Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Mo__MO_230319944007_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=3.150138273835182
cohesive_energy=6.810539053672873
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=[3.95157640656492e-21, 3.1640905691875795e-20, 1.079846223019758e-19, 2.31107570747964e-19, 3.6951640580595598e-19, 4.957022353231619e-19, 6.00795409453758e-19, 6.86569537731582e-19, 7.572912165329759e-19, 8.166053977002899e-19, 8.669954550162239e-19, 9.100138976391239e-19, 9.466476663755339e-19, 9.77603321121048e-19, 1.003486484643318e-18, 1.024870736177316e-18, 1.042318439721576e-18, 1.056364722271854e-18, 1.067509462937958e-18, 1.0762108842372118e-18, 1.082824669382364e-18, 1.08746136856116e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.086998339513934e-18, 1.08133304293611e-18, 1.072676482582608e-18, 1.06066496435751e-18, 1.044862696216368e-18, 1.0247121206905498e-18, 9.99551538830214e-19, 9.68573453611824e-19, 9.307813111690319e-19, 8.84931822433854e-19, 8.29448445598434e-19, 7.623428794599779e-19, 6.810772762302299e-19, 5.82426454344948e-19, 4.62274422031386e-19, 3.1532278116090597e-19, 1.345946933630916e-19, -8.949934916953739e-20, -3.7113139985302795e-19, -7.327426661468279e-19, -1.2104556622234379e-18]
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: 0.021181443446129194
Energy: 2.5631561769961837
Energy: 2.963257231792143
Energy: 0.021732497441996578
Energy: 0.021787922028762573
Energy: 2.561962455556279
Energy: 0.02184872099267556
Energy: 0.2546317864796932
Energy: 0.35326450666075654
Energy: 0.7296656240304812
Energy: 0.2545978563002041
Energy: 0.7302094820587058
Energy: 0.35280811258494293
Energy: 0.2543485313199831
Energy: 0.2542903413445109
Energy: 0.35289426755416986
Energy: 0.3528229240950267
Energy: 0.25449250710521365
Energy: 0.7300076600045997
Energy: 0.3528826011250588
Energy: 0.25497845605886355
Energy: 0.25421212443066143
Energy: 0.35300896952402233
Energy: 0.3530393106211457
Energy: 0.25434223015146146
Energy: 0.7300694283254037
Energy: 0.35292380892955866
Energy: 0.2544816520470965
Energy: 0.2546556604188549
Energy: 0.35571578659312236
Energy: 0.35306904411056667
Energy: 0.2551904004104404
Energy: 0.7299002649752839
Energy: 0.35284761663400627
Energy: 0.25475781755182936
Energy: 0.022342919893717905
Energy: 0.35316628729882005
Energy: 0.7300016676999562
Energy: 0.021888770768593947
Energy: 0.021972433093900855
Energy: 0.3527556209361771
Energy: 0.25466089919875856

minimum gb energy = 0.021181443446129194 eV
minimum distance =  2.69167741584008 Angstroms
sigma value = 5


