Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6473073810338983
cohesive_energy=4.1514735882010125
mass=55.845
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=[0.0, 0.0, 0.0, 2.7774533038707e-21, 1.0382729437207259e-19, 2.5036413171201e-19, 3.75348328753716e-19, 4.6550441012553e-19, 5.233237604933219e-19, 5.542970391818099e-19, 5.7220937394993e-19, 5.88013244267706e-19, 6.019201374508259e-19, 6.14103088575762e-19, 6.24709497892842e-19, 6.3386113082624995e-19, 6.41666935387098e-19, 6.48215031290256e-19, 6.535903338973259e-19, 6.578617368035699e-19, 6.610933270743479e-19, 6.633427830684839e-19, 6.646581700849979e-19, 6.6508755342291e-19, 6.646245243756839e-19, 6.631280913995279e-19, 6.60407595474996e-19, 6.562419362265959e-19, 6.503587436265479e-19, 6.424359801714179e-19, 6.3208271476251e-19, 6.188231009395259e-19, 6.02077150760958e-19, 5.81002119317322e-19, 5.52515418764802e-19, 5.1395583371432395e-19, 4.64419736544312e-19, 4.0325824571799595e-19, 3.29577346673604e-19, 2.416082364072e-19, 1.3621064871614399e-19, 8.601493542591419e-21, -1.477492043988852e-19, -3.4521298844481e-19, -5.99861340476136e-19, -9.32925023505324e-19, -1.436897694613194e-18, -2.21840581096908e-18, -3.24051439462938e-18, -4.576777772684399e-18, -6.56919656942778e-18, -9.898103048954939e-18, -1.577701783739016e-17, -2.7572819000486398e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015728062057606115
Energy: 0.01633304088863612
Energy: 0.01644280862949501
Energy: 0.015999192924323773
Energy: 0.85190401379984
Energy: 0.016158031051277905
Energy: 0.0163330408898342
Energy: 0.1284490298466809
Energy: 0.12839763179448288
Energy: 0.12874976779944206
Energy: 0.12832975140745825
Energy: 0.12985040078678695
Energy: 0.01644280862860501
Energy: 0.12839763179506478
Energy: 0.12970390095026435
Energy: 0.01620184801097931
Energy: 0.1284130369474505
Energy: 0.1292440694164192
Energy: 0.015999192924905696
Energy: 0.128749767799134
Energy: 0.01620184801217739
Energy: 0.016152361492406432
Energy: 0.12866843275868853
Energy: 0.01618777778770225
Energy: 0.8519040138028524
Energy: 0.1283297514062602
Energy: 0.12841303694772432
Energy: 0.1286684327589966
Energy: 0.1284957207008831
Energy: 0.12844729451143294
Energy: 0.01615803105189406
Energy: 0.12985040078678695
Energy: 0.12924406941703537
Energy: 0.016187777787394175
Energy: 0.12844729451115908
Energy: 0.016192058312434296

minimum gb energy = 0.015728062057606115 eV
minimum distance =  2.57595870642605 Angstroms
sigma value = 1


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

Energy: 1.8844386263983959
Energy: 2.1269905366531727
Energy: 1.2571378479445976
Energy: 1.524688429414238
Energy: 1.0948319010961285
Energy: 1.202122318380036
Energy: 1.8668997225114115
Energy: 1.1379792576432282
Energy: 1.0911329896373512
Energy: 1.1507203108996065
Energy: 1.1456126165135363
Energy: 1.0634417994296779
Energy: 1.9973206402454442
Energy: 1.1150433041450591
Energy: 1.0648915159380115
Energy: 1.1625526823433807
Energy: 1.1584056954838526
Energy: 1.0892699007120075
Energy: 1.9746900928097888
Energy: 1.177130865827811
Energy: 1.1337908603034672
Energy: 1.1725257035684102
Energy: 1.0861676192927028
Energy: 1.1923294358206433
Energy: 1.8397316761731093
Energy: 1.1187606299228006
Energy: 1.1114940751066718
Energy: 1.1483754223073024
Energy: 1.1244130259181195
Energy: 1.1093614274606058
Energy: 1.6854421045826973
Energy: 1.1508892477537433
Energy: 1.0424725325421524
Energy: 1.0661043723647725
Energy: 1.1643655434261655
Energy: 1.0667609956844786
Energy: 1.695648895726169
Energy: 1.016894471341655
Energy: 1.020388887422792
Energy: 1.0957462488975862
Energy: 1.0466920298754434
Energy: 1.0856335636966685
Energy: 1.799904498166551
Energy: 1.1438666885797317
Energy: 1.1282785548171321
Energy: 1.113683348787851
Energy: 1.1263513137025185
Energy: 1.0546613136022012
Energy: 1.2763340151097868
Energy: 1.0746235997226026
Energy: 1.0225975447360303
Energy: 1.0912810248642422
Energy: 1.081941698417325
Energy: 1.0182352386862645
Energy: 1.3636452701126467
Energy: 1.1484867565245873
Energy: 1.1305681423097107
Energy: 1.1197151643144436
Energy: 1.1512015205168338
Energy: 1.1369622788826683
Energy: 1.3861163245106782
Energy: 1.0790836675430473
Energy: 1.0853733172719935
Energy: 1.3788050938455776
Energy: 1.5236307477077085
Energy: 1.176306637363209
Energy: 1.1430970484702567
Energy: 1.1437814224709002
Energy: 1.1388076260457909
Energy: 1.1392660421600758
Energy: 1.182043501544044
Energy: 1.1526912362295108
Energy: 1.1227052512033586
Energy: 1.1311091836102811
Energy: 1.1333340362822095
Energy: 1.1222529104772432
Energy: 1.1481508743156088
Energy: 1.1336497745603002
Energy: 1.3367224570561276
Energy: 1.1031088765323747
Energy: 1.1667344358342249
Energy: 1.3358056156397975
Energy: 1.4527322872700923
Energy: 1.1714381056147678
Energy: 1.1914778314084964
Energy: 1.1342421505743203
Energy: 1.1065822935332688
Energy: 1.1316058564404083
Energy: 1.1341441157771452
Energy: 1.130838837051449
Energy: 1.1838506040990857
Energy: 1.1168547739623869
Energy: 1.07206644792516
Energy: 1.1224902474692664
Energy: 1.1286970953379247
Energy: 1.0910112199840294
Energy: 1.7063515949944756
Energy: 1.1570201583780446
Energy: 1.1203329415658614
Energy: 1.0398507045570102
Energy: 1.0882992481195395
Energy: 1.0578234321389384
Energy: 1.469708706190032
Energy: 1.0527629240504905
Energy: 1.0865533198837776
Energy: 1.147291365051431
Energy: 1.0790284126324403
Energy: 1.093260908145102
Energy: 1.4745918835088627
Energy: 1.1107843031009714
Energy: 1.0608347389692903
Energy: 1.1256113944248325
Energy: 1.1273167935443347
Energy: 1.0920639299658834
Energy: 1.8699733045198172
Energy: 1.083383250435937
Energy: 1.0569368527846308
Energy: 1.1155245155583235
Energy: 1.1395920878647774
Energy: 1.0809127477335922
Energy: 1.841081832235513
Energy: 1.2309962878295284
Energy: 1.143914487416619
Energy: 1.0831791465248146
Energy: 1.216973480163612
Energy: 1.0715186133787689
Energy: 1.85513133561554
Energy: 1.1040613019628431
Energy: 1.0208690560057778
Energy: 1.0871377892154148
Energy: 1.1892416205149166
Energy: 1.1162267949921412
Energy: 1.8673941083107772
Energy: 1.1135868109402534
Energy: 1.1410496180373426
Energy: 1.0987252171951407
Energy: 1.1443813015863498
Energy: 1.1101015454497323

minimum gb energy = 1.016894471341655 eV
minimum distance =  2.35209705959173 Angstroms
sigma value = 33


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

Energy: 2.140570099618529
Energy: 1.7346306910991247
Energy: 1.6552043939766856
Energy: 1.658440883395553
Energy: 1.6980189254937559
Energy: 1.7432365681895499
Energy: 1.9827809989421983
Energy: 1.0676103767082288
Energy: 1.1136828230016225
Energy: 1.134904815464108
Energy: 1.067696763282826
Energy: 1.0594175317825798
Energy: 1.8913411004096397
Energy: 1.2135932953950757
Energy: 1.0961430884236902
Energy: 1.2144016260384374
Energy: 1.1215345887046435
Energy: 1.2250355808142348
Energy: 1.7883342263276356
Energy: 1.2851404831559492
Energy: 1.1730887643824381
Energy: 1.2576607517325429
Energy: 1.2655473464712725
Energy: 1.2695444215186122
Energy: 1.9139028295625626
Energy: 1.2085174540736148
Energy: 1.1397625456613527
Energy: 1.1482433628214654
Energy: 1.2598472447630429
Energy: 1.1884514600444087
Energy: 1.753779330050303
Energy: 1.1925673151854992
Energy: 1.1979403589652289
Energy: 1.3121445541013301
Energy: 1.2012638340916137
Energy: 1.2491140553598994
Energy: 1.7459307363716556
Energy: 1.1896855238801307
Energy: 1.1744557566909803
Energy: 1.3105860615017537
Energy: 1.2124532031254174
Energy: 1.1638388004689544
Energy: 1.6642566708584536
Energy: 1.174957235904429
Energy: 1.1754552997990855
Energy: 1.305055391882725
Energy: 1.1836472742778703
Energy: 1.1512660180332088
Energy: 1.3433944799820874
Energy: 1.1772973677656218
Energy: 1.182786716765678
Energy: 1.2129509285369968
Energy: 1.17525242046442
Energy: 1.1745775812409256
Energy: 1.3345275795960547
Energy: 1.20301869346568
Energy: 1.2034322213547621
Energy: 1.1934089842665745
Energy: 1.1972784757823556
Energy: 1.206381777845794
Energy: 1.7408732490294354
Energy: 1.1262655924323577
Energy: 1.1674572130763399
Energy: 1.6438816426040976
Energy: 1.656229088569476
Energy: 1.1669007344583309
Energy: 1.2430388209720356
Energy: 1.0775899225118446
Energy: 1.2073011307979744
Energy: 1.1720119955220094
Energy: 1.098195070804814
Energy: 1.2068352794801445
Energy: 1.2171806740708673
Energy: 1.2059654305342342
Energy: 1.1892075295414002
Energy: 1.2131795806231975
Energy: 1.2246805543956065
Energy: 1.212818217684703
Energy: 1.5425454341016356
Energy: 1.3266895583025593
Energy: 1.3140740961569408
Energy: 1.2543630591635297
Energy: 1.3229838259038398
Energy: 1.4242492380609297
Energy: 1.35665273355315
Energy: 1.147615393759756
Energy: 1.1975843412683607
Energy: 1.2297841730002206
Energy: 1.2012870144358105
Energy: 1.195435480869712
Energy: 1.489192580648703
Energy: 1.2412791548670437
Energy: 1.2246666357234604
Energy: 1.386900220182014
Energy: 1.2828979534119787
Energy: 1.2313308843346689
Energy: 1.8836651396465454
Energy: 1.2389899246391292
Energy: 1.2334382243997026
Energy: 1.2827369508816433
Energy: 1.2600718158280162
Energy: 1.2804475077021522
Energy: 1.4756789643435198
Energy: 1.2339634902450831
Energy: 1.2051394907967783
Energy: 1.1783229365712122
Energy: 1.2358526110019261
Energy: 1.16873744737123
Energy: 1.4740718563048913
Energy: 1.2025561010584063
Energy: 1.1845209147916138
Energy: 1.1736398059093058
Energy: 1.2002462968096785
Energy: 1.204407034290459
Energy: 1.9277030280038148
Energy: 1.1850753319423448
Energy: 1.144487084164365
Energy: 1.3522145270058565
Energy: 1.1921004868461027
Energy: 1.2070771291754632
Energy: 2.028559788611118
Energy: 1.3646055178119312
Energy: 1.182333423887069
Energy: 1.2396181558644728
Energy: 1.5067987383590875
Energy: 1.2393909363373112
Energy: 1.9289291106773263
Energy: 1.172869162719625
Energy: 1.14300612671606
Energy: 1.210998708226993
Energy: 1.2083668159534549
Energy: 1.23519437818976
Energy: 1.8601109902553246
Energy: 1.2166417794636673
Energy: 1.2116284733951612
Energy: 1.227491371324707
Energy: 1.214678152344933
Energy: 1.18229972314439
Energy: 1.8098266420664817
Energy: 1.3212755570841115
Energy: 1.3347681578242054
Energy: 1.3267954759691647
Energy: 1.3264833267655851
Energy: 1.3240623275954138
Energy: 1.870237227735075
Energy: 1.210117375238699
Energy: 1.2103262980852647
Energy: 1.2061031984937145
Energy: 1.2111417553111843
Energy: 1.197646578407944
Energy: 1.7565549497467297
Energy: 1.19884230893858
Energy: 1.1624071482384908
Energy: 1.2829249116547983
Energy: 1.209834872721271
Energy: 1.165894564282528
Energy: 1.7978227395159148
Energy: 1.2657069363852465
Energy: 1.2745412199664174
Energy: 1.3105021630754015
Energy: 1.2910523540903676
Energy: 1.2196723797756444
Energy: 1.7367818429377135
Energy: 1.1801994272130703
Energy: 1.1685697050694777
Energy: 1.3634503036847438
Energy: 1.178845954769825
Energy: 1.1532631052431734
Energy: 1.3429255780555391
Energy: 1.174227503606082
Energy: 1.1884480706289338
Energy: 1.2007830056496243
Energy: 1.1776221834032359
Energy: 1.19341939845031
Energy: 1.3398143155602884
Energy: 1.2054809031858678
Energy: 1.1720753250822287
Energy: 1.1956444256346255
Energy: 1.2240942629019531
Energy: 1.1752803044229336
Energy: 1.6437355006696346
Energy: 1.1668149907425291
Energy: 1.239540022130395
Energy: 1.261326909335951
Energy: 1.2401031527831594
Energy: 1.239165072890188
Energy: 1.2712565042345185
Energy: 1.0957500804651212
Energy: 1.0956525560630266
Energy: 1.2484299361922648
Energy: 1.1379610493037093
Energy: 1.2479236979825858
Energy: 1.2248780541640558
Energy: 1.1829418530851674
Energy: 1.1831930145187157
Energy: 1.2217625128132004
Energy: 1.2270412670222774
Energy: 1.1860365082939157
Energy: 1.2204826813735152
Energy: 1.3262853323979054
Energy: 1.3235991685743198
Energy: 1.220779736067804
Energy: 1.3258436118322356
Energy: 1.4674896970431481
Energy: 1.4122856787493094
Energy: 1.1966498435541175
Energy: 1.2282765407560277
Energy: 1.2165433001620485
Energy: 1.2150748035814767
Energy: 1.2057686447990834
Energy: 1.3871783274926714
Energy: 1.1413934623545237
Energy: 1.2685993879458728
Energy: 1.2088241000871598
Energy: 1.1829147643306424
Energy: 1.17755564200534
Energy: 1.388441314906057
Energy: 1.2462319502669825
Energy: 1.1752904290779251
Energy: 1.12292398316865
Energy: 1.265422373670449
Energy: 1.2399916830631819
Energy: 1.485688826263926
Energy: 1.2141544282127241
Energy: 1.1166834776296608
Energy: 1.1737260930380171
Energy: 1.2423026729478353
Energy: 1.2110328870049798
Energy: 1.4745491739851948
Energy: 1.212974236998106
Energy: 1.0984626047589354
Energy: 1.1883218289745003
Energy: 1.124936785278508
Energy: 1.1827414796971465
Energy: 1.8551339685357833
Energy: 1.1141520986338658
Energy: 1.0659140453355065
Energy: 1.1423753738900269
Energy: 1.1235832035188116
Energy: 1.18255231681487
Energy: 2.095323593902448
Energy: 1.1083184924747533
Energy: 1.182518947718611
Energy: 1.2401959794009692
Energy: 1.1097473157883115
Energy: 1.1922533784580562

minimum gb energy = 1.0594175317825798 eV
minimum distance =  2.32041562335053 Angstroms
sigma value = 51


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

Energy: 1.9508544173328783
Energy: 1.3595679853376632
Energy: 2.0518102388716066
Energy: 1.561921235169576
Energy: 1.1785641159543518
Energy: 1.3181833078514726
Energy: 2.0244081371922267
Energy: 1.1582475353495782
Energy: 1.2117362817107267
Energy: 1.1394443617083014
Energy: 1.1578912431997905
Energy: 1.1077869846609727
Energy: 1.8329724437037367
Energy: 1.123486026856022
Energy: 1.1284066717752765
Energy: 1.0636669927280453
Energy: 1.121683117917229
Energy: 1.132506426977744
Energy: 1.7474685649948258
Energy: 1.2644772072028083
Energy: 1.2153376215747052
Energy: 1.2835088862137665
Energy: 1.3779885649010302
Energy: 1.236281817173416
Energy: 1.7901982396313956
Energy: 1.1257445506596622
Energy: 1.1463533846037774
Energy: 1.2664081056373326
Energy: 1.136246575276453
Energy: 1.0635183862266777
Energy: 1.4081496040612442
Energy: 1.1194712240821318
Energy: 1.1919699102586079
Energy: 1.1455742788413519
Energy: 1.1449873091582565
Energy: 1.191261435025486
Energy: 1.4133112592946777
Energy: 1.129572467818599
Energy: 1.1116071950800264
Energy: 1.1685771095433117
Energy: 1.2190218078920503
Energy: 1.1229415268967986
Energy: 1.6789031641475098
Energy: 1.2235992883462141
Energy: 1.2208993958936354
Energy: 1.4563457222146945
Energy: 1.232617760978007
Energy: 1.2579322059250688
Energy: 1.2171773782155453
Energy: 1.1354503197856638
Energy: 1.1383547516761656
Energy: 1.2171500981498384
Energy: 1.1363940059581754
Energy: 1.1141322428703049
Energy: 1.151387557701007
Energy: 1.136450164675197
Energy: 1.1229836751179636
Energy: 1.1251790819691259
Energy: 1.1912879911761858
Energy: 1.096099487421819
Energy: 1.174228943653943
Energy: 1.3463032010433347
Energy: 1.1537526603939714
Energy: 1.1772574565981884
Energy: 1.2079428767662572
Energy: 1.1777293140624268
Energy: 1.2564593389829914
Energy: 1.1235944717845157
Energy: 1.123000332862961
Energy: 1.1129505082532936
Energy: 1.0883386422422163
Energy: 1.09527405579123
Energy: 1.280780465903051
Energy: 1.1715434514411196
Energy: 1.204122326754935
Energy: 1.1477572268047107
Energy: 1.1712910116504498
Energy: 1.154620503397249
Energy: 1.3601743288339527
Energy: 1.1622382661159885
Energy: 1.1722572862306229
Energy: 1.3145390425225523
Energy: 1.2485282434340599
Energy: 1.1883016882559228
Energy: 1.5372274002326667
Energy: 1.145325497173916
Energy: 1.1451609914459733
Energy: 1.1556899360024906
Energy: 1.2385077069460044
Energy: 1.1450174954824266
Energy: 1.5532110744209433
Energy: 1.1597918876694278
Energy: 1.2273126511269858
Energy: 1.206850359536319
Energy: 1.101885314796302
Energy: 1.2430686384600205
Energy: 1.8287347214351168
Energy: 1.0961969750448741
Energy: 1.132968464602834
Energy: 1.1710763860362297
Energy: 1.1335988459788777
Energy: 1.1580437602630012
Energy: 1.9140979819396151
Energy: 1.154344441076025
Energy: 1.0753333364368827
Energy: 1.2267428384806232
Energy: 1.1504780601940996
Energy: 1.074668087367158

minimum gb energy = 1.0635183862266777 eV
minimum distance =  2.34967246844634 Angstroms
sigma value = 19


