Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.700485944747925
cohesive_energy=1.5099470904077228
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 0.0, 1.2728428181747639e-21, 1.63434834081072e-20, 4.32538023704346e-20, 7.298891895616739e-20, 1.004782645540224e-19, 1.240611830828586e-19, 1.44007641305505e-19, 1.6121421726634797e-19, 1.7607921207659998e-19, 1.8886938814582198e-19, 1.9981545890930998e-19, 2.0912090079958196e-19, 2.16961953246378e-19, 2.23494027383196e-19, 2.2884689951739e-19, 2.33142335073144e-19, 2.36478066825132e-19, 2.38947021018126e-19, 2.4062930648382596e-19, 2.4159221464085997e-19, 2.4190143473122197e-19, 2.41577795051154e-19, 2.4055240200539395e-19, 2.3872912499590197e-19, 2.36003822541468e-19, 2.3225152486463997e-19, 2.27331240421626e-19, 2.21081149372392e-19, 2.1331379705075997e-19, 2.0381128743450597e-19, 1.9262008364601598e-19, 1.79914822938396e-19, 1.64610831730428e-19, 1.4486945211693358e-19, 1.182217299049188e-19, 8.148093576935759e-20, 3.0679119058485596e-20, -3.89493946255302e-20, -1.3286001672145977e-19, -2.56862560139514e-19, -4.1709464312921995e-19, -6.20744110723692e-19, -8.75403677991456e-19, -1.172642691484404e-18, -1.5108173179760517e-18, -1.9959115418054996e-18, -2.7860409706289398e-18, -4.12257671871174e-18, -6.5199136161659396e-18, -1.120921225385616e-17, -2.13579758372004e-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: 0.00628733878680789
Energy: 0.21844262046283602
Energy: 0.11098192775788662
Energy: 0.11097587273772123
Energy: 0.006391625983884463
Energy: 0.0072096746234997545
Energy: 0.2185465343618455
Energy: 0.11095427340405795
Energy: 0.11178822233301858
Energy: 0.00836772350454589
Energy: 0.11097512024671911
Energy: 0.4885117933688845
Energy: 0.11093803357431982
Energy: 0.2700365904657133
Energy: 0.2203189138483654
Energy: 0.11105964954546853
Energy: 0.4888490713915527
Energy: 0.11094952096662615
Energy: 1.026295114382536
Energy: 0.21960429569287845
Energy: 0.11121839848419184
Energy: 0.006393832663367634
Energy: 0.006511801451683925
Energy: 0.21836672639305593
Energy: 0.2440093770945492
Energy: 0.11116859131716174
Energy: 0.006363929920058187
Energy: 0.006463817350779965
Energy: 0.21874883342004675
Energy: 0.11115552242738946
Energy: 0.21885418402854107
Energy: 0.006653286043823371
Energy: 0.006845788687110165
Energy: 0.22002569334005212
Energy: 0.11093336790299152
Energy: 0.22004011153534567
Energy: 0.007126253435015903
Energy: 0.006572423229247982
Energy: 0.4893594373778737
Energy: 0.1109461219561946
Energy: 0.21874222833020615
Energy: 0.11118046665596266
Energy: 0.11100968985201856
Energy: 0.007053089449413462
Energy: 0.006542701247362169
Energy: 0.21925252917102692
Energy: 0.11137681624035474
Energy: 0.11102581797358442
Energy: 0.006372011877166189
Energy: 0.26787918302353686
Energy: 0.11102569968991974
Energy: 0.2199842522855985
Energy: 0.2198107351676685
Energy: 0.006747907444020406
Energy: 0.006422832230599879
Energy: 0.11119381702245763
Energy: 0.9750945817633091
Energy: 0.21947934444715744
Energy: 0.006777402666196714
Energy: 0.006458525165719319
Energy: 0.006450011500777427
Energy: 0.21950662876578725
Energy: 0.21955940327179918
Energy: 0.11245834849762157
Energy: 0.11130552914697242
Energy: 0.00644373504353053
Energy: 0.21951197381171803
Energy: 0.9929640617882566
Energy: 0.1111127061836988
Energy: 0.1109232389693809

minimum gb energy = 0.00628733878680789 eV
minimum distance =  2.58445586858735 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.5741029579244095
Energy: 1.083537825222516
Energy: 1.1047723152110578
Energy: 1.0282541704832406
Energy: 0.9703690220889329
Energy: 1.5123588695964718
Energy: 0.9715220677305941
Energy: 1.1040738633956957
Energy: 1.0206621909583717
Energy: 1.0128187712432226
Energy: 1.3089987872652369
Energy: 1.3590979889579275
Energy: 1.1124906768456724
Energy: 1.1211934161189474
Energy: 0.942685012005973
Energy: 1.289149109838547
Energy: 0.9871813057763914
Energy: 1.0295362758323772
Energy: 1.1371412547236304
Energy: 0.9981371273548675
Energy: 1.0678860179744576
Energy: 1.434199101529227
Energy: 1.307841221495216
Energy: 1.20975728471821
Energy: 1.0009997206888461
Energy: 0.9440961913766865
Energy: 1.4347967092740694
Energy: 1.2430979154143036
Energy: 1.166658420179986
Energy: 1.0461947477152906
Energy: 1.2146420809088334
Energy: 1.2391925413585978
Energy: 1.4350856151695095
Energy: 1.0693155825696996
Energy: 1.0555908633076272
Energy: 1.2305648593126726
Energy: 1.2310076204690246
Energy: 1.434691244399879
Energy: 1.2395407142563313
Energy: 1.0470347449310617
Energy: 1.2623710718957033
Energy: 1.2768194131987862
Energy: 1.1926240136946886
Energy: 1.3901355780597897
Energy: 1.3205898642039862
Energy: 1.289599160970304
Energy: 1.046198691505549
Energy: 1.2353615605960373
Energy: 1.390975720542097
Energy: 1.1486338369079216
Energy: 1.1756495042997908
Energy: 1.3655354528467505
Energy: 1.18251265240086
Energy: 1.233773081685218
Energy: 1.436460192825618
Energy: 1.1756878645649942
Energy: 1.3652793975827648
Energy: 1.1641520527634805
Energy: 1.3931807597606287
Energy: 1.4353532963791296
Energy: 1.0749727787522598
Energy: 1.343563706348666
Energy: 1.4830510369765537
Energy: 1.2086495573178155
Energy: 1.1267706582214365
Energy: 1.0628047955331352
Energy: 1.1101558252687536
Energy: 1.1771727834515835
Energy: 1.2092996787549073
Energy: 1.1264103685755804
Energy: 1.1347925615529713
Energy: 1.0628086612922294
Energy: 1.1233312566573557
Energy: 1.0581985183605869
Energy: 1.05547121783358
Energy: 1.1400102626938982
Energy: 1.060670366528301
Energy: 1.5113936061170365
Energy: 1.053071102184551
Energy: 1.0559557505083852
Energy: 1.057310840463983
Energy: 1.1193031028299743
Energy: 1.2061269673724677
Energy: 1.4964449086916105
Energy: 1.0929008726158167
Energy: 1.0566478355802558
Energy: 1.1201614205832515
Energy: 1.405582298042745
Energy: 1.520042376202568
Energy: 1.0531666179162806
Energy: 1.2393357195728743
Energy: 1.2609105183098857
Energy: 0.9834253960020374
Energy: 0.9725791640198127
Energy: 1.43712305045414
Energy: 1.1614127047290268
Energy: 1.1141067107628595
Energy: 0.980810663463447
Energy: 1.107349086749938
Energy: 1.4349490602207655
Energy: 1.3749548566134375
Energy: 0.9942494701291099
Energy: 1.0510159655598337
Energy: 1.1659438956305979
Energy: 1.4352393864166297
Energy: 1.2317369453844302
Energy: 0.9550812364511847
Energy: 1.047086453657701
Energy: 1.1664048985094109
Energy: 1.4375025826183485
Energy: 1.3937831474830948
Energy: 1.238007522609883
Energy: 1.3087406599974405
Energy: 1.264925330169188
Energy: 1.2045041017577969
Energy: 1.3935841638575996
Energy: 1.237767816984168
Energy: 1.2604640345439173
Energy: 1.2647042555311432
Energy: 1.1877605627407408
Energy: 1.2585424007774002
Energy: 1.382221567389379
Energy: 1.1753456695848832
Energy: 1.3661317951482783
Energy: 1.1479632541878175
Energy: 1.2580751530944998
Energy: 1.3819432844476147
Energy: 1.1566122396814642
Energy: 1.3665475849914281
Energy: 1.1382886167071553
Energy: 0.9895803538166469
Energy: 0.9629805379466642
Energy: 1.1308702947749387
Energy: 1.264230996464662
Energy: 1.3284496036208153
Energy: 1.2265821366340086
Energy: 0.9796325415160763
Energy: 1.1267814834531646
Energy: 1.1281269631656698
Energy: 1.3300795587796799
Energy: 1.5264682062146857
Energy: 1.1246941548294505
Energy: 1.1479083994649337
Energy: 1.0677949013534453
Energy: 1.0669865165391428
Energy: 1.5264729718022096
Energy: 1.0663097682314897
Energy: 1.1443146384028748
Energy: 1.0668127664367257
Energy: 1.0785042160297167
Energy: 0.9474033385259335
Energy: 1.3122876986666017
Energy: 1.1537938433017527
Energy: 1.1061334625894188
Energy: 0.9649158319579123
Energy: 1.2610322333579065
