Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pd__MO_066802556726_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.878984525799751
cohesive_energy=3.900508361906172
mass=106.42
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=[1.166110617347586e-19, 1.83840155691696e-19, 2.4003169459934395e-19, 2.8896537335497196e-19, 3.3169862853701997e-19, 3.69570879811512e-19, 4.03349569786134e-19, 4.3357302980991e-19, 4.60651417101144e-19, 4.8490676916327e-19, 5.06598638610996e-19, 5.2595453452635e-19, 5.43176331165216e-19, 5.5850275284606e-19, 5.721404803546679e-19, 5.84059072334994e-19, 5.942184743711879e-19, 6.02740451887434e-19, 6.097515768378179e-19, 6.153447754671119e-19, 6.195953500771139e-19, 6.22564183379916e-19, 6.24310555910976e-19, 6.248809307926799e-19, 6.242624906119559e-19, 6.22251758936286e-19, 6.18585978797694e-19, 6.12947919222648e-19, 6.04959466525524e-19, 5.941688068955339e-19, 5.80042415513556e-19, 5.6193942172599e-19, 5.39010671916816e-19, 5.10153868561842e-19, 4.74082463823966e-19, 4.2922792677850196e-19, 3.73597149692754e-19, 3.0464587607193e-19, 2.19107267759304e-19, 1.1278762741538098e-19, -1.9645409233117798e-20, -1.85725917589914e-19, -3.9580171566336e-19, -6.634293006067199e-19, -1.007618498182404e-18, -1.4554845457442279e-18, -2.0471331287944798e-18, -2.8419088698565198e-18, -3.9314210245092e-18, -5.4671553934972195e-18, -7.69946809764942e-18, -1.1073668110619758e-17, -1.6434807476245198e-17, -2.5479254792838598e-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: -2.94648969064528e-25 eV

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

Energy: 0.014781134535939796
Energy: 0.10858422569814684
Energy: 0.11055659076059952
Energy: 0.11022602909906018
Energy: 0.018260788725263696
Energy: 0.01617101593224723
Energy: 0.10858494666931913
Energy: 0.1108104054611608
Energy: 0.10990528647682729
Energy: 0.017557253813036723
Energy: 0.10888636626041416
Energy: 0.10834168943488165
Energy: 0.10873769489733108
Energy: 0.10999878244657786
Energy: 0.11133717705489238
Energy: 0.10910773417781648
Energy: 0.10857611900312744
Energy: 0.10859976600022674
Energy: 0.10962166173658901
Energy: 0.11075359883772971
Energy: 0.11124324916124516
Energy: 0.018385348270184624
Energy: 0.015263592697593828
Energy: 0.1090134962374075
Energy: 0.10943953789249704
Energy: 0.11102997635613067
Energy: 0.0175024011811347
Energy: 0.015244616431595463
Energy: 0.10864949010236336
Energy: 0.11014921295795345
Energy: 0.10956715614588433
Energy: 0.015566842538358603
Energy: 0.01594105324296359
Energy: 0.10830299323439217
Energy: 0.10890445778456298
Energy: 0.11029918880040457
Energy: 0.01582124320170514
Energy: 0.015352912872380001
Energy: 0.10798746776169127
Energy: 0.10854391267127363
Energy: 0.1093050729121741
Energy: 0.10985878335170861
Energy: 0.11164734642682617
Energy: 0.016426356315843046
Energy: 0.015419538630532265
Energy: 0.10881773195898874
Energy: 0.11046181610843896
Energy: 0.11110260359735694
Energy: 0.01747121794379794
Energy: 0.10843440122043255
Energy: 0.10839965190113748
Energy: 0.10877942450503464
Energy: 0.10990310936917132
Energy: 0.015899791205830672
Energy: 0.015428069253214782
Energy: 0.10851829074088161
Energy: 0.10914529569940365
Energy: 0.1105597587507434
Energy: 0.01575859256753518
Energy: 0.01539066626308332
Energy: 0.015485079666068876
Energy: 0.11145508284254448
Energy: 0.10938125690765599
Energy: 0.10970800283380343
Energy: 0.10878800942845544
Energy: 0.020406934909000758
Energy: 0.10883247836516764
Energy: 0.10922248507647443
Energy: 0.11035494387324571
Energy: 0.11144550171834897

minimum gb energy = 0.014781134535939796 eV
minimum distance =  2.70672201492728 Angstroms
sigma value = 3