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

Energy: 3.7614680030361276
Energy: 2.343308885853508
Energy: 2.475558115625745
Energy: 2.0680977785694425
Energy: 2.2015315123680232
Energy: 2.4240886701842697
Energy: 2.1574213437837404
Energy: 2.307808414986491
Energy: 2.266884738437795
Energy: 2.3102466544851072
Energy: 2.1789669116979256
Energy: 2.2505134657897568
Energy: 2.3007787842776763
Energy: 2.2802575129206226
Energy: 2.1200269261212714
Energy: 2.197160833575917
Energy: 2.2055050842861137
Energy: 2.153618996349005
Energy: 2.156937267647517
Energy: 2.197310636327164
Energy: 2.154469407881978
Energy: 2.2037340107958663
Energy: 2.222956223708291
Energy: 2.2056015685946666
Energy: 2.193550191082009
Energy: 2.2239842713955564
Energy: 2.195498226691227
Energy: 2.1731508693764066
Energy: 2.1747991457256424
Energy: 2.1480680265403698
Energy: 2.1760395985561836
Energy: 2.1499523745094358
Energy: 2.1839899899437656
Energy: 2.1744200379875744
Energy: 2.1551197204946355
Energy: 2.1554001230867152
Energy: 2.1726963339291947
Energy: 2.1719428447571283
Energy: 2.178139572307429
Energy: 2.185288273622428
Energy: 2.1475314253596482
Energy: 2.171518614563654
Energy: 2.175155228562166
Energy: 2.1634093886886876
Energy: 2.1606596540805105
Energy: 2.1954443708022113
Energy: 2.2020189452019756
Energy: 2.140092746528873
Energy: 2.1680476863714637
Energy: 2.1884432774957414
Energy: 2.1534508955477407
Energy: 2.1561438994614104
Energy: 2.1825120312311133
Energy: 2.1556354822520847
Energy: 2.1421059432649194
Energy: 2.19591714086065
Energy: 2.306235080187874
Energy: 2.2462760117322222
Energy: 2.129605330105097
Energy: 2.352423449338955
Energy: 2.244761723092058
Energy: 2.1764557959072706
Energy: 2.2508078082690446
Energy: 2.343885221233272
Energy: 2.155515162685425
Energy: 2.2122531664541025
Energy: 2.377022354860955
Energy: 2.3143997256868487
Energy: 2.066522262217989
Energy: 2.2460899479761287
Energy: 2.27656810411128
Energy: 2.234647457495437
Energy: 2.1417008615339705
Energy: 2.2962425188520363
Energy: 2.236801296786769
Energy: 2.197909918159533
Energy: 2.28493163499327
Energy: 2.2900355064237203
Energy: 2.154365732947869
Energy: 2.150805954318887
Energy: 2.335800114273005
Energy: 2.204530928495261
Energy: 2.1407001289648067
Energy: 2.1872108240349
Energy: 2.168188547777704
Energy: 2.1597912074047056
Energy: 2.1757420661471003
Energy: 2.1796163484597204
Energy: 2.1830025820207877
Energy: 2.15339480232147
Energy: 2.226391614086563
Energy: 2.081903071467867
Energy: 2.077982481830198
Energy: 2.2531365049147682
Energy: 2.1167600737893832
Energy: 2.0725882834470823
Energy: 2.092525540348952
Energy: 2.1412308155073436
Energy: 2.1527081288470584
Energy: 2.095340460221816
Energy: 2.1151153772274336
Energy: 2.1351716242774716
Energy: 2.0767837123194606
Energy: 2.113218019966089
Energy: 2.162500939893921
Energy: 2.0589221456898015
Energy: 2.092811741697439
Energy: 2.1322837652514104
Energy: 2.1283297026994616
Energy: 2.0728260908849734
Energy: 2.139266893303949
Energy: 2.1753079579337986
Energy: 2.0549540789644123
Energy: 2.087624286853908
Energy: 2.21109514409765
Energy: 2.115127699893967
Energy: 2.070990361080771
Energy: 2.190450573166301
Energy: 2.1196812347275826
Energy: 2.2396246893240352
Energy: 2.3334878964359413
Energy: 2.1954087935668847
Energy: 2.149941370217547
Energy: 2.2540377931386266
Energy: 2.3741585630881343
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Energy: 2.2510562673691044
Energy: 2.352681480373116
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Energy: 2.274546375986841
Energy: 2.3295713239068463
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Energy: 2.164379004650849
Energy: 2.269319983496625
Energy: 2.4005151767535318
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Energy: 2.2698062235033563
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Energy: 2.1645876751181103
Energy: 2.072366585829001
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Energy: 2.2739671114782745
Energy: 2.104751151848292
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Energy: 2.4438609693540654
Energy: 2.2056214631356514
Energy: 2.068186731429784
Energy: 2.090963862793584
Energy: 2.260456561140718
Energy: 2.0995847211639997
Energy: 2.161531020270227
Energy: 2.106327778437124
Energy: 2.221909304018097
Energy: 2.0386052456369343
Energy: 2.113071919172891
Energy: 2.1289189745029695
Energy: 2.0261408161863774
Energy: 2.1100664455369516
Energy: 2.115257418625342
Energy: 2.0304233478642697
