.2753521563910515
Energy: 2.3852872348064587
Energy: 2.337831902721504
Energy: 2.2704388713081776
Energy: 2.3393163656353853
Energy: 2.457802942645001
Energy: 2.4054067924791385
Energy: 2.3477708947950604
Energy: 2.345731673603058
Energy: 2.253094721745891
Energy: 2.3510157812555508
Energy: 2.4611292546471257
Energy: 2.304142244007615
Energy: 2.511324131628658
Energy: 2.3319508057517284
Energy: 2.22532062674429
Energy: 2.3886992147311212
Energy: 2.533658928732137
Energy: 2.3761466721845
Energy: 2.4587572082350486
Energy: 2.303327283208705
Energy: 2.246507970729696
Energy: 2.3487221909042755
Energy: 2.5230576261699817

minimum gb energy = 2.188903641149233 eV
minimum distance =  2.3255085677078 Angstroms
sigma value = 11


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

Energy: 2.908342411717121
Energy: 2.2228214645372177
Energy: 2.1282661603431343
Energy: 2.1110561213812313
Energy: 2.127542039701292
Energy: 2.3998709999693166
Energy: 2.371027267176521
Energy: 2.330973277951381
Energy: 2.2288260665227524
Energy: 2.210888639246643
Energy: 2.1840808619258834
Energy: 2.372647891742786
Energy: 2.5370656934952374
Energy: 2.4443602182257913
Energy: 2.2658524811351297
Energy: 2.3073882655002973
Energy: 2.3640358065135363
Energy: 2.3886884129105335
Energy: 2.544720256082171
Energy: 2.3696767691435148
Energy: 2.2842141711435895
Energy: 2.3030689192170195
Energy: 2.358934007079428
Energy: 2.3871877352254747
Energy: 2.5444371006199744
Energy: 2.3416101369451505
Energy: 2.368233298876901
Energy: 2.326780295157814
Energy: 2.3268460145941607
Energy: 2.3613744297621606
Energy: 2.5322060987034405
Energy: 2.3822453859582784
Energy: 2.378520203116627
Energy: 2.385938523445453
Energy: 2.381691622478525
Energy: 2.4269625356737516
Energy: 2.3374441280109903
Energy: 2.286593441763402
Energy: 2.3333764116851694
Energy: 2.3721936229807556
Energy: 2.402625936275381
Energy: 2.289119635766135
Energy: 2.051125113600383
Energy: 2.380728177375142
Energy: 2.371088353216295
Energy: 2.4525666068571694
Energy: 2.367613209352131
Energy: 2.2497889046715307
Energy: 2.2545457014856862
Energy: 2.2360328126527276
Energy: 2.3535944268258557
Energy: 2.424594258546972
Energy: 2.3380046428443775
Energy: 2.15885965606406
Energy: 2.1244952457111186
Energy: 2.197937240314518
Energy: 2.17032801165384
Energy: 2.461687395779459
Energy: 2.1299842319807816
Energy: 2.1573443768032905
Energy: 2.004751966394833
Energy: 2.1536016239889246
Energy: 2.3052868073470965
Energy: 2.4471441490067583
Energy: 2.256025211347223
Energy: 2.112168251861324
Energy: 2.0878143835970504
Energy: 2.1738268207558717
Energy: 2.387096756217963
Energy: 2.4221270852960832
Energy: 2.31456978704709
Energy: 2.05761479040262
Energy: 2.006902150614054
Energy: 2.1118241489569063
Energy: 2.307003162759693
Energy: 2.468824114130938
Energy: 2.3001689885355465
Energy: 2.0321267477248233
Energy: 2.0916731333271414
Energy: 2.125770403819107
Energy: 2.3349076793627876
Energy: 2.4922672914747026
Energy: 2.1570997765647992
Energy: 2.1217714986829974
Energy: 2.2559202445482778
Energy: 2.2521181669582218
Energy: 2.3775293280833005
Energy: 2.417255274921129
Energy: 2.3531263526268966
Energy: 2.2199463533959927
Energy: 2.3345065882830736
Energy: 2.339674686312118
Energy: 2.3907979619498567
Energy: 2.4592801735659804
Energy: 2.375486341205523
Energy: 2.2739308081247582
Energy: 2.3305528418317243
Energy: 2.290510365602737
Energy: 2.4094022614321973
Energy: 2.3808459183504698
Energy: 2.380534169310317
Energy: 2.289845248295431
Energy: 2.2528847243652987
Energy: 2.379239958155888
Energy: 2.3699188414982753
Energy: 2.4099797878062375
Energy: 2.373574848454446
Energy: 2.342848541931974
Energy: 2.7371199766586547
Energy: 2.377940300166012
Energy: 2.4377140991046624
Energy: 2.443946159969199
Energy: 2.3720826148603966
Energy: 2.368845581932077
Energy: 2.3214106932800935
Energy: 2.375075761145351
Energy: 2.280926346577334
Energy: 2.2722264821614258
Energy: 2.3362349240920772
Energy: 2.3311251777220847
Energy: 2.5376719860244394
Energy: 2.3643058945151565
Energy: 2.2745889968805186
Energy: 2.0483931884143884
Energy: 2.352433645697505
Energy: 2.3903827757673257
Energy: 2.536410826030492
Energy: 2.3380954949389574
Energy: 2.1767599025739
Energy: 2.2387642985746323
Energy: 2.245746524895505
Energy: 2.431641503685758
Energy: 2.5226988928735694
Energy: 2.1967103544571702
Energy: 2.194853412275311
Energy: 2.157732932506073
Energy: 2.199797947147431
Energy: 2.3191719426494806
Energy: 2.5353518631923073
Energy: 2.2990368335633136
Energy: 2.1935060665442814
Energy: 2.034990216748515
Energy: 2.157487919380095
Energy: 2.335898213089895
Energy: 2.535547206900894
Energy: 2.3259581718312696
Energy: 2.1292700702315823
Energy: 2.095743378163722
Energy: 2.172614652144367
Energy: 2.3461485000327564
Energy: 2.5455223733442436
Energy: 2.184122006982449
Energy: 2.0932851783713398
Energy: 2.005148849479051
Energy: 2.1134761838728697
Energy: 2.349421175240154

minimum gb energy = 2.004751966394833 eV
minimum distance =  2.29423636889147 Angstroms
sigma value = 41


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

Energy: 3.2703244560695164
Energy: 2.0809664453131904
Energy: 1.9843258589114645
Energy: 1.9956904345691382
Energy: 1.9811291126025419
Energy: 2.3061335943133026
Energy: 2.5174289919412836
Energy: 2.181966962816381
Energy: 1.9871329671435982
Energy: 2.001778420971878
Energy: 1.9388007175887039
Energy: 2.2262413832116867
Energy: 2.6845108648137344
Energy: 2.209728277130513
Energy: 2.05732119841532
Energy: 2.098579526610948
Energy: 2.1521820327718455
Energy: 2.214872378554869
Energy: 2.788826396190753
Energy: 2.1482166900350963
Energy: 2.101837100598624
Energy: 2.082474312422266
Energy: 2.147703844665892
Energy: 2.2082594577194348
Energy: 2.7899021705481872
Energy: 2.133969169666068
Energy: 2.1703080690518313
Energy: 2.2318893876145416
Energy: 2.1816545314872644
Energy: 2.2126907499863315
Energy: 2.762288436287836
Energy: 2.2256112516450473
Energy: 2.183023337534214
Energy: 2.182908409920377
Energy: 2.1845857294082425
Energy: 2.2752079858144683
Energy: 2.5624100121029363
Energy: 2.2421024270471213
Energy: 2.206580411306865
Energy: 2.2070759743446393
Energy: 2.2316933768644214
Energy: 2.2165258453723165
Energy: 2.460611267655654
Energy: 2.197543630901256
Energy: 2.246989550242566
Energy: 2.3312109808137738
Energy: 2.254228195532509
Energy: 2.212224144934962
Energy: 2.5223370573627077
Energy: 2.18335235638007
Energy: 2.225892857236288
Energy: 2.2093720227609004
Energy: 2.2072082429386053
Energy: 2.191339131207766
Energy: 2.211931819363173
Energy: 2.2388288894879667
Energy: 2.1656976074355065
Energy: 2.237802896618606
Energy: 2.1634908688733074
Energy: 2.161725727131002
Energy: 2.093105880063746
Energy: 2.1128890136775347
Energy: 2.1804948977942575
Energy: 2.2520457875397573
Energy: 2.1439249635022013
Energy: 2.0787190565145393
Energy: 2.0991270764986556
Energy: 2.0284630489483053
Energy: 2.1575266968562397
Energy: 2.217672097939052
Energy: 2.161427648622878
Energy: 2.0383337515627606
Energy: 2.025015137807141
Energy: 1.9657911368826066
Energy: 2.110468722837852
Energy: 2.2484221344706268
Energy: 2.1134235831463486
Energy: 2.0210345941214793
Energy: 1.9753249092150016
Energy: 1.9686188248694152
Energy: 2.1346051570575146
Energy: 2.2336839379336766
Energy: 2.0008209435318056
Energy: 1.9767624228825786
Energy: 1.8273648571123828
Energy: 2.040898897735505
Energy: 2.115731652463816
Energy: 2.2062415205763375
Energy: 2.070161015437183
Energy: 1.867095474794459
Energy: 1.8201290668535575
Energy: 1.9444647912979725
Energy: 2.1471629092165405
Energy: 2.25962566487861
Energy: 2.120398529109801
Energy: 1.8227146035589619
Energy: 1.9298235467049842
Energy: 1.9692843363463752
Energy: 2.0472416871582197
Energy: 2.2635227669285185
Energy: 1.8882583194723863
Energy: 1.9785403270165558
Energy: 2.0286402648747646
Energy: 1.9705985264836168
Energy: 2.1389841698919727
Energy: 2.2490626439696353
Energy: 2.1346813392848882
Energy: 1.9964268983290636
Energy: 2.10731207240474
Energy: 2.0492436294657397
Energy: 2.1935273969379927
Energy: 2.194600724396313
Energy: 2.1807769220761593
Energy: 2.0493619238981524
Energy: 2.1751185138926648
Energy: 2.1579173960780986
Energy: 2.1959857554598545
Energy: 2.2394469508725976
Energy: 2.177748984285769
Energy: 2.082951644356851
Energy: 2.0400006572991716
Energy: 2.2197373684937
Energy: 2.1968107943564905
Energy: 2.2146216549381457
Energy: 2.1187440660605192
Energy: 2.15962718243143
Energy: 2.5295349760235726
Energy: 2.185069431691401
Energy: 2.226903084656383
Energy: 2.213183363491462
Energy: 2.187049660870125
Energy: 2.191989835024167
Energy: 2.5241309884326477
Energy: 2.1976309391141617
Energy: 2.228711706277364
Energy: 2.2020282864714593
Energy: 2.2629780802381836
Energy: 2.2063770204491235
Energy: 2.5306647029104927
Energy: 2.2246053402236674
Energy: 2.2177703498557575
Energy: 2.1569899365893366
Energy: 2.1984387094737556
Energy: 2.2255969953596693
Energy: 2.805666136395948
Energy: 2.2144016956398125
Energy: 2.1786953869763543
Energy: 2.1961443858411256
Energy: 2.1804448122112174
Energy: 2.22598449437182
Energy: 2.5033615949611816
Energy: 2.189834339011915
Energy: 2.242977311449941
Energy: 2.2353643395003826
Energy: 2.14615911980087
Energy: 2.203839678347539
Energy: 2.502812829826073
Energy: 2.1457969190347135
Energy: 2.0711406463078132
Energy: 2.0712139016209714
Energy: 2.081569436743569
Energy: 2.192077409919641
Energy: 2.7824689235205535
Energy: 2.1742093933570747
Energy: 2.0772911675810346
Energy: 2.0252930146519406
Energy: 2.1383551778214405
Energy: 2.19749792699529
Energy: 2.6859893998371716
Energy: 2.141576959530389
Energy: 1.9304019812200615
Energy: 1.9988557726769407
Energy: 2.0110743904633486
Energy: 2.12690989681763
Energy: 2.758293438407241
Energy: 2.113074061942283
Energy: 1.9776601216999037
Energy: 1.8948608280209254
Energy: 1.9844289664726928
Energy: 2.10790221421481
Energy: 2.531711883641549
Energy: 2.114055513357078
Energy: 1.9654127093082943
Energy: 1.846759669586077
Energy: 1.9628608661402789
Energy: 2.1228115288156126
Energy: 2.7744820140675626
Energy: 2.1472791096980206
Energy: 1.9556012146910464
Energy: 1.8215985455355135
Energy: 2.104165050614041
Energy: 2.1733315584863737
Energy: 2.7625992592772417
Energy: 1.96747857813568
Energy: 1.8981534901023402
Energy: 1.8494433737285052
Energy: 1.9147899365271182
Energy: 2.1338099771732595

minimum gb energy = 1.8201290668535575 eV
minimum distance =  2.29145792793662 Angstroms
sigma value = 33


