Model name: model_name=Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.149100035429001
cohesive_energy=6.880871308375725
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.11239998930804e-20, 1.577469468127086e-19, 2.8023671505294e-19, 4.3016680228602603e-19, 5.477713737515279e-19, 6.31702998900252e-19, 6.94572410018412e-19, 7.43224105686456e-19, 7.846900391510099e-19, 8.23651770536622e-19, 8.620895901629159e-19, 9.006123251508118e-19, 9.37587357510264e-19, 9.713195843625e-19, 1.0007579778356159e-18, 1.025630167901832e-18, 1.045979413330266e-18, 1.062344045469942e-18, 1.075321676205342e-18, 1.085420195529444e-18, 1.0929968888316299e-18, 1.0982600390743199e-18, 1.1013474334480378e-18, 1.102350396020922e-18, 1.1012753354995079e-18, 1.0977841926140219e-18, 1.091295377246322e-18, 1.0810190163158459e-18, 1.0663478848783079e-18, 1.046859008302332e-18, 1.022066927067816e-18, 9.907940413487699e-19, 9.5068354931658e-19, 8.991110856447539e-19, 8.37653192141148e-19, 7.64770177060488e-19, 7.138994667543539e-19, 6.834340780588439e-19, 6.498973167559559e-19, 6.16102605014994e-19, 5.839917809163659e-19, 5.53010491344708e-19, 5.19563451933324e-19, 4.7727239750226e-19, 4.2140289609804593e-19, 3.5801918628037194e-19, 2.86943426442864e-19, 2.3278024315386e-19, 2.2520194767504e-19, 2.46845751823746e-19, 2.4846875675398798e-19, 1.9514992055110198e-19, -1.149431958587646e-19, -7.602648563656799e-19]
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: 0.021414297000150278
Energy: 2.286957246019593
Energy: 2.9145440460999303
Energy: 0.02180688298613163
Energy: 0.022104913395211267
Energy: 2.298569548743512
Energy: 0.022614289112195467
Energy: 0.3747625466766386
Energy: 0.49537904751171524
Energy: 0.8746489849216392
Energy: 0.36707206403272985
Energy: 0.8879569766246703
Energy: 0.5223124521887733
Energy: 0.37062447289175093
Energy: 0.3796957133878531
Energy: 0.4929870991514805
Energy: 0.8626171174662407
Energy: 0.37499577099755366
Energy: 0.9074469888280983
Energy: 0.4965976034554998
Energy: 0.3720153560379787
Energy: 0.4066949792569087
Energy: 0.4940158400437445
Energy: 1.079405506528893
Energy: 0.39716698616430324
Energy: 0.9111806011207952
Energy: 0.513835770726135
Energy: 0.40239930606329294
Energy: 0.3702829263641307
Energy: 0.4820829661604572
Energy: 0.8602521432124229
Energy: 0.35099991014631526
Energy: 0.8861752500951463
Energy: 0.4908166751654994
Energy: 0.35580886625201885
Energy: 0.021845214112122834
Energy: 0.4905422688973018
Energy: 0.9113033839357756
Energy: 0.02214392297929301
Energy: 0.021881512378268596
Energy: 0.5371700745437945
Energy: 0.38849287510224706

minimum gb energy = 0.021414297000150278 eV
minimum distance =  2.67746274633503 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 4.2769705135421665
Energy: 3.70742779912811
Energy: 3.6751734929647846
Energy: 1.991579250758625
Energy: 3.756690092485731
Energy: 3.66659893770068
Energy: 3.389589430484367
Energy: 2.3440670210790664
Energy: 2.2825519766326057
Energy: 2.3153403141129747
Energy: 2.339719674375478
Energy: 2.1266283978918814
Energy: 2.040705814447778
Energy: 2.3714714549573954
Energy: 2.1334815802237586
Energy: 2.220074638704041
Energy: 2.1947399281612787
Energy: 2.1269404601250903
Energy: 2.1930020473721408
Energy: 2.218609819973104
Energy: 2.1814908506591766
Energy: 2.127669866176258
Energy: 2.2518393983466107
Energy: 2.2364491515439333
Energy: 2.133025708290546
Energy: 2.20140317905332
Energy: 2.2122835997562524
Energy: 2.1496782997471517
Energy: 2.184915771701173
Energy: 2.132027980496524
Energy: 2.1428452327625953
Energy: 2.0990473564427257
Energy: 2.102313849391447
Energy: 2.1629952134636143
Energy: 2.160150414143199
Energy: 2.1730558058003417
Energy: 2.1641077893550507
Energy: 2.105438234792584
Energy: 2.154203093258703
Energy: 2.1407360053835394
Energy: 2.0961737131618317
Energy: 2.1678567425434694
Energy: 2.1842129415551965
Energy: 2.1489435907009953
Energy: 2.109943053258019
Energy: 2.18219137797984
Energy: 2.185959734356664
Energy: 2.1017290377088287
Energy: 2.1670911630956913
Energy: 2.2921650703533656
Energy: 2.202081992556031
Energy: 2.218814181866119
Energy: 2.2625244941721108
Energy: 2.1441197334043145
Energy: 2.128065831246715
Energy: 2.2335519537400836
Energy: 2.1262303543499774
Energy: 2.00971697957382
Energy: 2.034212019350444
Energy: 2.4975566974880534
Energy: 2.0125979841963106
Energy: 2.193641616324033
Energy: 2.2382687633735303
Energy: 2.1391393713821394
Energy: 2.060012006760606
Energy: 1.9895537439014108
Energy: 2.407445137863367
Energy: 2.2713513253595834
Energy: 2.018584160975873
Energy: 2.330345683292488
Energy: 2.2984897711765155
Energy: 2.258856577006644
Energy: 2.214662083223343
Energy: 2.3083114787889727
Energy: 2.2438302959882037
Energy: 2.1745711134703543
Energy: 2.3996808127470444
Energy: 2.185343636570117
Energy: 2.1782500778880363
Energy: 2.13572446583456
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Energy: 2.1710585676413587
Energy: 2.1362771774500064
Energy: 2.1680808074496842
Energy: 2.1916801786572115
Energy: 2.166045549093243
Energy: 2.146896231076251
Energy: 2.164864594416444
Energy: 2.1536573136444663
Energy: 2.0924924547100967
Energy: 2.2534843546352485
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Energy: 2.1714085390936617
Energy: 2.1427224369534827
Energy: 2.1918589108434685
Energy: 2.071070717027868
Energy: 2.194941568859475
Energy: 2.1323161152518333
Energy: 2.0488168583404844
Energy: 2.034071632232705
Energy: 2.098308697889881
Energy: 2.0744667207818743
Energy: 2.0379147372765147
Energy: 2.0812231584308774
Energy: 2.0841249916273195
Energy: 2.0387071281154636
Energy: 2.0661571099338882
Energy: 2.0708888710989255
Energy: 2.0658584208724053
Energy: 2.02247315556521
Energy: 2.0549491239368747
Energy: 2.088482427325938
Energy: 2.1773807184007317
Energy: 2.1821393147923605
Energy: 2.2128789712445562