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

Energy: 1.693358191247541
Energy: 1.323802653025717
Energy: 1.3273006135468903
Energy: 1.3291204417671285
Energy: 1.9727259210001606
Energy: 1.3290649408853052
Energy: 1.6191059587929046
Energy: 1.0833610244883465
Energy: 1.1281566363282243
Energy: 1.170167727988735
Energy: 1.0428373190447977
Energy: 1.1129608330283964
Energy: 1.7573888580642585
Energy: 1.0951857420371596
Energy: 1.0959492190237439
Energy: 1.170189588465296
Energy: 1.0552933826263533
Energy: 1.0953645615451502
Energy: 1.3506625455927495
Energy: 1.1078224999934532
Energy: 1.1080204446599864
Energy: 1.1826803194536857
Energy: 1.1081532918376966
Energy: 1.107920496563707
Energy: 1.7562952858627952
Energy: 1.0955087967141417
Energy: 1.1216774773380662
Energy: 1.171169644774837
Energy: 1.0958249783489185
Energy: 1.1229904854421262
Energy: 1.3318207446654042
Energy: 1.0459732366467278
Energy: 1.147427397461107
Energy: 1.1448008308432025
Energy: 1.0011417672318046
Energy: 1.1733182266206592
Energy: 1.332942850905948
Energy: 1.1248745337298014
Energy: 1.144677528279732
Energy: 1.1166240469192026
Energy: 1.102217629410238
Energy: 1.1618850295039531
Energy: 1.4137627256359333
Energy: 1.1873209614667748
Energy: 1.202629587154162
Energy: 1.4154667582393041
Energy: 1.201097097687572
Energy: 1.2025772802435297
Energy: 1.0430237494623298
Energy: 1.152752202408395
Energy: 1.1668829229823636
Energy: 1.0429986046278161
Energy: 1.187762545656091
Energy: 1.1304071553275992
Energy: 1.0554695298872532
Energy: 1.1218837962662151
Energy: 1.1278563907024808
Energy: 1.0555893669142618
Energy: 1.1084268840955438
Energy: 1.128647683291885
Energy: 1.0430750431089393
Energy: 1.1831858003360467
Energy: 1.2104803791019814
Energy: 1.045686026706122
Energy: 1.1829280228418684
Energy: 1.108250574138025
Energy: 1.454924089461537
Energy: 1.1216915588536813
Energy: 1.1084246866222425
Energy: 1.096029838300413
Energy: 1.170170761316356
Energy: 1.0955804097636677
Energy: 1.0011903642788553
Energy: 1.2811350599794487
Energy: 1.2799926872790406
Energy: 1.0016486858106783
Energy: 1.2820039735567788
Energy: 1.236054778879427
Energy: 1.5967067827734318
Energy: 1.2323858589045469
Energy: 1.2307574440925075
Energy: 1.2358017429269958
Energy: 1.2063798650071293
Energy: 1.231797034526483
Energy: 1.6187874883448485
Energy: 1.1223158541187
Energy: 1.1222005490931501
Energy: 1.2014628158853344
Energy: 1.0962444381985763
Energy: 1.1514436154623018
Energy: 1.6195421533711423
Energy: 1.2724612676181657
Energy: 1.2521962985024768
Energy: 1.201086077387884
Energy: 1.2390895978267493
Energy: 1.1736273441364664
Energy: 1.7506948602853174
Energy: 1.095737437670488
Energy: 1.128755037561154
Energy: 1.1698827846275763
Energy: 1.0551194487757054
Energy: 1.1282519023326278
Energy: 1.3489866812218745
Energy: 1.1079249535260436
Energy: 1.0956311917572403
Energy: 1.1823649283807551
Energy: 1.0424652384183248
Energy: 1.0950856837545
Energy: 1.3496555149491782
Energy: 1.0955247019381178
Energy: 1.0959581802127791
Energy: 1.1170040659602127
Energy: 1.0646487033985907
Energy: 1.0956503447751296
Energy: 1.5691827413229242
Energy: 1.0016699173500059
Energy: 1.1547011456756746
Energy: 1.1743906566560494
Energy: 1.0009744854647435
Energy: 1.131652475303532
Energy: 1.359946332686981
Energy: 1.2150066560086505
Energy: 1.2360844743763704
Energy: 1.2089191545808176
Energy: 1.084595862889058
Energy: 1.2346844241829749
Energy: 1.3318336557774333
Energy: 1.108557287830647
Energy: 1.1084864816003182
Energy: 1.0960087350324594
Energy: 1.1086295429561321
Energy: 1.1223536286821396
Energy: 1.2949856773803934
Energy: 1.3245249487439739
Energy: 1.3245626697576065
Energy: 1.172587128014161
Energy: 1.3244673596915264
Energy: 1.3279780550090081
Energy: 1.0426962770131767
Energy: 1.1679754555356052
Energy: 1.112061785963349
Energy: 1.0426971469091249
Energy: 1.1380921508996988
Energy: 1.1199497913487437
Energy: 1.0434609495456042
Energy: 1.10870447002396
Energy: 1.0951525532341846
Energy: 1.0430787204954481
Energy: 1.1085793682366676
Energy: 1.0953973901084244
Energy: 1.3240202310588232
Energy: 1.1560209462862652
Energy: 1.1866603116433851
Energy: 1.1096564187179292
Energy: 1.1557357085985644
Energy: 1.1081125977778412
Energy: 1.454483571757481
Energy: 1.1220562796872697
Energy: 1.122522477867439
Energy: 1.0965289280568122
Energy: 1.1327439021159966
Energy: 1.1220736459566012
Energy: 1.0010270083923114
Energy: 1.161315023872065
Energy: 1.1606327781287142
Energy: 1.0010736106542013
Energy: 1.1450323585071875
Energy: 1.1742058400096669
Energy: 1.6645499155763381
Energy: 1.1617226847032427
Energy: 1.1610694122761167
Energy: 1.1024380583345443
Energy: 1.1169870898056906
Energy: 1.174720738266319
Energy: 1.6190949310065934
Energy: 1.2503538214288454
Energy: 1.2026088438617153
Energy: 1.2046115554779528
Energy: 1.311716284901437
Energy: 1.2024314504580964

minimum gb energy = 1.0009744854647435 eV
minimum distance =  2.36055375637998 Angstroms
sigma value = 27


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

Energy: 1.4288572239586634
Energy: 1.8954378812421289
Energy: 1.8962094364942472
Energy: 1.1280605091099336
Energy: 1.396798427042408
Energy: 1.9304780418075105
Energy: 1.9481934856718979
Energy: 1.1390416706607045
Energy: 1.1302591930683412
Energy: 1.1521890641414727
Energy: 1.0984878691743332
Energy: 1.1226452295894522
Energy: 1.8615373028423086
Energy: 1.2261273182755337
Energy: 1.2271109115888872
Energy: 1.192990220407399
Energy: 1.2105310845287456
Energy: 1.2550933921870164
Energy: 1.6441269905912304
Energy: 1.2955746894087519
Energy: 1.2787960786130748
Energy: 1.2617379372759974
Energy: 1.3025062550264497
Energy: 1.271733563129111
Energy: 1.737262988890223
Energy: 1.108089840861202
Energy: 1.023088965550637
Energy: 1.0894031561858946
Energy: 1.1247250223074592
Energy: 1.0844021348345227
Energy: 1.2120348365807334
Energy: 1.0751816707381903
Energy: 1.0888844383403236
Energy: 1.2121317877230835
Energy: 1.124467937367185
Energy: 1.0832836020944845
Energy: 1.1741165901117459
Energy: 1.0386944745451328
Energy: 0.9975747919271976
Energy: 1.174816373851279
Energy: 1.0384104864878445
Energy: 1.1327679289588197
Energy: 1.275936062636448
Energy: 1.2287072540759478
Energy: 1.2604025261531313
Energy: 1.29430034987312
Energy: 1.2741869922433775
Energy: 1.2531030947906245
Energy: 1.4052172654151032
Energy: 1.2589842453610225
Energy: 1.0408784701393239
Energy: 1.141308900904062
Energy: 1.2588681212007415
Energy: 1.0979099225744282
Energy: 1.2143261056413122
Energy: 1.0741704237824994
Energy: 1.1310759506236208
Energy: 1.1070089824859874
Energy: 1.1313045313332701
Energy: 1.080091575123877
Energy: 1.4194390067109965
Energy: 1.093780938102996
Energy: 1.1144957019137254
Energy: 1.1638380104578028
Energy: 1.1503748579978617
Energy: 1.130659735825254
Energy: 1.7293269468685573
Energy: 1.1057032529857997
Energy: 1.094999452858327
Energy: 1.0253898464349158
Energy: 1.0690790490831177
Energy: 1.0572306235806623

minimum gb energy = 0.9975747919271976 eV
minimum distance =  2.35921821175182 Angstroms
sigma value = 9


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

Energy: 2.2376846193980473
Energy: 1.3510981142613188
Energy: 1.2277096734950281
Energy: 1.8572665938408532
Energy: 1.9707838250945853
Energy: 1.2907414177039351
Energy: 1.4663219150354043
Energy: 1.0773616694198356
Energy: 1.0285532435755484
Energy: 1.0139624258181632
Energy: 1.1065889869518988
Energy: 1.0895904780674401
Energy: 1.4002396366874819
Energy: 1.0754288123853233
Energy: 1.0517558267029403
Energy: 1.0865975955462845
Energy: 1.052849912942862
Energy: 1.0305691315766905
Energy: 1.4179155519431632
Energy: 1.0571387800515606
Energy: 1.0598200891135974
Energy: 1.1398146963707927
Energy: 1.1958484018165998
Energy: 1.0592665691840535
Energy: 1.3811010177767113
Energy: 1.0898096293173847
Energy: 1.1460143862161358
Energy: 1.2071288193337852
Energy: 1.1274529188910687
Energy: 1.1707958904079214
Energy: 1.1475116645487995
Energy: 1.177748356477897
Energy: 1.2187386876269437
Energy: 1.147836449099179
Energy: 1.2129600322371332
Energy: 1.2040144580343042
Energy: 1.0154444423732942
Energy: 0.8968878629480049
Energy: 0.9715075732217748
Energy: 1.010080299594851
Energy: 0.9109948438524151
Energy: 0.9680257770464292
Energy: 1.1138443254983361
Energy: 1.0806675908461043
Energy: 1.1576317787914319
Energy: 1.11356624510386
Energy: 1.1104716112140107
Energy: 1.1893971951912103
Energy: 1.370889665925644
Energy: 1.0412674752948736
Energy: 1.05892916272308
Energy: 1.1362171976469047
Energy: 1.04584583852472
Energy: 1.1118402474280202
Energy: 1.6596551810314621
Energy: 1.1942259508397655
Energy: 1.1939603999186772
Energy: 1.2103884685489508
Energy: 1.2589099524142495
Energy: 1.1779917472924606
Energy: 1.6174690421942062
Energy: 1.121360357445164
Energy: 1.0478830928419567
Energy: 1.1607686215373487
Energy: 1.1133286480386582
Energy: 1.014104691596908
Energy: 1.582058893911129
Energy: 1.0650428926569127
Energy: 1.0577761488243569
Energy: 0.9773419141241211
Energy: 1.0564611045940802
Energy: 1.037687663048019
Energy: 1.9551640066425802
Energy: 1.5539785106744333
Energy: 1.6449520459100067
Energy: 1.3541444674501049
Energy: 1.2389883911833506
Energy: 1.3406513377774627
Energy: 1.3632235497395206
Energy: 1.1221947236377103
Energy: 1.0610693952017087
Energy: 0.9441532883885643
Energy: 1.1235611558927128
Energy: 1.0646071074750898
Energy: 1.292545919627412
Energy: 0.9970162245314018
Energy: 0.9864142211412951
Energy: 1.259181168514705
Energy: 1.03825803710327
Energy: 1.173773487058243
Energy: 1.0252682758565004
Energy: 0.9437446082457092
Energy: 0.9634939704320402
Energy: 0.9842694214970414
Energy: 0.9440482330510831
Energy: 0.9811758596120823
Energy: 1.0242497193128923
Energy: 1.0817087252526634
Energy: 1.1168717733042253
Energy: 1.0217345637746276
Energy: 1.1112514597242313
Energy: 1.0852993309950403
Energy: 1.3678504199851047
Energy: 1.1662638594223746
Energy: 1.268141828291469
Energy: 1.2938258539382888
Energy: 1.1628725925239776
Energy: 1.2525050278046346
Energy: 1.1685479248964492
Energy: 1.0552389419167483
Energy: 0.967093122776453
Energy: 1.0229682967365132
Energy: 0.9373550840483258
Energy: 0.9698076029111994
Energy: 1.151089209343155
Energy: 0.9597828983847791
Energy: 0.9533352477423783
Energy: 0.9971820869063653
Energy: 0.9787186099908218
Energy: 0.9576117695802383
Energy: 1.3694527825869935
Energy: 0.9946031247340024
Energy: 0.9778389561694715
Energy: 0.9910633677155647
Energy: 0.9776794971148118
Energy: 0.9583346438752512
Energy: 2.1904987997820298
Energy: 1.3067771345397496
Energy: 1.305591903878265
Energy: 1.1033278465041965
Energy: 1.3946587137673099
Energy: 1.1897864663650655
Energy: 1.8556803946150047
Energy: 1.0547755816383626
Energy: 1.0562651375627856
Energy: 1.1179121307860604
Energy: 1.0588253441449593
Energy: 1.094877279924512
Energy: 1.4529940647965733
Energy: 1.0042933594491898
Energy: 0.9978392719460798
Energy: 1.0520747897963152
Energy: 0.9849590841903754
Energy: 1.0039556857405412
Energy: 1.4253956855112122
Energy: 1.2313214822861014
Energy: 1.2043935654693896
Energy: 1.2731282662098622
Energy: 1.1201868006875695
Energy: 1.2057012903318662
Energy: 1.3335680781335006
Energy: 0.9324950485929235
Energy: 0.9952038231766336
Energy: 1.0457672167142793
Energy: 0.9411514631138933
Energy: 0.9837302728451902
Energy: 1.788157526410614
Energy: 1.1969113324467018
Energy: 1.2831876311799866
Energy: 1.7871733021894558
Energy: 1.451827192337473
Energy: 1.2184069126002137
Energy: 1.1459901908948293
Energy: 0.9933435776090108
Energy: 0.9762889609853794
Energy: 1.1217295871573185
Energy: 0.9590452128732182
Energy: 0.9465383983361367
Energy: 1.0947993604543966
Energy: 1.06859061358339
Energy: 1.0696537944080085
Energy: 1.0564195912248866
Energy: 1.137271057625904
Energy: 1.0618058083391186
Energy: 1.3914738310998789
Energy: 1.076176281576493
Energy: 1.1672760372141415
Energy: 1.3661838778587547
Energy: 1.1399090000398522
Energy: 1.1933338172826136
Energy: 1.6182680341130442
Energy: 1.014205817165632
Energy: 1.0320435986406251
Energy: 1.1651344409596798
Energy: 1.128660112680942
Energy: 1.012254086059979
Energy: 1.657973501688958
Energy: 1.189334962478477
Energy: 1.188679203643836
Energy: 1.210822852028801
Energy: 1.1981048763781479
Energy: 1.160116945402991
Energy: 1.6257782207006095
Energy: 1.0346099769929904
Energy: 0.9894239099477328
Energy: 0.911609762566267
Energy: 1.0824644780695623
Energy: 0.9483375115615664
Energy: 1.9253182038946313
Energy: 1.2458689626597916
Energy: 1.2232322747279447
Energy: 1.160894723581796
Energy: 1.202591929552369
Energy: 1.1746901770895763
Energy: 1.7353869418573886
Energy: 1.1948719029152213
Energy: 1.0570232388335743
Energy: 1.1460444936765324
Energy: 1.1853001151888722
Energy: 1.0357048348671731
Energy: 1.264150656947221
Energy: 0.9919979773125852
Energy: 1.0320256325359816
Energy: 1.2029743003935762
Energy: 1.049597779547945
Energy: 1.0435577614788543
Energy: 0.9958291051718817
Energy: 0.9104399627633967
Energy: 0.9792222785715059
Energy: 0.9988050573369173
Energy: 1.068694162674885
Energy: 0.9984421170292496
Energy: 1.0504982250524793
Energy: 1.0398000171655823
Energy: 1.028785415725002
Energy: 1.0521980578958368
Energy: 1.081490365412303
Energy: 0.9946680054939491
Energy: 1.2424110571902696
Energy: 1.2134597446199988
Energy: 1.3043127100675165
Energy: 1.2870042434299307
Energy: 1.3532448165864301
Energy: 1.2618801845907337
Energy: 1.160372075930057
Energy: 1.0401843059963496
Energy: 0.9904808500824763
Energy: 1.0250785439556627
Energy: 1.0395497785338708
Energy: 0.9951401717657149
Energy: 1.0623108382957833
Energy: 0.9998472953085117
Energy: 0.9815627769665749
Energy: 1.0022380312122312
Energy: 1.0161075258025767
Energy: 0.9667350370542219
Energy: 1.2099186447896784
Energy: 0.9749414752661912
Energy: 0.9701558374412677
Energy: 1.0347050240918167
Energy: 0.9984716882188985
Energy: 0.9637652420943565
Energy: 1.8549038312499488
Energy: 1.0962957030873843
Energy: 1.0773597351986006
Energy: 1.1283596884656104
Energy: 1.0676575924230995
Energy: 1.1148495914528325

minimum gb energy = 0.8968878629480049 eV
minimum distance =  2.39593584405664 Angstroms
sigma value = 57


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

Energy: 0.5860650015753339
Energy: 0.532299346442037
Energy: 0.5265270032107435
Energy: 0.5891183791754784
Energy: 1.6724112724304105
Energy: 0.5217392116288427
Energy: 0.5872338631333207
Energy: 0.5783865198680892
Energy: 0.53980478450522
Energy: 0.6073144677791964
Energy: 0.5776793676532407
Energy: 0.5526145681505703
Energy: 0.6886586545016947
Energy: 0.6127781522094798
Energy: 0.6127206912500688
Energy: 0.5726181893508439
Energy: 0.6122566038703433
Energy: 0.6125124639723074
Energy: 0.6890762818981989
Energy: 0.6133455462087961
Energy: 0.6132003808476313
Energy: 0.6117813928740404
Energy: 0.6134973079504006
Energy: 0.640671713145298
Energy: 0.6837037111974339
Energy: 0.5712811661391823
Energy: 0.5268361800136192
Energy: 0.5433412491216157
Energy: 0.5870922034201469
Energy: 0.5532584220232317
Energy: 0.6404685118130913
Energy: 0.5217559561851138
Energy: 0.5264836659932002
Energy: 0.582765839199124
Energy: 0.58693692356951
Energy: 0.5270797503197554
Energy: 0.6330597974703489
Energy: 0.5402454635781582
Energy: 0.5389808114185632
Energy: 0.6339764339464155
Energy: 0.5418937306718131
Energy: 0.5397775061853893
Energy: 0.6398815304285533
Energy: 0.5982157661198022
Energy: 0.6402691455828406
Energy: 0.6135836081530537
Energy: 0.5736192940862458
Energy: 0.6133141403783419
Energy: 1.1278739596117342
Energy: 0.556307691276354
Energy: 0.5549600243976456
Energy: 0.6118869282029458
Energy: 0.5714456649075622
Energy: 0.5730501260957229
Energy: 0.5868922866799956
Energy: 0.5569447029612664
Energy: 0.5293014301659543
Energy: 0.5869301871263112
Energy: 0.607389990680644
Energy: 0.5266731940084547
Energy: 0.5869267412860585
Energy: 0.5424052590259982
Energy: 0.5415870069495302
Energy: 0.5870030785698366
Energy: 0.5800765280751232
Energy: 0.5263144721294515
Energy: 0.6852105496780927
Energy: 0.6094663087550166
Energy: 0.6107210284438718
Energy: 0.5433318720303745
Energy: 0.6097374096701907
Energy: 0.55673868562319
Energy: 0.6870822901972145
Energy: 0.6415616823055177
Energy: 0.6412350150407315
Energy: 0.6409719591838455
Energy: 0.6627974700187331
Energy: 0.6411881362782098
Energy: 0.683712733617489
Energy: 0.6089254295885768
Energy: 0.5694839293462803
Energy: 0.608857465106744
Energy: 0.6081775844255658
Energy: 0.5531945604004733
Energy: 0.6896354943460777
Energy: 0.5242207090942287
Energy: 0.5214592179706303
Energy: 0.689633877862708
Energy: 0.5921326729618882
Energy: 0.5244403245264516
Energy: 0.6363885355927908
Energy: 0.5541759668913621
Energy: 0.5539896311551966
Energy: 0.6368431504834542
Energy: 0.5636083323519215
Energy: 0.5390720041775081
Energy: 0.639066423773815
Energy: 0.5566834443681726
Energy: 0.5737695037095457
Energy: 0.6121328459050275
Energy: 0.5714463665921891
Energy: 0.612330006082098
Energy: 0.6875419093931286
Energy: 0.5728438550493885
Energy: 0.5980890449811097
Energy: 0.6409059585947355
Energy: 0.5746883778525774
Energy: 0.6402373764758249
Energy: 0.587022533716088
Energy: 0.5406898754012525
Energy: 0.5403765856150108
Energy: 0.5870526463139061
Energy: 0.5422649699771191
Energy: 0.5406333870764398

minimum gb energy = 0.5214592179706303 eV
minimum distance =  2.4366640457251 Angstroms
sigma value = 11


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

Energy: 1.8306747838415391
Energy: 2.1055125324127775
Energy: 1.8432920974435538
Energy: 1.525076947491436
Energy: 1.264266765789504
Energy: 1.8426982187202199
Energy: 1.4953343131588561
Energy: 0.97366416998172
Energy: 0.9263287558429809
Energy: 0.9270233687909777
Energy: 0.9705994859820628
Energy: 0.9032411688304895
Energy: 0.8181262658500367
Energy: 0.7888056575640722
Energy: 0.7822194571042832
Energy: 0.8226614920984766
Energy: 0.8028177500112452
Energy: 0.7654208604870004
Energy: 0.8220719266326879
Energy: 0.7259126787866352
Energy: 0.7490266571505665
Energy: 0.8219257522538438
Energy: 0.8011069504639619
Energy: 0.7661833114036765
Energy: 0.9628306397941339
Energy: 1.0602956102638263
Energy: 0.9969705952151888
Energy: 0.953384604804749
Energy: 1.195954581723832
Energy: 0.9221999222035411
Energy: 1.484214080858687
Energy: 1.2608774702862244
Energy: 1.266953586014271
Energy: 1.4049933722413708
Energy: 1.333975925286455
Energy: 1.1026342712019446
Energy: 1.1029491454554372
Energy: 0.8874421283521039
Energy: 0.8468327962038621
Energy: 0.9579705357004915
Energy: 0.87540164543747
Energy: 0.8960968902460392
Energy: 0.9723125989997985
Energy: 0.9760217298545287
Energy: 0.9639381511979918
Energy: 0.9756559196665477
Energy: 0.9828234361909465
Energy: 0.9487938823666963
Energy: 1.0994662390832726
Energy: 0.9367245863580651
Energy: 0.8715920583924995
Energy: 0.8820710861829976
Energy: 0.9520164147176667
Energy: 0.8679666527918317
Energy: 1.5135308521490936
Energy: 1.2889291421814408
Energy: 1.0448125131670842
Energy: 1.2811543987460698
Energy: 1.284120436338277
Energy: 1.1865447132084728
Energy: 1.547726931823844
Energy: 1.1211557685077347
Energy: 1.0240753733548318
Energy: 1.1799612063961844
Energy: 1.1153964549287625
Energy: 1.0487077200167827
Energy: 1.4722073715800537
Energy: 1.0970869352325547
Energy: 1.0700334138198142
Energy: 1.4056490092237488
Energy: 1.1553380429923665
Energy: 1.1208056686773356
Energy: 1.0624080272631782
Energy: 1.1114210796637447
Energy: 1.008628870258564
Energy: 1.0636161845701133
Energy: 1.1384104453852248
Energy: 1.0822909299427699
Energy: 1.113956127660463
Energy: 0.937299039088357
Energy: 0.9416542941609
Energy: 1.1155075164421004
Energy: 0.9277902124973445
Energy: 1.0445686105719272
Energy: 1.3526864300094963
Energy: 1.3360354267214747
Energy: 1.3082996003091527
Energy: 1.3503217868038218
Energy: 1.3734951060597866
Energy: 1.647945633303851
Energy: 1.5183852925246268
Energy: 1.1091588876022453
Energy: 1.0784886497832258
Energy: 1.0999770255505483
Energy: 1.1515057397736956
Energy: 0.9605527961788131
Energy: 1.3805466621260498
Energy: 1.440759391011068
Energy: 1.2477770767391454
Energy: 1.2026856309823506
Energy: 1.5573377233053944
Energy: 1.2343176811673437
Energy: 1.5241584222971805
Energy: 1.109172741254038
Energy: 1.0476207437699732
Energy: 1.1503199816237886
Energy: 1.1190267312640947
Energy: 1.0095351603085356
Energy: 1.447495120197467
Energy: 1.0400949820824459
Energy: 1.0379618560289023
Energy: 1.118512890357581
Energy: 1.0600412883644394
Energy: 1.0283515180979141
Energy: 1.1723759790621262
Energy: 1.282649711584177
Energy: 1.146844824506634
Energy: 1.096584297202999
Energy: 1.3300337870588816
Energy: 1.1404520782479173
Energy: 1.4547646294508105
Energy: 1.1531505485688665
Energy: 1.0196961520137346
Energy: 1.1137656318335887
Energy: 1.182540875081674
Energy: 1.0426388527115846
Energy: 1.5105929749297742
Energy: 1.5041643220684344
Energy: 1.5070333133494
Energy: 1.5182529852009234
Energy: 1.5302327489837049
Energy: 1.5807730324826004
Energy: 1.1097655255873085
Energy: 0.9720127664741229
Energy: 0.9866438392806339
Energy: 1.1121079492921828
Energy: 0.9541104060152257
Energy: 0.9891173625605238
Energy: 0.9285797664902252
Energy: 0.9448427889451831
Energy: 0.901859105937166
Energy: 0.9284362311140807
Energy: 0.964410694038366
Energy: 0.9155095948932112
Energy: 1.1268037132000894
Energy: 0.9325114235564091
Energy: 0.9228326230053845
Energy: 1.0991098674796274
Energy: 0.991183370667507
Energy: 0.886162091314844
Energy: 1.5643802568980592
Energy: 1.1256023666115567
Energy: 0.8906669945981688
Energy: 1.1780232581568857
Energy: 1.1282823723490745
Energy: 1.0210958921544473

minimum gb energy = 0.7259126787866352 eV
minimum distance =  2.32791663462193 Angstroms
sigma value = 41