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

Energy: 3.055939660583968
Energy: 1.9097716925985566
Energy: 1.8625044646459978
Energy: 1.780122231939657
Energy: 1.8621720331452927
Energy: 2.089630457207167
Energy: 3.049457422177551
Energy: 1.9103297857111983
Energy: 1.69711233906105
Energy: 1.6722117961691099
Energy: 1.6592686974394872
Energy: 1.876455456980462
Energy: 3.062352141786664
Energy: 1.900341499791722
Energy: 1.7909905815028708
Energy: 1.7720792107694905
Energy: 1.8672755723688808
Energy: 1.9200404065977406
Energy: 2.6243916238223104
Energy: 1.8368421324049653
Energy: 1.8259860841422793
Energy: 1.7756350382989043
Energy: 1.8235946537832488
Energy: 1.9273518075087233
Energy: 2.6210483007380136
Energy: 1.8504057510687268
Energy: 1.8431162669324395
Energy: 1.8803383343921731
Energy: 1.857149082459596
Energy: 1.9205401874369725
Energy: 3.04027541993181
Energy: 1.9119916375016057
Energy: 1.8834669440924856
Energy: 1.8591940689444715
Energy: 1.8867951137390264
Energy: 1.9273990017963658
Energy: 2.889847657384324
Energy: 1.9449179326132184
Energy: 1.9037065843952499
Energy: 1.9138625728713805
Energy: 1.9347576121468484
Energy: 1.9793183182049283
Energy: 2.2310279247247626
Energy: 1.903613919585246
Energy: 2.0313734265132197
Energy: 2.0333578537990107
Energy: 2.0604080450000417
Energy: 1.9121018188750116
Energy: 2.8885499020379566
Energy: 1.9289635616246232
Energy: 1.9183210532037742
Energy: 1.914924785809831
Energy: 1.9272487812173755
Energy: 1.9258860220516403
Energy: 2.6253853167328076
Energy: 2.025419268525985
Energy: 1.9180222341898392
Energy: 1.9518193078749133
Energy: 1.9204772689202692
Energy: 2.012371315624177
Energy: 2.2380045904180537
Energy: 1.929437976292439
Energy: 1.934252346522368
Energy: 1.9406042133915264
Energy: 1.9477124172211313
Energy: 1.9210887867030988
Energy: 2.2360266810616944
Energy: 1.9432472890870762
Energy: 1.9175672779208885
Energy: 1.9689224669841945
Energy: 1.9481548743201282
Energy: 1.9316425631258878
Energy: 2.4344183621893745
Energy: 1.9096442275203218
Energy: 1.9405495497075416
Energy: 1.928747713615276
Energy: 1.940939245073104
Energy: 1.9191825313658437
Energy: 2.0569110716439174
Energy: 1.8894854238458152
Energy: 1.904917550812834
Energy: 1.9348028457770003
Energy: 1.913382434489654
Energy: 1.8839947561933184
Energy: 2.0277291517038303
Energy: 1.8906547168509202
Energy: 1.9751779942698484
Energy: 1.9607900146045336
Energy: 1.9704273622254747
Energy: 1.8999531633591669
Energy: 2.0573557711877797
Energy: 1.8970909312130413
Energy: 1.9208201287644182
Energy: 1.9464781836920217
Energy: 1.9246965294183103
Energy: 1.8707153153479488
Energy: 2.075024732381832
Energy: 1.97875432736244
Energy: 1.903622753902097
Energy: 1.9385202607090433
Energy: 1.8237182240889185
Energy: 1.954800632067424
Energy: 1.7900075639567794
Energy: 1.827173811621688
Energy: 1.9077004632346095
Energy: 1.93435711231359
Energy: 1.8845566016502184
Energy: 1.723668693129713
Energy: 1.714507239722885
Energy: 1.7584759153716847
Energy: 1.866259167604106
Energy: 1.953664732984691
Energy: 1.9086556997266644
Energy: 1.7663598061818013
Energy: 1.719928203810069
Energy: 1.6436350835814388
Energy: 1.820600448164929
Energy: 1.946968233219723
Energy: 1.6503330140327854
Energy: 1.6869723481825283
Energy: 1.5386922971926145
Energy: 1.7041279563258076
Energy: 1.846523651377408
Energy: 1.9312703097549895
Energy: 1.6342631451073157
Energy: 1.676011088187114
Energy: 1.5381826070726214
Energy: 1.6743621780177267
Energy: 1.8625997187298828
Energy: 1.9270889510901152
Energy: 1.8429266771600383
Energy: 1.5432766082820386
Energy: 1.5352576431249623
Energy: 1.691461488346468
Energy: 1.8600686036885055
Energy: 1.949050782591257
Energy: 1.8475957402835634
Energy: 1.5265627963601014
Energy: 1.6677280639946208
Energy: 1.856786260852905
Energy: 1.8911547738199685
Energy: 1.9276733843913827
Energy: 1.7337690031044979
Energy: 1.6884121168567874
Energy: 1.6949283379187174
Energy: 1.6552274195004597
Energy: 1.8923387256562356
Energy: 1.9172863447244421
Energy: 1.8637794379930472
Energy: 1.7088928828370897
Energy: 1.717256873738065
Energy: 1.7948655030852718
Energy: 1.9139091847541116
Energy: 1.954475130228592
Energy: 1.9207150521362775
Energy: 1.7781894774288276
Energy: 1.7560673137157665
Energy: 1.835010993853394
Energy: 1.8301594888497523
Energy: 1.9600953833786996
Energy: 1.895156566401336
Energy: 1.714415783566214
Energy: 2.1413241131892597
Energy: 1.8635529982773946
Energy: 1.8901389751191278
Energy: 1.9319787693498218
Energy: 1.8645220104486204
Energy: 1.876050764374943
Energy: 2.0799139415809336
Energy: 1.884637761526743
Energy: 1.9331608208436455
Energy: 1.951021841867252
Energy: 1.9319822829117195
Energy: 1.875258283078533
Energy: 2.3233004942114572
Energy: 1.9976793298724769
Energy: 1.976289033635828
Energy: 1.953076368965987
Energy: 1.9769257218774317
Energy: 1.9052645743770047
Energy: 2.2100997573250245
Energy: 1.9343445012417753
Energy: 1.913268533442638
Energy: 1.921053250369029
Energy: 2.090085504678244
Energy: 2.0055928912526917
Energy: 2.4318236105956292
Energy: 1.9172287149207459
Energy: 1.9352329193596285
Energy: 1.9320258083887847
Energy: 1.9189906666355525
Energy: 1.9284954267884336
Energy: 2.4387087577800286
Energy: 1.9239186824171726
Energy: 1.9923190637844346
Energy: 2.0164972236208825
Energy: 1.9757665771824893
Energy: 1.935644302690225
Energy: 2.437788733927458
Energy: 1.9199747559691054
Energy: 1.9273084366225637
Energy: 1.9206314650171437
Energy: 1.9527590897795333
Energy: 1.941238801043405
Energy: 2.4277203262399736
Energy: 1.9538942413288964
Energy: 1.923078781006021
Energy: 1.9193346413702665
Energy: 1.9409873443243386
Energy: 2.0109913473262604
Energy: 2.9110073154184364
Energy: 1.943559766444888
Energy: 1.9254360257235459
Energy: 1.9097215498661362
Energy: 1.9100712265034299
Energy: 1.9347086159980795
Energy: 2.4298113163846162
Energy: 1.912335519772834
Energy: 2.026780182441537
Energy: 1.9730802155187117
Energy: 2.0463520982124637
Energy: 1.920188909902605
Energy: 2.935871519779247
Energy: 1.9729447305731505
Energy: 1.9859594463817842
Energy: 1.8661521349120647
Energy: 1.9268303607926658
Energy: 1.960399224293716
Energy: 3.0996184934617297
Energy: 1.9202474841903536
Energy: 1.8889393106050858
Energy: 1.8858294946253256
Energy: 1.905889091479229
Energy: 1.9189917887571395
Energy: 2.838471421718877
Energy: 1.855576230472463
Energy: 1.8739974036562608
Energy: 1.8833438016112467
Energy: 1.853095899803097
Energy: 1.9069002248635418
Energy: 2.8411131582940867
Energy: 1.8484048703521354
Energy: 1.7929533315201527
Energy: 1.782625719770129
Energy: 1.8090685071240702
Energy: 1.9217592835509394
Energy: 3.2810433290505414
Energy: 1.9145454071758503
Energy: 1.7592853583072032
Energy: 1.8165037619535458
Energy: 1.8199338550155495
Energy: 1.9487562352403824
Energy: 2.9744423183616457
Energy: 1.8219223010383443
Energy: 1.6612752372500914
Energy: 1.7283661840972653
Energy: 1.6574850896412718
Energy: 1.8451368937467456
Energy: 2.8299263276391695
Energy: 1.733196516582843
Energy: 1.7711094842409056
Energy: 1.770257343877942
Energy: 1.615530663011823
Energy: 1.9078484670669051
Energy: 2.8411308207517476
Energy: 1.847681735805979
Energy: 1.657768091170626
Energy: 1.5654128597615846
Energy: 1.7390135997351293
Energy: 1.8819279372416238
Energy: 2.8880125208920444
Energy: 1.8601608771725697
Energy: 1.538022209962713
Energy: 1.543739307891202
Energy: 1.8567664507424715
Energy: 1.9536346552619928
Energy: 3.0498322992233042
Energy: 1.6250854711232738
Energy: 1.6709534591077915
Energy: 1.5376843500651118
Energy: 1.6895166413396125
Energy: 1.8901781017929653

minimum gb energy = 1.5265627963601014 eV
minimum distance =  2.45398764034854 Angstroms
sigma value = 67


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

Energy: 0.39576437758030275
Energy: 0.8317116731397549
Energy: 0.8313473510698294
Energy: 0.8310350518405395
Energy: 0.8309220934291902
Energy: 0.39622577410399107
Energy: 2.4071568606698635
Energy: 0.6262597982220214
Energy: 0.6266977713313991
Energy: 0.6262090910028251
Energy: 0.625970769823024
Energy: 0.6267776025886893
Energy: 2.5990311332360045
Energy: 0.6260767118669279
Energy: 0.7076963478761459
Energy: 0.7083200593518442
Energy: 0.7061910339270844
Energy: 0.626973971126154
Energy: 0.3961723222888066
Energy: 0.7077761231519097
Energy: 0.7076529006300681
Energy: 0.7080766645224864
Energy: 0.7068996208082573
Energy: 0.3963526063712226
Energy: 0.39630300848694544
Energy: 0.6650135552546648
Energy: 0.7079079318491248
Energy: 0.7078941756693765
Energy: 0.7079339197468998
Energy: 0.3960544815006707
Energy: 2.4046761763486266
Energy: 0.7082161319599221
Energy: 0.7076892788980562
Energy: 0.7072513474609611
Energy: 0.7071364287183403
Energy: 0.6259351797463042
Energy: 0.5982034976465148
Energy: 0.8147730000447827
Energy: 0.6265145515394223
Energy: 0.6659106473304637
Energy: 0.6261751363546295
Energy: 0.8150587790389031

minimum gb energy = 0.39576437758030275 eV
minimum distance =  2.61039178091648 Angstroms
sigma value = 3


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

Energy: 3.296166953894282
Energy: 1.9191267868825839
Energy: 1.654663927414524
Energy: 1.6592748604535246
Energy: 1.6547078277065315
Energy: 1.9081982341436647
Energy: 3.084399010984591
Energy: 1.469773015391376
Energy: 1.471871208797846
Energy: 1.4726761071834649
Energy: 1.4699127572487662
Energy: 1.7655856504716207
Energy: 3.2226302589257587
Energy: 1.5572978658087944
Energy: 1.4688398363103583
Energy: 1.4745627894433613
Energy: 1.4704543191339527
Energy: 1.7777015702026764
Energy: 3.075085900307367
Energy: 1.546288307783132
Energy: 1.4711842155409571
Energy: 1.4720275012869843
Energy: 1.4691184874811576
Energy: 1.7159162631601357
Energy: 3.0746281375300133
Energy: 1.6510616128392746
Energy: 1.6112561700802557
Energy: 1.6211665663875934
Energy: 1.6089854182817136
Energy: 1.6464584306072116
Energy: 3.2264441442239926
Energy: 1.5984910474635379
Energy: 1.641958997535266
Energy: 1.6655458549372717
Energy: 1.6423758521827712
Energy: 1.8156245211737714
Energy: 2.999205438626359
Energy: 1.6245777193127326
Energy: 1.6065810387266455
Energy: 1.5950635544646412
Energy: 1.5991797907042047
Energy: 1.813506575970594
Energy: 2.735690960466868
Energy: 1.7818553857086095
Energy: 1.7644150937996734
Energy: 1.664562700989955
Energy: 1.7556416418439416
Energy: 1.7869976820857776
Energy: 3.002181437203127
Energy: 1.801967275236875
Energy: 1.8112404457053586
Energy: 1.8124161736497428
Energy: 1.8037483070658655
Energy: 1.810154839174852
Energy: 3.0240987758083286
Energy: 1.8028517492284668
Energy: 1.7834285602514433
Energy: 1.9033192514798167
Energy: 1.7953972253124972
Energy: 1.8382790860133447
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Energy: 1.7896332315608334
Energy: 1.8619794787152584
Energy: 1.954076481123451
Energy: 1.814997091200938
Energy: 1.7926654371417847
Energy: 2.700137229430195
Energy: 1.7992575396674146
Energy: 1.796247517321545
Energy: 1.9783183757710885
Energy: 1.800165323116173
Energy: 1.7998258779137626
Energy: 2.6268729823724235
Energy: 1.8158740021161763
Energy: 1.8009713733600727
Energy: 1.805961495326915
Energy: 1.7985800797663198
Energy: 1.828931185686482
Energy: 2.646001666005631
Energy: 1.8202123159001387
Energy: 1.8884106275863792
Energy: 1.971909991584125
Energy: 1.8281857211893235
Energy: 1.8083674757809276
Energy: 2.361669758675266
Energy: 1.7960044812407407
Energy: 1.9639253598780333
Energy: 1.8345103255049806
Energy: 1.9688781759359124
Energy: 1.7993544366300707
Energy: 2.2725450191241037
Energy: 1.9753444539151854
Energy: 1.7899091047566766
Energy: 1.7872556791562861
Energy: 1.9302203804811235
Energy: 1.8128714115454914
Energy: 2.2647631716334606
Energy: 1.8686028173267843
Energy: 1.8383188590375317
Energy: 1.8164172266629577
Energy: 1.8442244125880285
Energy: 1.878052800664761
Energy: 2.289603505493377
Energy: 1.8040313550057112
Energy: 1.8334559242412432
Energy: 1.9077078822869857
Energy: 1.7879944620900219
Energy: 1.8011754885130087
Energy: 2.2666942084924067
Energy: 1.8411780253467724
Energy: 1.7935595676180733
Energy: 1.788327126747888
Energy: 1.7934255744299157
Energy: 1.8036447712856876
Energy: 1.973602023705158
Energy: 1.7473209993093366
Energy: 1.7491970286014011
Energy: 1.7886178120423881
Energy: 1.7489570041815585
Energy: 1.800050343919499
Energy: 1.935664281649923
Energy: 1.750452529809551
Energy: 1.8741991960047304
Energy: 1.8419953508442868
Energy: 1.7551046171695943
Energy: 1.7476493922812626
Energy: 2.0761792179945204
Energy: 1.7448062089892717
Energy: 1.8367135824521021
Energy: 1.925813832178017
Energy: 1.7577438139624482
Energy: 1.7566251375847055
Energy: 1.8529713945243678
Energy: 1.9861454889506824
Energy: 1.997949718865579
Energy: 1.8968881119209795
Energy: 1.9689274216199228
Energy: 1.8237001868219556
Energy: 1.7085471236209082
Energy: 1.6793888842647886
Energy: 1.7872349878273894
Energy: 1.8486728902281895
Energy: 1.6825469715322499
Energy: 1.704951698290526
Energy: 1.7703634271359143
Energy: 1.6983600660688671
Energy: 1.7475802012019555
Energy: 1.9126089968561477
Energy: 1.7067904171331074
Energy: 1.7304866389945022
Energy: 1.7102269427341272
Energy: 1.697857824208368
Energy: 1.485873273067245
Energy: 1.7913017381436922
Energy: 1.6987504719950233
Energy: 1.6807644710523455
Energy: 1.5692708622634597
Energy: 1.559270874364514
Energy: 1.5524595513191541
Energy: 1.817779252987327
Energy: 1.5656438571017368
Energy: 1.5513247773407117
Energy: 1.5579855472421371
Energy: 1.5272810014690528
Energy: 1.7443195862748124
Energy: 1.8435649719229272
Energy: 1.5531322054077223
Energy: 1.5398832659807604
Energy: 1.5675449993420911
Energy: 1.5544177061841218
Energy: 1.7558642632030705
Energy: 1.8200354773007033
Energy: 1.5535467058908634
Energy: 1.5607668715873473
Energy: 1.8315016278222236
Energy: 1.8668089468056317
Energy: 1.6417213770332788
Energy: 1.7874215849871677
Energy: 1.5574884075964655
Energy: 1.8686681246538976
Energy: 1.6871887265853722
Energy: 1.5759121932831346
Energy: 1.76507343307056
Energy: 1.8694962542877438
Energy: 1.5827011518898364
Energy: 1.580269743202442
Energy: 1.619538421920046
Energy: 1.5541984429358995
Energy: 1.7979552100289373
Energy: 1.8436823940813227
Energy: 1.5525361505450237
Energy: 1.5447204845669187
Energy: 1.6753107496587127
Energy: 1.6108945994281059
Energy: 1.60434897805034
Energy: 1.7847904643480013
Energy: 1.6049462145093825
Energy: 1.614168933693333
Energy: 1.945146609036211
Energy: 1.7923988750262863
Energy: 1.7869559282915646
Energy: 1.8355853246804574
Energy: 1.7780004898120791
Energy: 1.7972425183300529
Energy: 1.9488190628064983
Energy: 1.7806079290832517
Energy: 1.8542434384152895
Energy: 1.918201200986145
Energy: 1.7733364258806614
Energy: 1.7891599419919226
Energy: 1.9068878515951657
Energy: 1.8219337341944897
Energy: 1.8037604876369189
Energy: 1.8103206217072385
Energy: 1.8080966721941296
Energy: 1.8225818045568016
Energy: 2.0406429151686174
Energy: 1.9945561765315585
Energy: 1.7925355400270901
Energy: 1.7843446157851006
Energy: 1.7916442994102637
Energy: 2.0205899530700258
Energy: 2.3725957714622434
Energy: 1.831555643894789
Energy: 1.897110949984074
Energy: 1.8322904734020564
Energy: 1.8847866096276653
Energy: 1.8474276407828663
Energy: 2.3107324095540265
Energy: 1.834662544564901
Energy: 1.9038843010269295
Energy: 1.8096191825122072
Energy: 1.9006015585261684
Energy: 1.8482175896993482
Energy: 2.263877329339038
Energy: 1.8041917455925605
Energy: 1.7891710432333663
Energy: 1.789754292991036
Energy: 1.7904758275173502
Energy: 1.8420974324899104
Energy: 2.5127749392612775
Energy: 1.7956109846794301
Energy: 1.795882517904497
Energy: 1.8216092910196562
Energy: 1.7920748159480613
Energy: 1.7951583914638696
Energy: 2.5493638435064985
Energy: 1.7888013535768483
Energy: 1.8858141692140615
Energy: 1.8321351425446941
Energy: 1.8106954197154865
Energy: 1.7891361230268066
Energy: 2.625932895968722
Energy: 1.9054518782159022
Energy: 1.8154762067157082
Energy: 1.8810605015529862
Energy: 1.8422030588725025
Energy: 1.9024112268394713
Energy: 2.6434328264020777
Energy: 1.8061860670039993
Energy: 1.8197233171424043
Energy: 1.7933839386935653
Energy: 1.8057924404265862
Energy: 1.9123138705787177
Energy: 2.8389753242788482
Energy: 1.7987620729593772
Energy: 2.0041256846051767
Energy: 1.9791673899128925
Energy: 1.9922750302449785
Energy: 1.788269049444309
Energy: 2.8928305146041247
Energy: 1.7758333327281237
Energy: 1.8019126551040319
Energy: 1.8928213933847229
Energy: 1.7879425089215844
Energy: 1.8202971926750775
Energy: 3.023698376703838
Energy: 1.8024052684597667
Energy: 1.796050351505859
Energy: 1.809831337260343
Energy: 1.8032358270256055
Energy: 1.81813487202098
Energy: 2.9087566967241214
Energy: 1.7271563868285922
Energy: 1.787188173967364
Energy: 1.9088468318850427
Energy: 1.7839339268193894
Energy: 1.7871671768037611
Energy: 2.896827091260214
Energy: 1.7324432829315493
Energy: 1.6791321961891887
Energy: 1.6486479982196134
Energy: 1.6632969211619566
Energy: 1.7407785055874054
Energy: 3.223488186418052
Energy: 1.6974833796033035
Energy: 1.6096860285723553
Energy: 1.589958505091533
Energy: 1.6090355582225815
Energy: 1.8258731803017345
Energy: 3.1886166524313353
Energy: 1.6302175334883278
Energy: 1.6281958105003547
Energy: 1.6571581747142379
Energy: 1.633405101059455
Energy: 1.7638968423507178

minimum gb energy = 1.4688398363103583 eV
minimum distance =  2.32950305752913 Angstroms
sigma value = 81