Energy: 1.0916910528535018
Energy: 1.057315998472728
Energy: 1.125988254158453
Energy: 0.9681446952376375
Energy: 1.1327540734897594
Energy: 1.4348460253498652
Energy: 1.0042615432031363
Energy: 1.1514298162482781
Energy: 0.9910884707958155
Energy: 1.1065599125674492
Energy: 1.4346556031288042
Energy: 1.271603774891513
Energy: 1.2612262379509198
Energy: 0.9939738900262609
Energy: 1.2347397536773925
Energy: 1.2668861118798416
Energy: 1.4355540987694289
Energy: 1.0633875192838882
Energy: 1.0064242433109523
Energy: 1.1870422306867467
Energy: 1.298721245927953
Energy: 1.4361996703910678
Energy: 1.0594926611689184
Energy: 1.0063804225973805
Energy: 1.304946892418669
Energy: 1.175704201764312
Energy: 1.162148351076606
Energy: 1.385506580991455
Energy: 1.1242941969579812
Energy: 1.3069713607907099
Energy: 1.2332809608541526
Energy: 1.160526701507756
Energy: 1.3859658755479978
Energy: 1.1246129316680913
Energy: 1.1758177699522159
Energy: 1.3661247759245547
Energy: 1.1691740800401624
Energy: 1.2349891067510428
Energy: 1.3525435148538136
Energy: 1.1782426209172217
Energy: 1.3662496463965232
Energy: 1.2111765825239038
Energy: 1.2542643791067392
Energy: 1.2155581645659634
Energy: 1.0585305690558704
Energy: 1.2416403040644994
Energy: 1.2218049572452703
Energy: 1.2088426159229522
Energy: 1.2620594116584374
Energy: 1.0554443157066808
Energy: 1.2211545411298586
Energy: 1.0295091454435072
Energy: 1.2084150377768177
Energy: 1.2436088713917073
Energy: 1.1350040338591811
Energy: 1.0602428869049392
Energy: 1.0986533167952357
Energy: 1.1913891182636633
Energy: 1.0581945917469706
Energy: 1.1407314477062125
Energy: 1.0621896823312005
Energy: 1.417501897056685
Energy: 1.2083176049500715
Energy: 1.0570968057547656
Energy: 1.0714281819733724
Energy: 1.1391424872086027
Energy: 1.2108528345834952
Energy: 1.4963609685356507
Energy: 1.0774662006574278
Energy: 1.0791357684259573
Energy: 1.135573193719909
Energy: 1.2063247515508417
Energy: 1.4916612646523337
Energy: 1.0628322812677549
Energy: 1.19956977818813
Energy: 1.1997347791538735
Energy: 0.9806458676895966
Energy: 1.0981319586512452
Energy: 1.4346928978799907
Energy: 1.231450607606128
Energy: 1.2000556528627153
Energy: 0.9808406377250031
Energy: 1.1008555098852204
Energy: 1.433845688141008
Energy: 1.278894484371217
Energy: 1.019312854139426
Energy: 1.145410603866544
Energy: 1.2096770653408924
Energy: 1.433405911651645
Energy: 1.291742751437007
Energy: 0.9787073030849763
Energy: 1.1436440935826404
Energy: 1.2061984530617336
Energy: 1.4340095084749944
Energy: 1.3970639095029331
Energy: 1.370218226409329
Energy: 1.1779310634009665
Energy: 1.2705090853375385
Energy: 1.0179014370370616
Energy: 1.401871798251285
Energy: 1.3603352445564383
Energy: 1.2218731247391652
Energy: 1.3534019949907363
Energy: 1.1050085406424623
Energy: 1.2822725642297406
Energy: 1.2600008102387124
Energy: 1.1535421173413862
Energy: 1.3664980635953963
Energy: 1.1334561926342683
Energy: 1.3339903713667505
Energy: 1.3938872349670797
Energy: 1.1141084616842447
Energy: 1.3639250457960996
Energy: 1.1501657059763115
Energy: 1.0771142935744904
Energy: 0.9907528418735199
Energy: 1.1324371335657615
Energy: 1.1946617256143752
Energy: 1.3161944769982115
Energy: 1.2260698792172755
Energy: 0.9358346323556601
Energy: 1.1216168847389805
Energy: 1.2085375501980211
Energy: 1.464507321114291
Energy: 1.3692128500375547
Energy: 1.0877271901874865
Energy: 1.118554192361368
Energy: 1.0296273212209572
Energy: 0.984787457548288
Energy: 1.5281088183041291
Energy: 0.9801573267462905
Energy: 1.10974512701158
Energy: 1.0272406733210346
Energy: 1.175472241516664

minimum gb energy = 0.9358346323556601 eV
minimum distance =  2.30093759514117 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.8363806417740662
Energy: 1.1939828822483725
Energy: 1.4033650282716672
Energy: 1.1519464939235278
Energy: 1.0461874383709249
Energy: 1.7198500092913127
Energy: 1.077988295829217
Energy: 1.407982701016676
Energy: 1.185423448314908
Energy: 1.107842265748293
Energy: 1.5316111472665779
Energy: 1.3080411076000065
Energy: 1.1089676011339273
Energy: 1.1493767480821977
Energy: 1.062846241151354
Energy: 1.1869923017925468
Energy: 1.165461369439864
Energy: 1.135519946513691
Energy: 1.279085466727657
Energy: 1.1557985302273308
Energy: 1.2406265137002888
Energy: 1.453266351739245
Energy: 1.4182527028682308
Energy: 1.141286467517579
Energy: 1.071308531494018
Energy: 1.0706620612901174
Energy: 1.4483015897289797
Energy: 1.4209183228204412
Energy: 1.2239786037312819
Energy: 1.1221587550682683
Energy: 1.2329982630109437
Energy: 1.3193778223069974
Energy: 1.2941254219118874
Energy: 1.2811308508991621
Energy: 1.1363104377496454
Energy: 1.1628515104511437
Energy: 1.0504255270222798
Energy: 1.1130925537232275
Energy: 1.2652704065590354
Energy: 1.1326843726164637
Energy: 1.2151885468879402
Energy: 1.2245123723263351
Energy: 1.2771699531859155
Energy: 1.2524292531917214
Energy: 1.090855654216925
Energy: 1.1300258305998498
Energy: 1.512797849919477
Energy: 1.0778719928050942
Energy: 1.2447686566367158
Energy: 1.1436395678240865
Energy: 1.0769817271789615
Energy: 1.4328940996532833
Energy: 1.1542270206089438
Energy: 1.2617507606136193
Energy: 1.061710801679315
Energy: 1.046086456301557
Energy: 1.3969456329882097
Energy: 1.0750023108592168
Energy: 1.2672417067390724
Energy: 1.121656802227494
Energy: 1.1388421683166836
Energy: 1.2799365724950873
Energy: 1.1833486638691402
Energy: 1.1723653112984431
Energy: 1.0906025790088283
Energy: 1.0548195868840402
Energy: 1.1689061426885645
Energy: 1.121094883114668
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Energy: 1.2002131242203662
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Energy: 1.127834161886611
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Energy: 1.27923271341045
Energy: 1.4281587083735046
Energy: 1.4254404075673475
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Energy: 1.130984984602598
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Energy: 1.21124219612848
Energy: 1.1928630939988663
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Energy: 1.1007302253656102
Energy: 1.2985648076516927
Energy: 1.1125106757697165
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Energy: 1.201077733419945
Energy: 1.2026462262152486
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Energy: 1.3481230752096613
Energy: 1.16375912620731
Energy: 1.249554279301316
Energy: 1.1746567123721956
Energy: 1.2041658954643022
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Energy: 1.2717054220860795
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Energy: 1.1735223198199527
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Energy: 1.2297218985085439
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Energy: 1.1236831862355774
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Energy: 1.235014355772977
Energy: 1.214457066898326
Energy: 1.1358526116890784
Energy: 1.3224643543984238
Energy: 1.2162415738679515
Energy: 1.2288928063348716
Energy: 1.1761487383662081
Energy: 1.0782934376879467
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Energy: 1.1455465824838675
Energy: 1.2384325413693063
Energy: 1.2477304444065054
Energy: 1.1208148239875146
Energy: 1.254606680585792
Energy: 1.4220172948082686
Energy: 1.298899790111699
Energy: 1.1654970802102205
Energy: 1.1209344770132228
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Energy: 1.4213714828930561
Energy: 1.2680801201183334
Energy: 1.1500284690125673
Energy: 1.2472245549904402
Energy: 1.280705523998559
Energy: 1.1391431609989633
Energy: 1.2260908521458342
Energy: 1.4016496537686651
Energy: 1.16935975507187
Energy: 1.2762169386527995
Energy: 1.0621169007013291
Energy: 1.188157767991058