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

Energy: 1.7227966163666595
Energy: 1.9092992397095432
Energy: 1.9159789658981374
Energy: 1.3223397221703375
Energy: 1.2044817384081883
Energy: 1.3318782670108946
Energy: 1.3184141836549066
Energy: 1.037949973657105
Energy: 0.956561467519991
Energy: 0.9221761290608528
Energy: 1.0485467471891852
Energy: 0.9550280915849333
Energy: 0.8611905306378237
Energy: 0.8093891213333102
Energy: 0.8092387461010937
Energy: 0.8661102302669046
Energy: 0.8377399695819261
Energy: 0.8095845562063682
Energy: 0.8619203904270717
Energy: 0.7788663653267734
Energy: 0.7760780235597421
Energy: 0.8729637032524097
Energy: 0.8400365626537118
Energy: 0.7936836644401195
Energy: 1.0289903701420557
Energy: 1.2085197677798225
Energy: 1.257102370697138
Energy: 1.0281502366520163
Energy: 1.3123945997275106
Energy: 0.940592273196561
Energy: 1.5048591046307536
Energy: 1.32866186886558
Energy: 1.404989551640987
Energy: 1.4103139041777852
Energy: 1.4022017724369669
Energy: 1.2885906821252
Energy: 1.2588803535859774
Energy: 0.9757278748507935
Energy: 0.9225737090784
Energy: 1.0290818593006412
Energy: 0.9674633926706773
Energy: 0.9259645048861033
Energy: 1.0818202775707395
Energy: 1.1286891185780688
Energy: 1.156349208806362
Energy: 1.083048942077527
Energy: 1.1293532350221842
Energy: 0.7945464983815645
Energy: 1.3484305490182826
Energy: 1.012147708445961
Energy: 0.9477833633909605
Energy: 0.9768669945249311
Energy: 0.9836350751722883
Energy: 0.9277033853120776
Energy: 1.3333063374103855
Energy: 1.1844466716178077
Energy: 1.1518736677573256
Energy: 1.1933172827070158
Energy: 1.183594333847741
Energy: 1.1780500181608322
Energy: 1.2724076171244987
Energy: 1.3118010185383382
Energy: 1.185150414033449
Energy: 1.0520715143164028
Energy: 1.202575552431078
Energy: 1.107027192876826
Energy: 1.6100886464714605
Energy: 1.2838444948970424
Energy: 1.153521308305723
Energy: 1.2288500982214263
Energy: 0.8364515490155319
Energy: 1.1194966369571229
Energy: 1.3008639753250193
Energy: 1.2086285815602225
Energy: 1.210950980737643
Energy: 1.3006441043360646
Energy: 1.2713767856990112
Energy: 1.1870922211435986
Energy: 1.0381058596825607
Energy: 0.929378866201723
Energy: 0.9988023219085294
Energy: 1.0396663396323695
Energy: 0.9308665602452083
Energy: 1.0285293664980308
Energy: 1.128808884612149
Energy: 1.0757007649481733
Energy: 1.095861216499485
Energy: 1.1265915499800945
Energy: 1.1308306580505896
Energy: 1.1017267308300542
Energy: 1.294381476301056
Energy: 1.0389800770652557
Energy: 0.935781399036498
Energy: 1.0156496497097693
Energy: 1.045477493010592
Energy: 0.9060009926470143
Energy: 1.7268629872173864
Energy: 1.2071551056615772
Energy: 1.614644807988038
Energy: 1.402654422856439
Energy: 1.0303397896207855
Energy: 1.3566377795548787
Energy: 1.7731400865458518
Energy: 1.0096109280290126
Energy: 1.0186417748746233
Energy: 1.3683522090756115
Energy: 1.0281093977203164
Energy: 1.2505741584721364
Energy: 0.8613274832934112
Energy: 0.8088793019826073
Energy: 0.8095105017906179
Energy: 0.8586907508387128
Energy: 0.8664348985141601
Energy: 0.8146353447484963
Energy: 0.9917522381283471
Energy: 0.8236106841087232
Energy: 0.7883225719101187
Energy: 0.902136407638284
Energy: 0.8660074772777149
Energy: 0.7924752511664285
Energy: 1.0278847539951066
Energy: 0.9164048094584374
Energy: 0.9070399760802178
Energy: 1.027622802196727
Energy: 0.9173298039315884
Energy: 0.906714981004812
Energy: 1.540923458296849
Energy: 1.6046580505727424
Energy: 1.625788774789262
Energy: 1.5611888529323594
Energy: 1.613003789295101
Energy: 1.6325773370560894
Energy: 1.2561973796795085
Energy: 0.9218200853884478
Energy: 0.9054658816839863
Energy: 1.0273598895455183
Energy: 0.957315967077172
Energy: 0.9156832927513168
Energy: 1.0824169455630293
Energy: 1.119275323600058
Energy: 1.0838302642788098
Energy: 0.9869049120936346
Energy: 1.12796968877375
Energy: 0.8082199298901053
Energy: 1.272670365425908
Energy: 0.9897190006844001
Energy: 1.0286298305913637
Energy: 1.0076523139248368
Energy: 1.001064831609079
Energy: 0.9372455893690158
Energy: 1.2725532252382858
Energy: 1.175432903516773
Energy: 1.2134451064587886
Energy: 1.0518280068285624
Energy: 1.1754161946424786
Energy: 1.0991412302277357
Energy: 1.2374707901523276
Energy: 1.176954019401408
Energy: 1.184649314357269
Energy: 1.1496768493147744
Energy: 1.2292317813797402
Energy: 1.1791011227335015
Energy: 1.6702307179500118
Energy: 1.1597878381477553
Energy: 1.0571397034345777
Energy: 1.1779807030148286
Energy: 1.2642242271597552
Energy: 1.0568857633935116
Energy: 1.4133805156431405
Energy: 1.358057745112665
Energy: 1.3537066661995691
Energy: 1.413073716438793
Energy: 1.3461495891994004
Energy: 1.357119257111816
Energy: 1.2236818900327575
Energy: 1.056975058292306
Energy: 1.0550818424968373
Energy: 1.2250273160471845
Energy: 0.9398303240545611
Energy: 1.1904926293738005
Energy: 1.0327265856388579
Energy: 1.0846038821726771
Energy: 1.0752093878156554
Energy: 1.032280559543797
Energy: 1.077608652459454
Energy: 1.1286242003752165
Energy: 1.2491594625249902
Energy: 1.0370214238846582
Energy: 0.9216695377661809
Energy: 0.994963239536691
Energy: 1.051936176233776
Energy: 0.9719777704433271
Energy: 1.5721358190967314
Energy: 1.0394163507520817
Energy: 1.198151479371097
Energy: 1.3458715756759552
Energy: 1.0730913486665408
Energy: 1.2025961608410396

minimum gb energy = 0.7760780235597421 eV
minimum distance =  2.33526912779565 Angstroms
sigma value = 33


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

Energy: 1.201080833363762
Energy: 1.591807490040397
Energy: 1.5976419694522699
Energy: 1.2024161847564359
Energy: 2.072701185158494
Energy: 1.589759071591732
Energy: 1.4189021732306701
Energy: 1.0501875864737822
Energy: 1.0055046550909914
Energy: 1.005438165521067
Energy: 1.0916641382087833
Energy: 1.0151560162209896
Energy: 0.9524701109824532
Energy: 0.8421553590564044
Energy: 0.8624066935769741
Energy: 0.9772209758353383
Energy: 0.8721654839670598
Energy: 0.818813516587282
Energy: 0.9194109924353211
Energy: 0.8147174441834669
Energy: 0.8181356253572862
Energy: 0.9213294487759217
Energy: 0.8596719122846407
Energy: 0.8191640286510372
Energy: 1.0978356221387582
Energy: 1.132111167968739
Energy: 1.0080649060163118
Energy: 1.0918428467116978
Energy: 1.151671998941047
Energy: 1.0093939043189823
Energy: 1.3327083442114689
Energy: 1.3595816132552467
Energy: 1.2150384736196929
Energy: 1.107022057212407
Energy: 1.3859903888487373
Energy: 1.2197400643993
Energy: 1.387977273970464
Energy: 1.0621523320969783
Energy: 1.0090952983693002
Energy: 1.086278525902268
Energy: 1.0631550233860696
Energy: 0.9914609972860109
Energy: 1.2010877399936728
Energy: 1.39091972991493
Energy: 0.9606300236914842
Energy: 0.9875214758472654
Energy: 1.3117451948634269
Energy: 0.8759792362557628
Energy: 0.92290721080608
Energy: 1.0436494632395392
Energy: 1.0425247354118177
Energy: 0.7921015860326206
Energy: 1.0614703389224895
Energy: 1.0300247237064508
Energy: 1.4345820455680147
Energy: 1.292470917515166
Energy: 1.2920959683521052
Energy: 1.128925464143982
Energy: 1.2649044811718722
Energy: 1.2193198683150257
Energy: 1.43688313533427
Energy: 1.0658320713419356
Energy: 1.0818645543498255
Energy: 1.135336855803199
Energy: 1.047165344029177
Energy: 1.0244014156399825
Energy: 1.3314160315163457
Energy: 1.1822236095759486
Energy: 1.3969114893693797
Energy: 1.100137064922782
Energy: 1.3710675217555752
Energy: 1.4364412356170775
Energy: 1.1004128590840654
Energy: 1.3386747560705394
Energy: 1.397409075929098
Energy: 1.1012873210647578
Energy: 1.3958691673634924
Energy: 1.4385531504301878
Energy: 0.9032020995880107
Energy: 0.8279328324720344
Energy: 0.8606482604249246
Energy: 0.9024585384721727
Energy: 0.8248822585113142
Energy: 0.8702065420038839
Energy: 0.9306656284546311
Energy: 1.0107832192760589
Energy: 0.923552212305628
Energy: 0.9111593493893984
Energy: 1.0370915748197211
Energy: 0.9233296663107826
Energy: 0.8911117080340388
Energy: 0.8687852566164865
Energy: 1.007252857925535
Energy: 0.8212466152110104
Energy: 1.113425925827549
Energy: 0.8200442670420308
Energy: 1.6691956491759423
Energy: 1.1441028708057186
Energy: 1.2880955915950305
Energy: 1.236168550516165
Energy: 1.0940577750695804
Energy: 1.25400490670843
Energy: 1.4405696091082354
Energy: 1.0978940644732593
Energy: 1.0084653678126334
Energy: 1.1354702252160143
Energy: 1.0983441705779056
Energy: 1.005508794423234
Energy: 1.3249331956838797
Energy: 0.79277629033479
Energy: 0.844646037478359
Energy: 1.0947773786823625
Energy: 0.9292975664862663
Energy: 1.0603647606756716
Energy: 1.0958595969484906
Energy: 0.851429143582632
Energy: 0.8518737548912405
Energy: 1.0970394661177527
Energy: 0.9291729292672235
Energy: 1.0965414946239191
Energy: 1.083531552858585
Energy: 0.994529672406599
Energy: 0.9933745138593915
Energy: 1.0839999186063514
Energy: 1.0082605291781301
Energy: 0.9926602290061559
Energy: 1.2798773284579583
Energy: 1.2531414631196993
Energy: 1.2191074743256582
Energy: 1.2759352229860594
Energy: 1.2860091483542702
Energy: 1.2719734680460275
Energy: 1.3809658506319487
Energy: 1.0168139114100079
Energy: 1.0213474969306724
Energy: 1.073083080655887
Energy: 1.097395492118187
Energy: 1.014324221090308
Energy: 1.2129485525686936
Energy: 1.2089983080954256
Energy: 1.5887487068305615
Energy: 1.6007923935780908
Energy: 1.1982712612729285
Energy: 1.6167950941221318
Energy: 1.9398355143214663
Energy: 1.0461371981401173
Energy: 1.0943792041977012
Energy: 1.36625163777423
Energy: 1.0923812740212717
Energy: 0.986391190447141
Energy: 0.9159956344072737
Energy: 0.8473295416561265
Energy: 0.8831143755301447
Energy: 0.9096936662088444
Energy: 0.9316390507207198
Energy: 0.8799057137500295
Energy: 0.9173088018483389
Energy: 0.8375203186661999
Energy: 0.8202680220777757
Energy: 0.9096194115544564
Energy: 0.8975616258591489
Energy: 0.8619193991672768
Energy: 1.0959422722433358
Energy: 1.0056038078415384
Energy: 1.0045156675058724
Energy: 1.0971129419938697
Energy: 1.1199858153199898
Energy: 0.9939930697260689
Energy: 1.327389531896188
Energy: 1.3507500198005498
Energy: 1.24025577280705
Energy: 1.3130005131726314
Energy: 1.236198352311954
Energy: 1.2632412388075573
Energy: 1.3901027597695537
Energy: 1.0119832554868082
Energy: 0.9920240560415191
Energy: 1.0840833083044576
Energy: 1.0607618664095753
Energy: 0.9920934716301666
Energy: 1.20039415097349
Energy: 1.344248493878931
Energy: 0.8975574537310773
Energy: 0.7931186554621675
Energy: 1.238792388649906
Energy: 0.8592783159267748
Energy: 0.941873374176377
Energy: 1.0586642425740025
Energy: 1.0348295310417344
Energy: 1.0211007044615452
Energy: 1.0885278625394688
Energy: 1.031878748593023
Energy: 1.4417404158653069
Energy: 1.1054892152741673
Energy: 1.077833447660598
Energy: 1.1488016280558595
Energy: 1.1192192846339986
Energy: 1.1095698960059739
Energy: 1.4410832551333592
Energy: 1.1453225637719089
Energy: 1.1739523851271265
Energy: 1.1330643209078033
Energy: 1.0857159579330513
Energy: 1.1759242926470097
Energy: 1.3303418689097042
Energy: 1.1814324449743943
Energy: 1.1938121103976669
Energy: 1.0971293842504906
Energy: 1.2680955245754875
Energy: 1.0650428393551346
Energy: 1.2378360949966973
Energy: 1.6294387941896415
Energy: 1.6296724449364317
Energy: 1.2374089856744879
Energy: 1.5633250767959772
Energy: 1.6325287622673252
Energy: 0.9031752423321217
Energy: 1.0226247238766515
Energy: 1.0174307284049546
Energy: 0.9250440851522846
Energy: 0.8247361193945939
Energy: 0.8585821166744599
Energy: 0.950259811961782
Energy: 1.0075656049706128
Energy: 0.8653836375057449
Energy: 0.9519832258257769
Energy: 0.8354524175706024
Energy: 0.9604185415260452
Energy: 0.9004265815715204
Energy: 0.909843272445656
Energy: 0.7934898008275719
Energy: 0.8374649743446013
Energy: 0.8935684226651104
Energy: 0.7931840763091691
Energy: 1.4383598361982624
Energy: 1.0932688927593328
Energy: 1.0947940512821424
Energy: 1.1391601384965877
Energy: 1.0940818121894336
Energy: 1.216679315179558
Energy: 1.3772146147424502
Energy: 1.0950704820615187
Energy: 1.1101169397496573
Energy: 1.1360690436329803
Energy: 1.094344174581221
Energy: 1.004327809534773
Energy: 1.3181316343127216
Energy: 0.8858014684565217
Energy: 0.8140763879715699
Energy: 1.081312452925385
Energy: 0.9578226969189917
Energy: 0.9949394035254707
Energy: 1.0955023490250626
Energy: 0.8387553081611054
Energy: 0.8575789441643793
Energy: 1.093416216826683
Energy: 0.9954341138576932
Energy: 0.873967478620469
Energy: 1.2465084692063808
Energy: 0.993411053847782
Energy: 0.9913103753255659
Energy: 1.2702846758499942
Energy: 0.9861141157200091
Energy: 0.9912955800009613
Energy: 1.279975742366032
Energy: 1.247155024593993
Energy: 1.243903782952682
Energy: 1.2763541249686008
Energy: 1.2052667804420387
Energy: 1.2782118220721277
Energy: 1.3888152879823057
Energy: 1.0310837501884518
Energy: 1.0160891186076297
Energy: 1.0624968004362476
Energy: 1.1301905884046877
Energy: 1.0142808287809502
Energy: 1.978110956090539
Energy: 1.2128736041066046
Energy: 1.6391153520128816
Energy: 1.3263102688754973
Energy: 1.1982548564099458
Energy: 1.629679013749814

minimum gb energy = 0.7921015860326206 eV
minimum distance =  2.37515956764441 Angstroms
sigma value = 67


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

Energy: 1.4393984665882333
Energy: 0.9481790030990761
Energy: 0.9492530882622155
Energy: 1.3034129350358417
Energy: 1.8905472908630834
Energy: 1.3026552918726328
Energy: 0.9968589043971082
Energy: 1.1992725100612052
Energy: 1.1671978789685424
Energy: 0.9166286662363772
Energy: 1.1992347368161869
Energy: 1.1767217973158854
Energy: 1.1991362363064548
Energy: 0.934240075869957
Energy: 0.9600935393249209
Energy: 0.9532244656833424
Energy: 0.9183514126298378
Energy: 0.931339446916974
Energy: 0.9551353431037063
Energy: 0.8806352309197242
Energy: 0.8807014230452038
Energy: 0.9552147862912117
Energy: 0.8827011268075187
Energy: 0.8807715566055004
Energy: 0.9158278850984266
Energy: 0.8596114834015981
Energy: 0.8555383241013528
Energy: 0.9161598644795216
Energy: 0.849143227420915
Energy: 0.8902968106141325
Energy: 0.9524855050495606
Energy: 1.1234069744065316
Energy: 0.8733686697535086
Energy: 0.9656375654338923
Energy: 1.185733316605882
Energy: 0.9199569963327482
Energy: 0.999025951068277
Energy: 1.1647962525066715
Energy: 1.1644659602839404
Energy: 0.9940766587183
Energy: 1.1642935002199317
Energy: 1.1644546867634973

minimum gb energy = 0.849143227420915 eV
minimum distance =  2.30988954244364 Angstroms
sigma value = 3