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

Energy: 3.40880629314942
Energy: 2.1070886938847204
Energy: 1.8306536954918768
Energy: 1.8322146523193494
Energy: 1.8326944566721721
Energy: 2.046165537413128
Energy: 3.0374441609877243
Energy: 1.642370112665816
Energy: 1.6396908126697305
Energy: 1.6398711845921057
Energy: 1.6428030307944843
Energy: 2.0105171319213913
Energy: 3.029885855869376
Energy: 1.8161862395368062
Energy: 1.644842179989661
Energy: 1.6446394252435628
Energy: 1.6486547309621076
Energy: 2.0104717626174216
Energy: 2.777295927190122
Energy: 1.8360871332798474
Energy: 1.6458944841106353
Energy: 1.6478096995354568
Energy: 1.6426665489333374
Energy: 2.014341501411336
Energy: 2.7798491464669293
Energy: 1.8701674351375297
Energy: 1.8410310713273232
Energy: 1.824059422734066
Energy: 1.8317193614591487
Energy: 1.8945130567901618
Energy: 3.027585110229015
Energy: 1.834809599408322
Energy: 1.8629334585097472
Energy: 1.8928855393637525
Energy: 1.816445646329651
Energy: 2.007039790911157
Energy: 2.7850687004161485
Energy: 1.853134506876743
Energy: 1.8247077914787544
Energy: 1.8269824439745743
Energy: 1.8254418897625873
Energy: 2.0398098525509867
Energy: 2.8038904424287177
Energy: 2.029831544236185
Energy: 1.9595099045921114
Energy: 1.906975285596354
Energy: 1.9596292070297914
Energy: 2.0445610251820128
Energy: 2.8086019038549073
Energy: 2.113734097812144
Energy: 2.050869995062741
Energy: 2.1100560003926434
Energy: 2.039172467814113
Energy: 2.0567388279214573
Energy: 2.771122128470305
Energy: 2.105603995421869
Energy: 2.009337576814099
Energy: 2.0610751198183337
Energy: 2.0318771979632717
Energy: 2.0807510006866745
Energy: 2.3224426040631196
Energy: 2.0125447545941837
Energy: 2.0424115545834702
Energy: 2.086313791168101
Energy: 2.07589741058816
Energy: 2.015783036787535
Energy: 2.5383046654828902
Energy: 2.0454188606667794
Energy: 2.050076698944414
Energy: 2.00865788589562
Energy: 2.0616703897095254
Energy: 2.019719210190254
Energy: 2.2867169449152773
Energy: 2.037551006615254
Energy: 2.0141581406529547
Energy: 2.013049372702395
Energy: 2.015264632142145
Energy: 2.097384883432256
Energy: 2.2921416756504884
Energy: 2.029641171888643
Energy: 2.1221971068256966
Energy: 2.0693359872282198
Energy: 2.096305743104439
Energy: 2.0359864941506163
Energy: 2.290091736224476
Energy: 2.084310909868016
Energy: 2.0954751571588277
Energy: 2.137722359088495
Energy: 2.1116148785146494
Energy: 2.1045851955999275
Energy: 1.9392161583647196
Energy: 1.9602459348699681
Energy: 2.008518954558042
Energy: 2.005925539375472
Energy: 2.0291974450709724
Energy: 1.8819852351753683
Energy: 1.8514796385596968
Energy: 1.8337876541105473
Energy: 2.0513838657591728
Energy: 2.1208348869059184
Energy: 1.863654608846979
Energy: 1.8478548964596373
Energy: 1.8764118135314245
Energy: 1.8584229814594806
Energy: 2.011766659937009
Energy: 2.092396935703201
Energy: 1.811422124531055
Energy: 1.8953153724496736
Energy: 1.850492515339475
Energy: 1.828611498481488
Energy: 1.8613996051847244
Energy: 2.093607696593415
Energy: 1.8147752690083456
Energy: 1.8285228508218083
Energy: 1.650120265505958
Energy: 1.6454038770919692
Energy: 1.6713272868440652
Energy: 2.011487770153261
Energy: 1.6424803679727678
Energy: 1.642384206542951
Energy: 1.6430606677943533
Energy: 1.6468067795038837
Energy: 2.011278062944326
Energy: 2.0940850051016673
Energy: 1.8161812185059376
Energy: 1.6418080408724527
Energy: 1.6439624667248702
Energy: 1.6439883637397734
Energy: 1.8656321414288253
Energy: 2.074346529858984
Energy: 1.642650703778883
Energy: 1.6425317664124106
Energy: 1.8413151072462217
Energy: 1.8294277505833738
Energy: 2.152878656090545
Energy: 2.0701555783732615
Energy: 2.1113300632276326
Energy: 1.8294722670261732
Energy: 1.8780442377231124
Energy: 1.8520988351535208
Energy: 1.8659966562799595
Energy: 2.0448790459110544
Energy: 1.8668628051132747
Energy: 1.88275088336094
Energy: 1.834383164741051
Energy: 1.8154878585197176
Energy: 2.010073934507371
Energy: 2.16437457654019
Energy: 1.8152736327794126
Energy: 1.814777419557489
Energy: 1.8794932485291034
Energy: 1.8734728136675785
Energy: 1.88395044199014
Energy: 2.0151251395653014
Energy: 1.873498946536376
Energy: 1.9079979847996655
Energy: 2.3060483046533253
Energy: 2.050395335626168
Energy: 2.025313525247748
Energy: 2.0167285056522437
Energy: 2.012528658147549
Energy: 2.0231956383296663
Energy: 2.069942745341161
Energy: 2.0226328478599203
Energy: 2.0039263873677986
Energy: 2.1261313034371594
Energy: 2.02243846359023
Energy: 2.0660020438175692
Energy: 2.308861659662983
Energy: 2.06483792927152
Energy: 2.0161821295111313
Energy: 2.0961097814318674
Energy: 2.0542061014278725
Energy: 2.1046285702939893
Energy: 2.360982242553527
Energy: 2.1261637990251905
Energy: 2.0183834436338994
Energy: 2.0760922952998233
Energy: 2.020684633158227
Energy: 2.1496973455612953
Energy: 2.5412905987271768
Energy: 2.016032888213883
Energy: 2.183776336496129
Energy: 2.1486620719886447
Energy: 2.183667872083514
Energy: 2.01321448651615
Energy: 2.5405268745344767
Energy: 2.038586537742569
Energy: 2.073600074424584
Energy: 2.066521607361334
Energy: 2.0734146473664103
Energy: 2.0161597728690355
Energy: 2.7878066780983546
Energy: 2.009583130132426
Energy: 2.024444478813684
Energy: 2.0485107614313343
Energy: 2.029348190547552
Energy: 2.1349975158139967
Energy: 2.517822872964928
Energy: 2.0548971969588252
Energy: 2.021953307408524
Energy: 2.0567486608968775
Energy: 2.053580934107112
Energy: 2.021417875735666
Energy: 2.561586766319782
Energy: 2.0216099515469486
Energy: 1.8746107454087764
Energy: 1.9056568764253605
Energy: 1.8989180309234164
Energy: 2.0112567053086368
Energy: 3.0322984518039444
Energy: 2.0941096057704986
Energy: 1.8167863475153636
Energy: 1.8218670843185591
Energy: 1.8162529507813538
Energy: 2.0096284896587737
Energy: 3.030127172770566
Energy: 2.0076073493095814
Energy: 1.853013512983276
Energy: 1.8973334289693828
Energy: 1.8527276729167133
Energy: 2.0505760594719247
Energy: 3.063211966886722
Energy: 1.8205219463550164
Energy: 1.833890744344123
Energy: 1.8321394927582544
Energy: 1.684300906618113
Energy: 2.0069059235764137

minimum gb energy = 1.6396908126697305 eV
minimum distance =  2.46870163233442 Angstroms
sigma value = 43


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

Energy: 3.1866652259387056
Energy: 2.2382744714291185
Energy: 1.9598214533519804
Energy: 1.9579070565425403
Energy: 1.9592523481811028
Energy: 2.226237949520448
Energy: 2.938335021529447
Energy: 2.0150333047271283
Energy: 1.7617173645107884
Energy: 1.765227676929226
Energy: 1.7621666469190307
Energy: 2.2388549359344587
Energy: 2.9398348591325765
Energy: 1.998532862842212
Energy: 1.7563391726173756
Energy: 1.768107304705703
Energy: 1.7775988798787064
Energy: 2.25538993205283
Energy: 2.919383993060105
Energy: 1.9827827865866752
Energy: 1.7631953034212804
Energy: 1.7700219433055435
Energy: 1.7639745309079686
Energy: 2.2185400841927
Energy: 2.894652358135753
Energy: 1.9923029823432223
Energy: 1.7695846388679441
Energy: 2.0007131932393567
Energy: 1.9844430311127061
Energy: 2.0288242571065274
Energy: 2.6052855767321814
Energy: 1.988667826615839
Energy: 1.9957329709322194
Energy: 2.06497078217758
Energy: 2.0169518591119098
Energy: 2.19149704651479
Energy: 2.913278919941269
Energy: 2.2052196658923946
Energy: 1.9901916496829526
Energy: 1.9972995269137332
Energy: 1.990104860250749
Energy: 2.234056115037655
Energy: 2.593500076809804
Energy: 2.1876073918731938
Energy: 2.0958118574580396
Energy: 2.0821125096561337
Energy: 2.1118909329873397
Energy: 2.189415602845033
Energy: 2.3473880881850087
Energy: 2.2520864743854556
Energy: 2.219061250568626
Energy: 2.3113727426488238
Energy: 2.223454229689327
Energy: 2.2610609539208073
Energy: 2.5992396014691987
Energy: 2.2155372788389283
Energy: 2.1898858986515495
Energy: 2.2691484901600756
Energy: 2.2032378275718676
Energy: 2.251806859331989
Energy: 2.612885118327958
Energy: 2.1939728657647826
Energy: 2.259794658593528
Energy: 2.3209845378383553
Energy: 2.28510197326187
Energy: 2.193579863147112
Energy: 2.593810063555049
Energy: 2.226177072218773
Energy: 2.218106677446522
Energy: 2.2605832464307194
Energy: 2.248056297136203
Energy: 2.2697905288325004
Energy: 2.084112651318726
Energy: 2.0158876264462773
Energy: 2.222577407912597
Energy: 2.1929875269996737
Energy: 2.234920606999397
Energy: 2.036475051493488
Energy: 2.0371465845609724
Energy: 1.9784546762624058
Energy: 2.273883043597765
Energy: 2.2255763308661414
Energy: 2.02540904426012
Energy: 1.9743656391624655
Energy: 2.123148386922429
Energy: 2.0248789376775957
Energy: 2.223029993488303
Energy: 2.226350693671905
Energy: 2.0250684231068816
Energy: 2.081908451396867
Energy: 1.973803850431805
Energy: 1.799292476596645
Energy: 2.1834510360904775
Energy: 2.174567457619815
Energy: 1.9819218635600917
Energy: 1.9576519350917903
Energy: 1.750230099562634
Energy: 1.7472554123606328
Energy: 2.209489718988767
Energy: 2.269191466447643
Energy: 1.764516366745803
Energy: 1.7671591172895234
Energy: 1.7626544539111397
Energy: 1.7591154027875378
Energy: 1.9987041351380934
Energy: 2.2227500976023675
Energy: 1.7552843601091934
Energy: 1.7724981637609043
Energy: 1.7511135960590731
Energy: 1.7645616984963355
Energy: 1.9750427209144257
Energy: 2.192641099412234
Energy: 1.9809335917157107
Energy: 1.7633740303806715
Energy: 2.0122419262612663
Energy: 1.9841960922296504
Energy: 1.976173414337892
Energy: 2.206512678323961
Energy: 1.9821492308880835
Energy: 1.9880943473159975
Energy: 2.0560057981091506
Energy: 2.016053831595472
Energy: 2.0001188655987865
Energy: 2.291446071801737
Energy: 1.9869341290256914
Energy: 2.004789974292696
Energy: 2.018623949173339
Energy: 1.9905744307497582
Energy: 2.242105457240766
Energy: 2.2502086214402297
Energy: 1.9904357721475308
Energy: 2.005388903126124
Energy: 2.0657618963748603
Energy: 2.0957685932686685
Energy: 2.1900619581373237
Energy: 2.234430049750802
Energy: 2.3307955273549332
Energy: 2.04782848941933
Energy: 2.291858990447554
Energy: 2.245758950640634
Energy: 2.251647494745232
Energy: 2.3300010655664773
Energy: 2.2282413700174413
Energy: 2.189940215634282
Energy: 2.6033866960151877
Energy: 2.1884238559608016
Energy: 2.2507622378945227
Energy: 2.290141511783605
Energy: 2.246928230945151
Energy: 2.1813670157204887
Energy: 2.6218812646865355
Energy: 2.255916416824692
Energy: 2.2088143342007895
Energy: 2.2706047712047472
Energy: 2.247266449961917
Energy: 2.2509254568674466
Energy: 2.6357909793416896
Energy: 2.218409844121871
Energy: 2.2148520717321962
Energy: 2.3273035181073944
Energy: 2.2069650747336533
Energy: 2.252233108467389
Energy: 2.9142075041348843
Energy: 2.195291638599361
Energy: 2.0166838830096054
Energy: 2.0496360861242007
Energy: 2.070511816472298
Energy: 2.1973985601160053
Energy: 2.9123898761230755
Energy: 2.0336562572395787
Energy: 1.9683540071817283
Energy: 2.003049080526893
Energy: 2.028724325359201
Energy: 2.2081085448274975
Energy: 2.9136978523342143
Energy: 1.9985500073694928
Energy: 2.02533132751523
Energy: 2.0668934970176718
Energy: 2.0221197938741917
Energy: 2.2236917111900754
Energy: 2.903668392426985
Energy: 1.9813071203793569
Energy: 1.7965137705871743
Energy: 1.957608301917149
Energy: 2.031844311967425
Energy: 2.179390391060351

minimum gb energy = 1.7472554123606328 eV
minimum distance =  2.39079939421616 Angstroms
sigma value = 57