Energy: 1.4168921362796836
Energy: 1.192490696146592
Energy: 1.246176361246003
Energy: 1.079085397876562
Energy: 1.1668857830941053
Energy: 1.4285216044126414
Energy: 1.171655568266286
Energy: 1.2154021706450266
Energy: 1.0501090069586803
Energy: 1.1065294435365731
Energy: 1.2293085835419055
Energy: 1.166718292147413
Energy: 1.1032191340523698
Energy: 1.2607829728370685
Energy: 1.205652535830351
Energy: 1.2219761008381507
Energy: 1.1118348456219218
Energy: 1.3355460980165816
Energy: 1.1513745006272433
Energy: 1.1951235151948947
Energy: 1.2405960544086196
Energy: 1.2156432618002553
Energy: 1.2092562516288372
Energy: 1.2887262794530001
Energy: 1.1756201769610337
Energy: 1.2249262992654728
Energy: 1.1291280120003726
Energy: 1.1276644561122042
Energy: 1.1863366623509657
Energy: 1.1725431821461916
Energy: 1.2239936477182347
Energy: 1.1239113300331913
Energy: 1.1299800675322875
Energy: 1.2698700433111303
Energy: 1.418640191834323
Energy: 1.2750208669697984
Energy: 1.1212425343761272
Energy: 1.1643549252317027
Energy: 1.2774063189664435
Energy: 1.4184531850290134
Energy: 1.190924766109479
Energy: 1.4199806581009828
Energy: 1.209964946477758
Energy: 1.286897504063139
Energy: 1.1444707902294697
Energy: 1.2160013186851197
Energy: 1.4308439603815144
Energy: 1.1115955879141644
Energy: 1.1833608382784928
Energy: 1.0206440192781232
Energy: 1.0535175991207573
Energy: 1.4507433646999301
Energy: 1.2005439805592584
Energy: 1.2328092343685326
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minimum gb energy = 1.0106606256646855 eV
minimum distance =  2.27267664774089 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.1109576199441493
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Energy: 1.2915010017761692
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Energy: 1.1552250815942544
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Energy: 1.16879128674933
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Energy: 1.222857372592918
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Energy: 1.0934673617311716
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Energy: 1.096072803251719
Energy: 1.1183597913615466
Energy: 1.2629475633626872
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Energy: 1.1191791244140246
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Energy: 1.1375762515059258
Energy: 1.129647995178433
Energy: 1.7023143126916331
Energy: 1.1966795372956038
Energy: 1.1329162149332703
Energy: 1.1359889872515703
Energy: 1.1301643889402024
Energy: 1.1855070245263744
Energy: 1.2401574767450114
Energy: 1.2754923821671016
Energy: 1.1373989268632279
Energy: 1.1929227303868433
Energy: 1.1564941445823307
Energy: 1.1593191630941002
Energy: 1.2497522316336733
Energy: 1.1262864199037015
Energy: 1.1543904502816809
Energy: 1.1585088815660196
Energy: 1.2247249392556594
Energy: 1.227952100996097
Energy: 1.2647361502374117
Energy: 1.103439244423897
Energy: 1.121394653630709
Energy: 1.2150359040449659
Energy: 1.165114577327566
Energy: 1.3085544697927005
Energy: 1.1033709283923245
Energy: 1.2460431288271026
Energy: 1.1664602878791006
Energy: 1.095463345885969
Energy: 1.1791725038944345
Energy: 1.1037282351674618
Energy: 1.2604444027243726
Energy: 1.188183991751985
Energy: 1.088674558800448
Energy: 1.1162945312909083
Energy: 1.1033201047131131
Energy: 1.1886830070610706
Energy: 1.333782026481213
Energy: 1.170611707220366
Energy: 1.1537477267620726
Energy: 1.183684289902104
Energy: 1.1654555082647773
Energy: 1.0418056114706413
Energy: 1.1387602503898746
Energy: 1.1651027922240313
Energy: 1.2032627976132193
Energy: 1.185960646067653
Energy: 1.1151674893468715
Energy: 1.1735257146684948
Energy: 1.2657901080348999
Energy: 1.2401526895751935
Energy: 1.1905492137275198
Energy: 1.1157974354177633
Energy: 1.2562613669117983
Energy: 1.1125954470750559
Energy: 1.1126724904191994
Energy: 1.1530888637924868
Energy: 1.1640414412137539
Energy: 1.1101549172100673
Energy: 1.205716740843878
Energy: 1.1608637967852966
Energy: 1.0919488862731248
Energy: 1.1619876447935809
Energy: 1.1672472798736446
Energy: 1.1425919059962166
Energy: 1.1646102514520453
Energy: 1.1157030023050223
Energy: 1.1422844547817972
Energy: 1.0870880935007994
Energy: 1.071783058865322
Energy: 1.1205409944112315
Energy: 1.0591376128580208
Energy: 1.1055751982244573
Energy: 1.112277504760888
Energy: 1.0582989636140356
Energy: 1.2310410421874622

minimum gb energy = 1.0241988208407258 eV
minimum distance =  2.28462509402063 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.4147687563392695
Energy: 1.0586791993382945
Energy: 1.0754933192252119
Energy: 1.0430541664423243
Energy: 0.990285581362313
Energy: 1.338912412526618
Energy: 1.0476060486911736
Energy: 1.0597704191013353
Energy: 1.0594165834766316
Energy: 1.0221197275681149
Energy: 1.1422077053327637
Energy: 1.2193537269450303
Energy: 1.046031701231686
Energy: 1.0802222355276712
Energy: 1.0684657431326812
Energy: 1.0612026498402682
Energy: 1.0638117735562642
Energy: 1.0831642800053136
Energy: 1.0702393723230499
Energy: 1.1487826147699531
Energy: 1.0866022883310007
Energy: 1.114642818872549
Energy: 1.210507603296337
Energy: 1.0997021351249336
Energy: 1.0969897747670576
Energy: 1.0791796307709973
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Energy: 1.0965172189446926
Energy: 1.273260598086554
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Energy: 1.1029970266355742
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Energy: 1.082924886387022
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Energy: 1.0966735888571875
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Energy: 1.1056040670560383
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Energy: 1.1017671706364562
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Energy: 1.3873613005480259
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Energy: 1.0375403241614714
Energy: 0.9921563622270186
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Energy: 1.0717697775772357
Energy: 1.0723035442827036
Energy: 0.9896896400814286
Energy: 1.1976708869420802
Energy: 1.122581050956484
Energy: 1.094155899497081
Energy: 1.083235303572235
Energy: 1.0885486569935092
Energy: 1.1897953079726822
Energy: 1.1073504061565669
Energy: 1.1028730829450313
Energy: 1.0909175645466016
Energy: 1.0548200298163373
Energy: 1.0392212723814473
Energy: 1.0798604647762307
Energy: 1.1340179358488585
Energy: 1.1879681993613243
Energy: 1.4153805369404886
Energy: 1.0812098695703538
Energy: 1.0859646535836023
Energy: 1.1139761564278337
Energy: 1.1877066170541664
Energy: 1.4151107469510085
Energy: 1.1429817952425962
Energy: 1.1756901405971092
Energy: 1.1167707502095041
Energy: 1.1491882817736314
Energy: 1.1153068722310495
Energy: 1.100805230321761
Energy: 1.124032695863956
Energy: 1.1533387363587075
Energy: 1.150411244971387
Energy: 1.201463468398228
Energy: 1.155911391324421
Energy: 1.4459167671641586
Energy: 1.0681780950914062
Energy: 1.0943109916939575
Energy: 1.0909183784754586
Energy: 1.0400026033571748
Energy: 1.3987416507267556
Energy: 1.0732768729895277
Energy: 1.0902912226957904
Energy: 1.0923787319754705
Energy: 1.0745141803400169
Energy: 1.4455970633300963
Energy: 1.1045721243535869
Energy: 1.0382809439922356
Energy: 1.0764363084511603
Energy: 1.0990701817644113
Energy: 1.1001435983780485
Energy: 1.1172668135479318
Energy: 1.022663934429546
Energy: 1.0709324551759105
Energy: 1.0981020613855565
Energy: 1.1483315642320884
Energy: 1.0779310596641816
Energy: 1.1186610152705323
Energy: 1.0586479903742068
Energy: 1.0166519469654332
Energy: 1.0674313067161183
Energy: 1.0578593690302571
Energy: 1.0970135090256368
Energy: 1.1169676654826888

minimum gb energy = 0.9896896400814286 eV