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

Energy: 1.926776653665184
Energy: 1.8430597088388934
Energy: 1.6560956994998601
Energy: 1.5543012697270862
Energy: 1.965270883767537
Energy: 1.6446220786007817
Energy: 1.4310341206353538
Energy: 1.2214408030364334
Energy: 1.1959538355951538
Energy: 1.1852999494808467
Energy: 1.2946020868284203
Energy: 1.1130971270182863
Energy: 1.304338898628545
Energy: 1.2694979541757192
Energy: 1.2662975062718564
Energy: 1.3052270214019726
Energy: 1.2706291528985112
Energy: 1.266062493201334
Energy: 1.1537021880760239
Energy: 1.1142859192946868
Energy: 1.1063883300442308
Energy: 1.1099560390274785
Energy: 1.1260007109577659
Energy: 1.1118677064177276
Energy: 1.015521951702316
Energy: 0.9780016073687182
Energy: 0.9870808281673965
Energy: 1.0170249391652602
Energy: 1.0036465422929015
Energy: 1.0067313729554492
Energy: 1.2527611493470163
Energy: 1.14548602687136
Energy: 1.1694313046070115
Energy: 1.2063115829050008
Energy: 1.1983062407852645
Energy: 1.0854485747390608
Energy: 1.2369549349244502
Energy: 1.2612474984253839
Energy: 1.2176515886872563
Energy: 0.9311082448867568
Energy: 1.2499407084950738
Energy: 1.0122598321788439
Energy: 1.7647763657694695
Energy: 1.6202301592003423
Energy: 1.4803520423082244
Energy: 1.441839099479259
Energy: 1.7018292758186164
Energy: 1.5016486399064728
Energy: 1.6136094007455977
Energy: 1.2773603037401209
Energy: 1.276689694129463
Energy: 1.3592209381308988
Energy: 1.3228725718008265
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Energy: 1.5971045474654986
Energy: 1.3981929041891048
Energy: 1.3536194297043727
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Energy: 1.43010020575918
Energy: 1.355083624599194
Energy: 1.3200526868576927
Energy: 1.336533659360043
Energy: 1.357117393644629
Energy: 1.2809059794540396
Energy: 1.3140922657077665
Energy: 1.0937517737601057
Energy: 0.9837992934842819
Energy: 1.015621129503191
Energy: 1.1119654051927939
Energy: 1.0636990028882212
Energy: 1.0800710385841403
Energy: 1.0572349740090676
Energy: 1.0351688513586348
Energy: 1.03476783548686
Energy: 1.1783234183870253
Energy: 1.0127029917496555
Energy: 1.0162950438921514
Energy: 1.301091241802792
Energy: 1.116097267197427
Energy: 1.1440619652672952
Energy: 1.0862185167672755
Energy: 1.07866444122453
Energy: 1.1295051651964827
Energy: 1.4969200527440403
Energy: 1.2197098353986933
Energy: 1.2897078064026763
Energy: 1.2772977773858956
Energy: 1.3110372783419215
Energy: 1.2082826537502807
Energy: 1.445809883608169
Energy: 1.0580192339140426
Energy: 1.0624156871465866
Energy: 1.4476091121382115
Energy: 1.0815214829992852
Energy: 1.2702753697854794
Energy: 1.2614458653618121
Energy: 1.4514453285951334
Energy: 1.3718600562891716
Energy: 1.2637705364036862
Energy: 1.4510349656888977
Energy: 1.2918624258137896
Energy: 1.5511510294654511
Energy: 1.3280302398051491
Energy: 1.3587815470078792
Energy: 1.5175191303485578
Energy: 1.2193186090601822
Energy: 1.3723751664468327
Energy: 1.5585771557961627
Energy: 1.1771089625570175
Energy: 1.255480322412829
Energy: 1.5073405808016398
Energy: 1.3598873705711556
Energy: 1.232661174456885
Energy: 1.4838375531191252
Energy: 1.1936128992072295
Energy: 1.22536863639846
Energy: 1.326780919472776
Energy: 1.1881495119364913
Energy: 1.1999935947712317
Energy: 1.0295021898072927
Energy: 1.043196209447922
Energy: 0.9451229462722593
Energy: 1.0790927297362467
Energy: 1.0450440228165354
Energy: 0.9325046320032709
Energy: 0.9833885422731679
Energy: 1.1550018371112856
Energy: 1.0868928722834954
Energy: 0.9741661216137292
Energy: 1.2210077110790158
Energy: 1.0502443276602889
Energy: 0.9782305438479993
Energy: 0.91345327203534
Energy: 0.9638558609810596
Energy: 0.9797765042681955
Energy: 0.9214579066169439
Energy: 0.9705606696027808
Energy: 1.2446802306154348
Energy: 1.350141173657644
Energy: 1.3136199789928567
Energy: 1.2423158542425634
Energy: 1.358788978947394
Energy: 1.381256131477566
Energy: 1.4382653264609238
Energy: 1.1996143227777114
Energy: 1.2623843066977247
Energy: 1.271683146114244
Energy: 1.3136386914021727
Energy: 1.2189475736316804
Energy: 1.6621095665036547
Energy: 1.2766662246604057
Energy: 1.391477497722342
Energy: 1.491729550327326
Energy: 1.4319938024854126
Energy: 1.3215310063811667
Energy: 1.67762566212049
Energy: 1.2735389493622677
Energy: 1.3608798980306915
Energy: 1.55673326518069
Energy: 1.3118933496427003
Energy: 1.3615684365987692
Energy: 1.2773979813125496
Energy: 1.1299633700142528
Energy: 1.1221230731132739
Energy: 1.2507998617087872
Energy: 1.2274971063289248
Energy: 1.0994883235666426
Energy: 1.1180216163261723
Energy: 1.2509658434331306
Energy: 1.2525869604146391
Energy: 1.1055165984519928
Energy: 1.2758860606128548
Energy: 1.1610452972036607
Energy: 1.0707120553682279
Energy: 1.0343422415232222
Energy: 1.0346295158147103
Energy: 1.0725993736175143
Energy: 1.0398795960049123
Energy: 1.034899005153189
Energy: 1.0936537751290833
Energy: 1.2649219464203836
Energy: 1.2324168854576565
Energy: 1.0248023949587621
Energy: 1.2822315193846883
Energy: 1.1654265313021885
Energy: 1.1332262531902346
Energy: 1.050503864866205
Energy: 1.0123098668368542
Energy: 1.0934081080183875
Energy: 1.1325191391450815
Energy: 0.9476809312235429
Energy: 1.62449682798336
Energy: 1.2440713057221466
Energy: 1.311473516014671
Energy: 1.5757506580391152
Energy: 1.2455599366408179
Energy: 1.348967236853377
Energy: 1.6376807759022731
Energy: 1.2829270222555509
Energy: 1.1597604120067169
Energy: 1.489051211034298
Energy: 1.2576443447656915
Energy: 1.2614692153287588
Energy: 1.5305269378743431
Energy: 1.3625188667853314
Energy: 1.3232873276636024
Energy: 1.5325740436582176
Energy: 1.427751347636835
Energy: 1.3374456355282403
Energy: 1.313188151934556
Energy: 1.3834545171329844
Energy: 1.2357330008856262
Energy: 1.3158615258553323
Energy: 1.39817792450428
Energy: 1.3953478032835502
Energy: 1.2096047345970349
Energy: 0.9427154005063971
Energy: 0.9705662050556874
Energy: 1.2116511201967404
Energy: 0.9659756658018114
Energy: 0.9968730299052101
Energy: 1.453205120410001
Energy: 1.1259847358493402
Energy: 1.1474347186406884
Energy: 1.2627786882024268
Energy: 1.1471802365206902
Energy: 1.2032517145877313
Energy: 1.1034266424079107
Energy: 1.0290737198142756
Energy: 1.0119216473847148
Energy: 1.0233570457256125
Energy: 1.0239413123081067
Energy: 0.9874772845658099
Energy: 1.471279182543826
Energy: 1.1054406024151409
Energy: 1.1020943098904818
Energy: 1.2256299971184503
Energy: 1.1480259722618378
Energy: 1.0933765946865526
Energy: 1.345723771925232
Energy: 1.07892671562052
Energy: 1.129704085552701
Energy: 1.3666377236566036
Energy: 1.0636249854407878
Energy: 1.1196544677076605
Energy: 1.5353253128192517
Energy: 1.4252876112255461
Energy: 1.4089459241609743
Energy: 1.5057507084863648
Energy: 1.4992585650858998
Energy: 1.353634509086141
Energy: 1.6557582901984387
Energy: 1.3860169973334482
Energy: 1.3864011805186232
Energy: 1.6341909676494744
Energy: 1.4666110500465173
Energy: 1.4345309633129146
Energy: 1.534231254949945
Energy: 1.2060284133833539
Energy: 1.1972991254351915
Energy: 1.4848397866818124
Energy: 1.2037180087138508
Energy: 1.2137299417132896
Energy: 1.6685955787437243
Energy: 1.3250827184267326
Energy: 1.2933858412369197
Energy: 1.3582093056078823
Energy: 1.395519973225976
Energy: 1.3260555781361019
Energy: 1.0890372671964774
Energy: 1.0966535065823284
Energy: 1.1576712758500756
Energy: 1.0047749536961819
Energy: 1.1241072411173902
Energy: 0.9716686141911121
Energy: 1.327751782533786
Energy: 1.0684715825963056
Energy: 1.0319866824378714
Energy: 1.25516917075602
Energy: 1.0352101234082438
Energy: 1.0079637895893665
Energy: 1.0810208867631315
Energy: 0.9331032529889262
Energy: 0.9298788432386085
Energy: 0.9788833396605124
Energy: 0.9891445164195249
Energy: 0.9443718137168157
Energy: 1.2284045577033418
Energy: 1.1700923823528298
Energy: 1.2484935829094028
Energy: 1.2199734389276577
Energy: 1.1627193592543177
Energy: 1.2472876955302152
Energy: 1.4099805660832374
Energy: 1.3181238972189497
Energy: 1.3113603561872786
Energy: 1.412187808001857
Energy: 1.3489042504397468
Energy: 1.3747490515166056
Energy: 1.537152343317922
Energy: 1.458563106487025
Energy: 1.3506442770459235
Energy: 1.2304234688877917
Energy: 1.4333151740878507
Energy: 1.30318527598304

minimum gb energy = 0.91345327203534 eV
minimum distance =  2.31287121540391 Angstroms
sigma value = 81


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

Energy: 1.9030467333780579
Energy: 1.4388447956346384
Energy: 1.366679391154038
Energy: 1.4450758296551791
Energy: 1.452635339339415
Energy: 1.5020579394940807
Energy: 1.2049225957947685
Energy: 0.963283484394325
Energy: 0.9094892907002339
Energy: 0.9248428661834001
Energy: 1.0789050791126304
Energy: 0.901498871258925
Energy: 1.3332821556346124
Energy: 0.9493986057948268
Energy: 0.9644567768835436
Energy: 1.2110348078293367
Energy: 1.0296062774910948
Energy: 1.1118423626771068
Energy: 1.1472354135786518
Energy: 0.9076325817300386
Energy: 1.1216272573802786
Energy: 1.150598990948162
Energy: 0.9306227643854329
Energy: 1.0415049157857181
Energy: 1.145930766544503
Energy: 1.130981816524923
Energy: 1.0454769067535363
Energy: 1.1441633218253389
Energy: 1.153376464831992
Energy: 1.1373953037566136
Energy: 1.3240624447782354
Energy: 1.2664086737483333
Energy: 1.2602906582220181
Energy: 1.1924129442335227
Energy: 1.3955519875455522
Energy: 1.0371198058861257
Energy: 1.3165477900485332
Energy: 1.2583071916487607
Energy: 1.0660539764362236
Energy: 1.0913704889418105
Energy: 1.1472337123519076
Energy: 1.2035509742578476
Energy: 1.6617938206353564
Energy: 1.2738117429036775
Energy: 1.2743768467219372
Energy: 1.4129633958310353
Energy: 1.2738509260301234
Energy: 1.2807137195038338
Energy: 1.3757112154667264
Energy: 1.3808405303681703
Energy: 1.1917059533831353
Energy: 1.193176799708327
Energy: 1.3206380824558406
Energy: 1.107303603732908
Energy: 1.3719297275927338
Energy: 1.3122890375171183
Energy: 1.312690021365409
Energy: 1.3899687294505683
Energy: 1.1840613540349272
Energy: 1.3005862908782249
Energy: 1.2785785217372772
Energy: 1.0849703647630302
Energy: 1.0752698335961473
Energy: 1.2800651831780052
Energy: 0.9471116151958363
Energy: 1.2042451843586246
Energy: 0.9318022808013215
Energy: 1.1141060292985696
Energy: 1.1186820992324684
Energy: 0.9318421844793342
Energy: 1.1887070469398713
Energy: 1.1127517980108328
Energy: 0.9318464080253784
Energy: 1.1830410061078154
Energy: 1.11547634467836
Energy: 1.0396281325935648
Energy: 1.0890125685473844
Energy: 0.9858037127601652
Energy: 1.0758022742443605
Energy: 1.1596937961638667
Energy: 1.133484493764618
Energy: 0.9652673493585028
Energy: 1.1458254536431944
Energy: 1.1244706765421857
Energy: 1.3449872943504881
Energy: 1.2999920033695231
Energy: 1.3317401991530158
Energy: 1.0549553602531638
Energy: 1.2783458990628287
Energy: 1.3204398364102767
Energy: 1.2577740468112948
Energy: 1.0396690520799576
Energy: 1.0417220803552547
Energy: 1.251553176026255
Energy: 1.0403759710506648
Energy: 1.114803622449808
Energy: 1.3471812601712208
Energy: 1.2711334530655154
Energy: 1.2286666614228627
Energy: 1.2404318155690024
Energy: 1.2566615075150576
Energy: 1.23464646829202
Energy: 1.4430710582649706
Energy: 1.247644277203113
Energy: 1.2591942597657768
Energy: 1.346978472987679
Energy: 1.237207725711505
Energy: 1.1734592295891675
Energy: 1.6350017973994808
Energy: 1.1411145585677347
Energy: 1.091908266182673
Energy: 1.3861145765145417
Energy: 1.2888833841582064
Energy: 1.0614890716832555
Energy: 1.6293409085697437
Energy: 1.207468244241313
Energy: 1.0079850942272408
Energy: 1.6302408675588311
Energy: 1.2680357608481088
Energy: 1.1473214305492971
Energy: 1.1578413312557196
Energy: 1.0812113245028248
Energy: 1.0828635818762384
Energy: 1.080429192784305
Energy: 1.0441098841121539
Energy: 1.0868130503796167
Energy: 1.2796340828307342
Energy: 1.035104580667948
Energy: 1.0493432198251056
Energy: 1.1014821527180678
Energy: 1.2510659392095465
Energy: 0.9977132313999016
Energy: 1.000221499094774
Energy: 0.9491828576630724
Energy: 1.0099915256357865
Energy: 1.0017001622441017
Energy: 0.9512530126171852
Energy: 0.9529622589900583
Energy: 1.1514644396673146
Energy: 1.0919392222055377
Energy: 1.303735214887694
Energy: 1.1470600227474672
Energy: 1.351106050578045
Energy: 1.2423468278612628
Energy: 1.3199452693568272
Energy: 1.1553715616147118
Energy: 1.1233772489332332
Energy: 1.0594692549119444
Energy: 1.2689046160413058
Energy: 1.1218766772900846
Energy: 1.3192903497304291
Energy: 1.2460918709894817
Energy: 1.2631168863489106
Energy: 1.3779411857649755
Energy: 1.2386252857348243
Energy: 1.2403120856090586
Energy: 1.3188995718537948
Energy: 1.249672522428216
Energy: 1.3669100897214832
Energy: 1.32339342251822
Energy: 1.2472683567252008
Energy: 1.1795265746205656
Energy: 1.3768964357590086
Energy: 0.9905117791125813
Energy: 1.105019763665394
Energy: 1.1918699342814336
Energy: 1.2258697032640031
Energy: 1.1954522788090822
Energy: 1.2776515935357602
Energy: 1.45058675327434
Energy: 1.3129003430885833
Energy: 1.2494438314346723
Energy: 0.9862140554174437
Energy: 1.3084981977736312
Energy: 1.0866354357770174
Energy: 1.1320623028661934
Energy: 1.1271878816949954
Energy: 1.0728103114332104
Energy: 1.081854215652119
Energy: 1.0158745889917289
Energy: 1.3317036678765362
Energy: 1.3035324694646417
Energy: 1.198624852649038
Energy: 1.1583770525540724
Energy: 1.3047403990052406
Energy: 1.0603999053460824
Energy: 1.0327307059273303
Energy: 0.9987352593179167
Energy: 1.1363148972459722
Energy: 1.0307108338401503
Energy: 1.0394747536879392
Energy: 1.0124582199823866
Energy: 1.4174543160869209
Energy: 1.126767786229412
Energy: 1.072702492563139
Energy: 1.4239223753849315
Energy: 1.166219367929388
Energy: 1.0711091446011185
Energy: 1.4066059820766277
Energy: 1.1362332208264883
Energy: 1.078190546064658
Energy: 1.3924720267697048
Energy: 1.1606130287801109
Energy: 1.0393121126069744
Energy: 1.4547234300594434
Energy: 1.052294673680501
Energy: 1.2105680668179415
Energy: 1.4132554198443965
Energy: 1.3438920141330584
Energy: 1.1301208804936254
Energy: 1.3834705053765097
Energy: 1.2293834060338766
Energy: 1.0923308319713652
Energy: 1.2651888043330235
Energy: 1.229688359122834
Energy: 1.2540950491448757
Energy: 1.4534365317061102
Energy: 1.0239469992127683
Energy: 0.9724759187785922
Energy: 1.2019882852715775
Energy: 1.1134557097364375
Energy: 0.9930506461724088
Energy: 1.9121952045363804
Energy: 1.2575297327977357
Energy: 1.3575591343398208
Energy: 0.986159115074759
Energy: 1.313301368780301
Energy: 1.3740868446282413

minimum gb energy = 0.901498871258925 eV
minimum distance =  2.29257339744531 Angstroms
sigma value = 43


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

Energy: 1.971509977750728
Energy: 1.741316734655497
Energy: 1.583201176892204
Energy: 1.4677092156351166
Energy: 1.835572302705891
Energy: 1.4525558194493373
Energy: 1.4187984696965221
Energy: 1.3253564758699674
Energy: 1.2608749121272318
Energy: 1.106786674323373
Energy: 1.3674267356440744
Energy: 1.1308360432559608
Energy: 1.2702921551339585
Energy: 1.0324606957037779
Energy: 1.0753319274730009
Energy: 1.2599990983738358
Energy: 1.1248714163861095
Energy: 1.1824148219540904
Energy: 1.0855005146462446
Energy: 1.0214293046262997
Energy: 1.0856955476306351
Energy: 1.0803497505882051
Energy: 1.193633469808149
Energy: 1.129222418953863
Energy: 0.9514901928187058
Energy: 0.9250283024799405
Energy: 0.9231415471884414
Energy: 0.9513740016353833
Energy: 0.8897467150834516
Energy: 0.9263323926937841
Energy: 1.1402657297414278
Energy: 0.9446634397848204
Energy: 0.9475350303836343
Energy: 1.0853724635008628
Energy: 0.9521359323340016
Energy: 0.9264561543978246
Energy: 1.1998615005480169
Energy: 1.0178820907674977
Energy: 0.9454529678059918
Energy: 1.009631157040425
Energy: 1.066267281180053
Energy: 1.0636528890350863
Energy: 1.6277334961730043
Energy: 1.264328829398626
Energy: 1.2817006261435508
Energy: 1.2747969639800745
Energy: 1.261649507168428
Energy: 1.3481391013568145
Energy: 1.5042699952238878
Energy: 1.0330474831026275
Energy: 1.16050251271052
Energy: 1.4407147742318103
Energy: 1.1883562717707077
Energy: 1.2700691508906972
Energy: 1.5049080210702421
Energy: 1.41762491769586
Energy: 1.4253655610869918
Energy: 1.506955363982286
Energy: 1.50020567314193
Energy: 1.4197771191386366
Energy: 1.5386933736571637
Energy: 1.2952351371701458
Energy: 1.247068337164964
Energy: 1.510898127855532
Energy: 1.3332814984476875
Energy: 1.2566758221213896
Energy: 1.37619740931461
Energy: 1.1999193925313474
Energy: 1.1989885884527163
Energy: 1.3990967416781965
Energy: 1.2141090865911182
Energy: 1.1984401550971748
Energy: 1.4130598246612822
Energy: 1.2124198677557372
Energy: 1.159842170470862
Energy: 1.280382896201759
Energy: 1.1791043413799034
Energy: 1.1622070450243498
Energy: 1.009001983755284
Energy: 1.0421876313557659
Energy: 0.9827839251354784
Energy: 0.9643043788909382
Energy: 1.01178820912519
Energy: 0.9517656220304775
Energy: 0.9847973643014484
Energy: 1.1550599609933736
Energy: 1.1187329353494915
Energy: 0.9556877078412984
Energy: 1.1029182333571763
Energy: 1.0005616343455375
Energy: 0.9608448907609549
Energy: 0.9818516602488621
Energy: 0.9553999169182281
Energy: 0.9586297082579796
Energy: 0.9882588402319276
Energy: 0.9811588189339743
Energy: 1.0216652344561368
Energy: 1.2038672165338176
Energy: 0.9889744724895262
Energy: 1.0230018318749232
Energy: 1.2234542698389714
Energy: 1.0340988821740345
Energy: 1.3060286936094523
Energy: 1.107207604275828
Energy: 0.9973043044380394
Energy: 1.152315672881014
Energy: 1.2263437227450997
Energy: 1.0257219572136946
Energy: 1.5584378893427746
Energy: 1.2501876237034102
Energy: 1.3027908339940166
Energy: 1.4341489837504389
Energy: 1.3024026062675473
Energy: 1.2324701704552634
Energy: 1.5647634964448727
Energy: 1.2920172841263904
Energy: 1.3028594645950935
Energy: 1.5364629399866228
Energy: 1.4257514216462113
Energy: 1.3205524838401768
Energy: 1.5092253075018074
Energy: 1.3048949850864864
Energy: 1.2551338962483254
Energy: 1.3213192649108119
Energy: 1.1679258242475814
Energy: 1.2428136829145773
Energy: 1.2591847066926405
Energy: 1.4451185887798697
Energy: 1.3380907904030062
Energy: 1.5496518107683703
Energy: 1.3773083731223184
Energy: 1.2703955715853472
Energy: 1.2948233854658295
Energy: 1.0488024334961397
Energy: 1.069858040923838
Energy: 1.2263066513768963
Energy: 1.0022136030542277
Energy: 1.0797824529425673
Energy: 1.1769353017321385
Energy: 1.2079271587761677
Energy: 1.1652406517371017
Energy: 1.0666227261357624
Energy: 1.2269270916002644
Energy: 1.1191422494391137
Energy: 1.1968192972203424
Energy: 1.0685824154650247
Energy: 1.0160675694952561
Energy: 1.2139683296413695
Energy: 1.0563129375256202
Energy: 0.9863302767817719
Energy: 1.0594326103812615
Energy: 0.9336608650381308
Energy: 0.9653493450332605
Energy: 1.0193391771729041
Energy: 0.9272785179913939
Energy: 0.9693634871789238
Energy: 1.063698254770602
Energy: 0.9744410939468879
Energy: 0.9631124832529802
Energy: 1.0756702355521677
Energy: 1.0118103736765562
Energy: 0.9633644885093195
Energy: 1.16920341901888
Energy: 0.911678783789165
Energy: 1.1693532912587594
Energy: 1.1706276466639243
Energy: 0.9149696883888889
Energy: 1.2265810936392334
Energy: 1.377936755135017
Energy: 1.3677285978639357
Energy: 1.3485354649013601
Energy: 1.3737059810754801
Energy: 1.2873352826844529
Energy: 1.3503415988298295
Energy: 1.5728782640166208
Energy: 1.2932051732219345
Energy: 1.3662505464906431
Energy: 1.1834655766570508
Energy: 1.2629571717050236
Energy: 1.2469410290194731
Energy: 1.8392233215702227
Energy: 1.4081273548258166
Energy: 1.4489459958182365
Energy: 1.4599350496157588
Energy: 1.4010200323800612
Energy: 1.3063695027323996

minimum gb energy = 0.8897467150834516 eV
minimum distance =  2.34093650789671 Angstroms
sigma value = 57