Energy: 2.1415481633770703
Energy: 2.1340330488619204
Energy: 2.1835369683278874
Energy: 2.168877069298603
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Energy: 2.090977419046543
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Energy: 2.179604238395272
Energy: 2.1673696695800944
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Energy: 2.218572748371362
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Energy: 2.071505079370251
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Energy: 2.1094668511561743
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Energy: 2.082422944212794
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Energy: 2.0394943482288395
Energy: 2.02882876936021
Energy: 2.0306907228516864
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Energy: 2.0323241573647466
Energy: 2.0704890368798354
Energy: 2.1058902528268204
Energy: 2.0053125676305483
Energy: 2.0441105118513674
Energy: 2.077284734097727
Energy: 2.04514198203059
Energy: 2.0215577618435674
Energy: 2.06546997844793
Energy: 2.0652779245482473
Energy: 1.9888049396939997
Energy: 2.040969092452625
Energy: 2.0602985476002025
Energy: 2.030160104648771
Energy: 2.0441337277585507
Energy: 2.0901544941194405
Energy: 2.0682208588204114
Energy: 1.9972685895181448
Energy: 2.0487617436460983
Energy: 2.075979582037652
Energy: 2.0023511326217114
Energy: 2.1131029763144977
Energy: 2.2520535625967146
Energy: 2.2247445312021266
Energy: 2.0250291868105146
Energy: 2.0153965074206805
Energy: 1.9926030892998658
Energy: 2.062105319367167
Energy: 2.6940007379654003
Energy: 2.2186783540073125
Energy: 2.0906094026182718
Energy: 2.1122828103920273
Energy: 2.0738712428155264
Energy: 1.9884294809594816
Energy: 2.0727073360042403
Energy: 2.1119780660319103
Energy: 2.0524369036930974
Energy: 2.131959523625435
Energy: 2.069852959208414
Energy: 2.050731504310302
Energy: 2.022907669919143
Energy: 2.089242604706017
Energy: 2.0581219314857195
Energy: 2.1046659650462725
Energy: 2.052083805730236
Energy: 2.0242834788720994
Energy: 2.0362915006135127
Energy: 2.066488849350452
Energy: 1.99668976288081
Energy: 1.987584141814006
Energy: 2.04912926079298
Energy: 2.4492214414843376
Energy: 2.2333099398179757
Energy: 2.8426456318326516
Energy: 2.0601411023409746
Energy: 3.00837909387986
Energy: 2.1455254924868967
Energy: 2.105656984447626
Energy: 2.043482616612143
Energy: 2.3002072182199598
Energy: 2.052924098337563
Energy: 2.0346819236673968
Energy: 2.3229657847002487
Energy: 2.052933638895354
Energy: 2.0589431240773957
Energy: 2.016437358448835
Energy: 2.059239807165043
Energy: 2.036202888326885
Energy: 2.0083103964011566
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Energy: 2.0603956100610037
Energy: 2.0440404114617396
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Energy: 2.0612258147208613
Energy: 2.0429128011364335
Energy: 1.985535027223029
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Energy: 2.082785691781878
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Energy: 2.037257435026485
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Energy: 2.082305891162121
Energy: 2.119529365333606
Energy: 2.016205311709411
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Energy: 2.0561965399579547
Energy: 2.0417170954807893
Energy: 2.0518354138101413
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Energy: 2.234155268141635
Energy: 2.2114936603677324
Energy: 2.215929463621745
Energy: 2.1151203393815727
Energy: 2.064345850033675
Energy: 2.2129535523139494
Energy: 2.131474953524545
Energy: 2.103500008888946
Energy: 2.047223552923308
Energy: 1.9911238365279236
Energy: 2.061874464918436
Energy: 2.0337039624316215
Energy: 1.9901794388167533
Energy: 2.0762009685227216
Energy: 2.0974336999624947
Energy: 2.2650145713744405
Energy: 2.078662819629221
Energy: 2.172299737174323
Energy: 2.1677613419451767
Energy: 1.963936266551506
Energy: 2.154783925436821
Energy: 2.1772587440084927
Energy: 2.174187366051317
Energy: 2.1433838873511144
Energy: 2.1770213098225915
Energy: 2.1197338322097616
Energy: 2.131756670481586
Energy: 2.1889000576387594
Energy: 2.0539328378441177
Energy: 2.0724592286290173
Energy: 2.0959018209226974
Energy: 2.078504633208501
Energy: 2.021112223565329
Energy: 2.070511396205178
Energy: 2.089814507226845
Energy: 2.0527039799565845
Energy: 2.0614349147858038
Energy: 2.0930311603015124
Energy: 2.0564120913906807
Energy: 2.032085312192976
Energy: 2.050972898840758
Energy: 2.0956928586086536
Energy: 2.263449688147659
Energy: 2.209779357348844
Energy: 2.2859044487869844
Energy: 2.1975484160361276
Energy: 2.19879056122558
Energy: 2.1906251060866846
Energy: 2.158287575572837
Energy: 2.133500455373782
Energy: 2.193223562935721
Energy: 2.1651552672534384
Energy: 2.10135555047222
Energy: 2.4373654691995914
Energy: 2.175286339135237
Energy: 2.1242549197948333
Energy: 2.120163464895552
Energy: 2.2048072893696964
Energy: 2.1627971415333027
Energy: 2.112727903040723
Energy: 2.266574645221018
Energy: 2.1630384976757124
Energy: 2.144266469128677
Energy: 2.236307422636001
Energy: 2.2795084120383136
Energy: 2.242094304368752
Energy: 2.2174856189123195
Energy: 2.3480193736164785
Energy: 2.2683181334511824
Energy: 2.317595997814493
Energy: 2.068451565828414
Energy: 2.3864828360373935
Energy: 2.266848918784016
Energy: 2.09580377655456
Energy: 1.9779664722408714
Energy: 2.197740193142553
Energy: 2.1523609764839917

minimum gb energy = 1.9638225600824528 eV
minimum distance =  2.39292394613121 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 3.23872821563059
Energy: 3.241639812309939
Energy: 3.454832902691354
Energy: 3.140685154949612
Energy: 3.146172995027562
Energy: 2.596777029003563
Energy: 2.8003817446834396
Energy: 2.1345973223576453
Energy: 2.12065887591795
Energy: 2.074664015885613
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Energy: 2.051867690449976