minimum distance =  2.31255579727465 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.816766508857032
Energy: 0.9855856518682601
Energy: 0.8875477867321822
Energy: 0.903100730515963
Energy: 0.8730119870562911
Energy: 1.8252929922740526
Energy: 0.8850847671691342
Energy: 0.8708734585801367
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Energy: 0.9637183353147043
Energy: 0.9647760693843209
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Energy: 1.0295836716775273
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Energy: 1.1109165402268806
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Energy: 1.1573910159128409
Energy: 0.9198919827452652
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Energy: 1.0105844618446669
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Energy: 0.9439692403080288
Energy: 0.918734855542207
Energy: 1.1298634590887404
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Energy: 0.9033515407941105
Energy: 0.9380784109519553
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Energy: 0.9788618310821303
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Energy: 0.9606966105227192
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Energy: 0.9693651580104139
Energy: 0.9587023745602401
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Energy: 0.9018301930628098
Energy: 0.9995082221265822
Energy: 0.8976849629341491
Energy: 1.0632538183734488
Energy: 0.9010921115114892
Energy: 0.9033454776098063
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Energy: 0.8978019573730639
Energy: 1.0658928025527208
Energy: 0.8984893483994814
Energy: 1.0016612943262655
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Energy: 1.0442561790024862
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Energy: 0.8895948029599741
Energy: 0.965855331440025
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Energy: 1.1580368535145862
Energy: 1.1241981290590983
Energy: 1.083677192988866
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Energy: 0.9198114804317409
Energy: 1.095518087580134
Energy: 0.9301506629800947
Energy: 0.9843232680879802
Energy: 0.9708946875501917
Energy: 0.9204780005648476
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Energy: 0.9372394287532906
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Energy: 0.9633233636745491
Energy: 0.9365603593614651
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Energy: 0.9202077933929622
Energy: 0.9181891992361122
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Energy: 1.0670691891400026
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Energy: 0.9589026067140889
Energy: 1.0785330364136898
Energy: 0.9636058489161625
Energy: 1.0123368761918923
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Energy: 1.0116780997964245
Energy: 0.9575717645758663
Energy: 0.9981638776377906
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Energy: 0.952118680644336
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Energy: 1.0141110841335645
Energy: 1.017901418518301
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Energy: 0.9513748521551892
Energy: 1.0555044880516484
Energy: 0.962143327573284
Energy: 0.9441613830123131
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Energy: 0.937233284119044
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Energy: 1.008808150770719
Energy: 0.9873246836039307
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Energy: 0.9373345620448966
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Energy: 1.0103422487699978
Energy: 0.9726743890101409
Energy: 0.9194524218448521
Energy: 0.9360119194110514
Energy: 1.0957367414098913
Energy: 0.9361544494689186
Energy: 0.9547563223398046
Energy: 0.9167620356790525
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Energy: 1.0938080722915537
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Energy: 0.8982946502714668
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Energy: 0.9036934121426206
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Energy: 1.1163263199932845
Energy: 1.116277449300992
Energy: 0.8845574939363857
Energy: 0.8861555054722391
Energy: 0.9355001250552201
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Energy: 0.9188821424812357
Energy: 0.8846017437020144
Energy: 0.9609057532222933
Energy: 0.8972302526661677
Energy: 0.9837725581337146
Energy: 0.9228464301499885
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Energy: 0.961799975816405
Energy: 0.8976755560142109
Energy: 1.4491099714591915
Energy: 0.9204315469922569
Energy: 0.8863329340072534
Energy: 0.9003991908576023
Energy: 0.9296905260890629
Energy: 0.9789175989227986
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Energy: 0.986492866461934
Energy: 0.8872421328971114
Energy: 0.9640081929067987
Energy: 0.9782396305077351
Energy: 0.8997925737853524
Energy: 0.9858766325439504
Energy: 0.9041100891176685
Energy: 0.9772606417111165
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Energy: 0.9787756956627667
Energy: 0.8966616780673918
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Energy: 0.9053681602581166
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Energy: 0.9545222668276225
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Energy: 0.9198451590570678
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Energy: 0.9203468562491679
Energy: 1.1315974298947942
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Energy: 0.9436674793020349
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Energy: 0.9632182064636131
Energy: 0.9399524686053723
Energy: 0.9252935519904985
Energy: 0.9440431653584413
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Energy: 0.9673218039078997
Energy: 1.0227039933476774
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Energy: 0.9576173237836367
Energy: 0.9671875035834012
Energy: 1.0225113376384205
Energy: 1.0114674719795542
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Energy: 0.9534247688692907
Energy: 0.9748657989055168
Energy: 0.9526820149923243
Energy: 1.0126066107786313
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Energy: 0.9575674648812029
Energy: 0.9760441917799075
Energy: 0.95754307126575
Energy: 0.903676684750022
Energy: 0.9548116990591213
Energy: 0.964433525547472
Energy: 1.1117693463972858
Energy: 0.9700726289500147
Energy: 1.2751028303300613
Energy: 0.9777090735866986
Energy: 0.9780195189840521
Energy: 0.9515169124206243
Energy: 0.9575466216821594
Energy: 0.9782426444092687
Energy: 0.9618117604957735
Energy: 0.9435876525528041
Energy: 0.9140893383954405
Energy: 0.9682685756015783
Energy: 0.9572145065945914
Energy: 0.9201023952602274
Energy: 0.9502565293684229
Energy: 0.9150251633447708
Energy: 1.0981697437731122
Energy: 0.9577197724490393
Energy: 0.9200743284827703
Energy: 0.9438175704667512
Energy: 0.9408272754469956
Energy: 0.9773281795003667
Energy: 0.9733817446152416
Energy: 0.9152754476730472
Energy: 1.0955728863720677
Energy: 0.9407939266814692
Energy: 0.9771952556566473
Energy: 0.9610460950675354
Energy: 0.9148031258248778
Energy: 1.0961471343596754
Energy: 0.9378465759479276
Energy: 1.072242135536272
Energy: 0.898087411101897
Energy: 0.8991797956727065
Energy: 0.8870355653618353
Energy: 0.9375367468392186
Energy: 0.9837602245208015
Energy: 0.8980873488439713
Energy: 0.8954257594866596
Energy: 0.8861901891048971
Energy: 0.9191454739533811
Energy: 0.9736218446799747
Energy: 0.8851093485222592
Energy: 0.9068566038288493
Energy: 0.8853591719013691
Energy: 0.9188468262743998
Energy: 0.9741105563291047
Energy: 0.8850144212838628
Energy: 0.9169895685958422
Energy: 0.8850473500256916
Energy: 0.9839520030693705
Energy: 0.9527828544783494
Energy: 0.9026635407578816