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

Energy: 3.0659705920448688
Energy: 2.3974204809691475
Energy: 2.0071568688716352
Energy: 2.146955480973628
Energy: 2.1455416910359735
Energy: 2.4241332637440784
Energy: 2.729800124660258
Energy: 1.9715797273109166
Energy: 1.988456456870301
Energy: 1.993221079914267
Energy: 1.9819005622395887
Energy: 2.410972742317643
Energy: 2.7618596116421723
Energy: 1.9609664614981752
Energy: 1.9674155905404331
Energy: 1.9702569984069207
Energy: 1.9762800950633006
Energy: 2.1516082632963527
Energy: 3.3051756426557146
Energy: 2.1283427722233954
Energy: 1.9564090986652405
Energy: 1.9556342275845202
Energy: 1.970753525465743
Energy: 2.41101596577529
Energy: 3.25762437004292
Energy: 2.219281200744663
Energy: 2.2182654369412167
Energy: 2.2472328710141305
Energy: 2.2157519585670578
Energy: 2.2196615590594226
Energy: 2.7506248785308425
Energy: 2.243307103977518
Energy: 2.2516936754160617
Energy: 2.309278591208841
Energy: 2.2523749061472675
Energy: 2.4205855065275528
Energy: 2.713818590701806
Energy: 2.200196943196019
Energy: 2.223143554130334
Energy: 2.270574993838571
Energy: 2.237330358166461
Energy: 2.40688625166609
Energy: 2.563427099689069
Energy: 2.401605945431598
Energy: 2.2294384300525127
Energy: 1.940075795990263
Energy: 2.491161768531579
Energy: 2.396716888476357
Energy: 2.5251950413933497
Energy: 2.4663974052675446
Energy: 2.4664375360029163
Energy: 2.578422290773208
Energy: 2.39949294626551
Energy: 2.4669252030379467
Energy: 2.53085657774444
Energy: 2.3640228885572734
Energy: 2.3923662936818166
Energy: 2.595531854377001
Energy: 2.3796943599748333
Energy: 2.405436375883967
Energy: 2.490351225011418
Energy: 2.334123666279932
Energy: 2.369512796094399
Energy: 2.6170693261333593
Energy: 2.3168150425122906
Energy: 2.3283347891554667
Energy: 2.0936794328392923
Energy: 2.197548790499232
Energy: 2.393534649705749
Energy: 2.385848023516451
Energy: 2.307115391666886
Energy: 2.427195607580886
Energy: 2.1601457352971134
Energy: 2.089106576526461
Energy: 2.3840742058292212
Energy: 2.386834427578202
Energy: 2.385046142311683
Energy: 2.0854832896343005
Energy: 2.1033819245461562
Energy: 2.0693196408604475
Energy: 2.3849196722614607
Energy: 2.5883277345264255
Energy: 2.067180271329068
Energy: 2.090355000934467
Energy: 2.140168291062647
Energy: 2.097132197571892
Energy: 2.0951879506004407
Energy: 2.6309326106593063
Energy: 2.095255712434654
Energy: 2.117079316010196
Energy: 2.2968202431433484
Energy: 2.328548334954049
Energy: 2.3912043927966664
Energy: 2.4862275256321094
Energy: 2.1302670267157935
Energy: 2.2901093336748786
Energy: 2.320595746192088
Energy: 2.160640281101313
Energy: 2.170434751929565
Energy: 2.620397675697613
Energy: 2.1605777971566282
Energy: 2.1424996209066385
Energy: 2.308420291634055
Energy: 2.1445027033041644
Energy: 2.219499998070008
Energy: 2.635971710201
Energy: 2.1481352205439515
Energy: 2.1447174061700083
Energy: 2.352761615548242
Energy: 2.2226339134206805
Energy: 2.4599688866707696
Energy: 2.4842068483779167
Energy: 2.444955764576098
Energy: 2.1898309632348103
Energy: 2.3081952859116184
Energy: 2.4962362650702077
Energy: 2.4801795724601527
Energy: 2.484346711465263
Energy: 2.45977045007863
Energy: 2.561104021667154
Energy: 2.8753601166703535
Energy: 2.452737503334048
Energy: 2.2781391009125196
Energy: 2.3540877567365737
Energy: 2.2836485969265783
Energy: 2.480744041350377
Energy: 2.782244115892537
Energy: 2.2636517577917052
Energy: 2.2548089948679535
Energy: 2.302727685179276
Energy: 2.265878201787638
Energy: 2.447177426467406
Energy: 2.7305929653473653
Energy: 2.2514054164017034
Energy: 2.2422983981052247
Energy: 2.3632705478877973
Energy: 2.2412451881399718
Energy: 2.4393899270853905
Energy: 2.7818214289839625
Energy: 2.214001866836842
Energy: 2.307956381459179
Energy: 2.0201658093920214
Energy: 2.25782450173029
Energy: 2.333432892941355

minimum gb energy = 1.940075795990263 eV
minimum distance =  2.35111269439232 Angstroms
sigma value = 17


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

Energy: 3.432113659256671
Energy: 2.603740373219195
Energy: 2.0941215673628717
Energy: 2.3237712878591767
Energy: 2.085730117555979
Energy: 2.604263751473025
Energy: 2.690507663139588
Energy: 2.0868618981512372
Energy: 2.072327523422951
Energy: 2.0647579252192663
Energy: 2.1248664482422517
Energy: 2.47215286953176
Energy: 2.124983109329311
Energy: 2.1275134038566987
Energy: 2.1264908847571458
Energy: 2.086066286743337
Energy: 2.126616126765325
Energy: 2.413788178532494
Energy: 2.7220710874277843
Energy: 2.380646387010976
Energy: 2.0851885929897565
Energy: 2.110637802154671
Energy: 2.0853276445027276
Energy: 2.427608076272431
Energy: 2.718315173540533
Energy: 2.4259788879636917
Energy: 2.3933397551957607
Energy: 2.130434772955863
Energy: 2.389443804148487
Energy: 2.4251534782703486
Energy: 2.1402957036830825
Energy: 2.271606535167819
Energy: 2.405059868978442
Energy: 2.0627902480962756
Energy: 2.40709981705642
Energy: 2.149593520385998
Energy: 2.6931718941335
Energy: 2.287258143487494
Energy: 2.3803185198956833
Energy: 2.120646758349989
Energy: 2.288952583575196
Energy: 2.4319017883778504
Energy: 2.748521626622352
Energy: 2.4520973869084237
Energy: 2.384133704630737
Energy: 2.139469189874443
Energy: 2.4217784553504513
Energy: 2.446332494905933
Energy: 2.124220058842714
Energy: 2.4371119537623933
Energy: 2.6296636481495623
Energy: 2.6294741542670197
Energy: 2.4127664533476265
Energy: 2.4195543248334577
Energy: 2.0752277141367346
Energy: 2.122091792197936
Energy: 2.41194902606325
Energy: 2.0872327094356953
Energy: 2.122461179800412
Energy: 2.1237985814937166
Energy: 2.0827196420686493
Energy: 2.1220915431691387
Energy: 2.43410512703549
Energy: 2.1279551626973765
Energy: 2.078640399113595
Energy: 2.126996080202498
Energy: 2.1189087518242564
Energy: 2.085383957016754
Energy: 2.428043207063298
Energy: 2.160431416629319
Energy: 2.1284685149029023
Energy: 2.100376766328133
Energy: 2.132423661941507
Energy: 2.3899867621067505
Energy: 2.4233115035705164
Energy: 2.4046334838961796
Energy: 2.380813278047297
Energy: 2.4022058747085087
Energy: 2.106121509634686
Energy: 2.4149838941242283
Energy: 2.2579052816336924
Energy: 2.1307303414846652
Energy: 2.4131825174434143
Energy: 2.077577369994588
Energy: 2.1237685021884602
Energy: 2.3606736426181634
Energy: 2.4805828122461526
Energy: 2.1856853400580962
Energy: 2.2803808328774493
Energy: 2.393309357192784
Energy: 2.1397787711918053
Energy: 2.2715055322683675
Energy: 2.452540370278659
Energy: 2.4636705302157806
Energy: 2.4541060790895135
Energy: 2.1483842648688345
Energy: 3.395317359471363
Energy: 2.4236649581324694
Energy: 2.5130406562236423
Energy: 2.1491075474670636
Energy: 2.4221133044930068
Energy: 2.629597361950561

minimum gb energy = 2.0627902480962756 eV
minimum distance =  2.40885962884872 Angstroms
sigma value = 17


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

Energy: 3.93543816230883
Energy: 2.7062578007213136
Energy: 2.205455745226882
Energy: 2.403789484798593
Energy: 2.403009611141165
Energy: 2.8087254886254467
Energy: 2.1846243640823513
Energy: 2.1950409358699923
Energy: 2.197680977176401
Energy: 2.1897930587916608
Energy: 2.200418086477761
Energy: 2.642375070085505
Energy: 2.5116495562716077
Energy: 2.2020265964107506
Energy: 2.208366243927401
Energy: 2.1936409523619655
Energy: 2.2119717246502435
Energy: 2.6794465583570974
Energy: 2.980914667962062
Energy: 2.6465431177806717
Energy: 2.209434857015245
Energy: 2.189330250409369
Energy: 2.210045663592688
Energy: 2.683315551429314
Energy: 2.213536765755534
Energy: 2.656575665906809
Energy: 2.7956199273427513
Energy: 2.4563499880678474
Energy: 2.491853714858429
Energy: 2.596219437062008
Energy: 2.208973203029483
Energy: 2.2055984214054667
Energy: 2.7234228704440815
Energy: 2.938251499996014
Energy: 2.7587821062270534
Energy: 2.208614187981361
Energy: 2.1874300277124417
Energy: 2.2253776639702987
Energy: 2.208266976456282
Energy: 2.5438624701870056
Energy: 2.20661709392587
Energy: 2.2081152201877954
Energy: 2.232009066111505
Energy: 2.1827772031685964
Energy: 2.415738392523079
Energy: 2.559469549709271
Energy: 2.1980749025907502
Energy: 2.1826850579190293
Energy: 2.199839597424459
Energy: 2.184617736861982
Energy: 2.504550374834548
Energy: 2.662771726982296
Energy: 2.220588894939173
Energy: 2.1909412757815807
Energy: 2.4782967677046237
Energy: 2.197954308199207
Energy: 2.442802259523319
Energy: 2.4979757433870016
Energy: 2.448146254614293
Energy: 2.201790317879961
Energy: 2.487922817944571
Energy: 2.4522157628248302
Energy: 2.461613156549089
Energy: 2.519801558566263
Energy: 2.440486785678032
Energy: 2.434111955236363
Energy: 2.478906589734501
Energy: 2.484126546814693
Energy: 2.6600952019638875
Energy: 2.7236828346768283
Energy: 2.329760207663373
Energy: 2.2149865164190494
Energy: 2.330683625400065
Energy: 2.6867154346821955
Energy: 2.7040537900763884
Energy: 2.8088575360697905
Energy: 2.692310911860274
Energy: 2.5191415680089633
Energy: 3.264489777232001
Energy: 2.5061030076553164
Energy: 2.492475645376241
Energy: 2.1612713532327503
Energy: 2.756530446549134
Energy: 2.80597006179586
Energy: 2.5659226971053695
Energy: 2.1479970110550184
Energy: 2.146550385437573
Energy: 2.1424782982850337
Energy: 2.1398931621894803
Energy: 2.5675873505010958
Energy: 2.3926163114323806
Energy: 2.1419842042652113
Energy: 2.1369957060599902
Energy: 2.140156753506892
Energy: 2.142341950295061
Energy: 2.735694369498216
Energy: 2.992047990308385
Energy: 2.1392865673144525
Energy: 2.146021471759413
Energy: 2.161881074194553
Energy: 2.1460036034670713
Energy: 2.76286187261286
Energy: 2.9495412736461337
Energy: 2.1456812379995784
Energy: 2.501637720057249
Energy: 2.4694313435450432
Energy: 2.518039015506019
Energy: 2.8057014840608043
Energy: 2.474336495633777
Energy: 2.502336126977911
Energy: 2.683482337427646
Energy: 2.6375835678581083
Energy: 2.6927100973439377
Energy: 2.4319741014454856
Energy: 2.484976010934414
Energy: 2.4175390501023006
Energy: 2.682673013562341
Energy: 2.745499580394697
Energy: 2.4721870841447626
Energy: 2.4260016403195213
Energy: 2.489711782086805
Energy: 2.438289451297361
Energy: 2.462475746050491
Energy: 2.8402527241471534
Energy: 2.451712847289049
Energy: 2.4458616862551823
Energy: 2.248061674496691
Energy: 2.2059913194325005
Energy: 2.3697706220612025
Energy: 2.6493354658778703
Energy: 2.2171692921391313
Energy: 2.2010781867611104
Energy: 2.204782473986154
Energy: 2.2054389017020433
Energy: 2.2241205855494233
Energy: 2.3701135758576495
Energy: 2.198095597060259
Energy: 2.197804800424029
Energy: 2.203176675628465
Energy: 2.193432824345828
Energy: 2.211972074047288
Energy: 2.2259639025251317
Energy: 2.1900892134361496
Energy: 2.2059944823770765
Energy: 2.1695574944940823
Energy: 2.210295445664448
Energy: 2.6591324970172416
Energy: 2.5675099847536265
Energy: 2.4512431027744377
Energy: 2.207942765644647
Energy: 2.2084073249400284
Energy: 2.8260343239690267
Energy: 2.7673604992882876
Energy: 2.715386089926352
Energy: 2.7674711327087635
Energy: 2.774416640149126
Energy: 3.2633984755848644
Energy: 2.802673199630226
Energy: 2.59117508094911
Energy: 2.226425557683374
Energy: 2.7893329472545827
Energy: 2.923085643091692
Energy: 3.200354559213822
Energy: 2.206373064557677
Energy: 2.2062242110266412
Energy: 2.1825214541689064
Energy: 2.207178252472566
Energy: 2.7358052134514583
Energy: 2.2124347475915718
Energy: 2.193171618389261
Energy: 2.1982586678918894
Energy: 2.194499262933886
Energy: 2.1836795597265835
Energy: 2.7769391972307536
Energy: 2.9879744800330554
Energy: 2.211037627391125
Energy: 2.202697880473421
Energy: 2.2013757107484047
Energy: 2.199832685205359
Energy: 2.3564602326987543
Energy: 2.981267896134393
Energy: 2.2022880491499186
Energy: 2.1955160120227353
Energy: 2.498749140451914
Energy: 2.2000211524880737
Energy: 2.1399366682027376
Energy: 2.3164929830022203
Energy: 2.4427902204568785
Energy: 2.4341970435914013
Energy: 2.4638249186206287
Energy: 2.420280110805271
Energy: 2.6753269617172726
Energy: 2.9687870591112504
Energy: 2.682229180068737
Energy: 2.428191171757683
Energy: 2.45439807320482
Energy: 2.4712195733562035
Energy: 2.6774696935728337
Energy: 3.045548994105195
Energy: 2.665427811472459
Energy: 2.4935384226772066
Energy: 2.3175035750620574
Energy: 2.497137950141437
Energy: 2.6634445672269256
Energy: 2.1653821455091284
Energy: 2.4972554394353867
Energy: 2.1402609319547516
Energy: 2.7521962188488325
Energy: 2.150017799846719
Energy: 2.516959026473949
Energy: 2.1556653382622017
Energy: 2.1462647084128537
Energy: 2.5557065177236478
Energy: 2.8491232322824183
Energy: 2.14233661777908
Energy: 2.145023299703733
Energy: 2.1422880464548704
Energy: 2.132668320325237
Energy: 2.130123803372452
Energy: 2.409838291888587
Energy: 2.141593588395366
Energy: 2.133346082641955
Energy: 2.135908641939103
Energy: 2.1624742963765913
Energy: 2.1470049860404
Energy: 2.456003093504729
Energy: 2.152307536625541
Energy: 2.141921802451728
Energy: 2.1698043747389772
Energy: 2.791079850958355
Energy: 2.4954589949592916
Energy: 2.795193018912438
Energy: 2.5108053376574224
Energy: 2.495576908291528
Energy: 2.7201156407025464
Energy: 2.6934490125875623
Energy: 2.5002578620721083
Energy: 2.3314321860170693
Energy: 2.68083699552503
Energy: 2.6937534995589045
Energy: 2.962860962937042
Energy: 2.6382734377058474
Energy: 2.4758219536167463
Energy: 2.4250914192054727
Energy: 2.474076187249649
Energy: 2.552192909687879
Energy: 2.4881581596808697
Energy: 2.4776696583271205
Energy: 2.4282525302552647
Energy: 2.4459117742393106
Energy: 2.457483155205386
Energy: 2.705147924052364
Energy: 2.586629395894509
Energy: 2.4338018865946376
Energy: 2.2012957413846337
Energy: 2.5027812715752753
Energy: 2.2080048807319548
Energy: 2.5844858081122446

minimum gb energy = 2.130123803372452 eV
minimum distance =  2.338095896388 Angstroms
sigma value = 57