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

Energy: 1.6118079341037312
Energy: 1.2662199887463808
Energy: 1.1921690716995446
Energy: 1.6108339907519074
Energy: 1.5150710915552104
Energy: 1.4091973325205123
Energy: 1.5686229343268996
Energy: 0.9257820641806795
Energy: 0.9433397021926876
Energy: 0.9634900049926427
Energy: 0.9380879182776029
Energy: 0.9585336052461906
Energy: 1.4024003698118082
Energy: 0.9049704327575105
Energy: 0.9052068034333387
Energy: 1.187039758878992
Energy: 0.9585890562063224
Energy: 0.9051486028162186
Energy: 0.9649181117173922
Energy: 0.9213708376526043
Energy: 0.8827124867928956
Energy: 0.9659553935654336
Energy: 0.9419000165320289
Energy: 0.8903116467102757
Energy: 1.0085684210846717
Energy: 0.9102962697174446
Energy: 0.9084883442200887
Energy: 1.0080946075604256
Energy: 0.9096048520359238
Energy: 0.9077768303806185
Energy: 1.3229613273308207
Energy: 0.9066069802788046
Energy: 0.9241962752028902
Energy: 1.1202935944524672
Energy: 0.9331768452493585
Energy: 0.9064401581990342
Energy: 1.4406778529751563
Energy: 0.930714064592674
Energy: 1.0429213131228194
Energy: 1.0078110251467076
Energy: 1.0219410501415962
Energy: 1.0465636121034831
Energy: 1.3534263921370397
Energy: 1.169836161493932
Energy: 1.2001918547776278
Energy: 1.4261951642981563
Energy: 1.1785528548929998
Energy: 1.2011277048572075
Energy: 1.3197487290791317
Energy: 1.0323003853220014
Energy: 1.0341557933894716
Energy: 1.3196114527344094
Energy: 0.9956667599183481
Energy: 1.0893746867042842
Energy: 1.3892792199431803
Energy: 1.1635168725937357
Energy: 1.1654449778650688
Energy: 1.29665553011323
Energy: 1.3083175265079705
Energy: 1.1642649015515263
Energy: 1.6014462293010296
Energy: 0.9566347048545779
Energy: 1.0395443055212479
Energy: 1.3304103003297056
Energy: 0.9580490174612215
Energy: 1.1090940279719255
Energy: 1.5969041470481578
Energy: 1.0357152614661473
Energy: 1.0362444833075573
Energy: 0.9972680776408741
Energy: 1.030651857787028
Energy: 1.1546019677498705
Energy: 1.6761425623017803
Energy: 1.065841544580925
Energy: 1.1578330006378181
Energy: 1.421926802552184
Energy: 1.0324694433969106
Energy: 1.156158622037717
Energy: 0.9527440956904591
Energy: 0.9635803143114703
Energy: 0.9590495028682786
Energy: 0.9509489977295364
Energy: 0.9437513572888111
Energy: 0.9570727183531414
Energy: 1.0880483251037043
Energy: 1.1833508309999963
Energy: 0.9728326545933839
Energy: 1.058391653171328
Energy: 1.1803376667957075
Energy: 0.9670574243828961
Energy: 0.9829056608964015
Energy: 0.847992655646887
Energy: 1.0301679201147382
Energy: 0.982610792210619
Energy: 0.9335084381298636
Energy: 1.0151721841177463
Energy: 1.0096288368204875
Energy: 1.076641455371561
Energy: 0.9017268275838831
Energy: 1.0101868835569061
Energy: 1.0836103179552041
Energy: 0.9235342250746976
Energy: 1.2373917693731438
Energy: 0.9713307810425453
Energy: 0.9019249890224728
Energy: 1.0955943910586505
Energy: 0.9322470254601727
Energy: 0.9017406950406189
Energy: 0.9384865264546272
Energy: 1.0104222463040644
Energy: 1.0237686811708158
Energy: 0.9167369958354621
Energy: 1.0097950239631062
Energy: 1.0120923049555866
Energy: 1.345014044149856
Energy: 1.0663693550725208
Energy: 1.0335033512896612
Energy: 1.3209233672216534
Energy: 1.1702682194933482
Energy: 1.0337521419526672
Energy: 1.3176858734708736
Energy: 1.0031792618662623
Energy: 1.0937323268080328
Energy: 1.2914152795475307
Energy: 1.0032948473060357
Energy: 1.0899477880476933
Energy: 1.4054290053744833
Energy: 1.3051363373385283
Energy: 1.1987682191560178
Energy: 1.3513210954715353
Energy: 1.3030847946285984
Energy: 1.106683010286352
Energy: 1.309253402625853
Energy: 1.0147623534853143
Energy: 1.0896496338508064
Energy: 1.3305928133111589
Energy: 1.012436044602341
Energy: 1.0911574604737988
Energy: 1.695605600945853
Energy: 1.0699779330393164
Energy: 1.1567399624678765
Energy: 1.4216089953530398
Energy: 1.2067239489822588
Energy: 1.1576476228524801

minimum gb energy = 0.847992655646887 eV
minimum distance =  2.35416891684095 Angstroms
sigma value = 17


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

Energy: 1.8081509632051338
Energy: 1.1547768647678027
Energy: 1.1549986197931401
Energy: 1.1759138318803966
Energy: 1.4383014040357949
Energy: 1.047653947554662
Energy: 1.326416299352273
Energy: 0.9992216782918597
Energy: 0.9836557405483237
Energy: 0.9735047767660258
Energy: 1.0019978292450917
Energy: 1.0900078031195108
Energy: 1.3718975436455334
Energy: 0.9608893267414147
Energy: 0.9609306410248791
Energy: 1.2342416524789492
Energy: 1.1311268473874463
Energy: 0.965561224833953
Energy: 0.986701291343816
Energy: 0.960536648021259
Energy: 0.960385943663338
Energy: 0.9909487432519974
Energy: 0.9025129321480786
Energy: 1.0319225787848898
Energy: 1.028471330919887
Energy: 0.861507390500992
Energy: 0.8637618831583327
Energy: 1.0276448114107155
Energy: 0.8638520840902535
Energy: 0.8831721416326367
Energy: 1.2169527910675662
Energy: 0.9923269975271084
Energy: 0.8509361353968248
Energy: 0.8523154856918087
Energy: 0.9093146596075751
Energy: 0.8321062183141336
Energy: 1.2117245466803734
Energy: 0.8840634375061445
Energy: 0.9168464902090855
Energy: 0.9899904850972293
Energy: 0.892449503214114
Energy: 0.9231377988950888
Energy: 1.1898852894348708
Energy: 0.8826030632751297
Energy: 0.8956464281862647
Energy: 0.8439573352138064
Energy: 0.9919325338765703
Energy: 0.8925377447028398
Energy: 0.9184146418528207
Energy: 0.9674802919948193
Energy: 0.8351227220047959
Energy: 0.8728248551258585
Energy: 0.9643720439031969
Energy: 0.8844890766407616
Energy: 0.8815738520534181
Energy: 0.8903515321236558
Energy: 0.9443195945818308
Energy: 0.8836323788608224
Energy: 0.8907412013206092
Energy: 0.9388836202558823
Energy: 1.2220717002127903
Energy: 1.0082942261361851
Energy: 0.8293099047389498
Energy: 0.9188941386305931
Energy: 0.9693280258169902
Energy: 0.8657516784550947
Energy: 1.268861610707311
Energy: 1.0044551373110784
Energy: 1.0832130672991227
Energy: 1.203119841641162
Energy: 1.0851279005719487
Energy: 1.0805900895810332
Energy: 1.300493516404772
Energy: 1.0173962767358258
Energy: 1.0179705919675757
Energy: 1.1807994579116072
Energy: 1.1498265848749534
Energy: 0.9892383101569279
Energy: 1.2529025856192635
Energy: 0.9550315215408114
Energy: 0.9568973372377094
Energy: 1.2498015064109649
Energy: 0.9903158853190497
Energy: 1.0129275166504252
Energy: 1.5146962101331876
Energy: 1.0403509069932524
Energy: 1.2573163813003505
Energy: 1.4591120847244154
Energy: 1.0410408424760662
Energy: 1.2199024869291566
Energy: 1.2967759672146681
Energy: 0.9573952226648044
Energy: 1.078074500440499
Energy: 1.1975049200215666
Energy: 0.9635027910582934
Energy: 1.0080577468781924
Energy: 1.276171591612734
Energy: 1.0445932368595952
Energy: 1.1183486206558328
Energy: 1.3138248110260948
Energy: 1.240641783930833
Energy: 1.1187816687230805

minimum gb energy = 0.8293099047389498 eV
minimum distance =  2.37319348672734 Angstroms
sigma value = 17


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

Energy: 1.9717207363942413
Energy: 1.128367370930019
Energy: 0.9762173639719013
Energy: 1.1502396579995056
Energy: 1.4192533549641382
Energy: 1.0105606194741996
Energy: 1.4198877154698668
Energy: 1.0713952225059313
Energy: 1.1250526231344582
Energy: 1.1510407554192763
Energy: 1.201730261241049
Energy: 1.0613187586456563
Energy: 1.2986868827363238
Energy: 0.9354728391567394
Energy: 0.99950957424062
Energy: 1.1488920620807292
Energy: 1.1710856177857427
Energy: 1.0039627578110362
Energy: 1.0554747282952743
Energy: 1.0242281799413036
Energy: 0.9843053098722345
Energy: 1.0507366186274454
Energy: 1.19068128863587
Energy: 1.0005844126371977
Energy: 1.1849113073971105
Energy: 0.9218351827291865
Energy: 0.9403813971971218
Energy: 1.0732232656917344
Energy: 0.9585263706854448
Energy: 0.9297902390310839
Energy: 1.0265596578323648
Energy: 0.9542195190361166
Energy: 0.943317307453587
Energy: 0.9284365229495871
Energy: 0.921771846123593
Energy: 0.9004942970806188
Energy: 1.161848166115213
Energy: 0.9292985718448853
Energy: 0.9688465334026188
Energy: 1.1480907899466093
Energy: 0.9281746851059663
Energy: 0.9738229900150894
Energy: 1.1789583246224506
Energy: 0.8340660387126893
Energy: 0.8838268480850326
Energy: 0.9974183176039312
Energy: 0.8149909577362721
Energy: 0.864352855480811
Energy: 0.8953987410296009
Energy: 0.9459659462143967
Energy: 0.9472281748342236
Energy: 0.882429438948291
Energy: 1.0591048288503677
Energy: 0.9258706310389784
Energy: 0.8796086895112194
Energy: 0.8777766163972196
Energy: 0.8786626462340289
Energy: 0.8778417155618636
Energy: 0.8826252515592464
Energy: 0.9147351227673096
Energy: 1.2012629429392117
Energy: 0.9258329270077982
Energy: 0.8353511282023768
Energy: 0.8847037485215289
Energy: 0.8670878215515048
Energy: 0.845538316901831
Energy: 1.0984940180246316
Energy: 0.8749935461169496
Energy: 0.9004662835895463
Energy: 1.096473797779987
Energy: 0.881692157667866
Energy: 0.893589454695847
Energy: 0.9862709800055891
Energy: 0.9641457938482985
Energy: 0.925366567509552
Energy: 1.1293517291093504
Energy: 0.9613382068680003
Energy: 0.9291948692331728
Energy: 0.9182890830803064
Energy: 0.9568104883642353
Energy: 0.9801188375838424
Energy: 0.9248601949657086
Energy: 1.1187596826386796
Energy: 0.9660264423904216
Energy: 0.9274647002834816
Energy: 0.8750770712112255
Energy: 0.8691544052327621
Energy: 0.9304289618664466
Energy: 0.8748893825674293
Energy: 0.9616442913516761
Energy: 1.2306901226710585
Energy: 1.1518566779028334
Energy: 0.9422252828127129
Energy: 0.9267239318236818
Energy: 1.1257485721896898
Energy: 0.9316079862179732
Energy: 1.1841160722497523
Energy: 1.0887416177930835
Energy: 1.1338661212713796
Energy: 1.1794002597571478
Energy: 1.0717868244064048
Energy: 0.9426160433047505
Energy: 1.1638502371914186
Energy: 1.0640847884942315
Energy: 1.0678701271371978
Energy: 1.1798218453533864
Energy: 1.0536129145372701
Energy: 0.9460011871000884
Energy: 1.2027702060227137
Energy: 1.021619400015766
Energy: 1.0818726893450534
Energy: 1.2086482266887872
Energy: 1.3212762682544692
Energy: 0.9702013463665038
Energy: 1.4468351112305182
Energy: 1.1204890008824517
Energy: 0.9810740202051202
Energy: 1.4433190411831256
Energy: 0.9606479126782442
Energy: 1.121473624243053
Energy: 1.3090841887785158
Energy: 1.115928844607346
Energy: 1.157053035017513
Energy: 1.2535648089488212
Energy: 1.1156977578721836
Energy: 1.0800105156632092
Energy: 1.1590434928844424
Energy: 1.1365068254112856
Energy: 1.0223933324960546
Energy: 1.233308669352246
Energy: 1.3322052173401588
Energy: 0.9562528139492873
Energy: 1.1581035480831974
Energy: 1.183262188532493
Energy: 1.1273785087391595
Energy: 1.1612124946931528
Energy: 1.1779287262296705
Energy: 1.1010762084549988
Energy: 1.2907902772375324
Energy: 1.2352393969620579
Energy: 1.1251433859346696
Energy: 1.092948810324085
Energy: 1.1971109353633398
Energy: 1.0806038699530351
Energy: 1.0637722039140658
Energy: 0.9689727072621835
Energy: 0.9770593762335683
Energy: 1.0725683024887172
Energy: 0.9273771982202943
Energy: 0.9536503467513057
Energy: 1.0594464686061573
Energy: 0.9289426207430019
Energy: 0.9125765732853509
Energy: 1.0292858528864839
Energy: 1.0967780022410847
Energy: 1.032520725692862
Energy: 1.0221434527723547
Energy: 1.0591832103070544
Energy: 1.0631423595211962
Energy: 0.9276315657455018
Energy: 1.096016688033
Energy: 0.9500472916816782
Energy: 1.1436360080190477
Energy: 0.9430603010020415
Energy: 0.9210104978859771
Energy: 1.1234871424085395
Energy: 0.9356289067171899
Energy: 0.9461428127349558
Energy: 1.260000864723008
Energy: 0.8705956966175388
Energy: 0.8887013985223575
Energy: 0.9673639884786644
Energy: 0.928915450481356
Energy: 0.9227613262176843
Energy: 0.8994025505985636
Energy: 0.9099747740223515
Energy: 0.9413132355801663
Energy: 0.870135181051368
Energy: 0.8199959773785404
Energy: 0.9570691492156781
Energy: 0.8850803114968905
Energy: 0.8536982029934006
Energy: 0.8533026149519606
Energy: 0.8825516469876679
Energy: 1.1038447561564315
Energy: 0.9260589775496793
Energy: 1.1583410667373966
Energy: 0.9044195266588063
Energy: 0.9161090778177401
Energy: 0.9432572683895962
Energy: 0.9493113793265239
Energy: 0.887303546649115
Energy: 1.0983395163650127
Energy: 0.882853065571435
Energy: 0.884280255400585
Energy: 1.0975858464080326
Energy: 0.8893589613534825
Energy: 0.8793340553587646
Energy: 1.5820325614056736
Energy: 0.9726015288523551
Energy: 0.9786418379900215
Energy: 0.9329805853860441
Energy: 0.8926718465527526
Energy: 0.9882008662448325
Energy: 1.0103101301635253
Energy: 0.8442309698762497
Energy: 0.8546802993469351
Energy: 0.92965568494632
Energy: 0.8997441513185497
Energy: 0.8899011026747213
Energy: 0.9577309016493123
Energy: 0.9175949838771895
Energy: 0.9841923398060766
Energy: 0.9220010153290493
Energy: 1.0060971363639784
Energy: 0.9408717094477278
Energy: 1.2326076971413118
Energy: 0.9349561579102128
Energy: 0.9335547419724758
Energy: 1.0845589694191882
Energy: 1.1321569738018955
Energy: 0.9678009872328702
Energy: 1.1382231839933323
Energy: 1.115034390315047
Energy: 1.067095493393494
Energy: 1.2278168012946395
Energy: 1.100886815293119
Energy: 1.1070420075588676
Energy: 1.122156491073468
Energy: 1.2690443408219674
Energy: 0.9885243111641867
Energy: 0.9564325072870696
Energy: 1.284747748653663
Energy: 0.9782566723701257
Energy: 1.2697436203685932
Energy: 1.0427405981819082
Energy: 1.1066017881818393
Energy: 1.2416527260647858
Energy: 1.0684573444085717
Energy: 1.0502124869608627
Energy: 1.3268820775545045
Energy: 0.9745281512890982
Energy: 1.2076303611225228
Energy: 1.3210767270573773
Energy: 0.9689215582673996
Energy: 1.0646989001198608
Energy: 1.3667173232161953
Energy: 1.1580414838642688
Energy: 1.0300687206518844
Energy: 1.1540515440186256
Energy: 1.162398542733139
Energy: 1.0872580760268107
Energy: 1.2075927485608888
Energy: 1.0222404905552687
Energy: 0.9848191560695035
Energy: 1.1610598511329895
Energy: 1.1178517840641062
Energy: 1.1395409925297266

minimum gb energy = 0.8149909577362721 eV
minimum distance =  2.27990343651127 Angstroms
sigma value = 57


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

Energy: 1.7983521363597752
Energy: 0.9778982622980382
Energy: 0.9170777551116418
Energy: 0.8703128908959282
Energy: 1.3014147058120613
Energy: 0.9189409434553267
Energy: 1.2584254302721887
Energy: 0.9799501914087806
Energy: 0.9484568483486486
Energy: 1.0515207232400714
Energy: 1.1231685697672547
Energy: 0.9575116091897201
Energy: 1.187134219801204
Energy: 0.8536365410087683
Energy: 0.8577024791412189
Energy: 1.186799456983622
Energy: 1.0506171011145327
Energy: 0.9144064390587772
Energy: 1.0024592423257104
Energy: 0.8538363731695304
Energy: 0.8946828375708804
Energy: 0.9920970351604954
Energy: 1.0886301250663941
Energy: 0.9027789332523929
Energy: 0.9972480690322615
Energy: 0.8007264766527731
Energy: 0.8040508212953077
Energy: 1.0016981961557894
Energy: 0.8933198903202176
Energy: 0.8080634293739317
Energy: 1.0904781412273523
Energy: 0.8556627846266516
Energy: 0.8988698879927818
Energy: 0.8233293170059085
Energy: 0.841955902820807
Energy: 0.8483309663307033
Energy: 1.052189636744982
Energy: 0.8194642191066522
Energy: 0.8270919503944204
Energy: 1.0383742250764705
Energy: 0.8164878651042426
Energy: 0.8869640183059357
Energy: 1.0526574153544255
Energy: 0.8331119887639811
Energy: 0.8305182732880649
Energy: 0.9564009423391435
Energy: 0.8229365587480305
Energy: 0.8467217122460315
Energy: 0.7524130585921598
Energy: 0.8767355478785177
Energy: 0.7903996707815125
Energy: 0.7541630178728385
Energy: 1.0141745744771389
Energy: 0.7961963067547498
Energy: 0.7723678122932399
Energy: 0.7342604849855185
Energy: 0.6942191934194618
Energy: 0.756237978148716
Energy: 0.7501864216729028
Energy: 0.7151048390488127
Energy: 1.016978298848547
Energy: 0.7383013917616302
Energy: 0.8045064442099487
Energy: 0.6967163272482481
Energy: 0.7407694644262526
Energy: 0.8244251664021861
Energy: 1.0421376058012242
Energy: 0.7382246152400589
Energy: 0.7627668332401923
Energy: 0.9412901828435819
Energy: 0.7364234726129357
Energy: 0.7972381933674536
Energy: 1.0150994777299225
Energy: 0.7993607114560823
Energy: 0.7033942192549903
Energy: 0.9631477152653947
Energy: 0.8100655529228205
Energy: 0.734108195689802
Energy: 0.7370551603197975
Energy: 0.7124867678103464
Energy: 0.8153721895260909
Energy: 0.7393791770645388
Energy: 0.9337062327509366
Energy: 0.7274233017549405
Energy: 0.7253424391115624
Energy: 0.8624928197658106
Energy: 0.8277776733884638
Energy: 0.7246943054508436
Energy: 0.7625077214843341
Energy: 0.820637371674188
Energy: 1.0219732600642981
Energy: 0.8158002043813001
Energy: 0.8268416664482129
Energy: 0.9363279235483137
Energy: 0.7689662112156463
Energy: 0.7066040566568637
Energy: 1.0911567966913853
Energy: 0.7586047491058658
Energy: 0.8090630152365182
Energy: 1.025480870272338
Energy: 0.7598468811798941
Energy: 0.7936143972775245
Energy: 0.8750619270301094
Energy: 0.8228490513906788
Energy: 0.7966666498177003
Energy: 1.0099112859464088
Energy: 0.8526592364186386
Energy: 0.8015081013239893
Energy: 0.8834947476357905
Energy: 1.0016713908815653
Energy: 0.8826626352401322
Energy: 0.8850651341368988
Energy: 1.0215873911641098
Energy: 0.8115625357144296
Energy: 1.098487671178984
Energy: 0.8404280349332826
Energy: 0.8437020135654079
Energy: 1.034620814634516
Energy: 0.8400959998378812
Energy: 0.9804983671234424
Energy: 1.171593916271965
Energy: 0.9864242591440067
Energy: 0.9827103397829926
Energy: 0.9332486420140194
Energy: 0.97552690980194
Energy: 0.8078114293334572
Energy: 1.0501211765836411
Energy: 1.0118920115429397
Energy: 0.8734838497077893
Energy: 1.0734752591532564
Energy: 0.9787191767589747
Energy: 0.8938272847029898
Energy: 1.0989739249745485
Energy: 0.9092226565787573
Energy: 0.9180499399911602
Energy: 1.0989804838497366
Energy: 0.9205495218559081
Energy: 0.9401517346005038
Energy: 1.1791074573561569
Energy: 1.177321507378075
Energy: 0.9553331822791671
Energy: 1.1401277099747502
Energy: 1.1574162277487376
Energy: 0.948767438155097
Energy: 1.3450641775634262
Energy: 0.8910516864867435
Energy: 0.9808615252690419
Energy: 1.3452005754506975
Energy: 0.8987646101298699
Energy: 1.0491948079643731
Energy: 1.2741432078830721
Energy: 0.9173510677409628
Energy: 0.9925329842353349
Energy: 1.1684437540373602
Energy: 1.0563929882894025
Energy: 0.9390202000027966
Energy: 0.9718592213674229
Energy: 1.0057433939306721
Energy: 0.9315301404683974
Energy: 0.8541694738767893
Energy: 1.2015144399441828
Energy: 0.935322555703782

minimum gb energy = 0.6942191934194618 eV
minimum distance =  2.31523709881799 Angstroms
sigma value = 43