Energy: 0.8908459793937006
Energy: 0.8846243852075273
Energy: 0.9648599119298827
Energy: 0.9187083482651516
Energy: 0.9823706450045506
Energy: 0.8922383529057695
Energy: 0.8861322266720215
Energy: 1.067084770224572
Energy: 0.8857729450145603
Energy: 0.9937757590914664
Energy: 0.8987096537721573
Energy: 0.9007449533201618
Energy: 1.0791672950005782
Energy: 0.9031693623741585
Energy: 0.9864351652637167
Energy: 0.8980980107182768
Energy: 0.9258298118525774

minimum gb energy = 0.8708734585801367 eV
minimum distance =  2.36179648592903 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.5258907391209805
Energy: 0.6483122578292076
Energy: 0.6693959945615543
Energy: 0.6326194419248911
Energy: 0.4600261949105573
Energy: 0.4399537049429997
Energy: 0.7735370662407643
Energy: 0.6588063090772123
Energy: 0.6384572824689149
Energy: 0.5263556121173858
Energy: 0.7810660985693153
Energy: 0.6589253562426706
Energy: 0.639375093372954
Energy: 0.6361831455821437
Energy: 0.7132525302321192
Energy: 0.7742887237663119
Energy: 0.6578294967431656
Energy: 0.639279962736055
Energy: 0.6267883354905722
Energy: 0.755896291190829
Energy: 0.7675318966042122
Energy: 0.6502151179375947
Energy: 0.6460799759045592
Energy: 0.6229084978627858
Energy: 0.482119618515229
Energy: 0.7674591410235407
Energy: 0.6607793406171405
Energy: 0.6676843262034874
Energy: 0.6140705436895353
Energy: 0.4821969299226035
Energy: 0.43936035628489867
Energy: 0.6568062502242697
Energy: 0.6509957653415618
Energy: 0.7520590953447698
Energy: 0.43925808188894244
Energy: 0.4393898600558139
Energy: 0.6753330442170762
Energy: 0.6533628797965051
Energy: 0.7420876540013194
Energy: 0.4392302891609315
Energy: 0.7374906943333895
Energy: 1.3065499020614488
Energy: 0.6494069767528071
Energy: 0.7697429981336055
Energy: 0.8031022649388802
Energy: 0.6506139842983846
Energy: 0.6525497103538174
Energy: 0.6500110283010837
Energy: 0.7590489337472466
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Energy: 0.6526944947766197
Energy: 0.6552179883522677
Energy: 0.6541736223293853
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Energy: 0.48324175586698925
Energy: 0.6592099921736441
Energy: 0.6553754005557716
Energy: 0.6432825916819529
Energy: 0.4727726421786715
Energy: 0.4833743359166443
Energy: 0.6911217486497797
Energy: 0.6507812019717253
Energy: 0.6567185184410494
Energy: 0.47287809949152393
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Energy: 0.6583764861104802
Energy: 0.47380726877615853
Energy: 0.6590386654880603
Energy: 0.6794482588556572
Energy: 0.6445670945413636
Energy: 0.7015805056695387
Energy: 0.7784569225363643
Energy: 0.660147895702402
Energy: 1.3045394628840514
Energy: 0.6412134344720085
Energy: 0.7084879754812851
Energy: 0.7799624744302036
Energy: 0.6630510966964773
Energy: 0.6542224941048826
Energy: 0.6402829977919049
Energy: 0.43926291875949475
Energy: 0.439459575386401
Energy: 0.6589630758082409
Energy: 0.6482466008744716
Energy: 0.6350998515362827
Energy: 0.4392683405596265
Energy: 0.4600308631186405
Energy: 0.6589407468138129
Energy: 0.6398092800990736
Energy: 0.6450199436320981
Energy: 0.47725090463426084
Energy: 0.6433538618985382
Energy: 0.6510140508931075
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Energy: 0.6387007392744268
Energy: 0.4874434908342725
Energy: 0.6448581989594367
Energy: 0.6673738397980106
Energy: 0.6443180397770814
Energy: 0.6954322997482245
Energy: 0.4919556385705954
Energy: 0.6921811314249037
Energy: 0.6685801184240117
Energy: 0.6352195155380173
Energy: 0.5089321886000864
Energy: 0.5221778896926881
Energy: 0.6574069803257426
Energy: 1.3130367350467773
Energy: 0.6300316879628567
Energy: 0.4600711623607509
Energy: 0.43927315859759863
Energy: 0.6503136346252437
Energy: 0.6498322965403357
Energy: 0.6350382542367874
Energy: 0.5034294681916709
Energy: 0.48269715236745026
Energy: 0.651556161660437
Energy: 0.6453623473428391
Energy: 0.6341331217663122
Energy: 0.6372426432647945
Energy: 0.695452758342008
Energy: 0.6608309947926424
Energy: 0.6450319016044609
Energy: 0.6441547518111891
Energy: 0.7740042031691636
Energy: 0.648485118299569
Energy: 0.6542813946313206
Energy: 0.6418829984676186
Energy: 0.4730062883218166
Energy: 0.4732533045915393
Energy: 0.6521093409533663
Energy: 0.6733263248520434
Energy: 0.6865444544199077
Energy: 0.4729142318542903
Energy: 0.4729237101946555
Energy: 0.6439544109057473
Energy: 0.66587435211558
Energy: 0.6861223489691405
Energy: 0.483389354302517
Energy: 0.472801382143543
Energy: 0.6948445790541458
Energy: 0.6541942295421688
Energy: 0.650716984645898
Energy: 0.48338883080337564
Energy: 0.4727922785489781
Energy: 0.6628615275196127
Energy: 0.652294287459777
Energy: 0.651041773244912
Energy: 0.7714188619509788
Energy: 0.7328971922762473
Energy: 0.6589903876372945
Energy: 0.6534132740471199
Energy: 0.6517082811981746
Energy: 0.758291174893698
Energy: 0.7424747798885908
Energy: 0.6605542527411865
Energy: 0.6526530765007879
Energy: 0.652174165207803
Energy: 0.4392259783556795
Energy: 0.6737744397161483
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Energy: 0.6444522307903932
Energy: 0.43969744018444856
Energy: 0.4392353036847199
Energy: 0.6697571853639378
Energy: 0.6737586237060638
Energy: 0.6472430249303361
Energy: 0.4400732250300025
Energy: 0.48235426240578794
Energy: 0.6570409094649384
Energy: 1.2999664430372049
Energy: 0.6458668254359625
Energy: 0.655873121931915
Energy: 0.48206762391300323
Energy: 0.6574140712129752
Energy: 0.6399848652122822
Energy: 0.6475240905313304
Energy: 0.8046599332833225
Energy: 0.7175101771610629
Energy: 0.6865899954891385
Energy: 0.6559859681622506
Energy: 0.6746435457544668
Energy: 0.4810852858328793
Energy: 0.7281299380783257
Energy: 0.6874181271783041
Energy: 0.6543122529004403
Energy: 0.6816459149831107
Energy: 0.4773865256968935
Energy: 0.4395666330649548
Energy: 0.6609868602557247
Energy: 0.6443640144184782
Energy: 0.628158702470384
Energy: 0.43988548369152486
Energy: 0.43941861622303086
Energy: 0.6711838938524204
Energy: 0.649928692334664
Energy: 0.4720801486769854
Energy: 0.4392696511047431
Energy: 0.6432446188353075
Energy: 0.6677870656305915
Energy: 0.6446796384958041
Energy: 0.6484994124072205
Energy: 0.8063733005902836
Energy: 0.6430237866629628
Energy: 1.303419265647984
Energy: 0.6492353250267712
Energy: 0.6492904406762559
Energy: 0.7627694634499015
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Energy: 0.6807439800740726
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Energy: 0.4820366468596593
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Energy: 0.6537384753143467
Energy: 0.6471060703898796
Energy: 0.637112888400831
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Energy: 0.4827485776312557
Energy: 0.6684782706123534
Energy: 0.6441545165689593
Energy: 0.6980903456225819
Energy: 0.47384793358106136
Energy: 0.4393268261956672
Energy: 0.6745463427342809
Energy: 0.6467211315000346
Energy: 0.6394429978788942
Energy: 0.7916806740931224
Energy: 0.6546346416674531
Energy: 0.6699516183189387
Energy: 0.645432517938882
Energy: 0.6344962706147477
Energy: 0.7301725117440913
Energy: 0.6515234584795395
Energy: 0.653966243879766
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Energy: 0.6528162219762672
Energy: 0.6666486555363264
Energy: 0.6879102363141744
Energy: 0.43932897584954195
Energy: 0.483280631200999
Energy: 0.6581791440023399
Energy: 0.6479133654118931
Energy: 0.6975716571223236
Energy: 0.48342962977908227
Energy: 0.4819619513605491
Energy: 0.6709218605899949
Energy: 0.6397779078128094
Energy: 0.6515516191871477
Energy: 0.48354929051296613
Energy: 0.4684383622378342
Energy: 0.6748917744129731
Energy: 0.6474230374752333
Energy: 0.653369469066036
Energy: 0.769001853512879