Energy: 2.0381803127608404
Energy: 2.1293984687489944
Energy: 2.1291532359627197
Energy: 2.0806923117484675
Energy: 2.1213845349508618
Energy: 2.1245944059735478
Energy: 2.0411908530662775
Energy: 2.055199607903153
Energy: 2.1096679658913025
Energy: 2.1154497709205
Energy: 2.0459167684452733
Energy: 2.094564029948167
Energy: 2.116907006884829
Energy: 2.051884124006765
Energy: 2.207051478141494
Energy: 2.2888450825508384
Energy: 2.2874882952892266
Energy: 2.224573166846161
Energy: 2.1741663883216824
Energy: 2.148252297892462
Energy: 2.2325585091522675
Energy: 2.259979656028655
Energy: 2.1540214387661476
Energy: 2.195730981241708
Energy: 2.217142485158783
Energy: 2.245850176171865
Energy: 2.179592703556141
Energy: 2.296935218381207
Energy: 2.239299896182341
Energy: 2.180763617007662
Energy: 2.173598355852381
Energy: 2.287405325299097
Energy: 2.2994452192478803
Energy: 2.150398428929585
Energy: 2.2377911653511466
Energy: 2.331058745613291
Energy: 2.3794807377774485
Energy: 2.264305586551426
Energy: 2.160932296357992
Energy: 2.3255303244802756
Energy: 2.2881164532023934
Energy: 2.169110589351918
Energy: 2.1934449979890562
Energy: 2.259380316124557
Energy: 2.227264520759231
Energy: 2.184760205195118
Energy: 2.0845276430312443
Energy: 2.305601370026075
Energy: 2.33124976514003
Energy: 2.3676635662015104
Energy: 2.2834489769046455
Energy: 2.2753022385579187
Energy: 2.2773247597721467
Energy: 2.284247551554385
Energy: 2.2899835951339433
Energy: 2.2988781941173095
Energy: 2.069728079518144
Energy: 2.068114187546986
Energy: 2.050397546634988
Energy: 2.116396856140285
Energy: 2.0935815271625704
Energy: 2.0462792866045834
Energy: 2.1191340141898123
Energy: 2.14402355386526
Energy: 2.0734570452876193
Energy: 2.064698728790259
Energy: 2.1345220023489233
Energy: 2.1213846787390565
Energy: 2.049443427059506
Energy: 2.0977966131957957
Energy: 2.1500414294192263
Energy: 2.1087844281471666
Energy: 2.023720322619522
Energy: 2.112515900820582
Energy: 2.1107506097883277
Energy: 2.02655328987527
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Energy: 2.0750017266736536
Energy: 2.082623778782472
Energy: 2.2207588644920575
Energy: 2.209326878233742
Energy: 2.075484515735594
Energy: 2.1245636498073686
Energy: 2.335467459717826
Energy: 2.0745014043183074
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Energy: 2.261536377753029
Energy: 2.288253872952603
Energy: 2.074895763565788
Energy: 2.2008729761250994
Energy: 2.301256992786752
Energy: 2.259746200292988
Energy: 2.2786605310359205
Energy: 2.1851397793227463
Energy: 2.339610600019446
Energy: 2.2730924614202546
Energy: 2.1694579519048713
Energy: 2.3434191940403513
Energy: 2.325400417023197
Energy: 2.2434623163759833
Energy: 2.109886291344057
Energy: 2.2823623479365533
Energy: 2.282856027751943
Energy: 2.1374989717755795
Energy: 2.2579933785158803
Energy: 2.325667593622032
Energy: 2.1825552149697938
Energy: 2.1500078220157657
Energy: 2.3604768353884835
Energy: 2.373305400561048
Energy: 1.9955912412028334
Energy: 2.22753626216803
Energy: 2.0855894896744585
Energy: 2.0626131799515295
Energy: 2.114876753004767
Energy: 2.161679853184059
Energy: 2.0742697913402814
Energy: 2.115264406630027
Energy: 2.162076966278217
Energy: 2.0483386058591835
Energy: 2.075955501615736
Energy: 2.128789531558862
Energy: 2.1300396852647987
Energy: 2.0805768915512934
Energy: 2.1222328474186
Energy: 2.1169062843161357
Energy: 2.052793337976773
Energy: 2.1136866922945416
Energy: 2.1560160645437674
Energy: 2.0985020097312246
Energy: 2.0856906802480126
Energy: 2.1617081859885343
Energy: 2.112891463727936
Energy: 2.305471677489681
Energy: 2.242813524350024
Energy: 2.137552456131222
Energy: 2.1419951995620443
Energy: 2.241642148752673
Energy: 2.216678012530739
Energy: 2.2552319089498774
Energy: 2.1415086670024435
Energy: 2.25697889094034
Energy: 2.1802351866497123
Energy: 2.1352968841938327
Energy: 2.2517550282760173
Energy: 2.179722053802107
Energy: 2.1276167170890887
Energy: 2.1415750755175362
Energy: 2.1951489371824
Energy: 2.218706801129688
Energy: 2.1486531900608896
Energy: 2.305503671928573
Energy: 2.3532830177195003
Energy: 2.1733702408304763
Energy: 2.1993380162230305
Energy: 2.308189224608677
Energy: 2.3302166846585464
Energy: 2.1419208508722383
Energy: 2.23691478211231
Energy: 2.327138860824416
Energy: 2.1453115772184423
Energy: 2.2207221788528027
Energy: 2.317290592835986
Energy: 2.378854597519692
Energy: 2.1261848590404147
Energy: 2.2101904683098588
Energy: 2.357114476779157
Energy: 2.289807602911272