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

Energy: 1.7064232701639217
Energy: 0.9330516877102888
Energy: 0.8001645020795182
Energy: 0.7289650036695021
Energy: 1.0107820491859665
Energy: 0.7534666905300579
Energy: 1.0476491415321232
Energy: 0.8439272260319296
Energy: 0.810012249811426
Energy: 0.8177175691019741
Energy: 0.957316769354016
Energy: 0.81219361789526
Energy: 1.050584779798358
Energy: 0.7068040067552585
Energy: 0.7343140075908547
Energy: 0.9100141170867501
Energy: 0.8681440867006849
Energy: 0.7237671724691861
Energy: 0.8474455886839942
Energy: 0.7345589855475708
Energy: 0.7365151287849961
Energy: 0.8473733051508572
Energy: 0.857350562399006
Energy: 0.7598997708479395
Energy: 0.8739409218493002
Energy: 0.7348585110793957
Energy: 0.6927760210425532
Energy: 0.8804515702770912
Energy: 0.768983041821836
Energy: 0.6943996083311059
Energy: 0.9312867188499045
Energy: 0.7244463424089169
Energy: 0.7383450521175606
Energy: 0.6892277356961553
Energy: 0.7172146934932594
Energy: 0.703087933699026
Energy: 0.8998417073814532
Energy: 0.7097147060702229
Energy: 0.7325238363178971
Energy: 0.9012887268600851
Energy: 0.7929857739931911
Energy: 0.7414541107847011
Energy: 0.9743623309798983
Energy: 0.6877784028584625
Energy: 0.7036837848539971
Energy: 0.977493878034436
Energy: 0.6881005591868551
Energy: 0.7037427084393452
Energy: 0.6651514920601271
Energy: 0.6688481933661058
Energy: 0.6960571403652764
Energy: 0.6650257465936568
Energy: 0.8689287357137847
Energy: 0.6566260092618939
Energy: 0.7444728169435126
Energy: 0.601528497948179
Energy: 0.6031233430736767
Energy: 0.7444394688175883
Energy: 0.6020506081747201
Energy: 0.6089284555290261
Energy: 0.8764002161798953
Energy: 0.6204308171520766
Energy: 0.662077603178988
Energy: 0.7258428629853637
Energy: 0.6199318617348812
Energy: 0.6875303631560894
Energy: 0.8656932901918567
Energy: 0.6290965647540061
Energy: 0.6328055415786057
Energy: 0.8539642761358185
Energy: 0.6289642681451153
Energy: 0.5804361147491836
Energy: 0.8632034039895036
Energy: 0.6794615420362555
Energy: 0.6842580562777988
Energy: 0.8330597999027963
Energy: 0.6796467383049672
Energy: 0.6895300693364341
Energy: 0.6113316175734402
Energy: 0.8588855727429681
Energy: 0.6208094328159605
Energy: 0.613143520847088
Energy: 0.8362520476434796
Energy: 0.6034382014414816
Energy: 0.6106140257125683
Energy: 0.6315775659143059
Energy: 0.627695333554231
Energy: 0.610253107852092
Energy: 0.593583303744757
Energy: 0.6292267067808406
Energy: 0.8784033306897628
Energy: 0.5955332006938807
Energy: 0.6707162033489106
Energy: 0.8440579973456205
Energy: 0.595697570860355
Energy: 0.6901634536147847
Energy: 0.891785220080367
Energy: 0.6012430637671776
Energy: 0.6017507177532612
Energy: 0.8319183357171793
Energy: 0.5963434873828488
Energy: 0.6270528125128708
Energy: 0.7817921395310832
Energy: 0.6623676661995286
Energy: 0.6016157201632875
Energy: 0.7861525102191285
Energy: 0.6237944882727786
Energy: 0.5668778108972435
Energy: 0.6109433282517722
Energy: 0.8803835689837924
Energy: 0.6098052119004218
Energy: 0.6052982459100836
Energy: 0.8610088626221454
Energy: 0.603814624731223
Energy: 0.8559739923426495
Energy: 0.6340227126963915
Energy: 0.6476846728633919
Energy: 0.7921261713871036
Energy: 0.6338862351345945
Energy: 0.6726330955810353
Energy: 0.887446628812461
Energy: 0.6152116569097799
Energy: 0.6152937500802118
Energy: 0.8769192180511695
Energy: 0.6063918604661418
Energy: 0.5663702447994683
Energy: 0.823457065285131
Energy: 0.6029545131903005
Energy: 0.6577537412516518
Energy: 0.8426765224521778
Energy: 0.6036205313849202
Energy: 0.6570484290410874
Energy: 0.6328433470278445
Energy: 0.597964077034984
Energy: 0.6356044419846753
Energy: 0.633195851303098
Energy: 0.69798380538606
Energy: 0.6110447868624239
Energy: 0.6286058453900197
Energy: 0.8548058720859164
Energy: 0.6535359629568156
Energy: 0.6233004882909747
Energy: 0.848412692609456
Energy: 0.6205807372439308
Energy: 0.9252301037825005
Energy: 0.684463046031095
Energy: 0.6967087048417309
Energy: 0.8776152558325357
Energy: 0.6843462969617804
Energy: 0.6948356889413695
Energy: 0.8881162701694643
Energy: 0.6629239401057262
Energy: 0.6631821938265722
Energy: 0.8448233627891688
Energy: 0.6671447335086395
Energy: 0.6018974567578858
Energy: 0.8823243368867029
Energy: 0.6543838912629771
Energy: 0.6769085812348316
Energy: 0.736203865735388
Energy: 0.6548095483077224
Energy: 0.6967090082351696
Energy: 0.7592437782444273
Energy: 0.6687806722101942
Energy: 0.6377637683846571
Energy: 0.8557797151112247
Energy: 0.6548251617408957
Energy: 0.5924828295040341
Energy: 0.7790115052224135
Energy: 0.6968961071048606
Energy: 0.7137900020058213
Energy: 0.7803530063401845
Energy: 0.8835048896139965
Energy: 0.7307429639080917
Energy: 0.9797174570108896
Energy: 0.6981954722213455
Energy: 0.7199146534953058
Energy: 0.982582878569109
Energy: 0.6977110161872275
Energy: 0.71530466744732
Energy: 0.9821409424391916
Energy: 0.7421912583572422
Energy: 0.8333738655121679
Energy: 0.8191645248592458
Energy: 0.9017827545147702
Energy: 0.8594534282556654
Energy: 0.9218313408364305
Energy: 0.7925369046090093
Energy: 0.7690119961227769
Energy: 0.6998551699927865
Energy: 0.8377662518473565
Energy: 0.7319033263414055
Energy: 0.8989006613784873
Energy: 0.7815976147086675
Energy: 0.7664871166953611
Energy: 0.9507820140393828
Energy: 0.8392381890361458
Energy: 0.833867452956266
Energy: 0.9839230427469685
Energy: 0.7634497367808764
Energy: 0.7617574217329117
Energy: 0.9919768025821707
Energy: 0.942402831535154
Energy: 0.8116638897524453
Energy: 1.0467877316629395
Energy: 0.725397893450207
Energy: 0.7595278720375899
Energy: 1.0562537981776416
Energy: 0.9518477107243791
Energy: 0.7519054018272706
Energy: 1.0500969451175235
Energy: 0.8431985185951205
Energy: 0.7794158685658865
Energy: 0.9802529720572036
Energy: 0.9597716171701126
Energy: 0.8310477664835838

minimum gb energy = 0.5663702447994683 eV
minimum distance =  2.31293717453263 Angstroms
sigma value = 81


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

Energy: 0.0070696246130866405
Energy: 0.04781243020351726
Energy: 0.008025543217958309
Energy: 0.009836044473262738
Energy: 0.15014872859956296
Energy: 0.00817364988789802
Energy: 0.04922561706031878
Energy: 0.008115882724247701
Energy: 0.008317615293385353
Energy: 0.04931214957826985
Energy: 0.010599281484744472
Energy: 0.008167231408684044
Energy: 0.047582134008231525
Energy: 0.007766970943463491
Energy: 0.007885033384195245
Energy: 0.04707383617849777
Energy: 0.007849651821245291
Energy: 0.15255515754653345
Energy: 0.011464841380858378
Energy: 0.007833137200651872
Energy: 0.1528404684034197
Energy: 0.009561272555771291
Energy: 0.007693290868446599
Energy: 0.04863955405173979
Energy: 0.048187047995878786
Energy: 0.04758589268685672
Energy: 0.04711671340184365
Energy: 0.04890893490683926
Energy: 0.047230890658294916
Energy: 0.048550575396002
Energy: 0.008497969515726757
Energy: 0.00818141338093855
Energy: 0.007450813763132928
Energy: 0.010145778242959827
Energy: 0.00804367732465038
Energy: 0.007782727692553988
Energy: 0.04960558577686785
Energy: 0.008425700419658618
Energy: 0.008411120532843836
Energy: 0.047176356844067936
Energy: 0.008074650998703695
Energy: 0.008189558794025312
Energy: 0.04698509102124173
Energy: 0.007697261193676941
Energy: 0.007949436903404496
Energy: 0.047096566271121035
Energy: 0.007718683813918893
Energy: 0.15235066753032941
Energy: 0.009058941535993428
Energy: 0.008028732278244003
Energy: 0.15237200854734376
Energy: 0.010932799116069574
Energy: 0.007903295114781108
Energy: 0.05021280549228311
Energy: 0.14658925994688612
Energy: 0.047371505859009684
Energy: 0.04759704230553683
Energy: 0.1467416015468252
Energy: 0.04727063819938025
Energy: 0.04737619815116076

minimum gb energy = 0.0070696246130866405 eV
minimum distance =  2.5552919382101 Angstroms
sigma value = 3


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

Energy: 1.7993741707540274
Energy: 1.2178971154174654
Energy: 0.9933818439611756
Energy: 0.779288619794927
Energy: 1.0997312380802244
Energy: 0.8028785421568736
Energy: 0.9865091436403919
Energy: 0.8394026073387076
Energy: 0.7701199590201384
Energy: 0.9255823291735733
Energy: 0.7755809920237992
Energy: 0.7892101605112408
Energy: 0.9825482309755218
Energy: 0.8621279751680129
Energy: 0.8713875131396209
Energy: 0.9831019890001915
Energy: 0.8816283894438638
Energy: 0.9237771785698367
Energy: 0.8299057503499051
Energy: 0.6659673989168354
Energy: 0.8360294123154379
Energy: 0.9686411551613043
Energy: 0.7629360717463161
Energy: 0.8662448005520287
Energy: 0.8714668479466967
Energy: 0.7433544258242802
Energy: 0.8058566508263397
Energy: 0.8817148764723689
Energy: 0.7752851649061462
Energy: 0.8211219307834353
Energy: 0.7137029747391563
Energy: 0.940777959336034
Energy: 0.7613356754379347
Energy: 0.7659539365339011
Energy: 0.9974854812814811
Energy: 0.7383272971044916
Energy: 0.7803143050585287
Energy: 0.7800590988622729
Energy: 0.8034942483555588
Energy: 0.7843085198059366
Energy: 0.7170165942936098
Energy: 0.904371563142081
Energy: 0.8645638557475785
Energy: 0.7329786074804996
Energy: 0.750186640806095
Energy: 0.865079085207185
Energy: 0.6766950684516724
Energy: 0.75007690681517
Energy: 0.8342410320550391
Energy: 0.7519730099168814
Energy: 0.7039112483840465
Energy: 0.8833238876288937
Energy: 0.8078147229557409
Energy: 0.756274073456636
Energy: 0.7389287951424207
Energy: 0.7367445920654813
Energy: 0.7368294034965518
Energy: 0.7834413270905493
Energy: 0.7194065576930746
Energy: 0.7415430074372259
Energy: 0.6912353245720606
Energy: 0.7986115529596807
Energy: 0.7422774269013553
Energy: 0.7247698471528967
Energy: 0.7897978042909602
Energy: 0.7147277690868238
Energy: 0.6642836716504839
Energy: 0.6987486673994814
Energy: 0.7755822263198219
Energy: 0.6550259457081568
Energy: 0.6901232588352197
Energy: 0.6639816775427612
Energy: 0.690315160902592
Energy: 0.6819747393571894
Energy: 0.7282727336809278
Energy: 0.7128222792095581
Energy: 0.6866040061368122
Energy: 0.6823281627981698
Energy: 0.6613598460296687
Energy: 0.7919909135088334
Energy: 0.7468019498706638
Energy: 0.6980722693784279
Energy: 0.7395201326241181
Energy: 0.743772941644693
Energy: 0.7329700175227167
Energy: 0.6656669576382968
Energy: 0.6626866042493698
Energy: 0.6825264118952447
Energy: 0.6178467055912393
Energy: 0.6627239914562111
Energy: 0.668024151776217
Energy: 0.7407771653576933
Energy: 0.7243748761733438
Energy: 0.7191150872320651
Energy: 0.7908437339638792
Energy: 0.7250674307830663
Energy: 0.6497694439310747
Energy: 0.6814409884645087
Energy: 0.7229091518035334
Energy: 0.6278237289356254
Energy: 0.6770829444612594
Energy: 0.6104337110325277
Energy: 0.6509471518001112
Energy: 0.6557836377695435
Energy: 0.6681743013647559
Energy: 0.6433552238043351
Energy: 0.6555450979861194
Energy: 0.6005570296094717
Energy: 0.6682660416435441
Energy: 0.8002479973184762
Energy: 0.8493656427057055
Energy: 0.6662386473808479
Energy: 0.7862943758415307
Energy: 0.703293486786818
Energy: 0.7174541414854266
Energy: 0.6301133825470016
Energy: 0.6290496607047718
Energy: 0.7189926799446621
Energy: 0.6020146201898292
Energy: 0.6291864606855881
Energy: 0.6531599635432339
Energy: 0.7053016213830927
Energy: 0.7040948708353302
Energy: 0.7922338652214339
Energy: 0.757145336580055
Energy: 0.7045203989602196
Energy: 0.6619434785738866
Energy: 0.6876295646358823
Energy: 0.7009710937155331
Energy: 0.6782700727261523
Energy: 0.7258074812971352
Energy: 0.6452755460529136
Energy: 0.6454882932923378
Energy: 0.6960754899419485
Energy: 0.7587050549831801
Energy: 0.6604359925309675
Energy: 0.6661571704755607
Energy: 0.8620597230011507
Energy: 0.6722629970889177
Energy: 0.711916147706037
Energy: 0.6623527873429393
Energy: 0.6808060227803286
Energy: 0.7120559369615861
Energy: 0.6996294868350761
Energy: 0.7463359452541786
Energy: 0.6883234446205786
Energy: 0.6883971466078148
Energy: 0.7274499382045843
Energy: 0.6678851576451867
Energy: 0.6580380084355575
Energy: 0.6609497009381247
Energy: 0.7432947553492149
Energy: 0.7143480465480321
Energy: 0.8008645982189264
Energy: 0.759175562880649
Energy: 0.7504600901512232
Energy: 0.7210179994801469
Energy: 0.7245137248938599
Energy: 0.7405733947729022
Energy: 0.7213857711056696
Energy: 0.7788863310258314
Energy: 0.7391706543112386
Energy: 0.7318376209027174
Energy: 0.8342025287120984
Energy: 0.7916920083815926
Energy: 0.7320052723386009
Energy: 0.8336537172748725
Energy: 0.7958610091702493
Energy: 0.6968800032322985
Energy: 0.8066993997944532
Energy: 0.7846095920450483
Energy: 0.7439567454681922
Energy: 0.8313238297306841
Energy: 0.7212878845219559
Energy: 0.8284083146606077
Energy: 0.7578968862285184
Energy: 0.7573704291126834
Energy: 0.830826754876336
Energy: 0.770466696238045
Energy: 0.8504873986525558
Energy: 0.994985142663837
Energy: 0.7297697729045723
Energy: 0.7564071424236846
Energy: 0.9965097863570037
Energy: 0.7357162427910212
Energy: 0.758167049918606
Energy: 1.032573044037769
Energy: 0.8192365038832307
Energy: 0.7647228525136279
Energy: 1.034453994094878
Energy: 0.7079291901163063
Energy: 0.7600184639936323
Energy: 0.8089654725695807
Energy: 0.8617026527870973
Energy: 0.852394526340345
Energy: 0.8565806818792678
Energy: 0.8891826448980928
Energy: 0.8398741310585494

minimum gb energy = 0.6005570296094717 eV
minimum distance =  2.2579048491059 Angstroms
sigma value = 67


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

Energy: 0.9173504615051399
Energy: 1.3237755589730156
Energy: 1.2373540288704048
Energy: 0.9137144981842413
Energy: 1.4481916717933143
Energy: 1.204684138561591
Energy: 1.18260656712888
Energy: 0.9404334196824259
Energy: 0.9870708321138726
Energy: 1.1255154978443966
Energy: 0.9346119072836632
Energy: 0.9941405877782414
Energy: 1.1901916352964923
Energy: 1.046424264046195
Energy: 1.144430260741283
Energy: 1.1195885706353361
Energy: 1.0796649151909534
Energy: 1.1247066880345107
Energy: 1.1625618493003778
Energy: 1.1466687734142837
Energy: 1.1502568011385061
Energy: 0.9233621958027716
Energy: 1.1076305252157965
Energy: 1.1291571499728066
Energy: 1.1370319999300451
Energy: 0.9286586980476186
Energy: 0.9750617667472925
Energy: 1.1655114428840219
Energy: 0.9304466548848787
Energy: 0.9538926598683801
Energy: 0.8794388522047794
Energy: 1.1238574991421504
Energy: 1.1145221310313307
Energy: 1.056375305795796
Energy: 1.1692461852117595
Energy: 1.0434369725441417
Energy: 0.9276598104559941
Energy: 1.0008639274911755
Energy: 1.0011488949495442
Energy: 0.8870535227633498
Energy: 1.0752675713723125
Energy: 0.99353478109621
Energy: 1.0150618342916347
Energy: 0.9003035815633854
Energy: 0.8828224076275494
Energy: 0.9420237502036081
Energy: 0.8981539155303677
Energy: 0.9332604670065182
Energy: 0.9927779382639632
Energy: 1.0141923414651495
Energy: 0.9557406687507576
Energy: 0.9424027787826148
Energy: 1.0125562930311724
Energy: 0.9495878913174522
Energy: 0.8672213507962236
Energy: 0.8559751609710374
Energy: 0.8517875095543248
Energy: 0.8697986516159659
Energy: 0.8304831616520397
Energy: 0.8577601941329065
Energy: 0.8641551019110962
Energy: 0.9330478677972914
Energy: 0.8971360330228201
Energy: 0.8969052858256104
Energy: 0.980783969230887
Energy: 0.897346423424665
Energy: 0.8296590492643843
Energy: 0.844246646026966
Energy: 0.8848345576846662
Energy: 0.8238185962466358
Energy: 0.846616454573799
Energy: 0.8862639094648287
Energy: 0.8546853270895046
Energy: 0.882356406074984
Energy: 0.8797876675122063
Energy: 0.8529329099471901
Energy: 0.8849053320606545
Energy: 0.8860672092358753
Energy: 0.8309702992392007
Energy: 0.9523721895412373
Energy: 0.9497874300314165
Energy: 0.8745130489432426
Energy: 0.965771020361902
Energy: 0.8857526845750066
Energy: 0.8666744424171824
Energy: 0.8081561509802391
Energy: 0.7951807351969685
Energy: 0.8690301755916909
Energy: 0.8043598213982589
Energy: 0.798338415507021
Energy: 0.9311959289973406
Energy: 1.0627081143483779
Energy: 0.8999212375105793
Energy: 0.8291167246861588
Energy: 0.9631229986481807
Energy: 0.895834979685262
Energy: 0.8818421384939468
Energy: 0.8786457287625569
Energy: 0.8710127222691225
Energy: 0.8800939842609323
Energy: 0.8603169512058043
Energy: 0.8888950617895323
Energy: 0.8715837507356986
Energy: 0.9343430146686196
Energy: 0.9948988801712071
Energy: 0.8570723764701148
Energy: 0.9356622385962778
Energy: 1.034854916205427
Energy: 0.85303136849418
Energy: 1.066068825077945
Energy: 0.9970913269463055
Energy: 0.9045296244146344
Energy: 1.0540485858599584
Energy: 0.9059328399841026
Energy: 0.9550440398221616
Energy: 0.8904443125040317
Energy: 0.8897974295496832
Energy: 0.9659797922047735
Energy: 0.9101623716225863
Energy: 0.8928695856192937
Energy: 1.1985370329768272
Energy: 0.9963881242717461
Energy: 1.0014810993728478
Energy: 0.9489335509664069
Energy: 0.9750227267760295
Energy: 0.9852846519041107
Energy: 1.107184623886257
Energy: 0.9190122038529687
Energy: 0.9923110230589366
Energy: 1.096636186575413
Energy: 0.955108545128266
Energy: 0.9728488142535245
Energy: 1.1866975222403429
Energy: 0.9851558782523734
Energy: 0.9943521373925723
Energy: 1.1151430099549167
Energy: 1.053409171961346
Energy: 0.9705072792306115

minimum gb energy = 0.7951807351969685 eV
minimum distance =  2.29927170410023 Angstroms
sigma value = 33