Energy: 0.692430195442165
Energy: 0.6740876967536533
Energy: 0.6421485078959196
Energy: 0.6515630399521121
Energy: 0.7905549087400919
Energy: 0.6930712492853642
Energy: 0.6755670505299546
Energy: 0.6400544307829383
Energy: 0.4393058532231314
Energy: 0.4392845363666814
Energy: 0.658073183059796
Energy: 0.6550226317836695
Energy: 0.6406677679466493
Energy: 0.43928827988785474
Energy: 0.4392979160146531
Energy: 0.6583699906387533
Energy: 0.6527771979121377
Energy: 0.6395188900506722
Energy: 0.7012614552378326
Energy: 0.47323047717317146
Energy: 0.6596153623489781
Energy: 0.6501952488950272
Energy: 0.6494244775337824
Energy: 0.6559207456860192
Energy: 0.6587208563712084
Energy: 0.6583050624645468
Energy: 0.6514227617026684
Energy: 0.7331491614523602
Energy: 0.48702829320477725
Energy: 0.7365203800045824
Energy: 0.6877367458925387
Energy: 0.6461020909434941
Energy: 0.743157663183603
Energy: 0.4919727752830685
Energy: 0.6655011271623681
Energy: 0.6880245607234742
Energy: 0.6443861376829341
Energy: 0.4833450009837147
Energy: 0.43928336872970697
Energy: 0.7629305262940086
Energy: 0.6550053727909592
Energy: 0.645248542415479
Energy: 0.4833551862963631
Energy: 0.4392708161879113
Energy: 0.6580741191307358
Energy: 0.6402064289129682
Energy: 0.6302039308187681
Energy: 0.7803251814797622
Energy: 0.7770157096235938
Energy: 0.6462569057820305
Energy: 0.6560440974864191
Energy: 0.656592067471595
Energy: 0.7738797009507375
Energy: 0.7044031858712393
Energy: 0.6417925151554242
Energy: 0.6438235999521752
Energy: 0.6418340961594775
Energy: 0.551544336590279
Energy: 0.6464840096614023
Energy: 0.6532976574172897
Energy: 0.6449259986119166
Energy: 0.7641543752919727
Energy: 0.4728632070353462
Energy: 0.7289704805791204
Energy: 0.6578634621355312
Energy: 0.6725238533119021
Energy: 0.546820024812231

minimum gb energy = 0.4392259783556795 eV
minimum distance =  2.40723532563392 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.590807901432028
Energy: 0.8865220388975535
Energy: 0.9170161847357478
Energy: 0.8626280840529496
Energy: 0.879630814704772
Energy: 1.5720714258799713
Energy: 0.8725290036372148
Energy: 0.9597295074904928
Energy: 0.8603192791645392
Energy: 0.8847910958121672
Energy: 0.906310817753599
Energy: 0.872587149870761
Energy: 0.8631618314412836
Energy: 0.8649438615166802
Energy: 0.8475229024046913
Energy: 0.8913632463104341
Energy: 0.8751563805430269
Energy: 0.8630134682910657
Energy: 0.8547697590497725
Energy: 0.8619560930907691
Energy: 0.8727812019626622
Energy: 0.8594828764313146
Energy: 0.8577167930452791
Energy: 0.9130038761065535
Energy: 0.8643687438604982
Energy: 0.840792132418038
Energy: 0.8655562742900591
Energy: 0.8621218533815755
Energy: 0.8726116684612791
Energy: 0.8659317468222921
Energy: 1.0302063029182422
Energy: 0.9043809323601468
Energy: 0.9536021609597993
Energy: 0.8671270867550968
Energy: 1.1478763234078346
Energy: 1.0299631568146335
Energy: 0.9074150556935732
Energy: 0.902312693422415
Energy: 0.8807367835529756
Energy: 0.9021173789662211
Energy: 0.8710646588793093
Energy: 0.8499580135505898
Energy: 0.9180148048926461
Energy: 0.8737261018541197
Energy: 0.9355776520155606
Energy: 0.8592598338133351
Energy: 0.8558524253533748
Energy: 0.9167548307862632
Energy: 0.8699061765234736
Energy: 0.9165281175105058
Energy: 0.8553902839404975
Energy: 0.8664593578426285
Energy: 0.957829202175711
Energy: 0.8739487032112535
Energy: 0.8620584113906163
Energy: 0.8713005761936274
Energy: 0.8724902465663629
Energy: 0.9613565598277927
Energy: 0.8738736801872051
Energy: 0.8620833947107928
Energy: 1.0104240572093932
Energy: 0.9864448238573006
Energy: 0.8481177922601119
Energy: 0.901062303435667
Energy: 0.8716921902961382
Energy: 0.9965645533904662
Energy: 0.9863931734546825
Energy: 0.8470518622016718
Energy: 0.842585918675891
Energy: 0.8775512261832487
Energy: 0.8700374247104082
Energy: 0.8779891577827003
Energy: 0.869954460908755
Energy: 0.8907236659714957
Energy: 0.873873534121286
Energy: 0.8941073398208532
Energy: 0.8857526791782938
Energy: 0.8684587621076809
Energy: 0.9009778626316716
Energy: 0.8683704374122909
Energy: 0.8843419295231733
Energy: 0.8526429843329709
Energy: 0.9375599926713832
Energy: 0.882626673097094
Energy: 0.8742355821164787
Energy: 0.8879471421111285
Energy: 0.8515936062792403
Energy: 0.9362392191624735
Energy: 0.879407297028093
Energy: 0.8736392067819624
Energy: 1.1103613944885762
Energy: 0.8877635216302928
Energy: 0.8920556886966706
Energy: 0.870156323547754
Energy: 0.8402978132352825
Energy: 1.3519409332164594
Energy: 0.8857037658141189
Energy: 0.987761068724565
Energy: 0.8681314660494849
Energy: 0.876910340385572
Energy: 0.8777084725777788
Energy: 0.8780438157670211
Energy: 0.876523423227618
Energy: 0.8744209734257736
Energy: 0.8665542938854104
Energy: 0.8747272264756394
Energy: 0.876236713782428
Energy: 0.8839098406771115
Energy: 0.8784253566490534
Energy: 0.8737812035719389
Energy: 0.8414984478486943
Energy: 0.906940562376786
Energy: 0.9767330722384012
Energy: 0.8832951098358621
Energy: 0.8688984905100384
Energy: 0.840958814148715
Energy: 0.9310231594232251
Energy: 1.0684408120504916
Energy: 0.8829834957893082
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Energy: 0.9881053566425034
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Energy: 0.852304314331276
Energy: 0.8848664975461608
Energy: 1.1498865081050837
Energy: 0.8543729954091233
Energy: 0.978209354703305
Energy: 0.9740597744744961
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Energy: 0.8424643116959218
Energy: 0.8466902963046644
Energy: 0.9889956051303215
Energy: 0.9827386163342413
Energy: 0.8658208446837753
Energy: 0.8776448268586775
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Energy: 0.8578331236200031
Energy: 0.8772746910746699
Energy: 0.8897663525591731
Energy: 0.8657084108641979
Energy: 1.0309437962182504
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Energy: 0.8612208664428725
Energy: 0.902321823087168
Energy: 0.8688386447953586
Energy: 0.926368826143841
Energy: 0.8617840562118745
Energy: 0.8649404644619044
Energy: 0.8902390548066841
Energy: 0.8754694385290397
Energy: 0.9380303476128693
Energy: 0.8645324610589885
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Energy: 0.8334219599103145
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Energy: 0.9558718730169864
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Energy: 0.8812905478858053
Energy: 0.832326048191091
Energy: 0.9569669293560844
Energy: 0.8590246398242211
Energy: 0.8949073814030719

minimum gb energy = 0.832326048191091 eV
minimum distance =  2.30220588477615 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.5829908684918628
Energy: 1.0167125163835398
Energy: 1.187762279422019
Energy: 1.074148054851712
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Energy: 1.1059712839656157
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Energy: 1.0957338548877729
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Energy: 1.098535347097475
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Energy: 1.3212897774215009
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Energy: 1.3965165997332618
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Energy: 1.0545215075376486
Energy: 1.3960399294525045
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Energy: 1.1140128622534415
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Energy: 1.0622059385318545
Energy: 1.0478075343926807
Energy: 1.0981432414460974
Energy: 1.0731537006643126
Energy: 1.040001542194334
Energy: 1.0941744827175035
Energy: 1.1357007321786963
Energy: 1.098083055107411
Energy: 1.0731846070712303
Energy: 1.0398782564147966
Energy: 1.0545260291703524
Energy: 1.0765853782964736