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

Energy: 3.1032961936192835
Energy: 2.822745787417409
Energy: 2.476166078707711
Energy: 2.409172628989206
Energy: 2.202196822190306
Energy: 2.85742223731989
Energy: 2.228578088452916
Energy: 2.2076689890241883
Energy: 2.203281867823771
Energy: 2.2026267908534005
Energy: 2.2208056865815333
Energy: 2.5237039961322476
Energy: 2.636040290464711
Energy: 2.227609658679067
Energy: 2.2405717186169913
Energy: 2.208627625572264
Energy: 2.224986734979654
Energy: 2.6786398517851397
Energy: 2.691105574196157
Energy: 2.46261326454093
Energy: 2.2378714341979755
Energy: 2.2076677242531355
Energy: 2.2283010404268495
Energy: 2.7976299127784072
Energy: 2.6378587647656824
Energy: 2.7898875991890884
Energy: 2.838748208185488
Energy: 2.8419877294948965
Energy: 2.5029209076298664
Energy: 2.8298757169208213
Energy: 2.2271747919052034
Energy: 2.237380307246632
Energy: 2.801518518268771
Energy: 2.7586397038517374
Energy: 2.7965359193906902
Energy: 2.2314575257874827
Energy: 2.2148301937827113
Energy: 2.241632672204507
Energy: 2.555837637348239
Energy: 2.5482777490944515
Energy: 2.2351671264494635
Energy: 2.2288364728215964
Energy: 2.210436943898646
Energy: 2.2286240038616483
Energy: 2.5611242399494074
Energy: 2.2209764662674756
Energy: 2.205815978459918
Energy: 2.2195530777801133
Energy: 2.2208497136832785
Energy: 2.2026326772625047
Energy: 2.7949897951503235
Energy: 2.4523268835959304
Energy: 2.231159331048457
Energy: 2.202265863000897
Energy: 2.655470467364206
Energy: 2.222303286761656
Energy: 2.5815396935963975
Energy: 2.606274988185486
Energy: 2.5541409862633975
Energy: 2.20007137869966
Energy: 2.294928062298965
Energy: 2.619764496455858
Energy: 2.584336926109214
Energy: 2.240227244525813
Energy: 2.601632508237243
Energy: 2.591758176897471
Energy: 2.7006159394995266
Energy: 2.6312694129620833
Energy: 2.531199544778358
Energy: 2.557421213927415
Energy: 2.5537648685911702
Energy: 2.2366128605851845
Energy: 2.306584912591317
Energy: 2.5901620333973323
Energy: 2.5497014504085467
Energy: 2.629380352310692
Energy: 2.578734394705675
Energy: 2.58406157206201
Energy: 3.106121967345517
Energy: 2.6084153020688916
Energy: 2.2456198725821133
Energy: 2.237165540631196
Energy: 2.628086049231829
Energy: 2.8498519640379323
Energy: 2.4159715764627743
Energy: 2.2075718185666307
Energy: 2.2061802709536678
Energy: 2.2030579720431653
Energy: 2.223029903168342
Energy: 2.585728222352148
Energy: 2.636185215618844
Energy: 2.2433570315602616
Energy: 2.2574305626140947
Energy: 2.2036881729781537
Energy: 2.2326228280244798
Energy: 2.6772772664432583
Energy: 2.688744322981279
Energy: 2.4624567631442513
Energy: 2.23740749422014
Energy: 2.187574758156552
Energy: 2.238079043224821
Energy: 2.8058332123095644
Energy: 2.6395432312070435
Energy: 2.45690139101797
Energy: 2.5114284927408423
Energy: 2.5941533778156782
Energy: 2.840092515526902
Energy: 2.7908436999550212
Energy: 2.2271396694385586
Energy: 2.4970354121960923
Energy: 2.731427989333705
Energy: 3.0169964940236316
Energy: 2.852014705742527
Energy: 2.2313541406399033
Energy: 2.2087408881048614
Energy: 2.2385663552667334
Energy: 2.232004744686814
Energy: 2.5753797604913893
Energy: 2.229061917042769
Energy: 2.202406544958696
Energy: 2.2076724084799486
Energy: 2.2223106864032496
Energy: 2.5481893008092125
Energy: 2.2024250932284097
Energy: 2.2241168101572324
Energy: 2.220589212412541
Energy: 2.220050835533371
Energy: 2.2035573355598466
Energy: 2.4635427142084567
Energy: 2.4541823081313265
Energy: 2.2236190480860234
Energy: 2.207356694676141
Energy: 2.266402793387875
Energy: 2.2233152631731494
Energy: 2.5672025556665843
Energy: 2.897589401012585
Energy: 2.5861790359713903
Energy: 2.5898462484108196
Energy: 2.3178529334575795
Energy: 2.604032916892225
Energy: 2.433780651159277
Energy: 2.2544423509327793
Energy: 2.5911411020620165
Energy: 2.6052927628138636
Energy: 2.702255938801117
Energy: 2.6350268774133045
Energy: 2.5338440541969587
Energy: 2.5566631762039687
Energy: 2.5498421716456097
Energy: 2.227550529606817
Energy: 2.303569729310003
Energy: 2.6028132687167957
Energy: 2.5640608706034063
Energy: 2.636230309632183
Energy: 2.54457523855879
Energy: 2.591324699117963
Energy: 3.096864992326078
Energy: 2.6119908229157422
Energy: 2.6328303332352574
Energy: 2.2374103176444686
Energy: 2.618141855269245
Energy: 2.4982935506491266

minimum gb energy = 2.187574758156552 eV
minimum distance =  2.39918271665715 Angstroms
sigma value = 43


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

Energy: 3.8853099569440444
Energy: 2.8333857885727007
Energy: 2.310252880620217
Energy: 2.304535080912864
Energy: 2.302923166510924
Energy: 2.862324169187306
Energy: 2.236245596029997
Energy: 2.290428440751953
Energy: 2.2925871324456724
Energy: 2.304721810175497
Energy: 2.301726536429535
Energy: 2.5708900796027083
Energy: 2.6629563024321206
Energy: 2.4783029932616545
Energy: 2.3180183232960543
Energy: 2.291542610412954
Energy: 2.3274206167429567
Energy: 2.5632079544635697
Energy: 2.4991855686063578
Energy: 2.7619600594753657
Energy: 2.320428812271889
Energy: 2.309860110803091
Energy: 2.3183225975743107
Energy: 2.804842677197117
Energy: 2.6692703125921864
Energy: 2.822780638215944
Energy: 2.8040675551249095
Energy: 2.5778111508646364
Energy: 2.8175660684084765
Energy: 2.805621950553454
Energy: 2.238188185446473
Energy: 2.2270585397769147
Energy: 2.863933468232902
Energy: 3.0557463531141
Energy: 2.5734088228663783
Energy: 2.2383737586757406
Energy: 2.224054041033811
Energy: 2.2294963896401585
Energy: 2.2091180827960293
Energy: 2.3309346645255653
Energy: 2.218027819485133
Energy: 2.2202433055984163
Energy: 2.220792718844373
Energy: 2.2049845020257295
Energy: 2.217293885342505
Energy: 2.300946730289051
Energy: 2.208077661191212
Energy: 2.2133456638593287
Energy: 2.2253771098612756
Energy: 2.240789194688151
Energy: 2.568065019280515
Energy: 2.6869025113395324
Energy: 2.4657085030864305
Energy: 2.2453279784597986
Energy: 3.000363387693233
Energy: 2.471915347380506
Energy: 2.7845584230272578
Energy: 2.501231073184886
Energy: 2.790041013565851
Energy: 2.4688393667894273
Energy: 3.1230780201450914
Energy: 2.7979312833184276
Energy: 2.3401412229118055
Energy: 2.333722368700772
Energy: 2.3319122239967327
Energy: 2.4792576067847114
Energy: 2.810415438484728
Energy: 2.6004742741958466
Energy: 2.347357357845134
Energy: 2.3203270192907732
Energy: 2.3371400419038153
Energy: 2.7785974663810973
Energy: 2.7568371936949494
Energy: 2.317477688080682
Energy: 2.323568088146659
Energy: 2.307424730128254
Energy: 2.326296576673884
Energy: 2.3368209868559497
Energy: 3.5082686143618407
Energy: 2.49004143374772
Energy: 2.316439149513945
Energy: 2.3203383671490054
Energy: 2.315921164955968
Energy: 2.8697810936034887
Energy: 2.7692392305604434
Energy: 2.5682412481386976
Energy: 2.3209060378838564
Energy: 2.357651337095916
Energy: 2.326975820674522
Energy: 2.5815072818156533
Energy: 2.8091496436147736
Energy: 2.550324536103389
Energy: 2.528932724103738
Energy: 2.4702482041347147
Energy: 2.550838942420919
Energy: 2.611188635272879
Energy: 2.755137063376766
Energy: 2.607396499024476
Energy: 2.4979858858246606
Energy: 2.359630722994779
Energy: 2.695229053731855
Energy: 2.596134056931747
Energy: 2.743209468572945
Energy: 2.6251961358236415
Energy: 2.5992522678555283
Energy: 2.3869529973765484
Energy: 2.6253403099657096
Energy: 2.6190928600537107
Energy: 2.4839276411834157
Energy: 2.4213648134820254
Energy: 2.8693039701199727
Energy: 2.8142906512292956
Energy: 2.869816193190463
Energy: 2.4265564763848944
Energy: 2.3793232333870047
Energy: 2.3568970678944114
Energy: 2.3664985446147453
Energy: 2.4970815200911045
Energy: 2.3499068532556495
Energy: 2.3559185482530416
Energy: 2.3915164814753043
Energy: 2.372465953172043
Energy: 2.5126064229559266
Energy: 2.35982241806741
Energy: 2.391598810802367
Energy: 2.3538117287600153
Energy: 2.410087519894512
Energy: 2.3884205512088337
Energy: 2.7668976838123585
Energy: 2.7285426798117833
Energy: 2.5075605064530984
Energy: 2.362409634105475
Energy: 2.534345282339048
Energy: 2.804596852541674
Energy: 2.7587236611433292
Energy: 2.3559579003818873
Energy: 2.784360607333064
Energy: 2.803357697354172
Energy: 3.121636212194951
Energy: 2.784733074969063
Energy: 2.2446769804031415
Energy: 2.298555124708767
Energy: 2.2496687935809487
Energy: 2.740372253747882
Energy: 2.50309811172957
Energy: 2.2499496303023863
Energy: 2.2511264718326305
Energy: 2.234058830629099
Energy: 2.2432509490968706
Energy: 2.248537919867287
Energy: 2.4267140855090537
Energy: 2.236733148012538
Energy: 2.245366671206948
Energy: 2.241016998745812
Energy: 2.228634510630876
Energy: 2.7043712678377925
Energy: 2.5017291341136825
Energy: 2.560348050110113
Energy: 2.2414426778999204
Energy: 2.255293060498086
Energy: 2.252594385736797
Energy: 2.745493334956499
Energy: 2.385885257308262
Energy: 2.686344727138851
Energy: 2.558738968984497
Energy: 2.6310779494280605
Energy: 2.580243937408304
Energy: 2.708444881917896
Energy: 2.279309076378005
Energy: 2.315388141912078
Energy: 2.7726154997311125
Energy: 2.8188958886117206
Energy: 2.716738175647369
Energy: 2.323365137434075
Energy: 2.2993049307472146
Energy: 2.313510062837582
Energy: 2.566505714241567
Energy: 2.5814405775468328
Energy: 2.3086974319395885
Energy: 2.317041900741596
Energy: 2.2889959758835934
Energy: 2.3058092075388577
Energy: 2.284250624187932
Energy: 2.6281600173583755
Energy: 2.2766413801680163
Energy: 2.29343652735989
Energy: 2.320264780178348
Energy: 2.3081916228812576
Energy: 2.8658440352241223
Energy: 3.4761221512646205
Energy: 2.299333765420246
Energy: 2.303745646309651
Energy: 2.693353430352139
Energy: 2.577201384347354
Energy: 2.5856010465382426
Energy: 2.6053549640025646
Energy: 2.587045916424245
Energy: 2.5823538405234996
Energy: 2.6558939568374926
Energy: 2.5524001769480367
Energy: 2.5796291786953947
Energy: 2.6688446792896054
Energy: 2.5820381590749713
Energy: 2.5771249117559165
Energy: 2.6878866483146546
Energy: 2.6122940126846568
Energy: 2.586898659104148
Energy: 2.609515822959404
Energy: 2.64386265323717
Energy: 2.569439187958348
Energy: 2.4443955062371168
Energy: 2.5653855057988157
Energy: 2.5871365156669213
Energy: 2.632607024714803
Energy: 2.593939737968007
Energy: 2.5833845597695406

minimum gb energy = 2.2049845020257295 eV
minimum distance =  2.3156853026045 Angstroms
sigma value = 81


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

Energy: 2.1412260780879318
Energy: 2.611238755775173
Energy: 2.2858064939767053
Energy: 2.4833570338431192
Energy: 2.6690113735411485
Energy: 2.2166185719882083
Energy: 2.3918408989228985
Energy: 2.5527746153254447
Energy: 2.5239820738336087
Energy: 2.2872400180991797
Energy: 2.516686316392397
Energy: 2.497635505560991
Energy: 2.4907720474607737
Energy: 2.4875843959460577
Energy: 2.2837263243008743
Energy: 2.2671728110374523
Energy: 2.2855019572090973
Energy: 2.6257937927066872
Energy: 2.497045964812789
Energy: 2.497667284903559
Energy: 2.519014566797771
Energy: 2.518421471945349
Energy: 2.4840164423007343
Energy: 2.4928159791767133
Energy: 2.490895707230093
Energy: 2.4996976800534956
Energy: 2.4882474528968426
Energy: 2.213904413504811
Energy: 2.4854170289378072
Energy: 2.500936707275475
Energy: 2.5186985531313413
Energy: 2.517596115775484
Energy: 2.2147862613507474
Energy: 2.1437521599114002
Energy: 2.4869512133972225
Energy: 2.28721696770579
Energy: 2.2647659712611707
Energy: 2.52276075740991
Energy: 2.5485264148001083
Energy: 2.2871053545353246
Energy: 2.547808844800053
Energy: 2.2813599457037346
Energy: 2.270195669743719
Energy: 2.2835587606862218
Energy: 2.631724212251175
Energy: 2.4947875854258807
Energy: 2.4837195864387693
Energy: 2.281656442265949
Energy: 2.5188660086697845
Energy: 2.286587920264733
Energy: 2.4873416760679503
Energy: 2.4883318249942135
Energy: 2.4878034840354677
Energy: 2.519425258600851
Energy: 2.214747821561384
Energy: 2.4833388294647016
Energy: 2.5006313763597596
Energy: 2.4913931282385158
Energy: 2.4985251119099092
Energy: 2.478143039234214

minimum gb energy = 2.1412260780879318 eV
minimum distance =  2.46331834966748 Angstroms
sigma value = 3


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

Energy: 3.7418447404709307
Energy: 2.99374108717748
Energy: 2.5704112492860154
Energy: 2.5603779818168224
Energy: 2.5689681805231217
Energy: 2.995546172980775
Energy: 2.1777116801593097
Energy: 2.4942048978343507
Energy: 2.4952550976815435
Energy: 2.4858155218879103
Energy: 2.49178602268865
Energy: 2.5431818058105544
Energy: 2.550647072292306
Energy: 2.41398395564547
Energy: 2.464256005884709
Energy: 2.484419848760677
Energy: 2.521907142706199
Energy: 2.502853451459395
Energy: 2.4964824792653633
Energy: 2.4568343844239444
Energy: 2.5685066843515796
Energy: 2.515319217461842
Energy: 2.457515513416851
Energy: 2.452339943157838
Energy: 2.4726984180646787
Energy: 2.4589008328089506
Energy: 2.458477119576579
Energy: 2.5537087840498915
Energy: 2.478178658349039
Energy: 2.4829027702264255
Energy: 2.6153830527241757
Energy: 2.6156893620927395
Energy: 2.8447700920768786
Energy: 2.936369498082307
Energy: 2.485724819474246
Energy: 2.6146820944015494
Energy: 2.884398882612931
Energy: 2.4603663229361876
Energy: 2.6850893217344733
Energy: 2.1945703271393646
Energy: 2.6674827537658463
Energy: 2.49924676113384
Energy: 2.8660146771427804
Energy: 2.6908198716238725
Energy: 2.1983001876951813
Energy: 2.1752403981650086
Energy: 2.202539608878146
Energy: 2.671572351281948
Energy: 2.8800831751878406
Energy: 2.164654780501954
Energy: 2.187353069490169
Energy: 2.1610326947160856
Energy: 2.1735997159990257
Energy: 2.166454081017996
Energy: 2.9149396046684792
Energy: 2.204960499652605
Energy: 2.194961953176092
Energy: 2.190711852520034
Energy: 2.2106010549963147
Energy: 2.5153717560750883
Energy: 3.321222761425342
Energy: 2.719696710951668
Energy: 2.1987806073139873
Energy: 2.190818123165011
Energy: 2.6952216849322728
Energy: 2.912199034192015
Energy: 2.227444420028364
Energy: 2.9467612308930606
Energy: 2.3725344859726514
Energy: 2.889560941584604
Energy: 2.924091216233874
Energy: 2.0795736204540844
Energy: 2.2273620634513076
Energy: 2.2611445661059824
Energy: 2.4191973396856263
Energy: 2.8557447672942695
Energy: 2.2534648057106574
Energy: 2.2502295062459146
Energy: 2.248255912678933
Energy: 2.2383223652473134
Energy: 2.3655854380306978
Energy: 2.8941062592893907
Energy: 2.2385746121063126
Energy: 2.239912705280108
Energy: 2.2436329361586287
Energy: 2.337807924137647
Energy: 2.2207093528158484
Energy: 2.8376076266940737
Energy: 2.4030680766500327
Energy: 2.245933727020303
Energy: 2.0770854203035465
Energy: 2.4025932134245043
Energy: 2.8048468766523884
Energy: 2.213947274521311
Energy: 2.7843083880151585
Energy: 2.25393389111628
Energy: 2.9916648988686
Energy: 2.632013161326381
Energy: 2.231024157340839
Energy: 2.477782040907734
Energy: 2.207015225137949
Energy: 2.101845218555373
Energy: 2.837318392730168
Energy: 2.4282236702565503
Energy: 2.2153096422122687
Energy: 2.4631156163426473
Energy: 2.2075258695616506
Energy: 2.1040633735085557
Energy: 2.59122976411946
Energy: 2.389997781851641
Energy: 2.416028706069332
Energy: 2.439262617737845
Energy: 2.4401543543663706
Energy: 2.648286713454737
Energy: 2.5782422817916135
Energy: 2.525516052295185
Energy: 2.2161253912436103
Energy: 2.4658476975639854
Energy: 2.4404247402848953
Energy: 2.5257326999203955
Energy: 2.548380645121668
Energy: 2.5253176734756746
Energy: 2.4723148665330723
Energy: 2.4712395904424778
Energy: 2.5227617679592402
Energy: 2.5727567797514297
Energy: 2.6904050837403344
Energy: 2.546886321946007
Energy: 2.649472816627131
Energy: 2.7230165426641415
Energy: 2.5510701834694376
Energy: 2.5332641246621566
Energy: 2.760900850167748
Energy: 2.543287331917885
Energy: 2.391275228075438
Energy: 2.6126909272222494
Energy: 2.809106816630456
Energy: 2.5297960953092895
Energy: 2.9312689294259733
Energy: 2.8428525140634937
Energy: 2.2437802880817594
Energy: 2.186783128552104
Energy: 2.204788102525067
Energy: 2.765371445780773
Energy: 2.9221712995843903
Energy: 2.167470800545746
Energy: 2.1992492415785443
Energy: 2.1559668078909113
Energy: 2.1692691448448485
Energy: 2.917484251626522
Energy: 2.9111429201194303
Energy: 2.183439927544152
Energy: 2.2337488543454738
Energy: 2.2014414783200182
Energy: 2.1952901404376375
Energy: 2.577876949786893
Energy: 3.3345359660293457
Energy: 2.8492483402065596
Energy: 2.197737700643003
Energy: 2.187438135101911
Energy: 2.1953544908698492
Energy: 2.909775586020852
Energy: 2.4424736474190087
Energy: 2.178154619347064
Energy: 2.3958104407404384
Energy: 2.866045389158963
Energy: 2.396099120926738
Energy: 2.1867962869905178
Energy: 2.1640426005021896
Energy: 2.162518087110654
Energy: 2.8721103016176053
Energy: 2.1881244977564114
Energy: 2.1873810402295137
Energy: 2.164134040133419
Energy: 2.169708651232798
Energy: 2.1721932732427494
Energy: 2.1799857099955045
Energy: 2.832475470149336
Energy: 2.1725646483252463
Energy: 2.177481943676859
Energy: 2.177643975181863
Energy: 2.1742381939803956
Energy: 2.7701303515537252
Energy: 2.7419659394888134
Energy: 2.1618015307383236
Energy: 2.169025318216804
Energy: 2.1910726750990204
Energy: 2.171844374193761
Energy: 2.8530871007250798
Energy: 2.8512375461692923
Energy: 2.8520157486762594
Energy: 2.17593024080226
Energy: 2.3011552227566225
Energy: 2.5590006645092633
Energy: 2.490563155717604
Energy: 2.882623190215164
Energy: 2.490306086587019
Energy: 2.4626520284890985