minimum gb energy = 1.9955912412028334 eV
minimum distance =  2.46279574828089 Angstroms
sigma value = 401


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

Energy: 3.276649820717893
Energy: 2.2829953810542443
Energy: 2.397658139547184
Energy: 2.139816480081643
Energy: 2.14580619748883
Energy: 2.4246856911954326
Energy: 2.259231683264446
Energy: 2.270942897907711
Energy: 2.1380587451788426
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Energy: 2.0878233073831054
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Energy: 2.1320608999909663
Energy: 2.148253043135584
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Energy: 2.308270578190045
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Energy: 2.3617111938991813
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Energy: 2.5037358864730526
Energy: 2.212067504148216
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Energy: 2.3904837387913656
Energy: 2.436961773094596
Energy: 2.3395007444850684
Energy: 2.3424030052066236
Energy: 2.395424059440734
Energy: 2.323185689379867
Energy: 2.3696878891363946
Energy: 2.430657403354838
Energy: 2.3912655075590012
Energy: 2.3105864867089365
Energy: 2.37290845665604
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Energy: 2.2871717624649315
Energy: 2.3409141955544355
Energy: 2.4541725107102312
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Energy: 2.329647491960298
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Energy: 2.3535022233775496
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Energy: 2.1994296878623025
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Energy: 2.2577274067623874
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Energy: 2.234771365999527
Energy: 2.2242019108428446
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Energy: 2.3276187368557215
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Energy: 2.12800855629059
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Energy: 2.1574133485569145
Energy: 2.601612571629619
Energy: 2.3190105236606415
Energy: 2.170573002831317
Energy: 2.458911059048566
Energy: 2.1348617137122154
Energy: 2.0602592019043957
Energy: 2.088197447494178
Energy: 2.404441617102549
Energy: 2.1774480618969916
Energy: 2.151621666013009
Energy: 2.549149587401005
Energy: 2.109268943233214
Energy: 2.0312607093202693
Energy: 2.0904817937855307
Energy: 2.1894694503653187
Energy: 2.1772438255718045
Energy: 2.1514825553586214
Energy: 2.5715257561615332
Energy: 2.087722381079573
Energy: 2.134102539235383
Energy: 2.1345939380744063
Energy: 2.528105004951364
Energy: 2.3097561615607725
Energy: 2.1808623386644994
Energy: 2.383136314289024
Energy: 2.166486922403577
Energy: 2.141816323617868
Energy: 2.209542955156111
Energy: 2.5180341299322873
Energy: 2.3503828805308737
Energy: 2.3358721450050144
Energy: 2.4813717357688754
Energy: 2.219662070564682
Energy: 2.1931869725489332
Energy: 2.268606886457035
Energy: 2.478289432786915
Energy: 2.377935832712408
Energy: 2.32925715346343
Energy: 2.4464339922572367
Energy: 2.212085052589813
Energy: 2.4212382441484115
Energy: 2.3885737242890923
Energy: 2.3300503258151313
Energy: 2.3724561977248078
Energy: 2.4284594277083413
Energy: 2.305689250400201
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Energy: 2.445258672592287
Energy: 2.3566220179971045
Energy: 2.3076448735047843
Energy: 2.3751031746886397
Energy: 2.428302749704521
Energy: 2.326882851980122
Energy: 2.353988165729169
Energy: 2.4211459613635253
Energy: 2.3493490400896384
Energy: 2.32469246017688
Energy: 2.37417157146817
Energy: 2.4489506094654336
Energy: 2.347682063470613
Energy: 2.364385461704472
Energy: 2.2882980061472766
Energy: 2.2368112347373064
Energy: 2.2490262156040095
Energy: 2.340362388312415
Energy: 2.2388426345437393
Energy: 2.2602141624952856
Energy: 2.302446349529758
Energy: 2.5329597028066244
Energy: 2.478709872579242
Energy: 2.2724945252276285
Energy: 2.4657984959936505
Energy: 2.2714227119773294
Energy: 2.2609162033749812
Energy: 2.48304302455277
Energy: 2.379614034789465
Energy: 2.298106583005773
Energy: 2.2866200898718168
Energy: 2.5630298916046805
Energy: 2.327273813742116
Energy: 2.362723230126583
Energy: 2.2807602243610976
Energy: 2.6077879198038474
Energy: 2.461251150059421
Energy: 2.315132292176557
Energy: 2.355954351908871
Energy: 2.591004617657124
Energy: 2.470274362894284
Energy: 2.381010559505444
Energy: 2.636735294631827
Energy: 2.348592956211516
Energy: 2.4539247739396184
Energy: 2.378666350047818
Energy: 2.563748499346823
Energy: 2.4596170791679293
Energy: 2.408455913248641
Energy: 2.5552943941945205
Energy: 2.5371981355637407
Energy: 2.3617997532006285
Energy: 2.3835330146110745
Energy: 2.5815371109507805
Energy: 2.3171272356281496
Energy: 2.4179112599536183
Energy: 2.2635135658598493
Energy: 2.263269589561417
Energy: 2.2912229958591697
Energy: 2.3011246180225
Energy: 2.24744334980758
Energy: 2.2915180604153145
Energy: 2.2488426716244416
Energy: 2.248036336378761
Energy: 2.2327692439902567
Energy: 2.2835721398354702
Energy: 2.2710437646548063
Energy: 2.2515716954400746
Energy: 2.2465122371983646
Energy: 2.271538407051883
Energy: 2.224590155518996
Energy: 2.258177359727315
Energy: 2.324013054604289
Energy: 2.2540637922974796
Energy: 2.2106060344230363
Energy: 2.265180030967663
Energy: 2.2558098948380665
Energy: 2.340946592223522
Energy: 2.3442003932118762
Energy: 2.3805231733593386
Energy: 2.1509926718506094
Energy: 2.199523780616116
Energy: 2.3608411689140243
Energy: 2.3246338484446434
Energy: 2.306692250576857
Energy: 2.1205408762543905
Energy: 2.2830631645790858
Energy: 2.124597435949056
Energy: 2.164589806189848
Energy: 2.772120283838659
Energy: 2.42507768557576
Energy: 2.3107360298813573
Energy: 2.2223297730639344
Energy: 2.5940485670202955
Energy: 2.1260302409417458
Energy: 2.133248355730691
Energy: 2.3639379596661074
Energy: 2.3008384375660804
Energy: 2.1603981238925085
Energy: 2.08781924339404
Energy: 2.2751195015665098
Energy: 2.044848995379505
Energy: 2.0435801986118585
Energy: 2.531313012673523
Energy: 2.1335166725227137

minimum gb energy = 2.0312607093202693 eV
minimum distance =  2.44615409345389 Angstroms
sigma value = 311