Energy: 1.025699399846376
Energy: 1.066749402728542
Energy: 1.0130693147122636
Energy: 1.0872431792048691
Energy: 1.0740016084238508
Energy: 1.0287837949110208
Energy: 1.066316724340136
Energy: 1.0054465201190936
Energy: 1.087257022491875

minimum gb energy = 1.0054465201190936 eV
minimum distance =  2.34609539137128 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.781043438327971
Energy: 1.263748887169494
Energy: 1.3704420460916722
Energy: 1.1967462943690101
Energy: 1.459798208931978
Energy: 1.7773267228214624
Energy: 1.273919815432887
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Energy: 1.2175329302204605
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Energy: 1.2008355373500983
Energy: 1.2932714990397234
Energy: 1.4316216087954876
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Energy: 1.2125928574595517
Energy: 1.4291398620439155
Energy: 1.430175092793148
Energy: 1.16831474121466
Energy: 1.2004039061944298
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Energy: 1.4076166215364772
Energy: 1.517470913344533
Energy: 1.3737961210401621
Energy: 1.465812934387954
Energy: 1.439316955711028
Energy: 1.327086845909917
Energy: 1.5151981298832164
Energy: 1.4281748826618728
Energy: 1.4686632792675662
Energy: 1.291311825902068
Energy: 1.4578958147594583
Energy: 1.4261777291689877
Energy: 1.334952167288525
Energy: 1.1712621252822581
Energy: 1.311678214674288
Energy: 1.512458287107882
Energy: 1.6031040649163915
Energy: 1.2822591974441846
Energy: 1.171829002174219
Energy: 1.1688481425174597
Energy: 1.419700248200097
Energy: 1.2811671285372712
Energy: 1.2186403567161297
Energy: 1.1762596892223838
Energy: 1.2018443314232023
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minimum gb energy = 1.1537170964181158 eV
minimum distance =  2.32209734497689 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.291194509994899
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Energy: 1.4719571447089608
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Energy: 1.2389242929278177
Energy: 1.242488692904957
Energy: 1.2310132345132638
Energy: 1.4720667541636856
Energy: 1.3255632017891612
Energy: 1.2723282422475746
Energy: 1.2565299255809734
Energy: 1.2722249354958164
Energy: 1.3809652313123366
Energy: 1.2489058114257425
Energy: 1.2525397524525865
Energy: 1.2564875294632003
Energy: 1.2720482203402532
Energy: 1.3807533175407922
Energy: 1.2490318236487292
Energy: 1.2645140599817881
Energy: 1.2433400749942947
Energy: 1.4183029480964822
Energy: 1.3091220793288147
Energy: 1.252757951171548
Energy: 1.2644240394347235
Energy: 1.243398814095581
Energy: 1.4182013995812435
Energy: 1.295460137602047
Energy: 1.2846167984313028
Energy: 1.4951216489115229
Energy: 1.3138571955757383
Energy: 1.370790125175631
Energy: 1.4313197135250701
Energy: 1.271587898124039
Energy: 1.4949363622844145
Energy: 1.3137351986237198
Energy: 1.3746849558903729
Energy: 1.4351287520501619
Energy: 1.3180994684301013

minimum gb energy = 1.1516813408107194 eV
minimum distance =  2.31630796340399 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: 1.1010912192674245
Energy: 1.2272662218366217
Energy: 1.2468043342400488
Energy: 1.0907527113585391
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Energy: 1.2469150539611042
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Energy: 1.1661490018205491
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Energy: 1.141702895146036
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Energy: 1.101229957159834
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Energy: 1.1777892072675333
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Energy: 1.101239246541306
Energy: 1.1012753196300538
Energy: 1.1736942721233696
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Energy: 1.1011540561176294
Energy: 1.1012286101504756
Energy: 1.1769733422177895
Energy: 1.1012931391506182
Energy: 1.1657380514572724
Energy: 1.1413546039540174
Energy: 1.1012615827646848
Energy: 1.3449938112543085
Energy: 1.1012966923558443
Energy: 1.165285661088324
Energy: 1.1413857835541195
Energy: 1.1332776019773299
Energy: 1.0909438086416798
Energy: 1.1009073353927148
Energy: 1.141444299854638
Energy: 1.2258317273307313
Energy: 1.1333356311343552
Energy: 1.1012123307113502
Energy: 1.100949922066861
Energy: 1.1670512467511684
Energy: 1.1342721351071647
Energy: 1.1333432449917034
Energy: 1.1013522649534697
Energy: 1.3765255990478067
Energy: 1.101266262531229
Energy: 1.175682466519287
Energy: 1.133335144098989
Energy: 1.1336653562138659
Energy: 1.3761344939160924
Energy: 1.1010646427590705
Energy: 1.1341814641503671
Energy: 1.1659863320747175
Energy: 1.1009423085103862
Energy: 1.1774264723459247
Energy: 1.1009246074295183
Energy: 1.1007874485099287
Energy: 1.1659776302627103
Energy: 1.1008148211571507
Energy: 1.131390014767638
Energy: 1.101073865952972
Energy: 1.1008558757198301

minimum gb energy = 1.0906584347063042 eV
minimum distance =  2.33713030908271 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

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Energy: 1.35922024495862
Energy: 1.5390757008429172
Energy: 1.32729121968339
Energy: 1.3370507485967722
Energy: 1.728495282325486
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Energy: 1.3590817112696696
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Energy: 1.1841431755103236
Energy: 1.1970295866709828
Energy: 1.299228713058583
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Energy: 1.183591367524442
Energy: 1.1392266128932382
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Energy: 1.4211853053486163
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Energy: 1.139163364154246
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Energy: 1.4129429869149517
Energy: 1.306154016256043
Energy: 1.4279096818946022
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Energy: 1.228306311555759
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Energy: 1.2179280557818306
Energy: 1.2761366787833992
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Energy: 1.3315416492948189
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Energy: 1.3452459413768836
Energy: 1.3142876039881133
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Energy: 1.682798030813141
Energy: 1.3621312304850441
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Energy: 1.3180124441027
Energy: 1.2348548312898273
Energy: 1.1512958077514643
Energy: 1.3178359196782623
Energy: 1.5424263316850038
Energy: 1.3560927078134406
Energy: 1.202392952533197
Energy: 1.150421582374019
Energy: 1.3170646720270422
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Energy: 1.1827781218158897
Energy: 1.1801915733780575
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Energy: 1.2960738015377717
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Energy: 1.2889638055766617
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Energy: 1.1612191044354745
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Energy: 1.2494204744111284
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Energy: 1.6716742752872744
Energy: 1.3336473396139705
Energy: 1.2739440248764422
Energy: 1.5511398023533138
Energy: 1.3295252308017582
Energy: 1.2084481991251326
Energy: 1.313882366883975
Energy: 1.2979863604284778
Energy: 1.5514196897539845
Energy: 1.2096279506389989
Energy: 1.1890002565926123
Energy: 1.2950127581314184
Energy: 1.5831696441631675
Energy: 1.3131343158117086
Energy: 1.1617902751450295
Energy: 1.2148140770735978
Energy: 1.195918183201551
Energy: 1.5604759464622182
Energy: 1.3082132915493792
Energy: 1.1619068022608652
Energy: 1.1763374848164738
Energy: 1.1944949397078932
Energy: 1.3992733447210106