Energy: 2.0588258872635317
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Energy: 2.2506466755907644
Energy: 2.288802589470725
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Energy: 2.18368426859697
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Energy: 2.311831504404477
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Energy: 2.211762554485217
Energy: 2.236644394923201
Energy: 2.298690669887559
Energy: 2.091483848483698
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Energy: 2.3049188021805493
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Energy: 2.371664575560112
Energy: 2.3518400823652015
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Energy: 2.306438310364436
Energy: 2.3146208379168507
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Energy: 2.2935748205765396
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Energy: 2.20765642606611
Energy: 2.3218959824583125
Energy: 2.340720960392302
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Energy: 2.273448890223905
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Energy: 2.1107704975079877
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Energy: 2.332203968889474
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Energy: 1.99817797366661
Energy: 2.0901049355549572
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Energy: 1.9972719020102647
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Energy: 2.1320130524028844
Energy: 2.11627573705576
Energy: 2.0016794803073905
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Energy: 2.0075251654819732
Energy: 2.112473823034162
Energy: 2.1253972400537693
Energy: 2.1020337154875035
Energy: 2.250178778580276
Energy: 2.369650375897722
Energy: 2.092443489248935
Energy: 2.135540935603137
Energy: 2.2838172926899754
Energy: 2.2410365288969136
Energy: 2.1666278688049494
Energy: 2.205217013508925
Energy: 2.324338314262964
Energy: 2.2686006815356565
Energy: 2.1791333222351796
Energy: 2.3335614328819454
Energy: 2.2001271768508976
Energy: 2.3015918670530433
Energy: 2.325337114443531
Energy: 2.344851376472296
Energy: 2.2016804110140735
Energy: 2.2052564404087254
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Energy: 2.2322299581639458
Energy: 2.205360715207832
Energy: 2.1979795590503004
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Energy: 2.2988402089734152
Energy: 2.3170130732960295
Energy: 2.1352935928567023
Energy: 2.1651882535596427
Energy: 2.4386697402249444
Energy: 2.2448841151210814
Energy: 2.183310398114533
Energy: 2.35659270579713
Energy: 2.3811879423889426
Energy: 2.1824247428098684
Energy: 2.3278262157133485
Energy: 2.3578868145167906
Energy: 2.4388395249281984
Energy: 2.236100435277671
Energy: 2.326783216806055
Energy: 2.3496353854731575
Energy: 2.221116960733044
Energy: 2.310707895069621
Energy: 2.1204691680021446
Energy: 2.2455386254778027
Energy: 2.1415911718848313
Energy: 2.1345564810079605
Energy: 2.145005317620078
Energy: 2.157393954822386
Energy: 2.207668636519459
Energy: 3.768194156335729
Energy: 2.189248433909542
Energy: 2.7839306924881875
Energy: 2.7324496524059136
Energy: 2.166426322985686
Energy: 2.7364397594940324
Energy: 3.881058141293708
Energy: 2.151309636029881
Energy: 2.2584860215496168
Energy: 2.134982548544146
Energy: 2.162223371956136
Energy: 2.191329919787847
Energy: 2.13049221384634
Energy: 2.1597609229943346
Energy: 2.493349755955443
Energy: 2.349055209719096
Energy: 2.227548025519004
Energy: 2.4028373312455744
Energy: 2.4436260642156995
Energy: 2.2362831132347285
Energy: 2.348620880220699
Energy: 2.4547477558605673
Energy: 2.315844415398751
Energy: 2.3254947042717413
Energy: 2.427939731460322
Energy: 2.451849639869041
Energy: 2.316892730314495
Energy: 2.3719475039101643
Energy: 2.3032469441780736
Energy: 2.3440900444113395
Energy: 2.249874087180634
Energy: 2.3466271795928177
Energy: 2.3513741775195
Energy: 2.2560965761449085
Energy: 2.3913628656466526
Energy: 2.1439079894704385
Energy: 2.1550305903928177
Energy: 2.1296389442831116
Energy: 2.140596973049383
Energy: 2.116402871523926
Energy: 2.106472337026411
Energy: 2.149368597835254
Energy: 2.106379189171214
Energy: 2.1080071912494507
Energy: 2.140459976599652
Energy: 2.114066725638065
Energy: 2.08127855274784
Energy: 2.1013865284571507
Energy: 2.1450794139328027
Energy: 2.1210097139704156
Energy: 2.150657285769706
Energy: 2.2078140806042734
Energy: 2.120410609020219
Energy: 2.136349053035741
Energy: 2.154150252305244
Energy: 2.148293960672475
Energy: 2.224496735631476
Energy: 2.2022215477298293
Energy: 2.3121807390491713
Energy: 2.1142066302042766
Energy: 2.1276532941843738
Energy: 2.1402819433189033
Energy: 2.264697055567491
Energy: 2.253465650285905
Energy: 2.053126255405813
Energy: 2.1733717757595388
Energy: 2.108332145483352
Energy: 2.140564303221791
Energy: 2.3670578582088275
Energy: 2.3518774783358025
Energy: 2.2279690826069065
Energy: 2.2195610263946355
Energy: 2.209185084010966
Energy: 2.072563272089272
Energy: 2.098249326706004
Energy: 2.1926816072341597
Energy: 2.072572744634841
Energy: 2.129943569347055
Energy: 2.054071164133121
Energy: 2.082003224523496
Energy: 2.0026782844000444
Energy: 2.0312080779546697
Energy: 2.0627995066475804
Energy: 2.1388749560223794

minimum gb energy = 1.9972719020102647 eV
minimum distance =  2.37936520914936 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.7052262474969098
Energy: 3.2108235187184855
Energy: 3.23451793637971
Energy: 2.6613958503839896
Energy: 2.6809560241272874
Energy: 3.39119486225718
Energy: 2.8096945710131567
Energy: 2.1678057590772215
Energy: 2.1717361946904172
Energy: 2.159864916899653
Energy: 2.1620950402755224
Energy: 2.281799563299166
Energy: 2.092742884896258
Energy: 2.1162276475066837
Energy: 2.1350409150786076
Energy: 2.176261718911277
Energy: 2.0721032245007867
Energy: 2.0707783333409346