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

Energy: 2.775723146020676
Energy: 2.5831628110893163
Energy: 2.3033079743509237
Energy: 2.5897438102075214
Energy: 2.448571251857159
Energy: 2.5511052138521424
Energy: 2.464921522199892
Energy: 2.275835946297916
Energy: 2.3734841858075844
Energy: 2.3170953162984986
Energy: 2.248503922664971
Energy: 2.2789282258935826
Energy: 2.334143059754127
Energy: 2.277800837426505
Energy: 2.229026960550489
Energy: 2.2609561859595355
Energy: 2.2466521378214876
Energy: 2.2314440142525944
Energy: 2.225207933355394
Energy: 2.31150010703314
Energy: 2.238922406468811
Energy: 2.2124707414414884
Energy: 2.2854565086563654
Energy: 2.2427404174778496
Energy: 2.2423760613988093
Energy: 2.332836904197158
Energy: 2.147190689996391
Energy: 2.233717866702042
Energy: 2.2743287367970737
Energy: 2.3043703849328403
Energy: 2.236902318283082
Energy: 2.2247538384715635
Energy: 2.2925283112905004
Energy: 2.2096345454338837
Energy: 2.2328533411944225
Energy: 2.5017358244400962
Energy: 2.47791218544524
Energy: 2.491005183600235
Energy: 2.4940068444666412
Energy: 2.4841178862217785
Energy: 2.5055931906900435
Energy: 2.5089524784301522
Energy: 2.4609090442278214
Energy: 2.4498732965820547
Energy: 2.4779907255680964
Energy: 2.4397246381241384
Energy: 2.417419083141254
Energy: 2.4799731040715804
Energy: 2.4499768340268333
Energy: 2.443303806341773
Energy: 2.2866341320934302
Energy: 2.4118858184601812
Energy: 2.4432171044759357
Energy: 2.375408674978732
Energy: 2.37982651037639
Energy: 2.4032838540127237
Energy: 2.356906226508832
Energy: 2.2914256161617064
Energy: 2.354428917657297
Energy: 2.3802090056384215
Energy: 2.3416815368054973
Energy: 2.3185808109616177
Energy: 2.462293198868909
Energy: 2.358523336691161
Energy: 2.470028803940427
Energy: 2.415839620596616
Energy: 2.433141595099511
Energy: 2.347904571123345
Energy: 2.4209154943055267
Energy: 2.407397518362925
Energy: 2.3879313658188304
Energy: 2.377495660994032
Energy: 2.4928112716949298
Energy: 2.3478912530634592
Energy: 2.2994839008917345
Energy: 2.445486885186599
Energy: 2.3739433168683592
Energy: 2.5267437029167374
Energy: 2.250386750714881
Energy: 2.422581644666265
Energy: 2.64129526885153
Energy: 2.459750204100497
Energy: 2.4374760785749165
Energy: 2.4720396492412573
Energy: 2.6852491740519975
Energy: 2.5745964949471487
Energy: 2.379070322665894
Energy: 2.3894685695382525
Energy: 2.441150803200077
Energy: 2.3852645380008797
Energy: 2.6346715930268085
Energy: 2.3837673144031237
Energy: 2.3325308596269108
Energy: 2.2854589425094822
Energy: 2.3177017517577134
Energy: 2.265894064347219
Energy: 2.2658688406616787
Energy: 2.334697397057971
Energy: 2.4285989064872573
Energy: 2.3760491271442685
Energy: 2.2830623106894774
Energy: 2.31055870298547
Energy: 2.4004271754568416
Energy: 2.4310447894852016
Energy: 2.34344822004447
Energy: 2.296693285649018
Energy: 2.3260517217168495
Energy: 2.288511636753542
Energy: 2.3172164863146443
Energy: 2.3087604406211732
Energy: 2.4406262726273455
Energy: 2.297235221171977
Energy: 2.3727785209405607
Energy: 2.3953224605335195
Energy: 2.338023551120292
Energy: 2.3428609169240824
Energy: 2.4090037266481255
Energy: 2.2875461807219826
Energy: 2.3006713063898157
Energy: 2.4929795359400955
Energy: 2.544135893323972
Energy: 2.479304284976492
Energy: 2.4639064420654115
Energy: 2.58560657468147
Energy: 2.4827746769820975