Energy: 1.2753553672427744
Energy: 1.1659950976999855
Energy: 1.2330129035746613
Energy: 1.3109666174154182
Energy: 1.396377676520011
Energy: 1.2737000501540505
Energy: 1.1734263799883689
Energy: 1.176219565322003
Energy: 1.3115620270426491
Energy: 1.5822705751673007
Energy: 1.2867076917201177
Energy: 1.2792705036199001
Energy: 1.3339874881537797
Energy: 1.3024043780986674
Energy: 1.5799034317143619
Energy: 1.3115338928502065
Energy: 1.559927321479964
Energy: 1.3520200427927904
Energy: 1.3200615145704886
Energy: 1.2837116334330587
Energy: 1.2386848944676854
Energy: 1.3407516081809938
Energy: 1.2490917275619802
Energy: 1.2187136181195133
Energy: 1.2680703208208555
Energy: 1.238088336150308
Energy: 1.3551246060081283
Energy: 1.2481573367187204
Energy: 1.218866249692186
Energy: 1.2432945610399204
Energy: 1.3362849470970624
Energy: 1.286322109623927
Energy: 1.2656454656701375
Energy: 1.2058622708686966
Energy: 1.2722967980652788
Energy: 1.3870155720353232
Energy: 1.286072772440459
Energy: 1.2653183914835713
Energy: 1.2142368530517007
Energy: 1.2907713649878036
Energy: 1.3047373267445814
Energy: 1.352713905270449
Energy: 1.2924310400925145
Energy: 1.1645952995448943
Energy: 1.2905532865507738
Energy: 1.308696098859526
Energy: 1.316178867556643
Energy: 1.3182270464198262
Energy: 1.1636704805853098
Energy: 1.2835801700025034
Energy: 1.3692862058017958
Energy: 1.4982695537686437
Energy: 1.319571756241661
Energy: 1.6858544132408346
Energy: 1.2785918413065889
Energy: 1.3621443752024072
Energy: 1.4806453719077
Energy: 1.3279907469251473
Energy: 1.8233700132584854
Energy: 1.3816474751390193
Energy: 1.3895882308896046
Energy: 1.5064381433041956
Energy: 1.3321482321032576
Energy: 1.1466108866131939
Energy: 1.3453659506268267
Energy: 1.3889397115861988
Energy: 1.5106794271149557
Energy: 1.3325144412666357
Energy: 1.1491461819893682
Energy: 1.1401236581964496
Energy: 1.337718901689107
Energy: 1.1854396775097915
Energy: 1.1739392832268922
Energy: 1.1478244652505376
Energy: 1.1436732292031415
Energy: 1.499304098544064
Energy: 1.1975873177973626
Energy: 1.160391656622995
Energy: 1.1481656756946013
Energy: 1.19595008567228
Energy: 1.672067347865065
Energy: 1.3202288619288063
Energy: 1.1611241798289844
Energy: 1.1946160071490408
Energy: 1.2518283399184722
Energy: 1.257344927386418
Energy: 1.3537553353067278
Energy: 1.1648590886464747
Energy: 1.1966002190157354
Energy: 1.3418804945852645
Energy: 1.2130998377741895
Energy: 1.296234903862589
Energy: 1.3938703509348653
Energy: 1.3050774430458572
Energy: 1.4044441729144779
Energy: 1.2229736151587314
Energy: 1.175104822957989
Energy: 1.3898478062176838
Energy: 1.303458120732816
Energy: 1.22499628637033
Energy: 1.1671805162380093
Energy: 1.3077050634371408
Energy: 1.5058315469947454
Energy: 1.4705788025825248
Energy: 1.168004007083691
Energy: 1.160543601578276
Energy: 1.3056376143757844
Energy: 1.515698808468604
Energy: 1.2995479260334233
Energy: 1.1479982476925188
Energy: 1.1596584894794564
Energy: 1.1738496515213692
Energy: 1.5420435005476691
Energy: 1.152632639129175
Energy: 1.1478305784340974
Energy: 1.1610366408975588
Energy: 1.2333056576455272
Energy: 1.351559282760366
Energy: 1.1535859713381011
Energy: 1.142208798219498
Energy: 1.4794098841035994
Energy: 1.4202028506955162
Energy: 1.3541501310120032
Energy: 1.3345119111315547
Energy: 1.1421076933306837
Energy: 1.4502620257213006
Energy: 1.4214299551453653
Energy: 1.3326106363123296
Energy: 1.3385005434112345
Energy: 1.5378010456240014
Energy: 1.363348089635308
Energy: 1.3369980221076436
Energy: 1.4077609830376747
Energy: 1.4394621202619526
Energy: 1.625982154111872
Energy: 1.3623967716261656
Energy: 1.3373738107534103
Energy: 1.3397473886138336
Energy: 1.372179312702729

minimum gb energy = 1.139163364154246 eV
minimum distance =  2.31575886548942 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.5371388249812714
Energy: 1.2005594174980445
Energy: 1.2584242869900395
Energy: 1.2897030136642122
Energy: 1.179296956756151
Energy: 1.5378105687869252
Energy: 1.2007242142807286
Energy: 1.269973615808525
Energy: 1.2778534266489718
Energy: 1.2048937779427848
Energy: 1.1554084044445467
Energy: 1.2762600262790456
Energy: 1.16853882125608
Energy: 1.2227755819458437
Energy: 1.516500773545055
Energy: 1.1547986736500544
Energy: 1.2754879596027382
Energy: 1.3226377815980495
Energy: 1.2630840419479115
Energy: 1.491211611298332
Energy: 1.1261125705894144
Energy: 1.2535823645794668
Energy: 1.3528713761147926
Energy: 1.1867555960412695
Energy: 1.2209034710838305
Energy: 1.1262987946298324
Energy: 1.236918344629343
Energy: 1.37186653473314
Energy: 1.2090555131831378
Energy: 1.2264531716803941
Energy: 1.209267965107784
Energy: 1.1470426557519158
Energy: 1.2900727120962043
Energy: 1.1550837334255022
Energy: 1.237972095107292
Energy: 1.190911143425514
Energy: 1.160537133336393
Energy: 1.289752898003829
Energy: 1.1990792303341247
Energy: 1.2381098097509087
Energy: 1.1648178703578724
Energy: 1.2835016231243215
Energy: 1.434148870943162
Energy: 1.1538651242846618
Energy: 1.2613618355070302
Energy: 1.1641288813132504
Energy: 1.342602810866944
Energy: 1.297293558667715
Energy: 1.154361012677106
Energy: 1.2623738515472087
Energy: 1.2681409636667018
Energy: 1.1562507865132918
Energy: 1.25061663658599
Energy: 1.1739711030911046
Energy: 1.539353424089551
Energy: 1.2684316462683105
Energy: 1.1810591655476372
Energy: 1.242893258631095
Energy: 1.192238381177561
Energy: 1.5398537938967956
Energy: 1.1448856952582045
Energy: 1.125433671827356
Energy: 1.196388170007904
Energy: 1.348801602316916
Energy: 1.2209895360111873
Energy: 1.1577078806180907
Energy: 1.1263732974540455
Energy: 1.1572923858469375
Energy: 1.3244548081223873
Energy: 1.2332656649986882
Energy: 1.2512641703836176
Energy: 1.1570558103498294
Energy: 1.1880913784027565
Energy: 1.4405881633862239
Energy: 1.2377749065114398
Energy: 1.2209992585531964
Energy: 1.1353644386679802
Energy: 1.18129109449267
Energy: 1.4480554310587892
Energy: 1.2475124832593592
Energy: 1.1749135447055956
Energy: 1.6317539693622878
Energy: 1.2904607459134014
Energy: 1.3753116327869812
Energy: 1.3035442740524614
Energy: 1.178133977618714
Energy: 1.631846005729797
Energy: 1.2891915494152384
Energy: 1.3616052432615653
Energy: 1.2949906457239775
Energy: 1.275205229273481
Energy: 1.4394534610471423
Energy: 1.281317481505426
Energy: 1.4237060431804585
Energy: 1.2791490918200163
Energy: 1.3226126279057746
Energy: 1.4253808828087726
Energy: 1.27429175499392
Energy: 1.33748950001015
Energy: 1.2418066685028684
Energy: 1.142459747974108
Energy: 1.1073214830971436
Energy: 1.2435586072402842
Energy: 1.4726008318679193
Energy: 1.368248018813063
Energy: 1.1026745592998495
Energy: 1.104876722868815
Energy: 1.2756074596916247
Energy: 1.4725018965173562
Energy: 1.1441564457739712
Energy: 1.1056059894215404
Energy: 1.1058358486648932
Energy: 1.136962148028041
Energy: 1.3168238791096045
Energy: 1.1215113103133747
Energy: 1.0970018430790647
Energy: 1.1069660423124381
Energy: 1.3060041632082644
Energy: 1.3172824662454423
Energy: 1.1219169250858185
Energy: 1.193005655864239
Energy: 1.3162459508602717
Energy: 1.3199289900229834
Energy: 1.2668475535142794
Energy: 1.2315164958279932
Energy: 1.1079022653512223
Energy: 1.2306387371873122
Energy: 1.444971794130927
Energy: 1.263996753329997
Energy: 1.200447562828885
Energy: 1.7814536048286427
Energy: 1.3027871513701448
Energy: 1.3262182762243762
Energy: 1.102019768319226
Energy: 1.1193561787322968
Energy: 1.471982207375371
Energy: 1.2745053194122251
Energy: 1.3693785330847965
Energy: 1.1021464102385463
Energy: 1.369681430317006

minimum gb energy = 1.0970018430790647 eV
minimum distance =  2.3039026445274 Angstroms
sigma value = 33