Energy: 2.2281629406094337
Energy: 2.0476597532383267
Energy: 2.278733278509275
Energy: 2.171786633493317
Energy: 2.2749995350205903
Energy: 2.0771398810285695
Energy: 2.1391281531641115
Energy: 2.250100356073137
Energy: 2.142921978821865
Energy: 2.3854965998066824
Energy: 2.124010477552029
Energy: 2.2281245632180435
Energy: 2.1344043907506856
Energy: 2.1211072104698436
Energy: 2.078921072432813
Energy: 2.2155706436218554
Energy: 2.2529714648426324
Energy: 2.4522170629848894
Energy: 2.4434396882311256
Energy: 2.4410846654307496
Energy: 2.4302089096328894
Energy: 2.3992984715167136
Energy: 2.44130100033851
Energy: 2.449786509889349
Energy: 2.4297809663310503
Energy: 2.4324814623216886
Energy: 2.451638250776621
Energy: 2.3961488013871266
Energy: 2.370514223674856
Energy: 2.421910240599518
Energy: 2.405319543628192
Energy: 2.148759221609349
Energy: 2.1436261169962343
Energy: 2.186490376969888
Energy: 2.137499176875733
Energy: 2.1018136882343788
Energy: 2.1335527785648605
Energy: 2.193210438282514
Energy: 2.3054758527988515
Energy: 2.1665065164501915
Energy: 2.165803242885892
Energy: 2.2525412653879795
Energy: 2.2402188399232488
Energy: 2.1705245147475307
Energy: 2.169459669081012
Energy: 2.2847210687598714
Energy: 2.368434581131049
Energy: 2.2450470912334954
Energy: 2.326687347040955
Energy: 2.272472028514954
Energy: 2.339298354388243
Energy: 2.2955482148744317
Energy: 2.206958746232513
Energy: 2.103939756322921
Energy: 2.2239316624812284
Energy: 2.132327859187858
Energy: 2.064470252814115
Energy: 2.136884998982782
Energy: 2.114848935467908
Energy: 2.482762209375441
Energy: 2.4539247898607153
Energy: 2.3918449308418355
Energy: 2.4953275361645706
Energy: 2.432771549299515
Energy: 2.385419219338067
Energy: 2.5205653663117973
Energy: 2.9115507766201056
Energy: 2.593719702956357
Energy: 2.5628013342353464
Energy: 2.9201544088453377
Energy: 2.9436026159477318
Energy: 2.5496759480944426
Energy: 2.958868388467935
Energy: 2.276729151300996
Energy: 2.1563884034985854
Energy: 2.2093532744014355
Energy: 2.2082646336837137
Energy: 2.136262589767544
Energy: 2.1481879040674134
Energy: 2.166941568346312
Energy: 2.207746603859092
Energy: 2.2285647694378756
Energy: 2.1678657404213184
Energy: 2.186120026193217
Energy: 2.251525254984804
Energy: 2.1643937198592313
Energy: 2.213320212485841
Energy: 2.1457229702884444
Energy: 2.3387246381484568
Energy: 2.2091084480211123
Energy: 2.2391686524609535
Energy: 2.1290234078754624
Energy: 2.336650636786531
Energy: 2.25811596997981
Energy: 2.2416051310959633
Energy: 2.297188039591156
Energy: 2.2174076883316056
Energy: 2.206288566447972
Energy: 2.1617330992507076
Energy: 2.245661395056442
Energy: 2.186800879614085
Energy: 2.486880348755186
Energy: 2.521543847355833
Energy: 2.4321197114725273
Energy: 2.4412179132948046
Energy: 2.5041680321733883
Energy: 2.4470016832646078
Energy: 2.427007427751
Energy: 2.4109708619864705
Energy: 2.524395921417478
Energy: 2.3928566021296462
Energy: 2.3853555701428397
Energy: 2.48232180670107
Energy: 2.378388951609071
Energy: 2.3742729215767198
Energy: 2.096244788347193
Energy: 2.108228745378372
Energy: 2.112485487512062
Energy: 2.090669949841127
Energy: 2.1269756630222902
Energy: 2.091000155960878
Energy: 2.1162225361835763
Energy: 2.276687232379712
Energy: 2.1955769127378044
Energy: 2.007969110675483
Energy: 2.4358534464372257
Energy: 2.155882690350601
Energy: 2.18070671451382
Energy: 2.1561069864172637
Energy: 2.301210042720365
Energy: 2.019655036311385
Energy: 2.2308250734848216
Energy: 2.1555180160101592
Energy: 2.119827746983372
Energy: 1.9947898436354645
Energy: 2.0599964145651235
Energy: 2.0611173501337205
Energy: 1.992850740031358
Energy: 2.015827819356475
Energy: 1.9901372071869126
Energy: 1.9566735338758232
Energy: 2.002672444419067
Energy: 2.0377168649986808
Energy: 2.447185889963765
Energy: 2.47238303374816
Energy: 2.399057725071329
Energy: 2.5118872594866914
Energy: 2.524044188739971
Energy: 2.3981922911447193
Energy: 2.382072309236196
Energy: 2.4520275355421193
Energy: 2.433821288293252
Energy: 2.4108991569935103
Energy: 2.5328755129242517
Energy: 2.521467095165352
Energy: 2.4188990247510436
Energy: 2.4023152185065455
Energy: 2.004067110033481
Energy: 2.0075390540016396
Energy: 2.031786224836664
Energy: 1.9885898383152338
Energy: 1.9614023071732458
Energy: 2.015857750972436
Energy: 1.989285872740468
Energy: 2.072267682599862
Energy: 1.992085039950496
Energy: 2.1745079521295976
Energy: 2.288907928880935
Energy: 1.9968680251042075
Energy: 2.171048883349608
Energy: 1.9968415208426835
Energy: 2.1470061790235904
Energy: 2.153966664491923
Energy: 2.1696702933053578
Energy: 2.302286405276655
Energy: 2.3954720881881886
Energy: 2.1081823253788836
Energy: 2.2991168389746903
Energy: 2.062022417563148
Energy: 2.085566203545036
Energy: 2.2665238416379685
Energy: 2.2522633837744186
Energy: 2.1993906350026426
Energy: 2.1867359787649243
Energy: 2.2221325419215567
Energy: 2.4741961277524815
Energy: 2.4579004622325717
Energy: 2.5172668804905673
Energy: 2.4939393303204995
Energy: 2.444667269585318
Energy: 2.5185753973300096
Energy: 2.516934020732559
Energy: 2.4088654243223275
Energy: 2.3045614659964624
Energy: 2.4563253290196676
Energy: 2.4304324350862654
Energy: 2.365363320971295
Energy: 2.3942926079175524
Energy: 2.4188124772351114
Energy: 2.2909967492709713
Energy: 2.2277848941888383
Energy: 2.2484895303945667
Energy: 2.1242127004316513
Energy: 2.162871694877874
Energy: 2.137717667113016
Energy: 2.197805782321119
Energy: 2.30416012384858
Energy: 2.3998359530320146
Energy: 2.316712682710692
Energy: 2.265743651767991
Energy: 2.296687012335493
Energy: 2.21957228935131
Energy: 2.5965455150261985
Energy: 2.3080732283694485
Energy: 2.157845508000405
Energy: 2.123149338271703
Energy: 2.107311449749106
Energy: 2.1043909955227877
Energy: 2.2966560886285734
Energy: 2.081263821353322