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

Energy: 1.832036899534384
Energy: 1.4541596657924485
Energy: 1.4891629152786168
Energy: 1.1550971992801835
Energy: 1.5935265210870304
Energy: 1.1596341871675635
Energy: 1.2027550445456674
Energy: 1.0551692025576929
Energy: 1.1481559071815683
Energy: 1.177780932335222
Energy: 1.0445539412431106
Energy: 1.2057474017929364
Energy: 1.354468005336864
Energy: 1.2345659857927567
Energy: 1.2191954562593097
Energy: 1.183025946559927
Energy: 1.2154908672740161
Energy: 1.264069684169289
Energy: 1.0244625294770127
Energy: 1.2286736198466146
Energy: 1.2284514500131654
Energy: 1.1635798879830708
Energy: 1.286953060599818
Energy: 1.2317571903800202
Energy: 1.2942933286507996
Energy: 1.0339180990398453
Energy: 1.0288041247696986
Energy: 1.1932136377699003
Energy: 1.1327895338399128
Energy: 1.0347838017864466
Energy: 1.0021445168814147
Energy: 1.2415952877706664
Energy: 1.091889040679738
Energy: 1.013680860241538
Energy: 1.244932725174624
Energy: 1.0617104779887307
Energy: 0.9709119432874963
Energy: 1.109468212777075
Energy: 1.2023831947134591
Energy: 0.9714125056163659
Energy: 1.1176554422775782
Energy: 0.9949512787059565
Energy: 1.032467869238893
Energy: 1.0044737962972934
Energy: 0.9940468489969838
Energy: 1.0341855098133095
Energy: 1.004261804719375
Energy: 1.0114176749119685
Energy: 1.0416056889261474
Energy: 1.092157076747303
Energy: 1.018160159663953
Energy: 1.06451634648717
Energy: 1.1145033641334312
Energy: 1.007499438816052
Energy: 0.9486444890262641
Energy: 1.009334917201644
Energy: 0.9701479096344601
Energy: 0.9193792295215516
Energy: 0.9637253450834874
Energy: 0.9661409743365839
Energy: 0.9502502772077874
Energy: 1.0618464060796742
Energy: 1.0814151243326233
Energy: 0.9465291197866234
Energy: 1.0811052952000544
Energy: 0.9795415150728519
Energy: 0.9895875388209187
Energy: 0.9630665851588144
Energy: 0.9530302910981446
Energy: 0.9911213482396992
Energy: 0.9629530960768333
Energy: 0.9847488738486249
Energy: 0.9585383773128522
Energy: 1.0026903276184622
Energy: 1.0046909314493546
Energy: 0.9396658940053645
Energy: 1.0199464873818291
Energy: 0.9610134931982947
Energy: 0.9586242496400775
Energy: 1.0954679725282959
Energy: 1.0991845304636771
Energy: 0.9597843355279325
Energy: 1.0909171081890312
Energy: 0.981793101781087
Energy: 1.0173855133185632
Energy: 1.0190403013867975
Energy: 0.9778054815863558
Energy: 1.0123362810489713
Energy: 1.0090843622315386
Energy: 0.9899868815601123
Energy: 1.072656651315969
Energy: 1.1149169628662583
Energy: 1.0540050087088595
Energy: 1.0725372824441801
Energy: 1.1433039123499638
Energy: 1.1042135685660732
Energy: 1.1677642408202
Energy: 1.045295723450075
Energy: 1.0370672780962165
Energy: 1.1700020766900665
Energy: 1.083780894839867
Energy: 1.02941152161932
Energy: 1.2005062323085613
Energy: 1.1564008174129445
Energy: 1.18919168469707
Energy: 1.0791552791676209
Energy: 1.0864781569381732
Energy: 1.2069197264548435
Energy: 1.0317633075389105
Energy: 1.2369648408426805
Energy: 1.4431264866863343
Energy: 1.0491896558330214
Energy: 1.287326378233464
Energy: 1.1150313005106558
Energy: 1.4307255783514718
Energy: 1.044612699790895
Energy: 1.0419149135772516
Energy: 1.3040025358267375
Energy: 1.134148704027721
Energy: 1.0469801475027234
Energy: 1.2460356057464133
Energy: 1.2189839428733555
Energy: 1.2192287637594703
Energy: 1.2473430027456047
Energy: 1.1834695573989211
Energy: 1.2228720982561847
Energy: 1.163308293724477
Energy: 1.2492995201403538
Energy: 1.2287945969464276
Energy: 1.1649180973025068
Energy: 1.2994750580641228
Energy: 1.2327489267488057
Energy: 1.2860165620714898
Energy: 1.0346409711496674
Energy: 1.02973780346981
Energy: 1.1590595807441506
Energy: 1.0445330833984103
Energy: 1.1938500801074323
Energy: 1.6894963235538591
Energy: 1.299911799667207
Energy: 1.3042090050830437
Energy: 1.1146890344503855
Energy: 1.2979778024434099
Energy: 1.1796243810699143
Energy: 1.2292513414129784
Energy: 1.129089328224753
Energy: 1.1960354536263527
Energy: 1.1219871316586925
Energy: 1.0878363306384946
Energy: 1.0793618558666893
Energy: 1.0319524802205555
Energy: 1.0063772644956195
Energy: 0.9934035318430127
Energy: 1.0325642263541959
Energy: 1.0334988130910945
Energy: 1.0794788658555943
Energy: 1.092190088738351
Energy: 1.0138930380995326
Energy: 1.01684451943762
Energy: 1.0629838299969807
Energy: 1.0803637835955102
Energy: 1.0062548114965808
Energy: 0.9496099636242378
Energy: 0.9744666308393767
Energy: 0.9702239663330201
Energy: 0.96109051301839
Energy: 0.9285749705526913
Energy: 0.9660788682623899
Energy: 0.9468263396590444
Energy: 1.05719047060518
Energy: 1.0796120928566038
Energy: 0.9647220075790697
Energy: 1.0505663270609902
Energy: 0.9823784887806201
Energy: 0.9925458433591924
Energy: 1.0149336517801075
Energy: 1.0413873948651953
Energy: 0.9944051203741257
Energy: 0.9607672432269623
Energy: 1.0416744981486807
Energy: 0.9411510516439745
Energy: 1.0045097435087469
Energy: 1.001548578690869
Energy: 0.9435997498871442
Energy: 1.000629146258698
Energy: 0.9511301177933035
Energy: 0.9637659783116718
Energy: 1.0959380433014536
Energy: 1.0243605542314904
Energy: 1.0069013529033033
Energy: 1.0886662729367789
Energy: 0.9799253224660516
Energy: 1.0094526310127117
Energy: 1.0342069302448513
Energy: 0.9949000863126559
Energy: 0.9912074124067028
Energy: 1.0213829885331813
Energy: 0.9983322732002008
Energy: 1.07111693832693
Energy: 1.156128697582734
Energy: 1.1347919534251196
Energy: 1.1077682376250317
Energy: 1.1353013577721103
Energy: 1.1233658040675818
Energy: 1.3642434668851724
Energy: 1.0470942069352762
Energy: 1.0373436821892459
Energy: 1.1724791706078703
Energy: 0.9604274348843763
Energy: 1.0753042280686524
Energy: 1.2001446938372566
Energy: 1.1639916278826405
Energy: 1.207569864743283
Energy: 1.2029432992254188
Energy: 1.1629384790052562
Energy: 1.1246107909915328
Energy: 1.0362657205477124
Energy: 1.2544000133538844
Energy: 1.423052533074464
Energy: 1.0856502960922498
Energy: 1.2407975071940311
Energy: 1.0379619234832587

minimum gb energy = 0.9193792295215516 eV
minimum distance =  2.32342304370821 Angstroms
sigma value = 41


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

Energy: 1.6591436890961666
Energy: 1.4037875805260605
Energy: 1.4556997329662371
Energy: 1.236252196328924
Energy: 1.6426400141176285
Energy: 1.4441835435140886
Energy: 1.3316751467470918
Energy: 1.2251393027471271
Energy: 1.3402023709459714
Energy: 1.281808680637284
Energy: 1.3221427497252933
Energy: 1.324112398482111
Energy: 1.5468075685890135
Energy: 1.2066829495166849
Energy: 1.4163724574347045
Energy: 1.5480207204646428
Energy: 1.2093545789049882
Energy: 1.410629381874807
Energy: 1.5105903656575566
Energy: 1.3841828436376034
Energy: 1.3851530730330237
Energy: 1.2154184666245123
Energy: 1.4984766236697733
Energy: 1.3877255752203839
Energy: 1.2055178682341448
Energy: 1.215733206828746
Energy: 1.1864299253721333
Energy: 1.2470422816769446
Energy: 1.2380839830135422
Energy: 1.1874178664129118
Energy: 1.5226860416795156
Energy: 1.2852216478417828
Energy: 1.3048008094219141
Energy: 1.230486158245288
Energy: 1.2667852060291578
Energy: 1.2689129693125905
Energy: 1.2181313987414248
Energy: 1.2725317819672612
Energy: 1.2476164593538528
Energy: 1.219608256813787
Energy: 1.263667606261881
Energy: 1.1669068548453378
Energy: 1.1388024910350423
Energy: 1.2508343636466968
Energy: 1.224779395840579
Energy: 1.1384566467464672
Energy: 1.2523411247596643
Energy: 1.185689965281214
Energy: 1.086305489029314
Energy: 1.1920349862517354
Energy: 1.1803455557581692
Energy: 1.1420017512126446
Energy: 1.211572955270644
Energy: 1.1156448862208024
Energy: 1.3434303033783004
Energy: 1.1261061600308457
Energy: 1.0731826135906046
Energy: 1.204730260758075
Energy: 1.1116315982600293
Energy: 1.0433009979739274
Energy: 1.076328889874889
Energy: 1.3000228177662363
Energy: 1.2994592831109495
Energy: 1.1172395215553137
Energy: 1.2273154190513154
Energy: 1.2928219001485868
Energy: 1.2750117662287164
Energy: 1.2411196676746266
Energy: 1.1610352688201908
Energy: 1.2764687866633302
Energy: 1.2059303187728032
Energy: 1.1644271985103065
Energy: 1.3100170233726174
Energy: 1.2976941435356706
Energy: 1.283963062871105
Energy: 1.092602060468286
Energy: 1.2623979931357394
Energy: 1.2453385491971678
Energy: 1.1662158954561002
Energy: 1.307819391623404
Energy: 1.407140006387843
Energy: 1.23315605901798
Energy: 1.2879373414664352
Energy: 1.4058468300784543

minimum gb energy = 1.0433009979739274 eV
minimum distance =  2.2815514431658 Angstroms
sigma value = 11


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

Energy: 2.0012742607679312
Energy: 1.7547353041276892
Energy: 1.6793370583738747
Energy: 1.573328161700092
Energy: 1.9803859395882841
Energy: 1.576172000702518
Energy: 1.4236237639159504
Energy: 1.2926949810705206
Energy: 1.3613929226099144
Energy: 1.3913859642612245
Energy: 1.3322848136940904
Energy: 1.3743486176742878
Energy: 1.5171589806788734
Energy: 1.409779259597948
Energy: 1.4170350674416716
Energy: 1.5182197964381985
Energy: 1.463178279656309
Energy: 1.4363561995146108
Energy: 1.4588317471854684
Energy: 1.3969168197573996
Energy: 1.3379346808346806
Energy: 1.3800478574769124
Energy: 1.3892058207979938
Energy: 1.3418958987052885
Energy: 1.4378370251444208
Energy: 1.2679527142734832
Energy: 1.2519893161293099
Energy: 1.4137110163995272
Energy: 1.2792353019910834
Energy: 1.2513841704124264
Energy: 1.4646619856948833
Energy: 1.3224137079667162
Energy: 1.3446993123842819
Energy: 1.3477438826071826
Energy: 1.3104082734593305
Energy: 1.3537038625157678
Energy: 1.3432084917297276
Energy: 1.3345415519662012
Energy: 1.3269428153971223
Energy: 1.3053145064889582
Energy: 1.3246909384310994
Energy: 1.2819456926183912
Energy: 1.3165860046532287
Energy: 1.3379694529286352
Energy: 1.3033785172308905
Energy: 1.2992388389037455
Energy: 1.3906678860070472
Energy: 1.2471282357112619
Energy: 1.44063189525117
Energy: 1.4279922359855848
Energy: 1.4252990027772907
Energy: 1.454736462423862
Energy: 1.4015896569436193
Energy: 1.401006063086381
Energy: 1.4842245531960965
Energy: 1.4208855037760684
Energy: 1.3976142013495452
Energy: 1.4903105000721248
Energy: 1.4363987668379437
Energy: 1.4590520890198653
Energy: 1.3220798304823373
Energy: 1.37000207220776
Energy: 1.36387579933006
Energy: 1.3242992371383917
Energy: 1.34321456835027
Energy: 1.3530547063677465
Energy: 1.560530786099382
Energy: 1.540241569096066
Energy: 1.5370348984065139
Energy: 1.4730877946331857
Energy: 1.4866138754042326
Energy: 1.572255631391013
Energy: 1.3814811323855358
Energy: 1.3542326473001727
Energy: 1.3636841492496723
Energy: 1.383500312484589
Energy: 1.3628000252454349
Energy: 1.3999080615716841
Energy: 1.4899301719812383
Energy: 1.429241210735799
Energy: 1.4474797574552745
Energy: 1.3863848987683272
Energy: 1.4004988020720834
Energy: 1.410326288588652
Energy: 1.4022890906389975
Energy: 1.3189506008937115
Energy: 1.3210575739862336
Energy: 1.3972935695496247
Energy: 1.3772242816299907
Energy: 1.341521889423981
Energy: 1.2694695896593648
Energy: 1.2348186759159887
Energy: 1.2348123545733571
Energy: 1.2491218936917814
Energy: 1.3730859887883595
Energy: 1.236966323006961
Energy: 1.3628719949943278
Energy: 1.261041940847637
Energy: 1.3366382167446778
Energy: 1.3581304192868637
Energy: 1.3462137436014698
Energy: 1.324673908150541
Energy: 1.6471288098755643
Energy: 1.368467949815128
Energy: 1.383426735284299
Energy: 1.3601642714625266
Energy: 1.3370523155630856
Energy: 1.334403866695284
Energy: 1.3581414875213047
Energy: 1.3276851657908606
Energy: 1.285556779897387
Energy: 1.354032354712116
Energy: 1.330175848819187
Energy: 1.3204342279796404
Energy: 1.5114021537091553
Energy: 1.4428442181201981
Energy: 1.4713423553648848
Energy: 1.5114095345488303
Energy: 1.4354799991174945
Energy: 1.583541436263819
Energy: 1.4873309494894142
Energy: 1.4267477251473077
Energy: 1.3310114658695995
Energy: 1.4493415137578725
Energy: 1.4754846816221603
Energy: 1.3444162232871935
Energy: 1.4657619844379401
Energy: 1.3790847443294143
Energy: 1.3089612149314853
Energy: 1.3491809867778037
Energy: 1.3969001305424398
Energy: 1.3186626450641517
Energy: 1.5406921328267147
Energy: 1.3894563376265536
Energy: 1.533048218878005
Energy: 1.4976518358148645
Energy: 1.4540044001835193
Energy: 1.5373149977862652
Energy: 1.342635335510511
Energy: 1.3729323570330432
Energy: 1.340102180711145
Energy: 1.34287602041468
Energy: 1.3430832776428034
Energy: 1.2725432219648096
Energy: 1.355160564016033
Energy: 1.377990054731051
Energy: 1.3785961677462444
Energy: 1.317575736766455
Energy: 1.3333612137123962
Energy: 1.3775831938279766
Energy: 1.3010754848188353
Energy: 1.340316351129529
Energy: 1.3549250759737597
Energy: 1.3467876210119383
Energy: 1.335924721373733
Energy: 1.2793113208766946
Energy: 1.4375691171467884
Energy: 1.296498312038323
Energy: 1.2845058921526114
Energy: 1.3693051969038659
Energy: 1.261173870798095
Energy: 1.2832548710698735
Energy: 1.3675168719923234
Energy: 1.402530977186775
Energy: 1.4019932650775822
Energy: 1.2999241697206332
Energy: 1.39884435875698
Energy: 1.3451473849870703
Energy: 1.4178430382778606
Energy: 1.3967356727815243
Energy: 1.3965591879638202
Energy: 1.39870093383569
Energy: 1.340783992305574
Energy: 1.3999697045019264
Energy: 1.4845506400976776
Energy: 1.3615291603742063
Energy: 1.3803157785876996
Energy: 1.4020720513082028
Energy: 1.2968167671666189
Energy: 1.360869061117725
Energy: 1.638688453735616
Energy: 1.5019125462284741
Energy: 1.619874279515011
Energy: 1.571326913679689
Energy: 1.4255392536930829
Energy: 1.597734876894329

minimum gb energy = 1.2348123545733571 eV
minimum distance =  2.28934337596384 Angstroms
sigma value = 57


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

Energy: 1.7836867097149594
Energy: 1.387299701914862
Energy: 1.4567639521665858
Energy: 1.4180322577392588
Energy: 1.8701572854399808
Energy: 1.42252842326017
Energy: 1.497220862582614
Energy: 1.3288065384387138
Energy: 1.330325614539182
Energy: 1.3350403874589747
Energy: 1.3854141212237931
Energy: 1.2931967051205178
Energy: 1.4414313154235978
Energy: 1.339998240603571
Energy: 1.3513979070608273
Energy: 1.4417767608994878
Energy: 1.4007763374461015
Energy: 1.3497285439131435
Energy: 1.3486618342595402
Energy: 1.3272474680369986
Energy: 1.307280953286673
Energy: 1.3262863184015297
Energy: 1.433444372490239
Energy: 1.3236055430980043
Energy: 1.4258427241395626
Energy: 1.3818575339366332
Energy: 1.3407219587294852
Energy: 1.4477491857905131
Energy: 1.3675495611850685
Energy: 1.340532608954623
Energy: 1.4298921434741352
Energy: 1.394949145878622
Energy: 1.3934655711465176
Energy: 1.3716679639214777
Energy: 1.3540923910675402
Energy: 1.3878708170768643
Energy: 1.4273135916222504
Energy: 1.344268796650537
Energy: 1.3661852501828906
Energy: 1.4277832129678074
Energy: 1.3468546172505365
Energy: 1.363728691932572
Energy: 1.597616570314998
Energy: 1.3693628695568223
Energy: 1.309373939090254
Energy: 1.400224766234534
Energy: 1.360003472371909
Energy: 1.3373631144968392
Energy: 1.5691324273284086
Energy: 1.380759036379461
Energy: 1.4295482767343246
Energy: 1.5775936518380225
Energy: 1.353161382131752
Energy: 1.4251538283893364
Energy: 1.568183580466554
Energy: 1.395381069141642
Energy: 1.424840978050372
Energy: 1.5767188336966487
Energy: 1.3653872495057375
Energy: 1.4304688675415846
Energy: 1.5042029087393916
Energy: 1.3310691307325497
Energy: 1.3282710588614912
Energy: 1.3329742190349334
Energy: 1.3279957348592553
Energy: 1.3287307579693952
Energy: 1.3465590980975692
Energy: 1.3859271808948053
Energy: 1.3946925635205514
Energy: 1.3471409903095826
Energy: 1.391185814624566
Energy: 1.347773302910391
Energy: 1.3100241312969807
Energy: 1.3300521818071942
Energy: 1.3180341066447936
Energy: 1.3324320197480446
Energy: 1.380286816201516
Energy: 1.3614464573510805
Energy: 1.43114858567431
Energy: 1.3660318427394653
Energy: 1.3448239407839053
Energy: 1.37185533649803
Energy: 1.3625306276099045
Energy: 1.3438520892860095
Energy: 1.4270026684202237
Energy: 1.2778461280766993
Energy: 1.263160595811664
Energy: 1.3669643321396527
Energy: 1.2606750001850895
Energy: 1.267086170423154
Energy: 1.453153852047092
Energy: 1.290499972529049
Energy: 1.2839537474820724
Energy: 1.454596076264292
Energy: 1.3404754092165156
Energy: 1.277598502662216
Energy: 1.5234835001330447
Energy: 1.343024895027839
Energy: 1.3454392688049697
Energy: 1.3743006349420404
Energy: 1.328291514224693
Energy: 1.3661062587009625

minimum gb energy = 1.2606750001850895 eV
minimum distance =  2.30373354484242 Angstroms
sigma value = 9