minimum gb energy = 2.0770854203035465 eV
minimum distance =  2.40180312365453 Angstroms
sigma value = 67


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

Energy: 2.838552074149113
Energy: 2.9808854370263913
Energy: 2.4431311546948504
Energy: 2.43942712864661
Energy: 2.4450150105906974
Energy: 3.0367423274719516
Energy: 2.0447481662050686
Energy: 2.4855272424039803
Energy: 2.464352474909307
Energy: 2.4280793783743198
Energy: 2.4874690163871858
Energy: 2.4692265350707787
Energy: 2.416416201103812
Energy: 2.199175696006437
Energy: 2.4171818182876503
Energy: 2.4298247252280767
Energy: 2.230701208434194
Energy: 2.4995226913522477
Energy: 2.446841048724108
Energy: 2.417670989411288
Energy: 2.5240110438909
Energy: 2.4271238659776713
Energy: 2.211330579877133
Energy: 2.4190487727671997
Energy: 2.404396448797913
Energy: 2.4197305053908233
Energy: 2.385103864076084
Energy: 2.4539471918737807
Energy: 2.2383472178221133
Energy: 2.410107410009528
Energy: 2.4793843144433145
Energy: 2.4612093419881247
Energy: 2.9492615751564966
Energy: 2.928135482919189
Energy: 2.928469989481342
Energy: 2.4770799378718777
Energy: 2.7735997865485085
Energy: 2.4614010472271928
Energy: 2.1469335135179466
Energy: 2.441114902474716
Energy: 2.5109305975635015
Energy: 2.4317167705334546
Energy: 2.7573682129394896
Energy: 2.4865502487136713
Energy: 2.0578111417991916
Energy: 2.051340560523888
Energy: 2.057703502502548
Energy: 2.735755294806521
Energy: 2.8457350403102466
Energy: 2.07603655486402
Energy: 2.087578142924257
Energy: 2.0564293996974854
Energy: 2.1440729497262834
Energy: 2.9206439202308125
Energy: 2.8396007142948414
Energy: 2.0663931323690727
Energy: 2.070163076271958
Energy: 2.1130779844818828
Energy: 2.0757638080599565
Energy: 2.5728779631551935
Energy: 2.5077638028668936
Energy: 2.9164043475063006
Energy: 2.0542497428507516
Energy: 2.0447937287841764
Energy: 2.597088693325226
Energy: 2.4243832935384044
Energy: 2.4865708381194147
Energy: 2.453511111487164
Energy: 2.170607424929344
Energy: 2.042267098398341
Energy: 2.605627209532288
Energy: 2.531258058652987
Energy: 2.4096239781220494
Energy: 2.4219606051329396
Energy: 2.1711508497512515
Energy: 2.0429627892552493
Energy: 2.1908005361749017
Energy: 2.4256509250813756
Energy: 2.431782011582157
Energy: 2.4228081311453096
Energy: 2.498429245852983
Energy: 2.41611152152094
Energy: 2.196078543619753
Energy: 2.446578788420069
Energy: 2.420403982503681
Energy: 2.210029846171847
Energy: 2.2272071756585263
Energy: 2.4251505784065692
Energy: 2.2380297050218783
Energy: 2.431147716765125
Energy: 2.4219948667361875
Energy: 2.231744784681756
Energy: 2.4179188466518076
Energy: 2.4297971705900165
Energy: 2.445534255514956
Energy: 2.4976439062552145
Energy: 2.5011086766726844
Energy: 2.5638063545218945
Energy: 2.4288117560017466
Energy: 2.4385678014421415
Energy: 2.4307765249725666
Energy: 2.9477457281133885
Energy: 2.4968398605709896
Energy: 2.091645449495666
Energy: 2.4071806430630667
Energy: 2.953231104425238
Energy: 2.4734699695013806
Energy: 2.0731788282118546
Energy: 2.044318071749597
Energy: 2.0574948602465444
Energy: 2.742409104317497
Energy: 2.8228318497105347
Energy: 2.914061473007099
Energy: 2.0515081226746212
Energy: 2.0540900287841493
Energy: 2.0720333741522943
Energy: 2.3853334822161507
Energy: 2.863566811723166
Energy: 2.1288455024905284
Energy: 2.0539831119023475
Energy: 2.0552551057449904
Energy: 2.0816321307789214
Energy: 2.568435269144751
Energy: 2.8432049196326132
Energy: 2.082423000904975
Energy: 2.076178889280689
Energy: 2.0443709961520464
Energy: 2.057545860756333
Energy: 2.5116037924853134
Energy: 2.4303290153959116
Energy: 2.0758013174547956
Energy: 2.0554097580543456
Energy: 2.453920565684982
Energy: 2.5907506398030247
Energy: 2.464212153064374
Energy: 2.89194385658084
Energy: 2.4865476005554448
Energy: 2.5270125967652204

minimum gb energy = 2.042267098398341 eV
minimum distance =  2.41423911062493 Angstroms
sigma value = 33


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

Energy: 3.6477801544767687
Energy: 2.9563353214146417
Energy: 2.592382773784834
Energy: 2.5930356273717634
Energy: 2.5916423403420756
Energy: 3.0585052417114498
Energy: 2.003726655139754
Energy: 2.317614640778458
Energy: 2.56662706202562
Energy: 2.5663053888777347
Energy: 2.660644335035187
Energy: 2.7052401840457105
Energy: 2.157100344590441
Energy: 2.230714271120664
Energy: 2.6095044289201508
Energy: 2.3764794522866297
Energy: 2.4450808652063842
Energy: 2.2377683530596757
Energy: 2.1737925356752226
Energy: 2.1797976898676943
Energy: 2.3691869245124653
Energy: 2.6058319013012277
Energy: 2.1793249049512213
Energy: 2.190183206113754
Energy: 2.1572989948602403
Energy: 2.168636694330411
Energy: 2.288588137866892
Energy: 2.4516035223587327
Energy: 2.194645615090828
Energy: 2.160878859165483
Energy: 2.176942435427595
Energy: 2.167932603421229
Energy: 3.0082289153536603
Energy: 2.6185404197497064
Energy: 3.0411052398522074
Energy: 2.1733990569853057
Energy: 2.345149670878705
Energy: 2.17974935023535
Energy: 2.5038629062278868
Energy: 2.295666126226015
Energy: 2.4999518639921567
Energy: 2.401683331467494
Energy: 2.3452460835503346
Energy: 2.1562728868334937
Energy: 2.1596298868098804
Energy: 2.157316423521206
Energy: 2.1681179279985137
Energy: 2.299377620853333
Energy: 2.231204857732586
Energy: 2.1707467943524574
Energy: 2.1850997194859607
Energy: 2.1810183650506243
Energy: 2.188877407421435
Energy: 2.7172200426119733
Energy: 2.6119249509524094
Energy: 2.357974639577503
Energy: 2.2309065613277883
Energy: 2.178436314793897
Energy: 2.26983628288243
Energy: 2.335684886743736
Energy: 2.5858575829515282
Energy: 2.6311486622853755
Energy: 2.2378637567594812
Energy: 2.15657057600515
Energy: 2.3206496063723945
Energy: 2.6255482580903844
Energy: 2.584661003126338
Energy: 2.559733910961096
Energy: 2.010066375631191
Energy: 2.167491364236251
Energy: 2.6436350564224234
Energy: 2.561254202181601
Energy: 2.6285348204286785
Energy: 2.5565241805624965
Energy: 2.0036892673243574
Energy: 1.9871988399383131
Energy: 2.58137082595952
Energy: 2.799429658867247
Energy: 2.85453629343651
Energy: 2.993698573714107
Energy: 1.9847521379320203
Energy: 1.9856311420086696
Energy: 1.99587940110167
Energy: 2.870893186688491
Energy: 2.806815606708671
Energy: 2.00612387495304
Energy: 1.9863950051093051
Energy: 1.964303175716028
Energy: 1.9926664214135594
Energy: 2.7259672423188848
Energy: 2.71601086235295
Energy: 2.0027079864754906
Energy: 2.0014754195125035
Energy: 1.9792211331442473
Energy: 2.004880794419435
Energy: 2.943759307391354
Energy: 2.5741407769448936
Energy: 1.9976314392484074
Energy: 1.9847671583329671
Energy: 1.988271846264735
Energy: 1.9892147765277532
Energy: 2.5380145825766456
Energy: 2.6788318899180603
Energy: 2.576510125471596
Energy: 2.6114206121518184
Energy: 1.9943230220287231
Energy: 2.323948922572272
Energy: 2.6150391712273557
Energy: 2.592199363969121
Energy: 2.59753413196808
Energy: 2.9518268357379456
Energy: 2.332405554976623
Energy: 2.9359095076841086
Energy: 2.5852627629161447
Energy: 2.5922106853077795
Energy: 2.6154971758692986
Energy: 2.3574063082652903
Energy: 1.9893957370630646
Energy: 2.303246268846305
Energy: 2.5786623489976424
Energy: 2.3712197463270708
Energy: 2.6223067342520845
Energy: 2.23470740742665
Energy: 2.158326243421068
Energy: 2.341235487897807
Energy: 2.6213983734870245
Energy: 2.603289399955434
Energy: 2.3482561794911474
Energy: 2.191050829053
Energy: 2.1700173056013297
Energy: 2.1823166655954087
Energy: 2.7501268871150817
Energy: 2.1735436457836337
Energy: 2.1938127761064603
Energy: 2.165689342306552
Energy: 2.163272649281343
Energy: 2.1890055178617693
Energy: 2.1661858649385244
Energy: 3.2791802068142593
Energy: 2.542357170753297
Energy: 2.171048350761708
Energy: 2.1712846594451647
Energy: 2.1726591027747952
Energy: 3.0111149006717617
Energy: 2.173576649402674
Energy: 2.5036007064843995
Energy: 2.167258316635905
Energy: 2.3438191196830815
Energy: 2.1661877674750682
Energy: 2.496159781239945
Energy: 2.1736267932928124
Energy: 2.1752869546806886
Energy: 2.283870874405688
Energy: 2.915339315778308
Energy: 2.1679443425160425
Energy: 2.187207276391573
Energy: 2.1832433596181064
Energy: 2.1873474762998164
Energy: 2.174148943030413
Energy: 2.7332784417195515
Energy: 2.1695189646284816
Energy: 2.1752734129524125
Energy: 2.2175419970752466
Energy: 2.2308648366674038
Energy: 2.34991693409554
Energy: 2.6006528028833635
Energy: 2.0117707291400975
Energy: 2.2022669113940214
Energy: 2.1565358719861094
Energy: 2.3117169478456967
Energy: 2.627111704537822
Energy: 2.656909133424012
Energy: 2.627782810931203
Energy: 2.2452611126738304
Energy: 2.170817174997396
Energy: 2.0091465905935935
Energy: 2.563478093211459
Energy: 2.5558722283330524
Energy: 2.5662231139751426
Energy: 2.2285609043449104
Energy: 2.173784454483654
Energy: 2.9056513863637807
Energy: 2.597728013007462
Energy: 2.6163001183353938
Energy: 2.589865138558311
Energy: 2.5127705527721633
Energy: 1.9830290576597744
Energy: 1.9893219477246697
Energy: 2.995704481918843
Energy: 2.825748292441871
Energy: 2.5327548478428685
Energy: 1.9845514947300433
Energy: 1.9655524885968907
Energy: 1.9922022018603012
Energy: 2.3374108619151337
Energy: 2.8086762824039875
Energy: 2.0126996999773876
Energy: 1.9657729950833902
Energy: 1.9733838969118924
Energy: 2.0011866381827246
Energy: 1.99273412122786
Energy: 2.972730943322391
Energy: 1.9940755503163874
Energy: 2.0018589845142922
Energy: 1.9736847334793537
Energy: 1.992708616243384
Energy: 1.9951139392282211
Energy: 2.874822416486432
Energy: 1.9950454194675507
Energy: 1.9826705158934432
Energy: 1.9828514643759303
Energy: 2.5901975511124484
Energy: 2.5740898266451597
Energy: 2.833698421300388
Energy: 3.0119353395481165
Energy: 1.9846620886488724
Energy: 1.9925550322386858
Energy: 2.9252005509807497
Energy: 2.586933384262648
Energy: 2.562454418998659
Energy: 2.797075416605088
Energy: 2.3284677673647454

minimum gb energy = 1.964303175716028 eV
minimum distance =  2.3641440009723 Angstroms
sigma value = 41


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

Energy: 2.83378176654715
Energy: 2.8056122177651663
Energy: 2.1152905831337945
Energy: 2.17774944070255
Energy: 2.1150207602406095
Energy: 2.874681951465505
Energy: 2.139765887706927
Energy: 1.7279320894065142
Energy: 1.7349306189050935
Energy: 2.162436563859357
Energy: 1.7413719782993178
Energy: 2.209769457173044
Energy: 2.1439665681792377
Energy: 1.7357827326359927
Energy: 1.7374816142791067
Energy: 1.6105547684755437
Energy: 1.7356512896459244
Energy: 2.2109148835696226
Energy: 2.2496909235470643
Energy: 2.2631529278288
Energy: 1.735033399823666
Energy: 2.2004805163366243
Energy: 1.7658777206747307
Energy: 2.2677271964452754
Energy: 2.144293274315384
Energy: 2.13924608054249
Energy: 2.283533616596629
Energy: 2.1524452406953567
Energy: 1.7392237241432174
Energy: 2.1411574650759198
Energy: 2.101888856723323
Energy: 2.102359033605801
Energy: 2.1401208457903933
Energy: 2.2200476527080664
Energy: 2.115165914583179
Energy: 2.1020904162925245
Energy: 2.7157069592967606
Energy: 2.140188813049781
Energy: 2.186148104420453
Energy: 2.1524497414423296
Energy: 2.2642608380836085
Energy: 2.314792726352611
Energy: 2.715785712871526
Energy: 1.7386131828669011
Energy: 2.1456299136794184
Energy: 2.1418243535067636
Energy: 2.140977075740135
Energy: 2.293362799581065
Energy: 2.1405788572251248
Energy: 2.210961937988595
Energy: 1.844096399839724
Energy: 1.6035070513125287
Energy: 1.7241644555842188
Energy: 2.211817331493417
Energy: 2.189714764448649
Energy: 1.7426023856876478
Energy: 1.7371983158360558
Energy: 2.1612435233079053
Energy: 1.8423217614102088
Energy: 1.7524462401551018
Energy: 2.1903306315103435
Energy: 2.419523998108905
Energy: 1.8653010517388473
Energy: 2.199259102148119
Energy: 1.7641407748052673
Energy: 2.2653330334562374
Energy: 2.1350987053208748
Energy: 2.142377235446864
Energy: 1.7319468458063962
Energy: 2.168490102409888
Energy: 2.139670226425551
Energy: 2.1421607364772033
Energy: 2.1012113793753766
Energy: 2.142579101216326
Energy: 1.85130665795797
Energy: 2.152288529479293
Energy: 2.1391619750276423
Energy: 2.1564543448848457
Energy: 2.833537124304499
Energy: 2.2647275342228146
Energy: 2.1857338724727335
Energy: 2.1847846867745293
Energy: 2.186200892491805
Energy: 2.875513980351724

minimum gb energy = 1.6035070513125287 eV
minimum distance =  2.41419303017857 Angstroms
sigma value = 11