Energy: 2.2006371144472032
Energy: 2.1344597636778597
Energy: 2.0526760845681915
Energy: 2.1013582896880916
Energy: 2.0903298891449125
Energy: 2.0483433607468884
Energy: 2.1541300680585778
Energy: 2.571792237230836
Energy: 2.4887863281166727
Energy: 2.4680223119633786
Energy: 2.4149903940962916
Energy: 2.5383334657013643
Energy: 2.4123178125532148
Energy: 2.5002607465338382

minimum gb energy = 1.9566735338758232 eV
minimum distance =  2.31197110978268 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 2.749341055403269
Energy: 2.471285183737423
Energy: 2.2794221863148274
Energy: 2.7858971151652105
Energy: 2.7891492439242502
Energy: 3.812024704534831
Energy: 2.838588206137596
Energy: 2.112000465669587
Energy: 2.0457380915038064
Energy: 2.082432388710328
Energy: 2.137181974685937
Energy: 2.0507905047346524
Energy: 2.086819551853965
Energy: 2.2062636190260876
Energy: 2.212451122102246
Energy: 2.142448143019951
Energy: 2.046252431867476
Energy: 2.1693149707085038
Energy: 2.0479869300447504
Energy: 2.0558105581586337
Energy: 2.1380222053598765
Energy: 2.52812775197562
Energy: 2.0764090128653674
Energy: 2.3395068747197074
Energy: 2.414477716346367
Energy: 2.1600568978253514
Energy: 1.9167919833775409
Energy: 2.3682913254755777
Energy: 2.2106949902754742
Energy: 2.0451265582844984
Energy: 2.0868275252100417
Energy: 2.1567551517244827
Energy: 2.1657388701757645
Energy: 2.061470669042852
Energy: 2.1328791265801184
Energy: 2.0665953459936195
Energy: 2.0092913957340994
Energy: 2.0016006069993777
Energy: 2.111595967830687
Energy: 2.057669824991126
Energy: 2.010825081432149
Energy: 2.0952928247182148
Energy: 2.050292157087459
Energy: 1.994088114398961
Energy: 2.0249823184010554
Energy: 2.0638255977797297
Energy: 1.9943476932725797
Energy: 2.01898666045544
Energy: 2.0775654078861203
Energy: 2.0463345789291645
Energy: 2.0200218278980824
Energy: 2.092702315990005
Energy: 2.079107094783403
Energy: 1.991500573751448
Energy: 2.033567483064444
Energy: 2.118603245582607
Energy: 2.318727026704662
Energy: 2.118079158636705
Energy: 2.4311006203890484
Energy: 2.1590718103399915
Energy: 2.2745547239497403
Energy: 2.1716042748286912
Energy: 2.2268091000848926
Energy: 2.3001341472229555
Energy: 2.1118900010120014
Energy: 2.2986967629392527
Energy: 2.346610990805944
Energy: 2.3300673429839938
Energy: 2.272059714254631
Energy: 2.4535882620774383
Energy: 2.1104415631915954
Energy: 2.0347141526217998
Energy: 2.057552575628997
Energy: 2.147052829135331
Energy: 2.076461547147964
Energy: 2.0422166236301473
Energy: 2.2366986538533076
Energy: 2.2140171731932843
Energy: 2.0412649906098372
Energy: 2.079475295699668
Energy: 2.2214656795481296
Energy: 2.0860604381375256
Energy: 2.088123533154607
Energy: 2.158865019841535
Energy: 2.440220598698448
Energy: 2.058548597448676
Energy: 2.654890426198683
Energy: 2.7706741698343436
Energy: 2.0708272789872555
Energy: 1.919316373571191
Energy: 2.430116480508226
Energy: 2.170895603985063
Energy: 2.0820570545512185
Energy: 2.0689224049920307
Energy: 2.1717720278903694
Energy: 2.0350247795837926
Energy: 2.061213933209693
Energy: 2.1314674630083252
Energy: 2.191405815119072
Energy: 2.092409586391477
Energy: 2.1350055307205595
Energy: 2.154035987822869
Energy: 2.070808721554136
Energy: 2.0819743679476246
Energy: 2.1834644385413475
Energy: 2.7421487081261167
Energy: 2.365609226072469
Energy: 4.417219275006443
Energy: 2.773601959355503
Energy: 2.7806692278780156
Energy: 2.466295897995094
Energy: 2.826206274584728
Energy: 2.1393663216812957
Energy: 2.107981935231901
Energy: 2.1166033700784466
Energy: 2.1869604356745143
Energy: 2.022014394928617
Energy: 2.119707821357706
Energy: 2.2045486951307116
Energy: 2.182412911110091
Energy: 2.1382333726532905
Energy: 2.054581384666824
Energy: 2.1620603989498686
Energy: 2.0588856807502403
Energy: 2.0266039961424767
Energy: 2.165103172666181
Energy: 2.435306383197591
Energy: 2.0927359220316193
Energy: 2.321416003223523
Energy: 2.4026440790261647
Energy: 2.121060259672983
Energy: 1.9191349764488976
Energy: 2.352990441510961
Energy: 2.223128745817241
Energy: 2.0961128309379866
Energy: 2.074047153398873
Energy: 2.2138152440054513
Energy: 2.1017032844495795
Energy: 2.038878796000549
Energy: 2.1337484709476477
Energy: 2.0964457257076794
Energy: 2.0326277661863363
Energy: 1.997782123314222
Energy: 2.1068681599153143
Energy: 2.0271290446632144
Energy: 2.0089250351074064
Energy: 2.07409887070318
Energy: 2.04614729256716
Energy: 1.9962856685284514
Energy: 2.024788872607741
Energy: 2.0663353167802456
Energy: 1.9958431455697918
Energy: 2.0122832806596973
Energy: 2.0682791988024833
Energy: 2.0482954103621815
Energy: 2.0788449906034003
Energy: 2.0629328177903705
Energy: 2.0807960846251206
Energy: 2.0144069082827905
Energy: 2.058354833209744
Energy: 2.1309387091160317
Energy: 2.2900423588016428
Energy: 2.4074588225769635
Energy: 2.1836598144490473
Energy: 2.1684048034090866
Energy: 2.2756783109519283
Energy: 2.077031426762277
Energy: 2.2028213049638943
Energy: 2.2853141927240195
Energy: 2.3024903130831076
Energy: 2.2825943350092195
Energy: 2.1999303123061082
Energy: 2.2983576921364386
Energy: 2.2789983934500544
Energy: 2.201629212461416
Energy: 2.097274663208706
Energy: 2.0700680002003184
Energy: 2.070280036532712
Energy: 2.15712743537098
Energy: 2.044404297618825
Energy: 2.0370515953813473
Energy: 2.177924762147535
Energy: 2.246025707258387
Energy: 2.0614036021234545
Energy: 2.1059930920407437
Energy: 2.214826510095618
Energy: 2.172573892805836
Energy: 2.076024305754708
Energy: 2.2625886389176944
Energy: 2.2452346560403185
Energy: 2.0693051779921428
Energy: 2.2740684620292093
Energy: 2.6914790066183802
Energy: 2.0724259439562407
Energy: 1.9221086285233415
Energy: 2.442329872948867
Energy: 2.1872023417665143
Energy: 2.074350859572962
Energy: 2.041443060797593
Energy: 2.1730889559476654
Energy: 2.0299569992630664