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

Energy: 2.19025096099081
Energy: 2.019897960507621
Energy: 1.7341741918094893
Energy: 1.8174184495207883
Energy: 2.250173340773966
Energy: 1.736063226686809
Energy: 1.3959745111580157
Energy: 1.2987066300577377
Energy: 1.2720975156906011
Energy: 1.3643471021622804
Energy: 1.2928615486595845
Energy: 1.2898683380267675
Energy: 1.4670882249554273
Energy: 1.4118970221815366
Energy: 1.419385277840482
Energy: 1.4673457417195952
Energy: 1.432056206258169
Energy: 1.406665478076456
Energy: 1.375947362395993
Energy: 1.2938663520156144
Energy: 1.296913540158997
Energy: 1.3578940968422755
Energy: 1.2961181651309208
Energy: 1.330767864132403
Energy: 1.4636912134472055
Energy: 1.413311732582495
Energy: 1.3338560350174968
Energy: 1.4336702904961878
Energy: 1.4222250929164475
Energy: 1.3353088227370113
Energy: 1.3091986520987673
Energy: 1.3009111288872302
Energy: 1.3088651086197431
Energy: 1.3118648870256
Energy: 1.3012352787429091
Energy: 1.3345680005527967
Energy: 1.4953945439502472
Energy: 1.4610656077425501
Energy: 1.387157715387937
Energy: 1.493242137628945
Energy: 1.4629522974091709
Energy: 1.71723617112033
Energy: 1.3419817163878274
Energy: 1.336907491633806
Energy: 1.2729310486549401
Energy: 1.342158170222068
Energy: 1.3211814176528747
Energy: 1.274280409134425
Energy: 1.4899081991429364
Energy: 1.3346483502428583
Energy: 1.3163318183240673
Energy: 1.5318195504217995
Energy: 1.384818989200441
Energy: 1.4027201009408348
Energy: 1.4966523423393256
Energy: 1.2905536885756332
Energy: 1.2916235780032355
Energy: 1.485039218252385
Energy: 1.3350939125814287
Energy: 1.287989299122827
Energy: 1.3885383495761485
Energy: 1.4096364306951044
Energy: 1.3406162651861255
Energy: 1.390387686820918
Energy: 1.4275582151396533
Energy: 1.338527142807386
Energy: 1.3888283402588857
Energy: 1.3529133684498613
Energy: 1.358431091537099
Energy: 1.3903517907990217
Energy: 1.3635843879636564
Energy: 1.3637193763227655
Energy: 1.594076594713177
Energy: 1.377789811517241
Energy: 1.3548104212474676
Energy: 1.5335389546798093
Energy: 1.3852623548145173
Energy: 1.4094046645155451
Energy: 1.5375618941549931
Energy: 1.4067893389478057
Energy: 1.3947532923235229
Energy: 1.5431067429474343
Energy: 1.4429003344509517
Energy: 1.3621240942734008
Energy: 1.461573567680156
Energy: 1.2613908475932356
Energy: 1.296849532965386
Energy: 1.4625571843380865
Energy: 1.3995256025932894
Energy: 1.4157051105328822
Energy: 1.4345887423278654
Energy: 1.4312126345825227
Energy: 1.2934341172447805
Energy: 1.455337418678548
Energy: 1.6512646042360917
Energy: 1.2895672804984548
Energy: 1.4560879548964007
Energy: 1.335079093038062
Energy: 1.3261135633694812
Energy: 1.4041751773089794
Energy: 1.4467534763092693
Energy: 1.3314855185178698
Energy: 1.565171292103567
Energy: 1.4458752129702908
Energy: 1.4098498404289606
Energy: 1.4780204677700954
Energy: 1.4316492807920504
Energy: 1.4253272465483582
Energy: 1.4426928098390785
Energy: 1.3795771093101694
Energy: 1.3927219905891428
Energy: 1.4439928613434432
Energy: 1.4310600210780124
Energy: 1.4365892402687133
Energy: 1.5229325382683117
Energy: 1.4035218528691968
Energy: 1.4138018416283955
Energy: 1.5260094205897663
Energy: 1.477728648126896
Energy: 1.4119041952459956
Energy: 1.3879878558589736
Energy: 1.3012786824892355
Energy: 1.2898993709582351
Energy: 1.3121401583798413
Energy: 1.2871783227642253
Energy: 1.2912539653309043

minimum gb energy = 1.2613908475932356 eV
minimum distance =  2.29362559562254 Angstroms
sigma value = 27


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

Energy: 1.5220946755493336
Energy: 1.400663482821701
Energy: 1.2882631607918984
Energy: 1.3857510796789065
Energy: 1.8386490143259455
Energy: 1.406989687690167
Energy: 1.3682754248061353
Energy: 1.3608157456014731
Energy: 1.3138605522596765
Energy: 1.294693584892351
Energy: 1.3218117038418846
Energy: 1.3601509198925128
Energy: 1.5321521992767237
Energy: 1.4210937107787391
Energy: 1.3351698187841257
Energy: 1.4013606791602788
Energy: 1.3934371181355905
Energy: 1.4175203185741396
Energy: 1.4688539396576068
Energy: 1.395914995611866
Energy: 1.4270696965085539
Energy: 1.4333713017152656
Energy: 1.4470238927264345
Energy: 1.446361596335356
Energy: 1.365814414228007
Energy: 1.4398580853477507
Energy: 1.407728356601372
Energy: 1.3524960502427605
Energy: 1.536023482212204
Energy: 1.4085620722524446
Energy: 1.5155208986330713
Energy: 1.3905640616971522
Energy: 1.3798001367060684
Energy: 1.4942536525200862
Energy: 1.4058732989054925
Energy: 1.3741007572283284
Energy: 1.5140855191447606
Energy: 1.2902855960536432
Energy: 1.289980067250734
Energy: 1.4127319264886886
Energy: 1.2885944740489976
Energy: 1.2899769726881998
Energy: 1.5043428105671555
Energy: 1.2809232094078222
Energy: 1.382533643973226
Energy: 1.4899356393933854
Energy: 1.2598774061727316
Energy: 1.388277817226555
Energy: 1.533981101059983
Energy: 1.4007470421942148
Energy: 1.3765797734773053
Energy: 1.4323526309057928
Energy: 1.4447308145511066
Energy: 1.3520435620977975
Energy: 1.5311198775676949
Energy: 1.3671174634641847
Energy: 1.4201624116803582
Energy: 1.3913079706700375
Energy: 1.4204147198058266
Energy: 1.3953842846431137
Energy: 1.5529634700997215
Energy: 1.4362878925277995
Energy: 1.4195758449278955
Energy: 1.5443812568706141
Energy: 1.3121527026445283
Energy: 1.4161976123793527
Energy: 1.4584611241781813
Energy: 1.3801663674922031
Energy: 1.3816041817790505
Energy: 1.3720641090109138
Energy: 1.3997042477548087
Energy: 1.3819794550953486
Energy: 1.3836736488641292
Energy: 1.4408452973284178
Energy: 1.2863229052120757
Energy: 1.3847221500252036
Energy: 1.4029399888404879
Energy: 1.2865010871973734
Energy: 1.2310629325717182
Energy: 1.407963923473529
Energy: 1.3925122673366934
Energy: 1.2653945574396297
Energy: 1.4988995553289395
Energy: 1.2777042239965346
Energy: 1.527246681963607
Energy: 1.3873965428071198
Energy: 1.3758938130161247
Energy: 1.5032134579427179
Energy: 1.361712275916491
Energy: 1.3590229400395388
Energy: 1.476622994254835
Energy: 1.4157309303446766
Energy: 1.3968365764075839
Energy: 1.4683145477536852
Energy: 1.4336905707480125
Energy: 1.4057217347378264
Energy: 1.301208536536882
Energy: 1.4319682332245307
Energy: 1.426585957390773
Energy: 1.2809243367410692
Energy: 1.428498989210546
Energy: 1.4217744446089526
Energy: 1.4790940778575115
Energy: 1.3713191200614243
Energy: 1.3807901230117317
Energy: 1.3946878880240676
Energy: 1.3931533630828776
Energy: 1.3582817353764558
Energy: 1.4071637666930483
Energy: 1.27253675964555
Energy: 1.2691197763547466
Energy: 1.3983449255124523
Energy: 1.2865997909549516
Energy: 1.268623802463273
Energy: 1.514446430133825
Energy: 1.2723735331342223
Energy: 1.2691176642542752
Energy: 1.4873763327963916
Energy: 1.2832543632595939
Energy: 1.2680616498802924
Energy: 1.5334139320165456
Energy: 1.3871600857686301
Energy: 1.3627846306498161
Energy: 1.4193081663180758
Energy: 1.3967421669234077
Energy: 1.377733413775053
Energy: 1.3435872144804013
Energy: 1.4308782145862948
Energy: 1.436972046832093
Energy: 1.3302810004084438
Energy: 1.3630150372914278
Energy: 1.471999374856768
Energy: 1.5653599217562826
Energy: 1.4023185377135896
Energy: 1.4130498202073016
Energy: 1.4868826837255114
Energy: 1.4527151028378624
Energy: 1.4535884597436288
Energy: 1.5741170143900156
Energy: 1.4451621538009247
Energy: 1.2793053771624074
Energy: 1.4570792389776008
Energy: 1.3486388798753755
Energy: 1.4222808717298492
Energy: 1.389683282427325
Energy: 1.3959477995256029
Energy: 1.3046359444302476
Energy: 1.2663358333252732
Energy: 1.3396379111317316
Energy: 1.3768733892695044

minimum gb energy = 1.2310629325717182 eV
minimum distance =  2.33276876530763 Angstroms
sigma value = 19


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

Energy: 2.157845178385066
Energy: 2.176092685624438
Energy: 2.0589836137936586
Energy: 1.8332361974068025
Energy: 2.3815866464737945
Energy: 2.0639146791500838
Energy: 1.4547404296503108
Energy: 1.3057126155779941
Energy: 1.334480344934655
Energy: 1.3830170233600587
Energy: 1.3034821145786506
Energy: 1.3223037156862778
Energy: 1.4652640918907858
Energy: 1.290090982980969
Energy: 1.2863524971105726
Energy: 1.479592464388869
Energy: 1.4412731045026084
Energy: 1.2861723918406684
Energy: 1.308779712413923
Energy: 1.2693412945715714
Energy: 1.262872918317072
Energy: 1.2962711345777418
Energy: 1.283701078203378
Energy: 1.2533416907364283
Energy: 1.3764863953698079
Energy: 1.3244192656861062
Energy: 1.2929054217475682
Energy: 1.3476639859506971
Energy: 1.4303452418873284
Energy: 1.3447339694856297
Energy: 1.2788816164598324
Energy: 1.3467841774446934
Energy: 1.3594415913063143
Energy: 1.2821717236747834
Energy: 1.3001354567412393
Energy: 1.2711068038600966
Energy: 1.2736751443408247
Energy: 1.3928593764832704
Energy: 1.4437823542790487
Energy: 1.266961668649317
Energy: 1.4427756399823155
Energy: 1.3014185730242487
Energy: 1.3615745646565738
Energy: 1.2838922188699913
Energy: 1.3309992425196893
Energy: 1.3619586347813935
Energy: 1.293262296520957
Energy: 1.3354745490862951
Energy: 1.3485837258437248
Energy: 1.2945685909395974
Energy: 1.282329590666436
Energy: 1.3067941892625947
Energy: 1.4580477765334174
Energy: 1.2861014504864252
Energy: 1.29571856047948
Energy: 1.266723517249384
Energy: 1.2720929478844554
Energy: 1.3170634808929693
Energy: 1.2599242027626034
Energy: 1.270602642270815
Energy: 1.6349525380652477
Energy: 1.2831515160602132
Energy: 1.2802926655894353
Energy: 1.5538519620050562
Energy: 1.596444324192493
Energy: 1.282763329964557
Energy: 1.383259946321134
Energy: 1.3016306169167529
Energy: 1.2484519080799272
Energy: 1.3545184865904145
Energy: 1.3034137465240272
Energy: 1.2643575467121362
Energy: 1.4314822668755596
Energy: 1.2591638984597948
Energy: 1.2735559960908278
Energy: 1.605650724469871
Energy: 1.3051208198166067
Energy: 1.2775673896717956
Energy: 1.3942237595697995
Energy: 1.2481387297749733
Energy: 1.238140585396011
Energy: 1.3529143489021076
Energy: 1.2608443331928294
Energy: 1.2513875777141386
Energy: 1.4684988452413683
Energy: 1.259947335418227
Energy: 1.2528537942585773
Energy: 1.4696427193850394
Energy: 1.2706559923006975
Energy: 1.2657100488799249
Energy: 1.3843384591809258
Energy: 1.2584940660830437
Energy: 1.2568591990763085
Energy: 1.345643991249999
Energy: 1.248295540242
Energy: 1.2631272129627902
Energy: 1.4289068613553706
Energy: 1.4150985436458603
Energy: 1.5273847700778413
Energy: 1.6028591356752189
Energy: 1.4736187058458665
Energy: 1.5215993348631414
Energy: 1.3928514867832948
Energy: 1.2682848671784626
Energy: 1.252709508052509
Energy: 1.2907121597535358
Energy: 1.2983411869542703
Energy: 1.253576427171224
Energy: 1.327585533183562
Energy: 1.3860748957082107
Energy: 1.293994054418843
Energy: 1.3286943854293254
Energy: 1.4248259608045328
Energy: 1.2694733174137116
Energy: 1.3223585569592733
Energy: 1.38692466173421
Energy: 1.2838725859737738
Energy: 1.270679519431946
Energy: 1.3914192090241344
Energy: 1.2818467417858268
Energy: 1.309657523136411
Energy: 1.2658453160587324
Energy: 1.2629811509968891
Energy: 1.2845562219984812
Energy: 1.3589608348002078
Energy: 1.2552478102048636
Energy: 1.2872129689472083
Energy: 1.2680461703552355
Energy: 1.267308380028114
Energy: 1.2468605330296956
Energy: 1.2912354380051938
Energy: 1.2605292587673511
Energy: 1.319723358070078
Energy: 1.5449949608731912
Energy: 1.3120667120365652
Energy: 1.3136416053725855
Energy: 1.5031888156179543
Energy: 1.297001852693886
Energy: 1.2703164334789332
Energy: 1.494456362983752
Energy: 1.4534158560255623
Energy: 1.270453654979297
Energy: 1.3143328077768062
Energy: 1.2533971181357726
Energy: 1.343935858716838
Energy: 1.263233032533284
Energy: 1.2619480758063113
Energy: 1.3323261970812992
Energy: 1.386148292529188
Energy: 1.2585173666356722
Energy: 1.3942661141498494
Energy: 1.3815294319443325
Energy: 1.400606357793628
Energy: 1.3558164352543223
Energy: 1.4280151096284244
Energy: 1.2966425224150968
Energy: 1.366080724445528
Energy: 1.2692145382493434
Energy: 1.2687560067498973
Energy: 1.3675754369076702
Energy: 1.286454298680699
Energy: 1.2761602178250675
Energy: 1.4765723954273249
Energy: 1.285240259516562
Energy: 1.272269535920322
Energy: 1.476892786090741
Energy: 1.3172348979430726
Energy: 1.285480333783481
Energy: 1.4394805614544326
Energy: 1.3496960653977974
Energy: 1.3527942817480585
Energy: 1.571006325699579
Energy: 1.3869141817189823
Energy: 1.2706442888876128

minimum gb energy = 1.238140585396011 eV
minimum distance =  2.27647966972424 Angstroms
sigma value = 101


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

Energy: 1.9774121804087483
Energy: 1.9520590872568382
Energy: 1.9498367699033696
Energy: 1.78580310211136
Energy: 2.288154275797439
Energy: 1.4519416817817785
Energy: 1.2736064291277776
Energy: 1.1929598185063628
Energy: 1.2048663546879075
Energy: 1.2528918900707258
Energy: 1.2620995963298494
Energy: 1.2037523572561617
Energy: 1.4975672174704409
Energy: 1.3249146511718024
Energy: 1.2284322638930794
Energy: 1.4985479330407165
Energy: 1.4503162470042463
Energy: 1.2356414380870553
Energy: 1.2690593912876598
Energy: 1.1821785283901918
Energy: 1.1724079701829537
Energy: 1.220929800042891
Energy: 1.2304800294025264
Energy: 1.1718619473747722
Energy: 1.2896255036059765
Energy: 1.2506177715498155
Energy: 1.2471217507833388
Energy: 1.261648980992857
Energy: 1.4277873090994775
Energy: 1.2162641679790642
Energy: 1.2585021708193045
Energy: 1.2262146255213704
Energy: 1.2161546882264498
Energy: 1.2596232999663424
Energy: 1.2808145154421295
Energy: 1.2111781877702275
Energy: 1.2820827988470933
Energy: 1.2283558244930284
Energy: 1.3243671414712554
Energy: 1.441757892439662
Energy: 1.3609087539535096
Energy: 1.2281916937014843
Energy: 1.2306759113892995
Energy: 1.2021564783415288
Energy: 1.2014963420699865
Energy: 1.2506594776852014
Energy: 1.2675464596055432
Energy: 1.2242906561562468
Energy: 1.2683739430984913
Energy: 1.2270303736775237
Energy: 1.2133205640241642
Energy: 1.2342269591164725
Energy: 1.459620099676546
Energy: 1.2079271073774178
Energy: 1.245674975676206
Energy: 1.191928878504475
Energy: 1.216286249420428
Energy: 1.233404456565971
Energy: 1.2086564735405494
Energy: 1.2207436735610286
Energy: 1.5558806691406335
Energy: 1.2326450894071737
Energy: 1.229476075893952
Energy: 1.5568773148998367
Energy: 1.234383026778675
Energy: 1.2307838107822207
Energy: 1.247002313317049
Energy: 1.2163900671921175
Energy: 1.1810054003198502
Energy: 1.2575578963885186
Energy: 1.2360556501437616
Energy: 1.20018120839731
Energy: 1.33193610518754
Energy: 1.198757534327451
Energy: 1.2049066597728817
Energy: 1.4742288971494029
Energy: 1.3034781221955511
Energy: 1.2041691081410553
Energy: 1.316147340486204
Energy: 1.218400752813964
Energy: 1.1969100394019658
Energy: 1.3435715171992497
Energy: 1.2770136050739465
Energy: 1.1834524691617658
Energy: 1.4765925771910262
Energy: 1.2047799301354654
Energy: 1.2037446662606404
Energy: 1.2702992081791729
Energy: 1.229264653072757
Energy: 1.2176565365907808
Energy: 1.4571358048301033
Energy: 1.240187969675713
Energy: 1.213963747302405
Energy: 1.3290534484612775
Energy: 1.1816027366874728
Energy: 1.2097212515068472
Energy: 1.980731944479214
Energy: 1.4203917841031004
Energy: 1.2072107809667927
Energy: 1.7051620935975698
Energy: 1.4433607013097833
Energy: 1.2304744653211428
Energy: 1.2732672870438957
Energy: 1.3097653302792631
Energy: 1.2940001488160313
Energy: 1.2661360235308639
Energy: 1.2685890516238514
Energy: 1.2027112656041454
Energy: 1.4693880846923106
Energy: 1.2185387771806735
Energy: 1.2174941702137634
Energy: 1.4709323489174746
Energy: 1.2470642998540673
Energy: 1.2182769719032758
Energy: 1.3291080924130325
Energy: 1.2198058234435483
Energy: 1.2170888018500792
Energy: 1.3302075451428896
Energy: 1.2411578971672048
Energy: 1.1998109783606103
Energy: 1.2896288167759367
Energy: 1.2750401924249972
Energy: 1.2123416020789586
Energy: 1.2652985731587276
Energy: 1.35903466522682
Energy: 1.2128313034968934
Energy: 1.2650182957589102
Energy: 1.2201604084889581
Energy: 1.21268805914993
Energy: 1.228895379219227
Energy: 1.3146951307101522
Energy: 1.2116690269351904
Energy: 1.2881863282455746
Energy: 1.2284359156394435
Energy: 1.2004529649198286
Energy: 1.2833428811287477
Energy: 1.2499405746350474
Energy: 1.1998652683588376
Energy: 1.2831952647461884
Energy: 1.2065914578719565
Energy: 1.2017014409499436
Energy: 1.2784637768008873
Energy: 1.2052006766919492
Energy: 1.4073457110213963
Energy: 1.2494241921517049
Energy: 1.22204337599569
Energy: 1.22916599042097
Energy: 1.239976952309643
Energy: 1.4501964066750588
Energy: 1.212496229267048
Energy: 1.2698123875068648
Energy: 1.201433486970196
Energy: 1.2216082187549926
Energy: 1.229424238891111
Energy: 1.2590095269672688
Energy: 1.2087317449219883
Energy: 1.3164422318712734
Energy: 1.4103735711914072
Energy: 1.33530289997361
Energy: 1.4605776780426476
Energy: 1.2338011378261982
Energy: 1.194138681141509
Energy: 1.2503502013364458
Energy: 1.2140574745589148
Energy: 1.209459158263585
Energy: 1.2514504016737398
Energy: 1.201040337388337
Energy: 1.1904635822699734
Energy: 1.3078786798958946
Energy: 1.2037292190876132
Energy: 1.19821706260286
Energy: 1.3034610975682528
Energy: 1.3041023800216616
Energy: 1.2089242686342048
Energy: 1.306325362624088
Energy: 1.277191336790555
Energy: 1.2228937461730376
Energy: 1.2867733656170057
Energy: 1.2428530377150933
Energy: 1.1993165762412787
Energy: 1.3591231326504352
Energy: 1.2069372066078865
Energy: 1.2061548457240414
Energy: 1.360489444337658
Energy: 1.2193465839975786
Energy: 1.2113683304831122
Energy: 1.4700081136631047
Energy: 1.2302985396371793
Energy: 1.2128402427439726
Energy: 1.2860100026662973
Energy: 1.231407619002021
Energy: 1.2187787511048727
Energy: 1.3410752570161042
Energy: 1.3958397409209085
Energy: 1.1958080414858674
Energy: 1.3202883529968124
Energy: 1.4000893413472348
Energy: 1.1943564722338917

minimum gb energy = 1.1718619473747722 eV
minimum distance =  2.28630478879053 Angstroms
sigma value = 33


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

Energy: 0.017794270944108428
Energy: 0.018576315081279795
Energy: 0.01855526180906247
Energy: 0.019910024119745247
Energy: 1.6772739074404612
Energy: 0.018417207486953514
Energy: 0.01859580355861509
Energy: 0.1382359003507637
Energy: 0.13636094963963988
Energy: 0.13904824785323214
Energy: 0.1384338815564304
Energy: 0.13641877018197812
Energy: 1.6766586283376206
Energy: 1.2906351330241765
Energy: 1.2890966148828211
Energy: 1.6756414992864432
Energy: 1.2909187241063258
Energy: 1.2890572163775238
Energy: 0.5210384952214394
Energy: 0.13823590035158664
Energy: 0.13636094963920423
Energy: 0.1390482478536194
Energy: 0.1384338815564304
Energy: 0.13641877018197812

minimum gb energy = 0.017794270944108428 eV
minimum distance =  2.54475101331107 Angstroms
sigma value = 1