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

Energy: 3.483229893693854
Energy: 2.5366332353192367
Energy: 2.5328425348729366
Energy: 2.603664120157209
Energy: 2.6132387727855306
Energy: 3.1423045634314315
Energy: 2.199226473188223
Energy: 2.388679379003419
Energy: 2.486437344387674
Energy: 2.547548173940515
Energy: 2.7123720925229056
Energy: 2.5632819217166283
Energy: 2.1291661385792553
Energy: 2.153534106046291
Energy: 2.4662066807808576
Energy: 2.7434596383084595
Energy: 2.4541171269268447
Energy: 2.096995471459787
Energy: 2.07732411401932
Energy: 2.1224421158238895
Energy: 2.141554206861292
Energy: 2.492157340841213
Energy: 2.111637940036452
Energy: 2.1147609356905317
Energy: 2.10688077122423
Energy: 2.1074786658562568
Energy: 2.1046820123217254
Energy: 2.6282236544996587
Energy: 2.1060854283780377
Energy: 2.1086078439435285
Energy: 2.1190899308494013
Energy: 2.059979169563859
Energy: 2.907532780948924
Energy: 2.5825422561016387
Energy: 2.493246256272889
Energy: 2.0906615501027397
Energy: 2.510071080853442
Energy: 2.2848534193004975
Energy: 2.630239298347856
Energy: 2.6434920083175095
Energy: 2.530488326802756
Energy: 2.5218758874717597
Energy: 2.534602832681432
Energy: 2.707068700968006
Energy: 2.5995118503305212
Energy: 2.6415689601406447
Energy: 2.729856644776575
Energy: 2.7500136736060927
Energy: 2.25095429989228
Energy: 2.1746263200406903
Energy: 2.679461593192758
Energy: 2.690041850559035
Energy: 2.3098077547911
Energy: 2.1645818114351725
Energy: 2.2625727154688935
Energy: 2.2686100653556163
Energy: 2.304993317610884
Energy: 2.689584453671361
Energy: 2.3084336795930067
Energy: 2.2691132059511077
Energy: 2.2541097679746462
Energy: 2.3749815739688924
Energy: 2.367632523063633
Energy: 2.3828450398911065
Energy: 2.354316845552049
Energy: 2.342856094123584
Energy: 2.362264684974519
Energy: 2.3193265865773127
Energy: 2.5111747520410193
Energy: 2.439284540506634
Energy: 2.5430404346626942
Energy: 2.2870237750078672
Energy: 2.445479718968086
Energy: 2.3225979221824566
Energy: 2.2790808912317475
Energy: 2.27676311499975
Energy: 2.278963013324354
Energy: 2.2969068368805727
Energy: 2.661965869922833
Energy: 2.308462759143236
Energy: 2.313850549215467
Energy: 2.2929495218767966
Energy: 2.3055839662445075
Energy: 2.577793340557208
Energy: 2.433368483419699
Energy: 2.303978631538577
Energy: 2.47041946855741
Energy: 2.2983825546877563
Energy: 2.4301979040551243
Energy: 2.379228055823485
Energy: 2.5151078770365562
Energy: 2.447679320270272
Energy: 2.388810281826977
Energy: 3.244939573053338
Energy: 2.4344115367826005
Energy: 2.4452917179517204
Energy: 2.4467458361573606
Energy: 2.382430234740338
Energy: 2.5722629747593047
Energy: 2.4450000314594442
Energy: 2.610067591053503
Energy: 2.3945512170313523
Energy: 2.7643837129185114
Energy: 2.6621193442943145
Energy: 2.1273553686655355
Energy: 2.1505692897374717
Energy: 2.1721959755094815
Energy: 2.769739859006038
Energy: 2.415079947012015
Energy: 2.24468908616863
Energy: 2.196361279904796
Energy: 2.1612378302731026
Energy: 2.192702911491684
Energy: 2.6907594451532217
Energy: 2.609247691457502
Energy: 2.3301373207782254
Energy: 2.1755076154112425
Energy: 2.217239294751002
Energy: 2.2593148700610635
Energy: 2.459024240021422
Energy: 2.609096496024706
Energy: 2.8790533655797454
Energy: 2.1689546179680375
Energy: 2.2148075440152963
Energy: 2.3341683581987382
Energy: 2.900189049239526
Energy: 2.6418299235858047
Energy: 2.5650494849197605
Energy: 2.3129330854364785
Energy: 2.426584722539186
Energy: 2.3237271188988284
Energy: 2.6460940295632795
Energy: 2.5982993430690677
Energy: 2.377456632353028
Energy: 2.7388270822980774
Energy: 2.503023338888681
Energy: 2.632208045501629
Energy: 2.637599509744184
Energy: 2.7592634681191077
Energy: 2.329490406260871
Energy: 2.4279088909075472
Energy: 2.294259957371365
Energy: 2.3123232823014632
Energy: 2.660999076694665
Energy: 2.749983392552838
Energy: 2.4361448227048523
Energy: 2.2574009118341025
Energy: 2.2710818052031074
Energy: 2.26574960511249
Energy: 2.41812494604605
Energy: 2.2422956345094844
Energy: 2.342089331965168
Energy: 2.3556316245258495
Energy: 2.3152245554897872
Energy: 2.397078500756253
Energy: 2.3968982035801116
Energy: 2.2696400780994836
Energy: 2.3727629659951632
Energy: 2.313515567059876
Energy: 2.2654601128801404
Energy: 2.2180530161320613
Energy: 2.364404464457876
Energy: 2.2169306219472813
Energy: 2.342157306393481
Energy: 2.2970951192876887
Energy: 2.314710071155917
Energy: 2.395987536075054
Energy: 2.3163755406695516
Energy: 2.237975791440935
Energy: 2.2453206506464265
Energy: 2.4308751282700687
Energy: 2.692503078565515
Energy: 2.241858680509142
Energy: 2.2510819044906465
Energy: 2.239326617021587
Energy: 2.240435227880928
Energy: 2.5084715923609804
Energy: 2.5783242690961314
Energy: 2.4332741375551796
Energy: 2.3285908748918764
Energy: 2.7456364538896905
Energy: 2.564926402496086
Energy: 2.5656724610621384
Energy: 2.5372438971984455
Energy: 2.5643501839968743
Energy: 2.7073528065409946

minimum gb energy = 2.059979169563859 eV
minimum distance =  2.38702994223023 Angstroms
sigma value = 57


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

Energy: 3.412481366799963
Energy: 2.554526099566781
Energy: 2.463229744756714
Energy: 2.427368439494752
Energy: 2.465326172633627
Energy: 2.23049531329567
Energy: 2.1042438908897285
Energy: 2.286596240990149
Energy: 2.244517875233566
Energy: 2.1351740259529537
Energy: 2.314079085087333
Energy: 2.1721927129854053
Energy: 2.103429314417205
Energy: 2.372695356672158
Energy: 2.3976208305167908
Energy: 2.2081164574279013
Energy: 2.3811195967830607
Energy: 2.205223890799353
Energy: 2.1454963134121137
Energy: 2.2379750585934395
Energy: 2.3138694075263766
Energy: 2.1357777537922416
Energy: 2.2356484727391033
Energy: 2.173418315309511
Energy: 2.105262700061615
Energy: 2.210412421017789
Energy: 2.4003909605379996
Energy: 2.4277543323613138
Energy: 2.367890602854796
Energy: 2.2242538002778236
Energy: 2.1055460594884936
Energy: 2.393779190128798
Energy: 2.724182609451879
Energy: 2.417307415964716
Energy: 2.4092137735888874
Energy: 2.3897238211162017
Energy: 2.4147447130315602
Energy: 2.3486573681570833
Energy: 2.4575250588598245
Energy: 2.483052868855363
Energy: 2.1739538502259275
Energy: 2.318272685566897
Energy: 2.4787255359014786
Energy: 2.1039656482748796
Energy: 2.449549424295126
Energy: 2.4200256024088094
Energy: 2.51012382295826
Energy: 2.3144900264102177
Energy: 2.104767105909908
Energy: 2.1352156933073685
Energy: 2.172855950384131
Energy: 2.112830124386237
Energy: 2.313913435683983
Energy: 2.171724088315473
Energy: 2.104117566968555
Energy: 2.1733519335603337
Energy: 2.170648363662277
Energy: 2.7861088390471243
Energy: 2.313339431746047
Energy: 2.135873401503807
Energy: 2.1999164613002553
Energy: 2.3850789078351204
Energy: 2.1718582207618775
Energy: 2.1035102042834337
Energy: 2.4115388638274213
Energy: 2.3139665957237177
Energy: 2.0780523425750195
Energy: 2.3969546236704113
Energy: 2.2112626351283757
Energy: 2.142623652337153
Energy: 2.2227184089313416
Energy: 2.314115807113531
Energy: 2.1040480574731175
Energy: 2.23640490782852
Energy: 2.210736453951671
Energy: 2.1043371003772404
Energy: 2.2353919758376875
Energy: 2.417512277361628
Energy: 2.1043747933434176
Energy: 2.409837888129501
Energy: 2.373432829261789
Energy: 2.136314307538096
Energy: 2.373724663532079
Energy: 2.314142985864184
Energy: 2.4425653243902765
Energy: 2.5609374870568367
Energy: 2.318582134986152
Energy: 2.13625831866527
Energy: 2.3164200040378176
Energy: 2.4300279595523966
Energy: 2.486009740413542
Energy: 2.508018739934369
Energy: 2.5086261123383746
Energy: 2.5756454111220686
Energy: 2.4818718165042735
Energy: 2.5057956588357637
Energy: 2.4319863957998904
Energy: 2.2878356271219404
Energy: 2.1045703261079987
Energy: 2.3423349855782165
Energy: 2.3141263106841308
Energy: 2.4856329360931038

minimum gb energy = 2.0780523425750195 eV
minimum distance =  2.44324830055317 Angstroms
sigma value = 9


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

Energy: 3.745587043291828
Energy: 2.622865196910325
Energy: 2.4068487951346804
Energy: 2.4509381370526246
Energy: 2.4068474270769213
Energy: 2.3523739520557996
Energy: 2.2869414594786965
Energy: 2.4747098175123146
Energy: 2.4747985795172585
Energy: 2.5305488750342926
Energy: 2.4735634812050744
Energy: 2.5537264325082027
Energy: 2.272436916248989
Energy: 2.369511764660737
Energy: 2.4574899839421542
Energy: 2.5075707818949287
Energy: 2.454510989729513
Energy: 2.3691437632577323
Energy: 2.293639893834368
Energy: 2.306223566815079
Energy: 2.499284528852914
Energy: 2.2793140414742554
Energy: 2.483154762175056
Energy: 2.3054199216958815
Energy: 2.3306742862966603
Energy: 2.4599081337809015
Energy: 2.5320846602293514
Energy: 2.2954174668417013
Energy: 2.5005244564934395
Energy: 2.4402740340710296
Energy: 2.2843464961551976
Energy: 2.502019579038451
Energy: 2.4333676724755215
Energy: 2.311637780363451
Energy: 2.4840735013699407
Energy: 2.516641961550433
Energy: 2.597518388599368
Energy: 2.4511326537090454
Energy: 2.382167464925825
Energy: 2.2814503832135338
Energy: 2.3871010743539687
Energy: 2.5149071001138843
Energy: 2.642925928480814
Energy: 2.472415206520751
Energy: 2.4310427081890085
Energy: 2.2755137782063404
Energy: 2.4293474362591714
Energy: 2.4728637323607807
Energy: 2.590020791966876
Energy: 2.2859132495505126
Energy: 2.472091879221949
Energy: 2.5720494456635685
Energy: 2.4828880639487707
Energy: 2.584767965326839
Energy: 2.607963249236709
Energy: 2.275381429793979
Energy: 2.4728107482978325
Energy: 2.6063708324277837
Energy: 2.473310397068222
Energy: 2.5943205064072394
Energy: 2.854290411405078
Energy: 2.472282887031507
Energy: 2.399019918832543
Energy: 2.2765125982701893
Energy: 2.4079818669564785
Energy: 2.3520672874763298
Energy: 2.853243678729983
Energy: 2.471931499955985
Energy: 2.3126095639713293
Energy: 2.312399836672078
Energy: 2.482755898088956
Energy: 2.498421284009383
Energy: 2.267222348477747
Energy: 2.4513176772271423
Energy: 2.4723474563670202
Energy: 2.380553538355406
Energy: 2.4545964113489536
Energy: 2.3733626091601008
Energy: 2.2926176907602818
Energy: 2.3596141678765856
Energy: 2.5118679051438706
Energy: 2.3482645401228965
Energy: 2.450806347006897
Energy: 2.368768410194499
Energy: 2.3253893589293053
Energy: 2.4271103937938845
Energy: 2.357029407295874
Energy: 2.295630819897456
Energy: 2.4970065465034454
Energy: 2.3697884406045024
Energy: 2.311532882332281
Energy: 2.502511299038474
Energy: 2.4346281121258926
Energy: 2.3275969694459855
Energy: 2.4633711055557375
Energy: 2.4902158082366994
Energy: 2.290521379711735
Energy: 2.5119565313658403
Energy: 2.387567469878322
Energy: 2.327613989650866
Energy: 2.384886669770968
Energy: 2.5909518412646646
Energy: 2.339567162067364
Energy: 2.460495225595833
Energy: 2.269863125666868
Energy: 2.2786993640928563
Energy: 2.4306389512304674
Energy: 2.472744025135285
Energy: 2.5971276977337303
Energy: 2.555194571664485
Energy: 2.4734207825882844
Energy: 2.2842155832034177
Energy: 2.4733430373119116
Energy: 2.282257690322636
Energy: 2.6143419392746168
Energy: 2.2769597815724127
Energy: 2.5903206974323414
Energy: 2.630729772582682
Energy: 2.578959995244287
Energy: 2.514464018259852
Energy: 2.854866330992083
Energy: 2.4733600244113294
Energy: 2.3111153685487564
Energy: 2.522456647318921
Energy: 2.4737092660707547
Energy: 2.5544951155685918

minimum gb energy = 2.267222348477747 eV
minimum distance =  2.42110585715872 Angstroms
sigma value = 27