Energy: 2.0238544600289456
Energy: 2.1468914299159025
Energy: 2.2545971985825033
Energy: 2.0469963358528473
Energy: 2.1106242112748794
Energy: 2.1466609781485793
Energy: 2.0300609005676407
Energy: 2.417332650147773
Energy: 2.1856238655071354

minimum gb energy = 1.9167919833775409 eV
minimum distance =  2.43123287699875 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 3.1591035416572226
Energy: 2.641937330480056
Energy: 2.0777730124410807
Energy: 3.150242561285407
Energy: 2.893939568393357
Energy: 2.219935854377525
Energy: 2.6690621007418174
Energy: 2.4257191797195645
Energy: 2.160568161283599
Energy: 2.0687254176312653
Energy: 2.428652723935637
Energy: 2.3202523540677182
Energy: 2.077335931939444
Energy: 2.3590030291062862
Energy: 2.4122491252955314
Energy: 2.18955207490434
Energy: 2.10948830851832
Energy: 2.3252416045088413
Energy: 2.424572988209594
Energy: 2.1614838558598404
Energy: 2.2294421065937637
Energy: 2.708028808073934
Energy: 2.3691326490575917
Energy: 2.088613120419927
Energy: 2.3305322970845292
Energy: 2.338990107241998
Energy: 2.33112983599063
Energy: 2.345169244865564
Energy: 2.3494209121635334
Energy: 2.1477129729855804
Energy: 2.1210856469267
Energy: 2.3510105367323026
Energy: 2.181267444592345
Energy: 2.110811509114981
Energy: 2.319603333297099
Energy: 2.1967926641604936
Energy: 2.1563774118912886
Energy: 2.090860054196658
Energy: 2.1522661985024643
Energy: 2.1485310611257344
Energy: 2.129813235787495
Energy: 2.1348243528721165
Energy: 2.1743462527347055
Energy: 2.1924133183826995
Energy: 2.0018147058437075
Energy: 2.1636760312955574
Energy: 2.1286267907090686
Energy: 2.1181898554700953
Energy: 2.0752203043530653
Energy: 2.177166409307417
Energy: 2.233447873974843
Energy: 2.0848241636980047
Energy: 2.1729297980256663
Energy: 2.124377471165833
Energy: 2.2036865181833143
Energy: 2.0608872393484123
Energy: 2.0029609002639246
Energy: 2.084173440345329
Energy: 2.097986199419778
Energy: 1.9951839312544337
Energy: 1.9962992550254197
Energy: 2.0958333362601707
Energy: 2.061439308969147
Energy: 1.9853067457860254
Energy: 2.0033735158790806
Energy: 2.063425992066293
Energy: 1.9618426919614924
Energy: 1.9691008611737513
Energy: 2.050587423731343
Energy: 1.9828498193212754
Energy: 2.02962887462248
Energy: 2.1115928277768004
Energy: 2.1147701904537106
Energy: 2.064175954308593
Energy: 2.0345371221264483
Energy: 2.133320640039483
Energy: 2.1239887821988606
Energy: 2.059278402458287
Energy: 2.0768649183857613
Energy: 2.0886101754841793
Energy: 2.0531777896275236
Energy: 2.04243914592802
Energy: 2.0872850144008965
Energy: 2.079844011438111
Energy: 2.0795768274625015
Energy: 2.052219564761303
Energy: 2.0640786338078088
Energy: 2.0622022102228574
Energy: 2.073575576997359
Energy: 2.104581125303497
Energy: 2.0992676067557796
Energy: 2.0855005035171867
Energy: 2.0924995477360655
Energy: 2.0072218243290716
Energy: 2.0464074232658898
Energy: 2.057890358775876
Energy: 1.9946895413055599
Energy: 2.053149574227245
Energy: 2.314711801786419
Energy: 2.1298006875211684
Energy: 2.1020700761919047
Energy: 2.1826495000875608
Energy: 2.1260474702548358
Energy: 2.0773296678608695
Energy: 2.152506545769138
Energy: 2.5303783735799965
Energy: 2.322473837377767
Energy: 2.384843179353313
Energy: 2.369093254682956
Energy: 2.4485175734438718
Energy: 2.402742003493642
Energy: 2.5252754425651536
Energy: 2.272486649830213
Energy: 2.2066295925045143
Energy: 2.0911934079459624
Energy: 2.242026453751386
Energy: 2.251568142770655
Energy: 2.117254596285557
Energy: 2.22278795425531
Energy: 2.370414677320053
Energy: 2.1851463997254847
Energy: 2.1012788697172797
Energy: 2.3366500508905106
Energy: 2.3280692066248925
Energy: 2.0812950899863654
Energy: 2.3094534132410733
Energy: 2.7495246532215893
Energy: 2.316032816559907
Energy: 2.0481749086589423
Energy: 2.772940508683364
Energy: 2.4234661520425442
Energy: 2.3020164251430457
Energy: 2.402513607482691
Energy: 2.4014189458065394
Energy: 2.4704138355383165
Energy: 2.2755752088787458
Energy: 2.36537990976082
Energy: 2.3654676000924675
Energy: 2.05920210750509
Energy: 2.3473057496636276
Energy: 2.332804171870524
Energy: 2.281081221231829
Energy: 2.316515820248061
Energy: 2.3658791928852674
Energy: 2.292989676415802
Energy: 2.1170208844709797
Energy: 2.356184980341347
Energy: 2.448903100301596
Energy: 2.4096218798177977
Energy: 2.3785769295526027
Energy: 2.621263779542259
Energy: 2.4603924702458015
Energy: 2.4206100296115385
Energy: 2.767863838975588
Energy: 2.4448075012871993
Energy: 2.4161417855427247
Energy: 2.43412148534345
Energy: 2.500221386864265
Energy: 2.473904822919894
Energy: 2.345299966513025
Energy: 2.397175971713659
Energy: 2.39083607981471
Energy: 2.2758540596157752
Energy: 2.2964880225911037
Energy: 2.353478633883537
Energy: 2.2750592229315885
Energy: 2.1011284721969847
Energy: 2.358000004997947
Energy: 2.480406455059285
Energy: 2.412430400313238
Energy: 2.1844359988631052
Energy: 2.3789940507188168
Energy: 2.373508719841039
Energy: 2.1646085502121872
Energy: 2.5007486590023875

minimum gb energy = 1.9618426919614924 eV
minimum distance =  2.3714533619686 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 3.1037429852407663
Energy: 3.1883846329776846
Energy: 2.420136495519296
Energy: 2.3453587710050625
Energy: 2.922879323284529
Energy: 2.520415095867971
Energy: 3.0918275519984513
Energy: 2.1924879974180915
Energy: 2.13519061514672
Energy: 2.0972213352974873
Energy: 2.2413115713305385
Energy: 2.1225749472428364
Energy: 2.071447633276049
Energy: 2.229722857329384
Energy: 2.1933519704186564
Energy: 2.035946121820945
Energy: 2.1104944384422395
Energy: 2.1304017593003644
Energy: 2.045992753529606
Energy: 2.1211836444154217
Energy: 2.1149959302172827
Energy: 2.22719926094841
Energy: 2.2457042677687933
Energy: 2.236497134163065
Energy: 2.409169541766105
Energy: 2.070112141163079
Energy: 2.1547241416423226