Energy: 2.4433227679823
Energy: 2.4880888491483892
Energy: 2.5799217161152606
Energy: 2.427624413938904
Energy: 2.432899488483904
Energy: 2.5340248237866336
Energy: 2.4753343189595163
Energy: 2.4438371050115824
Energy: 2.149324506467155
Energy: 2.355783038282303
Energy: 2.4438957399201553
Energy: 2.2219484234134885
Energy: 2.32456700005518
Energy: 2.3908001094395717
Energy: 2.1024794899736614
Energy: 2.201645979869838
Energy: 2.2453297139062616
Energy: 2.312488147005483
Energy: 2.3769019144394266
Energy: 2.1996678892830674
Energy: 2.2262613129118085
Energy: 2.1543700517620707
Energy: 2.2168251755043027
Energy: 2.073262618410063
Energy: 2.1620313472132118
Energy: 2.2271262836459282
Energy: 2.155964698769075
Energy: 2.001787977249535
Energy: 2.0776289469838587
Energy: 2.106988586679233
Energy: 2.1068254199225067
Energy: 2.178095313674388
Energy: 2.4082275641700397
Energy: 2.157077799126726
Energy: 2.1563091022608156
Energy: 2.1436795099495947
Energy: 2.462484442139539
Energy: 2.454321248573812
Energy: 2.444372241368116
Energy: 2.576472016039483
Energy: 2.4485556562426765
Energy: 2.426553203022851
Energy: 2.443211319834438
Energy: 2.4586003831070755
Energy: 2.429080162300125
Energy: 2.4513053933571447
Energy: 2.571962165122914
Energy: 2.4917957736294243
Energy: 2.4502927412015687
Energy: 2.4206363767157764
Energy: 2.049067305624472
Energy: 2.000952967107375
Energy: 1.9862658547019871
Energy: 2.2172618576267737
Energy: 1.9867779229548976
Energy: 1.9864227091693107
Energy: 2.1826265147383075
Energy: 2.016215867023212
Energy: 2.0047136339348173
Energy: 2.015665956561695
Energy: 2.277771575380177
Energy: 2.2042225173849395
Energy: 2.22030693962242
Energy: 2.042297260750922
Energy: 2.0214401137819276
Energy: 2.0697801521992374
Energy: 2.245021099784652
Energy: 2.2177466286709664
Energy: 2.1962040779290795
Energy: 2.0838433225419477
Energy: 2.12659905202474
Energy: 2.107179722527193
Energy: 2.020310356269765
Energy: 2.1884095922056606
Energy: 2.334165804901079
Energy: 2.0714117421652887
Energy: 2.0801447456344073
Energy: 2.28602290555168
Energy: 2.48096135747676
Energy: 2.5034917374342767
Energy: 2.598899936419303
Energy: 2.5393521881822756
Energy: 2.449340683366544
Energy: 2.5107104817267425
Energy: 2.5554631091469884
Energy: 2.4053728448688503
Energy: 2.410504662331821
Energy: 2.5244962498625187
Energy: 2.4792804801968167
Energy: 2.446285824937869
Energy: 2.539832901868936
Energy: 2.4163575869040104
Energy: 2.414669061563585
Energy: 2.259249052540125
Energy: 2.23387885179522
Energy: 2.288736757949495
Energy: 2.270692013635562
Energy: 2.1939006007499273
Energy: 2.3160146998063507
Energy: 2.4433521978278603
Energy: 2.2862013018035006
Energy: 2.396283165431092
Energy: 2.3576760616778065
Energy: 2.3746037305690884
Energy: 2.2393190340567086
Energy: 2.368399383167067
Energy: 2.337204760227898
Energy: 2.3115642398617493
Energy: 2.2669974020166523
Energy: 2.241397512833961
Energy: 2.307157117263021
Energy: 2.270365334905187
Energy: 2.286028849580643
Energy: 2.3036839203118435
Energy: 2.3638386658356803
Energy: 2.5029125449960983
Energy: 2.554855659430045
Energy: 2.464958295342297
Energy: 2.4894663753986266
Energy: 2.4253457903668205
Energy: 2.4781172732028076
Energy: 2.6747593329130983
Energy: 2.585783122971652
Energy: 2.474871728468518
Energy: 2.4755648737444216
Energy: 2.580205656330375
Energy: 2.447942140076806