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

Energy: 2.538175168233393
Energy: 2.5204653693897785
Energy: 2.515731216598555
Energy: 2.360589844074524
Energy: 2.5158210319936782
Energy: 2.2655748813516157
Energy: 2.265334539848184
Energy: 2.529249430733611
Energy: 2.5150535210240252
Energy: 2.280284525219306
Energy: 2.531625022419207
Energy: 2.260812287272107
Energy: 2.279236010761499
Energy: 2.4284377912196593
Energy: 2.6106310518856053
Energy: 2.63709924360845
Energy: 2.4365380801952212
Energy: 2.2581277972386693
Energy: 2.2927489739222815
Energy: 2.2828851328035475
Energy: 2.4930621114642197
Energy: 2.260629088671132
Energy: 2.4561869684327666
Energy: 2.2859014657959724
Energy: 2.357401439263287
Energy: 2.45072413368032
Energy: 2.4487841770140895
Energy: 2.264904396539295
Energy: 2.451167315401299
Energy: 2.4748650031972548
Energy: 2.2537502677274017
Energy: 2.462747299775662
Energy: 2.315450963744121
Energy: 2.277499430463911
Energy: 2.4196434575798382
Energy: 2.427767918928059
Energy: 2.339414362833636
Energy: 2.450179258236825
Energy: 2.405658572326634
Energy: 2.368949153919157
Energy: 2.4045630917048126
Energy: 2.4723316995175324
Energy: 2.339970092952934
Energy: 2.511109140838109
Energy: 2.4969220415340927
Energy: 2.25867512445989
Energy: 2.467085745633614
Energy: 2.4485912122627824
Energy: 2.268311112373799
Energy: 2.5047507476558466
Energy: 2.5084026903038517
Energy: 2.2801233062565296
Energy: 2.503957552078469
Energy: 2.257790236841038
Energy: 2.293895156235542
Energy: 2.546328340042205
Energy: 2.624777970672706
Energy: 2.517457235035144
Energy: 2.518068309648202
Energy: 2.543821048384165
Energy: 2.603358859658931
Energy: 2.517570829492602
Energy: 2.5196516077590383
Energy: 2.5193353618097687
Energy: 2.5132763088482375
Energy: 2.4188926276217346
Energy: 2.600839891258263
Energy: 2.5622864247025525
Energy: 2.303881117164921
Energy: 2.5247086862132404
Energy: 2.514703950185296
Energy: 2.4457469193108783
Energy: 2.367920162825985
Energy: 2.2489699573050705
Energy: 2.41653614508435
Energy: 2.4101859678765605
Energy: 2.5025331671518676
Energy: 2.3567631178816404
Energy: 2.3575098821263536
Energy: 2.4342063186429486
Energy: 2.5329677627877762
Energy: 2.5220990298125407
Energy: 2.5584279102307175
Energy: 2.261325976478924
Energy: 2.406560506496024
Energy: 2.558800512407497
Energy: 2.4247391266636877
Energy: 2.259560114797059
Energy: 2.4250140775173255
Energy: 2.5895353941038395
Energy: 2.406360188712298
Energy: 2.6246572870280964
Energy: 2.2852848233690666
Energy: 2.277440705342908
Energy: 2.3629270780217735
Energy: 2.5941745924383737
Energy: 2.281749556527397
Energy: 2.4527157644754656
Energy: 2.50932674852374
Energy: 2.376715722916897
Energy: 2.451059825892626
Energy: 2.5180252507851746
Energy: 2.2972511977033334
Energy: 2.4109435850914296
Energy: 2.471586630527601
Energy: 2.304317328936467
Energy: 2.4841383970270083
Energy: 2.345972969235975
Energy: 2.3241753091573982
Energy: 2.4043977001948647
Energy: 2.500060519738635
Energy: 2.3296167756321777
Energy: 2.472735452764103
Energy: 2.3654867758282303
Energy: 2.4001574724334707
Energy: 2.469143299207237
Energy: 2.51194436923065
Energy: 2.257651994533529
Energy: 2.4767600995334624
Energy: 2.331319922191467
Energy: 2.271949955374268
Energy: 2.4560048225725226
Energy: 2.4262779803573724
Energy: 2.2579096417782565
Energy: 2.424683682450045
Energy: 2.5761862951213077
Energy: 2.433113040725028
Energy: 2.5029719808482733
Energy: 2.4244683954530006
Energy: 2.250850429987568
Energy: 2.4279778831132397
Energy: 2.5598036803118815
Energy: 2.517221998851399
Energy: 2.434168249860955
Energy: 2.5284253990482823
Energy: 2.601160659465974
Energy: 2.56057371549901
Energy: 2.303652997355732
Energy: 2.5145947501103856
Energy: 2.5217564115518423
Energy: 2.572097813532747
Energy: 2.597763779610872
Energy: 2.4342317710932453
Energy: 2.519789170954106
Energy: 2.5472571216195363
Energy: 2.6890940195307844
Energy: 2.3582815499254868
Energy: 2.354666128908925
Energy: 2.514296217691557
Energy: 2.6123945958035026

minimum gb energy = 2.2489699573050705 eV
minimum distance =  2.41312143450896 Angstroms
sigma value = 19


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

Energy: 2.6888293192183106
Energy: 2.354252277398759
Energy: 2.484979541522605
Energy: 2.4532372691612125
Energy: 2.4891559735172333
Energy: 2.2215698408444853
Energy: 2.239595036106903
Energy: 2.538171538502404
Energy: 2.488937007169264
Energy: 2.305447191087953
Energy: 2.5442217849669055
Energy: 2.246619657369923
Energy: 2.358626244912952
Energy: 2.3909727569624266
Energy: 2.474648792919167
Energy: 2.6704160705029754
Energy: 2.2878054112945767
Energy: 2.222004796471845
Energy: 2.289571903677978
Energy: 2.324788091975799
Energy: 2.435454472747065
Energy: 2.231608775281963
Energy: 2.4348581378821472
Energy: 2.325319081765926
Energy: 2.3649745497019734
Energy: 2.4301287147391437
Energy: 2.4110733762593695
Energy: 2.224876637916657
Energy: 2.416125258305213
Energy: 2.4221716692551842
Energy: 2.288876010917708
Energy: 2.3799046759971505
Energy: 2.2190151735194665
Energy: 2.2404918703133756
Energy: 2.418919388715586
Energy: 2.401192019446668
Energy: 2.2207175875806957
Energy: 2.3055580980544814
Energy: 2.3057253660125734
Energy: 2.3551167430406004
Energy: 2.3036324923762277
Energy: 2.3055242515990497
Energy: 2.22037973925955
Energy: 2.4156595221407198
Energy: 2.2889026714661833
Energy: 2.299844966785234
Energy: 2.3859021066240635
Energy: 2.2126609816555893
Energy: 2.2931002022926252
Energy: 2.3788334957410404
Energy: 2.42234898949166
Energy: 2.2851940990796513
Energy: 2.4220405981856667
Energy: 2.3216786705976307
Energy: 2.323145777780645
Energy: 2.4222580256390636
Energy: 2.3250346685955714
Energy: 2.284914735626051
Energy: 2.464065594462793
Energy: 2.435536278021972
Energy: 2.304735983556588
Energy: 2.355418223991521
Energy: 2.344804799062293
Energy: 2.2887687095947573
Energy: 2.47718012323273
Energy: 2.34300350743627
Energy: 2.5596705708221084
Energy: 2.3436475131305206
Energy: 2.5184129204612162
Energy: 2.218204145438048
Energy: 2.395878452278473
Energy: 2.5252910134489417
Energy: 2.474419147454792
Energy: 2.4843166058094943
Energy: 2.2855048914351546
Energy: 2.5465241140026063
Energy: 2.3974236238510525
Energy: 2.4831335252535496
Energy: 2.4965311501244574
Energy: 2.2193352330625404
Energy: 2.5385415977043326
Energy: 2.3112331485547823
Energy: 2.445239333253074
Energy: 2.209428231228464
Energy: 2.352488687062726
Energy: 2.3902185659182043
Energy: 2.212220808431266
Energy: 2.568649017186804
Energy: 2.210104808160934
Energy: 2.200192971392414
Energy: 2.48660313398025
Energy: 2.772794183530306
Energy: 2.220411650626469
Energy: 2.5604116855871526
Energy: 2.500024209810228
Energy: 2.4768406098169025
Energy: 2.3610805745976586
Energy: 2.415219947180934
Energy: 2.498752452957555
Energy: 2.35276668011974
Energy: 2.390201438625866
Energy: 2.2293891904382623
Energy: 2.3067673329769907
Energy: 2.325307563320646
Energy: 2.460249603062224
Energy: 2.352237896401294
Energy: 2.464215477836049
Energy: 2.3250582149394066
Energy: 2.245872296972017
Energy: 2.43106798391015
Energy: 2.4219248676230536
Energy: 2.2857430583022644
Energy: 2.4233043425803538
Energy: 2.503548800408243
Energy: 2.3068377988105104
Energy: 2.43224764682116
Energy: 2.3342573630692396
Energy: 2.2074661817285017
Energy: 2.330029200892362
Energy: 2.408513734166301
Energy: 2.2207803161753366
Energy: 2.3057661841279438
Energy: 2.3618935225056403
Energy: 2.3450986516228216
Energy: 2.3508893656879275
Energy: 2.342807942044847
Energy: 2.2219075597742384
Energy: 2.364950513813535
Energy: 2.3659619846252165
Energy: 2.2684452060962794
Energy: 2.3708599998229514
Energy: 2.399798834837922
Energy: 2.218029677762116
Energy: 2.3241008093834603
Energy: 2.5320376347350844
Energy: 2.3057097805425797
Energy: 2.4244413066684785
Energy: 2.33703222365143
Energy: 2.2247951359538933
Energy: 2.417244472108089
Energy: 2.5050061987178522
Energy: 2.285029139620775
Energy: 2.432504607639759
Energy: 2.335189153618347
Energy: 2.3234369751424158
Energy: 2.4882170335238967
Energy: 2.346151733656842
Energy: 2.2965832635164753
Energy: 2.3247384228815875
Energy: 2.4942668127212726
Energy: 2.3044498573999332
Energy: 2.397813450919567
Energy: 2.388945447656158
Energy: 2.2157396319826383
Energy: 2.3904779374545937
Energy: 2.3443687849436734
Energy: 2.4821896946791027
Energy: 2.3269271495438724
Energy: 2.4442653643783934
Energy: 2.5423852036474583
Energy: 2.397754657445702
Energy: 2.238661157701676
Energy: 2.479743126703049
Energy: 2.4831782760376013
Energy: 2.5131094330121058
Energy: 2.5425920935041555
Energy: 2.397272801673559
Energy: 2.484525868706387
Energy: 2.3522494313634135
Energy: 2.454273132385675
Energy: 2.3423407388934225
Energy: 2.490908743143009
Energy: 2.492510102340193
Energy: 2.604195717221755

minimum gb energy = 2.200192971392414 eV
minimum distance =  2.44498362181532 Angstroms
sigma value = 101


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

Energy: 2.6446452099837225
Energy: 2.160027412178332
Energy: 2.243423181206795
Energy: 2.564141987432398
Energy: 2.5006258086904545
Energy: 2.506531511226268
Energy: 2.168646258412081
Energy: 2.3352444429199997
Energy: 2.3967625956576346
Energy: 2.2722143736973117
Energy: 2.3772589950717453
Energy: 2.3719708270712574
Energy: 2.2265155906035985
Energy: 2.32671757987613
Energy: 2.4741012146619044
Energy: 2.5997281115933704
Energy: 2.2733814127333676
Energy: 2.2672994060341622
Energy: 2.2750784889687155
Energy: 2.200401250597292
Energy: 2.355748473609274
Energy: 2.160888999172192
Energy: 2.385724718999571
Energy: 2.2707365548198135
Energy: 2.3503530659669765
Energy: 2.3753012221993597
Energy: 2.2404602969740846
Energy: 2.1878469201062987
Energy: 2.3856859475237853
Energy: 2.2845329428265004
Energy: 2.2925478127954135
Energy: 2.254547073212853
Energy: 2.164780001756962
Energy: 2.1756396664031565
Energy: 2.284571165328694
Energy: 2.183380734961902
Energy: 2.141172491320651
Energy: 2.265222380685744
Energy: 2.2464198147604995
Energy: 2.3377611324869583
Energy: 2.2471183153469205
Energy: 2.257514663754919
Energy: 2.14222334216632
Energy: 2.3646386026789648
Energy: 2.1252884166710233
Energy: 2.2608293441558427
Energy: 2.3284894498259936
Energy: 2.145737750650552
Energy: 2.139161475987487
Energy: 2.242589401588493
Energy: 2.2497229029970813
Energy: 2.17167772651839
Energy: 2.2450607317382434
Energy: 2.2618552212807503
Energy: 2.248856975280186
Energy: 2.3194461628555727
Energy: 2.3805173824161123
Energy: 2.1603902643398474
Energy: 2.2996686113761626
Energy: 2.1791976450730925
Energy: 2.275896267305299
Energy: 2.374876480645261
Energy: 2.2895939242421726
Energy: 2.164021040635246
Energy: 2.2872097533278004
Energy: 2.3670237272428625
Energy: 2.276141181298217
Energy: 2.4663358864175158
Energy: 2.353192449809146
Energy: 2.1609983880111185
Energy: 2.456884885987089
Energy: 2.270547904094158
Energy: 2.226876716599611
Energy: 2.1935740070482637
Energy: 2.200591896271597
Energy: 2.272527593769977
Energy: 2.326439072349866
Energy: 2.2240352388462687
Energy: 2.273626796591719
Energy: 2.337582981035718
Energy: 2.3549580954405
Energy: 2.2725766677742674
Energy: 2.327119238759819
Energy: 2.381383332429394
Energy: 2.5072178175598157
Energy: 2.223774356763923
Energy: 2.449569818938788
Energy: 2.527515676550191
Energy: 2.158202855108931
Energy: 2.219466814096168
Energy: 2.2798084092350956
Energy: 2.7475443674894025
Energy: 2.397836817847144
Energy: 2.1429596603980676
Energy: 2.161981088005658
Energy: 2.4261149465195704
Energy: 2.516301460717831
Energy: 2.1422543640123273
Energy: 2.246506650807093
Energy: 2.3476393018650046
Energy: 2.393778867338179
Energy: 2.157519445757016
Energy: 2.5114635256316555
Energy: 2.3364690400015986
Energy: 2.3350406771196623
Energy: 2.4095593406882214
Energy: 2.37805892771554
Energy: 2.242478218215173
Energy: 2.336256344769361
Energy: 2.375254799260495
Energy: 2.328853878884685
Energy: 2.139271884721747
Energy: 2.2732888364920396
Energy: 2.1989811536101094
Energy: 2.33617375493301
Energy: 2.3174371598735424
Energy: 2.270038231659223
Energy: 2.271334290438211
Energy: 2.2047928084333077
Energy: 2.3554838359872483
Energy: 2.1329800223692494
Energy: 2.3968170782316616
Energy: 2.3816288581560294
Energy: 2.328156949391689
Energy: 2.37482293709604
Energy: 2.246229608534414
Energy: 2.170007396417078
Energy: 2.306981621121477
Energy: 2.3549981103444955
Energy: 2.2695108917358664
Energy: 2.315626070329068
Energy: 2.2789809975881075
Energy: 2.1697122663684514
Energy: 2.2627894516794242
Energy: 2.258826720850524
Energy: 2.133683184533512
Energy: 2.264295076815285
Energy: 2.2914270047342646
Energy: 2.208600284694659
Energy: 2.3322410596514844
Energy: 2.321059306588946
Energy: 2.1344977001427554
Energy: 2.268486454128285
Energy: 2.2583852914420124
Energy: 2.1690153260750105
Energy: 2.245780764733477
Energy: 2.2620222780858814
Energy: 2.12740927443731
Energy: 2.273005949617366
Energy: 2.327356169303178
Energy: 2.1694057793169583
Energy: 2.3347766490082975
Energy: 2.3019138262424605
Energy: 2.2458342131788944
Energy: 2.306614174204468
Energy: 2.2911005511042526
Energy: 2.1641201319057384
Energy: 2.2903535156581336
Energy: 2.392644159020337
Energy: 2.2690114388336484
Energy: 2.293312597852032
Energy: 2.303953260810228
Energy: 2.1692597778453173
Energy: 2.3842552443203275
Energy: 2.434024654617155
Energy: 2.270558733388191
Energy: 2.3743880519435643
Energy: 2.351886864852054
Energy: 2.2745962307750602
Energy: 2.335237054382471
Energy: 2.2709927407058506
Energy: 2.2280012337210606
Energy: 2.242618109665518
Energy: 2.356217214157713
Energy: 2.2743441969567257
Energy: 2.194703099748028
Energy: 2.4358202756797764
Energy: 2.139888219039476
Energy: 2.3789786798854955
Energy: 2.331851834243664
Energy: 2.5188613755777083
Energy: 2.3807305984509943
Energy: 2.2159692003797504
Energy: 2.5321998302479574
Energy: 2.189202396928972
Energy: 2.242388497600519
Energy: 2.438946747136218
Energy: 2.332396944378827
Energy: 2.2240409675105846
Energy: 2.5075579119788336
Energy: 2.2249510286140657
Energy: 2.4563126958391996
Energy: 2.33677454428688
Energy: 2.376605334698899
Energy: 2.3293957235885627
Energy: 2.419956184385377
Energy: 2.439145314655406
Energy: 2.514987224566123

minimum gb energy = 2.1252884166710233 eV
minimum distance =  2.45886804628389 Angstroms
sigma value = 33


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

Energy: 0.019631908054571382
Energy: 0.460811354052958
Energy: 0.470993914875158
Energy: 1.277553628393298
Energy: 0.4181115617016387
Energy: 0.020180143298212817
Energy: 0.12383448883488773
Energy: 0.12274489100540002
Energy: 0.12322419881258515
Energy: 0.12482327155835027
Energy: 0.2654732455311895
Energy: 0.123344989354513
Energy: 1.2656989455865464
Energy: 0.49729620130977065
Energy: 0.303076300042251
Energy: 0.01999532595577475
Energy: 0.5032130779023432
Energy: 0.41800278965357723
Energy: 0.020218475143386472
Energy: 0.12274489099909336
Energy: 0.12322419881199997
Energy: 0.12482327155948807
Energy: 0.26547324552433027
Energy: 0.12334498935392783

minimum gb energy = 0.019631908054571382 eV
minimum distance =  2.69588264825844 Angstroms
sigma value = 1