Energy: 2.372886050095786
Energy: 1.9819076618694598
Energy: 2.1120471304795907
Energy: 2.2112797839879144
Energy: 2.174652385067952
Energy: 2.141082356195452
Energy: 2.0731720598061036
Energy: 2.1799058865873047
Energy: 1.960784490297968
Energy: 2.037605574946595
Energy: 2.0315710357586108
Energy: 2.0113004734781104
Energy: 1.9490365092325816
Energy: 2.035190868412049
Energy: 2.065405623102085
Energy: 2.1225527466165666
Energy: 2.218018930823172
Energy: 2.0278020736025786
Energy: 2.029312951019148
Energy: 2.0789676722922814
Energy: 2.142315453239555
Energy: 2.0438038434063364
Energy: 2.0837494190827446
Energy: 2.3197056533393443
Energy: 2.078126738251734
Energy: 2.027497168342648
Energy: 2.1029948326561736
Energy: 2.19626710061095
Energy: 2.0206594190891503
Energy: 1.9909971216408933
Energy: 1.9692685645083667
Energy: 2.005799146461636
Energy: 1.9389238066898433
Energy: 1.9150720234528835
Energy: 1.9996570481214884
Energy: 1.9714978874009925
Energy: 1.9014987179836058
Energy: 1.9909717389349548
Energy: 1.9650657409602095
Energy: 1.9872151222853562
Energy: 1.9572068248998142
Energy: 1.9652121751444593
Energy: 1.953135750282405
Energy: 2.0314516657212405
Energy: 2.0845103379060714
Energy: 2.057559743187793
Energy: 1.9931903314460426
Energy: 2.011529842012399
Energy: 2.096506830562917
Energy: 2.0597155192821472
Energy: 1.942027120832213
Energy: 1.917321099072084
Energy: 1.8884465867094373
Energy: 1.8882418047424556
Energy: 1.8929525083415646
Energy: 1.8765462984891463
Energy: 1.8992406246895879
Energy: 1.9037613522453072
Energy: 1.912197243982807
Energy: 1.8185275799795353
Energy: 1.8469107163706269
Energy: 1.9042622237944486
Energy: 1.820522895993592
Energy: 1.8607544772313396
Energy: 2.3479528512252372
Energy: 2.182838230356275
Energy: 2.1446098199022536
Energy: 2.027604778821298
Energy: 2.2959371166840907
Energy: 2.1297983253601447
Energy: 2.195275333178091
Energy: 1.9715418450394928
Energy: 1.8879238595826575
Energy: 1.8677668134817875
Energy: 1.8732447586156962
Energy: 1.8695211393828093
Energy: 1.8344083423074304
Energy: 1.8670107618717746
Energy: 1.825066800915962
Energy: 1.8473578381206484
Energy: 1.8605091637987605
Energy: 1.8516506931316323
Energy: 1.799759470878748
Energy: 1.847956517872787
Energy: 1.9019805651782682
Energy: 1.8880232662907743
Energy: 1.8974227569512563
Energy: 1.8471647095803083
Energy: 1.862201150374817
Energy: 1.8441954406940397
Energy: 1.8498358853587622
Energy: 1.875067356442223
Energy: 1.8525625834288584
Energy: 1.8370707304453309
Energy: 1.8631425306374385
Energy: 1.8715698916977788
Energy: 1.8026232883326052
Energy: 1.9087929227847056
Energy: 1.870680435711623
Energy: 1.9281421581530596
Energy: 1.8861264443417125
Energy: 1.9260605121719945
Energy: 1.8822514728557536
Energy: 1.8811281185594095
Energy: 1.8802294307572052
Energy: 1.8857793152536655
Energy: 1.8317422895065034
Energy: 1.7924014919511893
Energy: 1.8309176347974498
Energy: 1.7943224927046457
Energy: 1.7647124228081914
Energy: 1.8474132051052292
Energy: 1.8105808530979157
Energy: 1.8809216443523378
Energy: 1.8480735803593025
Energy: 1.8466630065272087
Energy: 1.8327660249275808
Energy: 1.8317406115932853
Energy: 1.8515793709354902
Energy: 1.8474433982151612
Energy: 1.894642215646923
Energy: 1.8787228955431368
Energy: 1.845113511050395
Energy: 1.8494324809795082
Energy: 1.8535923251750464
Energy: 1.8372658796208976
Energy: 1.8452335100538824
Energy: 1.8551979443264053
Energy: 1.818470902374377
Energy: 1.7942817244042593
Energy: 1.79982319981003
Energy: 1.8073761678134446
Energy: 1.7729917493634568
Energy: 1.7926051550658568
Energy: 1.949244724698502
Energy: 1.9187796603615879
Energy: 1.885618087994784
Energy: 1.8428915809602537
Energy: 1.872311334873933
Energy: 1.963841916624862
Energy: 1.8548353260368464
Energy: 1.937004667780916
Energy: 1.8935660855817908
Energy: 1.812250071031006
Energy: 1.8568789026397077
Energy: 1.8693289726775488
Energy: 1.823637070521271
Energy: 1.850720458250861
Energy: 1.8519098428664647
Energy: 1.8847575914063368
Energy: 1.8427683547641036
Energy: 1.8530371181895238
Energy: 1.8393556038612136
Energy: 1.8562109070546986
Energy: 1.8992074884798282
Energy: 1.9052405365318936
Energy: 1.9436150264078915
Energy: 1.8148208695341317
Energy: 1.9094094280167655
Energy: 1.8790499807011807
Energy: 1.8739983257592807
Energy: 1.8746475094797785
Energy: 1.8584465786945905
Energy: 1.8911503954875213
Energy: 1.8922502584164629
Energy: 1.8535112402236569
Energy: 1.831921767825101
Energy: 1.8866844375195837
Energy: 1.8715220896325393
Energy: 2.0153898458812423
Energy: 1.9567608151700913
Energy: 1.9596868323789682
Energy: 1.979522094728675
Energy: 1.9178529850758426
Energy: 1.9974886285719713
Energy: 1.9496718362055478
Energy: 1.8485045797929913
Energy: 1.845046943006389
Energy: 1.8919160741760053
Energy: 1.8518455968795275
Energy: 1.80521786764585
Energy: 1.8861179235874932
Energy: 1.8774237758288583
Energy: 1.9234164447394164
Energy: 1.9152181932253511
Energy: 1.919553267086084
Energy: 1.8922142243507485
Energy: 1.8889430639380234
Energy: 1.9087285937965077
Energy: 1.9274517958166764
Energy: 2.1130850347383894
Energy: 2.1022065612057137
Energy: 2.0207033313001337
Energy: 2.0676364626428336
Energy: 2.0493481208368114
Energy: 2.0452998587867053
Energy: 2.039383621113546
Energy: 1.9716973705367231
Energy: 1.9656978457145793
Energy: 1.9265340815296108
Energy: 1.9408174269078304
Energy: 1.946159636905965
Energy: 1.956330274682173
Energy: 1.9625589165371524
Energy: 2.051546020783476
Energy: 2.039536853606613
Energy: 1.9302706475987608
Energy: 1.9550450581416574
Energy: 1.988140682219321
Energy: 1.943631632151993
Energy: 1.9416812191016495
Energy: 2.0604591831502885
Energy: 2.1883093476580195
Energy: 2.040144058745018
Energy: 2.008571702717868
Energy: 2.0303629050055116
Energy: 2.0688989975318943
Energy: 2.080523689722642