minimum gb energy = 1.9862658547019871 eV
minimum distance =  2.42329021268806 Angstroms
sigma value = 39


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

Energy: 2.565204972089928
Energy: 2.4852854663827273
Energy: 2.5815988827789584
Energy: 2.5871366229569563
Energy: 2.5558078434789877
Energy: 2.5783173790986056
Energy: 2.5838599598357646
Energy: 2.5838599598357646
Energy: 2.2124085528257997
Energy: 2.2039588330624498
Energy: 2.1953812093504443
Energy: 2.219035986718581
Energy: 2.1631607056350086
Energy: 2.210406949289333
Energy: 2.201946127189983
Energy: 2.1099643488100237
Energy: 2.1781896254608366
Energy: 2.2069867673896413
Energy: 2.243770713182972
Energy: 2.124887696838158
Energy: 2.226813667183324
Energy: 2.2990590747024724
Energy: 2.124982900447197
Energy: 2.261088620922888
Energy: 2.380038592414538
Energy: 2.1942189292675565
Energy: 2.0471929616307443
Energy: 2.2772885324749117
Energy: 2.4363646726381702
Energy: 2.106411825991167
Energy: 2.1305323537475562
Energy: 2.130515672615452
Energy: 2.213202171568775
Energy: 2.124239212378591
Energy: 2.1303181769811004
Energy: 2.181734114564884
Energy: 2.0984356293588706
Energy: 2.1490633110229607
Energy: 2.207970748021717
Energy: 2.179469130434031
Energy: 2.1445452562049234
Energy: 2.1208216938509814
Energy: 2.145156674575168
Energy: 2.1630505438023007
Energy: 2.125041474226474
Energy: 2.1959768662064127
Energy: 2.1783414072584395
Energy: 2.128060341586976
Energy: 2.1707193268989644
Energy: 2.186392112701605
Energy: 2.2008215902565924
Energy: 2.2052799434800723
Energy: 2.2321442742244324
Energy: 2.2028238770516997
Energy: 2.196180037475786
Energy: 2.248343890121706
Energy: 2.1751917213181873
Energy: 2.3436938564068894
Energy: 2.5121561853168726
Energy: 2.174386139168939
Energy: 2.3456343397992496
Energy: 2.5212562675755423
Energy: 2.2746282068933135
Energy: 2.175019657820534
Energy: 2.344121028562816
Energy: 2.483887749214046
Energy: 2.2109302434786553
Energy: 2.3438688749215904
Energy: 2.5127631121608247
Energy: 2.236094988161135
Energy: 2.18642741249216
Energy: 2.1958606637944116
Energy: 2.1931832694798787
Energy: 2.2277684559585267
Energy: 2.17668421193925
Energy: 2.243707766570037
Energy: 2.2171324667107286
Energy: 2.26004927531428
Energy: 2.1915637821416505
Energy: 2.244481076877566
Energy: 2.226429002190094
Energy: 2.2296902374279455
Energy: 2.2400789245691386
Energy: 2.315240237213419
Energy: 2.400276939204853
Energy: 2.2146960180474573
Energy: 2.37641987576198
Energy: 2.2414753384381427
Energy: 2.2144519038795947
Energy: 2.1178483743481653
Energy: 2.400055475599695
Energy: 2.2020813801529457
Energy: 2.2454845498754743
Energy: 2.2455140666456654
Energy: 2.206398966393911
Energy: 2.2459277007366665
Energy: 2.192181838204843
Energy: 2.293848278987728
Energy: 2.1510227795807886
Energy: 2.365617501572093
Energy: 2.549527591269427
Energy: 2.1955973793925008
Energy: 2.1891766679885905
Energy: 2.4869173962276565
Energy: 2.2303413481683876
Energy: 2.5654863005313007
Energy: 2.388993221593263
Energy: 2.1969401764153402
Energy: 2.5527036443070563
Energy: 2.5530296043367318
Energy: 2.5093973346453358
Energy: 2.149403121214317
Energy: 2.202090680545194
Energy: 2.2122479850149768
Energy: 2.2039085649147485
Energy: 2.1953509269832243
Energy: 2.210181501314119
Energy: 2.1632057369436786
Energy: 2.2106047001757148
Energy: 2.2023071166272437
Energy: 2.108642206584819
Energy: 2.1526292206811295
Energy: 2.206465824078331
Energy: 2.2405728023057483
Energy: 2.1243768323962433
Energy: 2.226968383607304
Energy: 2.2989577015865743
Energy: 2.125126278620092
Energy: 2.3502194159151855
Energy: 2.3804495582517804
Energy: 2.1941735876621626
Energy: 2.047459287227769
Energy: 2.274505999379558
Energy: 2.301228577987913
Energy: 2.1062872701200237
Energy: 2.1307666082630625
Energy: 2.130680730467768
Energy: 2.2132994715442704
Energy: 2.1243758174616274
Energy: 2.1299096818468546
Energy: 2.1816726884906514
Energy: 2.096553453462444
Energy: 2.1490181180209333
Energy: 2.1219689447259507
Energy: 2.179686030532757
Energy: 2.144053422817001
Energy: 2.1216038449219226
Energy: 2.144967777811879
Energy: 2.162989909205424
Energy: 2.125246374415081
Energy: 2.1959188623784556
Energy: 2.1777369538386337
Energy: 2.129333127636372
Energy: 2.170900476008834
Energy: 2.1859491374209377
Energy: 2.2007329200655783
Energy: 2.2054171405956366
Energy: 2.2319656685886446
Energy: 2.203836411415161
Energy: 2.1969533225221274
Energy: 2.248614134556238
Energy: 2.1752814718929248
Energy: 2.343921249344399
Energy: 2.5120532086649807
Energy: 2.174443996187843
Energy: 2.346406524259148
Energy: 2.5211582342611507
Energy: 2.2743736211892216
Energy: 2.175204428850753
Energy: 2.344072755701187
Energy: 2.484085807396397
Energy: 2.2112997942828243
Energy: 2.3441554364339163
Energy: 2.5126131097861952
Energy: 2.2361452768739762
Energy: 2.1867935255802586
Energy: 2.1958187724064735
Energy: 2.193638093397245
Energy: 2.227986960624031
Energy: 2.1956858541696573
Energy: 2.2432049908833185
Energy: 2.215675301403057
Energy: 2.261032590613897
Energy: 2.191397526059265
Energy: 2.2443140198577525
Energy: 2.2298331530141304
Energy: 2.2302543141812756
Energy: 2.1961183705225977
Energy: 2.2744929291573355
Energy: 2.20433814088831
Energy: 2.2147847000167156
Energy: 2.339912086023585
Energy: 2.2847600262952725
Energy: 2.214758240356782
Energy: 2.116325177655067
Energy: 2.2406874766626617
Energy: 2.2021847540463857
Energy: 2.2454143078687365
Energy: 2.247804977547507
Energy: 2.2063962516479534
Energy: 2.2456427885331327
Energy: 2.1924879017928816
Energy: 2.293924160977025
Energy: 2.149587062455823
Energy: 2.3655944555796573
Energy: 2.549167363388255
Energy: 2.195816027334401
Energy: 2.188776803858353
Energy: 2.4866340099614517
Energy: 2.2303136261857155

minimum gb energy = 2.0471929616307443 eV
minimum distance =  2.46945743322464 Angstroms
sigma value = 21


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

Energy: 2.871242665090738
Energy: 2.1041195422336445
Energy: 2.00729051442198
Energy: 2.1752419314722626
Energy: 2.321461544160621
Energy: 2.26230771115931
Energy: 2.3260070030766866
Energy: 2.3260070030766866
Energy: 2.138152114073854
Energy: 2.1524916931822866
Energy: 2.16740918609876
Energy: 2.1545918784299767
Energy: 2.156480858611942
Energy: 2.1671829063135926
Energy: 2.185528673972801
Energy: 2.0950844241189794
Energy: 2.055039491568208
Energy: 2.028423170242292
Energy: 2.1927163593679215
Energy: 2.132246998507179
Energy: 2.0468606064117942
Energy: 2.1371724485199417
Energy: 2.0011002193585883
Energy: 2.00565421571558
Energy: 2.14348439755384
Energy: 2.182879437769381
Energy: 2.073048405626467
Energy: 2.1428728883945203
Energy: 2.066769572771165
Energy: 1.9497817553761325
Energy: 2.0557880943623092
Energy: 2.043895284429317
Energy: 2.0606641785950344
Energy: 1.9525352610184417
Energy: 2.053749636444617
Energy: 2.0356643580286065
Energy: 2.036342920846624
Energy: 2.04161699507562
Energy: 1.9633617685630638
Energy: 2.0470192066449546
Energy: 2.000344528035174
Energy: 2.0477464356073627
Energy: 2.0020563466854338
Energy: 2.019117959425382
Energy: 1.9271162461999147
Energy: 2.0248184990931337
Energy: 2.0007498333295093
Energy: 1.9717324643047645
Energy: 1.9602779170051772
Energy: 1.9648963952039091
Energy: 2.023526411199585
Energy: 2.0847195872985904
Energy: 1.96367939297962
Energy: 2.028076506202225
Energy: 2.0507375358275834
Energy: 2.0203009061040595
Energy: 1.9143272941945082
Energy: 1.927875224944905
Energy: 2.0450400924638594
Energy: 1.9841458630630155
Energy: 1.9290191960005019
Energy: 2.0330326703747414
Energy: 1.986591085575521
Energy: 1.8393562352667006
Energy: 1.84241132763804
Energy: 1.9832356453955267
Energy: 1.915524552646762
Energy: 1.8410436865609277
Energy: 1.9871677141931663
Energy: 1.9618863143764345
Energy: 1.9791563337628122
Energy: 1.986267453433636
Energy: 2.001695751595698
Energy: 2.003402336243371
Energy: 1.987696279708617
Energy: 1.995989345893399
Energy: 1.9957854022600656
Energy: 2.004115307844938
Energy: 1.9934799208004688
Energy: 2.0029900845304542
Energy: 1.9916772941459027
Energy: 1.9964274428005626
Energy: 1.9885674902791466
Energy: 1.994123128019049
Energy: 1.9579954069884746
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Energy: 2.0014583281330673
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Energy: 2.0226404281153902
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Energy: 2.062414893794553
Energy: 2.0694667711808146
Energy: 2.0448034375334228
Energy: 2.077377561536352
Energy: 2.0782944732077966
Energy: 2.064573644729003
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Energy: 2.077862259038943
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Energy: 2.0484169859194643
Energy: 2.047827484726023
Energy: 1.9485258192377137
Energy: 2.090432371757438
Energy: 2.1172310253248257
Energy: 2.131754530413202
Energy: 2.2146130041260004
Energy: 2.1431590863188017
Energy: 2.1177387829551257
Energy: 2.0367870478077155
Energy: 2.122156825832064
Energy: 2.1371898826744427
Energy: 2.1158242727061873
Energy: 2.1537963730656537
Energy: 2.154896107066071
Energy: 2.1307739607945964
Energy: 2.120686477999232
Energy: 2.1676808327960138
Energy: 2.139030055729725
Energy: 2.086458660083114
Energy: 2.168477943866117
Energy: 2.1759390934610465
Energy: 2.0466552453222304
Energy: 2.136332573384226
Energy: 2.1751786854513657
Energy: 2.174755380350544
Energy: 2.0903951336187
Energy: 2.1682997424575152
Energy: 2.175905528735666
Energy: 2.15928605665341
Energy: 2.0735391418405813
Energy: 2.175418112871256
Energy: 2.1661858437341155
Energy: 2.1391757116979124
Energy: 2.154486898393345
Energy: 2.1685462896186705
Energy: 2.1542833123571934
Energy: 2.1393424749398835
Energy: 2.1672626320162154
Energy: 2.1749693140328277
Energy: 2.118011296138239
Energy: 2.213198764511883
Energy: 2.1753028891850863
Energy: 2.1696227294752393
Energy: 2.1593953826126873
Energy: 2.1551129777346967

minimum gb energy = 1.8392521773734547 eV
minimum distance =  2.47209704821179 Angstroms
sigma value = 113


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

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Energy: 1.897881018444537
Energy: 1.754477680756789
Energy: 2.0613738956968652
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Energy: 1.896564993758015
Energy: 1.9776486948323795
Energy: 1.97158838326415
Energy: 1.9474616539568703
Energy: 1.814761689539973
Energy: 1.9660390115434383
Energy: 1.8054580948712444
Energy: 2.0453856264284456
Energy: 1.9785545824369504
Energy: 2.0197203644637653
Energy: 1.8161074669239616
Energy: 1.9590093675237954
Energy: 2.013222805000141
Energy: 1.9195702076848822
Energy: 1.9134064797489219
Energy: 1.9054253243993737
Energy: 1.9074868449033522
Energy: 1.9530939591470353
Energy: 1.8131632536774507
Energy: 1.88948795234296
Energy: 1.933184288034227
Energy: 1.9317453306285308
Energy: 1.9242859735229667
Energy: 1.934297046218367
Energy: 1.9608520042806603
Energy: 1.8753590405617704
Energy: 1.9144260146955634
Energy: 1.934929943714329
Energy: 1.8782558132793608
Energy: 1.9058238302268256
Energy: 1.892960466747819
Energy: 1.8936249927350348
Energy: 1.8273119821390646
Energy: 1.750287081294501

minimum gb energy = 1.6389098891633385 eV
minimum distance =  2.47339228864204 Angstroms
sigma value = 365


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

Energy: 2.2193320969375847