Energy: 1.9943605288585518
Energy: 2.1242409282588692
Energy: 2.0757245889641887
Energy: 1.9540186204836596
Energy: 2.154253242048603
Energy: 2.0571336922332346
Energy: 2.099685218353275
Energy: 2.053038507536589
Energy: 2.0353703522241546
Energy: 1.9562145683894538
Energy: 2.026119386256718
Energy: 2.015047646305036
Energy: 1.9611049600843216
Energy: 1.958034602274017
Energy: 2.2135351458827324
Energy: 2.120507992576535
Energy: 1.9952985895848898
Energy: 2.2278750983801627
Energy: 2.126761125298449
Energy: 2.0883584914452644
Energy: 2.1493499993317484
Energy: 2.270345381070565
Energy: 2.2878622286431396
Energy: 2.3912052908670858
Energy: 2.2558474078990383
Energy: 2.124555574513381
Energy: 2.273539271856731
Energy: 2.2177773317331444
Energy: 2.1138322180163143
Energy: 2.1240703919715846
Energy: 2.0274436739214825
Energy: 2.130431113973091
Energy: 2.0959558320032348
Energy: 2.049375513980607
Energy: 2.172134582384791
Energy: 2.117857327686233
Energy: 2.1699482432212953
Energy: 2.2232116639372377
Energy: 2.196538395598754
Energy: 2.0934447069058035
Energy: 2.1030190893273906
Energy: 2.30609256058972
Energy: 2.2710796902484507
Energy: 2.2541014112837487
Energy: 2.332942015429065
Energy: 2.0347525462489884
Energy: 2.227379425327473
Energy: 2.3772752241201247
Energy: 2.584912340554028
Energy: 2.24137987283446
Energy: 2.122782897494654
Energy: 2.1655444421144003
Energy: 2.1578324670248796
Energy: 2.0833300530441763
Energy: 2.1494969189263724
Energy: 2.1794545846978206
Energy: 2.1651944558962817
Energy: 2.136895566796131
Energy: 2.1874355866349395
Energy: 2.1788007663425657
Energy: 2.1348706511293813
Energy: 2.066586176442052
Energy: 2.228664619349702
Energy: 2.4318180838996124
Energy: 2.0972780126322093
Energy: 2.127853029484213
Energy: 2.2329808816497705
Energy: 2.2884361563931273
Energy: 2.1159137937106682
Energy: 2.085765790732119

minimum gb energy = 1.7647124228081914 eV
minimum distance =  2.43507907225006 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 2.098931065099649
Energy: 2.083894145562503
Energy: 2.9628912553167437
Energy: 2.9546537289361887
Energy: 2.9391728210790253
Energy: 2.9590655237513417
Energy: 2.9648077639439254
Energy: 1.1294263135637175
Energy: 0.8338141636248481
Energy: 0.8352342929848039
Energy: 0.7990147097670266
Energy: 0.7983852182429255
Energy: 0.8094376465911644
Energy: 0.834126447258411
Energy: 0.9031371043990744
Energy: 0.8316420420437748
Energy: 0.835951499654792
Energy: 0.8201137134653878
Energy: 0.8205037637618292
Energy: 0.8288882520611628
Energy: 0.8197905972692516
Energy: 2.0956087830007557
Energy: 1.9732964318440842
Energy: 2.9504433658337574
Energy: 2.970694979098978
Energy: 2.960833950663005
Energy: 2.9740192106239425
Energy: 2.983669865765776
Energy: 1.9941774120722355
Energy: 2.081824363214856
Energy: 2.1773709522580966
Energy: 2.034104757758333
Energy: 2.9777808877626266
Energy: 1.948615477932784
Energy: 1.9961214485650143
Energy: 0.895592223764499
Energy: 0.8313478480301006
Energy: 0.8341412626768316
Energy: 0.8692653406359596
Energy: 0.8353770476863043
Energy: 0.7986537681911494
Energy: 0.826735008295865
Energy: 2.0052620821505354
Energy: 1.9529210277702942
Energy: 2.9632528860241756
Energy: 2.9705859929758045
Energy: 2.9889117338772397
Energy: 2.974312798024533
Energy: 1.9663742898054606
Energy: 2.0188143094797404
Energy: 1.9745899925784929
Energy: 2.9640087720776305
Energy: 2.9934246624951095
Energy: 2.9856883160506267
Energy: 2.9581963387003523
Energy: 1.95555833124789
Energy: 0.9185584976387021
Energy: 0.8924904978688604
Energy: 0.867994785816801
Energy: 0.8664730417665659
Energy: 0.8356764191064026
Energy: 0.8721943627281287
Energy: 0.8268388936019226
Energy: 2.1178740930865274
Energy: 1.9747152373883936
Energy: 2.0518736138653075
Energy: 2.036554083745274
Energy: 1.9602432261944924
Energy: 1.9565905714172873
Energy: 2.016846286511336
Energy: 1.9983881908837762
Energy: 1.9647649678636867
Energy: 2.96185169991461
Energy: 2.9483885505765266
Energy: 2.9493143475537686
Energy: 2.9653257494107055
Energy: 2.9775133031092493
Energy: 0.9013612090055786
Energy: 0.8387924968165936
Energy: 0.798617181461986
Energy: 0.7985756656490836
Energy: 0.7987119837339034
Energy: 0.8360371175300135
Energy: 0.8180551993972967
Energy: 0.8980574630103928
Energy: 0.8425780758903278
Energy: 0.8215608401531098
Energy: 0.7985634637732523
Energy: 0.79881356750479
Energy: 0.799051375267525
Energy: 0.8245910544567625
Energy: 2.193975271544142
Energy: 2.006697858249074
Energy: 2.9623572520649004
Energy: 2.9449364545118852
Energy: 2.9391660286576267
Energy: 2.9575311485823343
Energy: 3.016956630036639
Energy: 2.1376155489338498
Energy: 1.9584213286686591
Energy: 2.030383749927817
Energy: 0.8167235946051944
Energy: 0.7979832473357445
Energy: 0.7989975507859315
Energy: 1.9643876795371067
Energy: 0.9051864906856293
Energy: 0.8490841825784958
Energy: 0.8378529567532826
Energy: 0.7984279820751982
Energy: 0.8270932214603864
Energy: 0.8453751077882025
Energy: 0.8272410367660167
Energy: 1.9972517159335244
Energy: 1.995433613527837
Energy: 2.99740659541556
Energy: 2.9813406768162083
Energy: 2.974194998726304
Energy: 2.9495958510945686
Energy: 2.970239946941576
Energy: 2.081712714845112
Energy: 1.9546757254322906
Energy: 1.9607623330688384
Energy: 2.987176147169998
Energy: 3.0411992560643673
Energy: 2.1013646080809014
Energy: 1.9519613906805924
Energy: 0.9112934145976348
Energy: 0.9298968381068955
Energy: 0.7984036542692577
Energy: 0.8386985863908661
Energy: 0.8536453156385805
Energy: 0.7987348192743366
Energy: 0.8673902784305241
Energy: 2.0296466966666653
Energy: 2.01158842895908
Energy: 1.9968331584116106
Energy: 2.9481643198016037
Energy: 2.982605467930805
Energy: 2.97333702569826
Energy: 1.99982813087548

minimum gb energy = 0.7979832473357445 eV
minimum distance =  2.47902221470344 Angstroms
sigma value = 23