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

Energy: 0.9723701940240163
Energy: 0.8031224284606701
Energy: 0.8274963557524982
Energy: 0.8006215827980686
Energy: 0.8727353314842365
Energy: 0.9448177551367288
Energy: 0.801572549122847
Energy: 0.8280205216897777
Energy: 0.8165415608577735
Energy: 0.8746658587855668
Energy: 0.8086347621607252
Energy: 0.8108812775586899
Energy: 0.8143981800216454
Energy: 0.7310049998240913
Energy: 0.7935599619912949
Energy: 0.7531457464028419
Energy: 0.7334894450975593
Energy: 0.8037565905751187
Energy: 0.7303105049567635
Energy: 0.8177955159281056
Energy: 0.8134865327006228
Energy: 0.8316124843416518
Energy: 0.8047566614914669
Energy: 0.8066860306242429
Energy: 0.803044524981311
Energy: 0.7538106739885776
Energy: 0.8207022131481712
Energy: 0.7962446091097609
Energy: 0.8020933499310741
Energy: 0.8039987822207542
Energy: 0.8070089676445866
Energy: 0.8296589169754046
Energy: 0.837988733178331
Energy: 0.7519739090265495
Energy: 0.8139520584763609
Energy: 0.7540323189303908
Energy: 0.8260018711326688
Energy: 0.8384050484859467
Energy: 0.7974467627564183
Energy: 0.8032281921173836
Energy: 0.7378624049024441
Energy: 0.8866421579079087
Energy: 0.8972605865535159
Energy: 0.8029405802477363
Energy: 0.794349904294762
Energy: 0.7381436411351819
Energy: 0.8874375067328943
Energy: 0.8968193659059258
Energy: 0.8031932983643825
Energy: 0.7543431300968406
Energy: 0.8855084267646747
Energy: 0.8985748157091875
Energy: 0.9129496988816429
Energy: 0.7923184298090354
Energy: 0.9054084614986558
Energy: 0.8861942040491556
Energy: 0.8981716526381606
Energy: 0.8644835279084269
Energy: 0.7907806246556693
Energy: 0.8970868416600429
Energy: 0.8371569525030265
Energy: 0.7466977563208314
Energy: 0.8242528869711654
Energy: 0.7789137393599911
Energy: 0.8207013561255447
Energy: 0.8212809545862837
Energy: 0.7402522391313034
Energy: 0.9086553318201985
Energy: 0.7854113152850883
Energy: 0.7396841212163009
Energy: 0.8498387068211937
Energy: 0.8178562610689566
Energy: 0.8718562181252836
Energy: 0.9095044177995357
Energy: 0.823173324644224
Energy: 0.818255702557068
Energy: 0.8187146205813655
Energy: 0.9384591562359832
Energy: 0.9140389317421326
Energy: 0.8252640190467281
Energy: 0.7372538498138513
Energy: 0.736896686046193
Energy: 0.7862789161157006
Energy: 0.7388451403232245
Energy: 0.8262981481813613
Energy: 0.73783082077805
Energy: 0.7376828895835394
Energy: 0.6815650628125723
Energy: 0.7398271409796192
Energy: 0.8262237372184417
Energy: 0.9074462772489553
Energy: 0.8046302255428321
Energy: 0.7928273712830578
Energy: 0.8090768422024464
Energy: 0.8321926163039477
Energy: 0.796883689452105
Energy: 0.8026959282377653
Energy: 0.7909586218957109
Energy: 0.8014316398834763
Energy: 0.7156611341332865
Energy: 0.9178726434204368
Energy: 0.798068571283972
Energy: 0.8032519033111418
Energy: 0.7859914772655323
Energy: 0.7465349949080801
Energy: 0.9206815124147619
Energy: 0.7970261929729456
Energy: 0.8050207268155586
Energy: 0.7817402519331369
Energy: 0.7454898403937937
Energy: 0.7877148648264853
Energy: 0.7708896052912504
Energy: 0.793972721752915
Energy: 0.7881374381059872
Energy: 0.8251944341179067
Energy: 0.7933915268526223
Energy: 0.7947209057801676
Energy: 0.7889216981343969
Energy: 0.7411228335868223
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Energy: 0.9023223520723345
Energy: 0.8044109108185925
Energy: 0.8875313771909824
Energy: 0.8879896156706553
Energy: 0.8854960387252636
Energy: 0.9180370088735336
Energy: 0.8039656264566821
Energy: 0.8993715755583916
Energy: 0.8872793026395659
Energy: 0.8830437437244327
Energy: 0.8020022056780002
Energy: 0.7808402502105297
Energy: 0.8340296338865806
Energy: 0.8298750437167489
Energy: 0.739521671314788
Energy: 0.7959391625241311
Energy: 0.8100872778656419
Energy: 0.8347817948748278
Energy: 0.74497320418976
Energy: 0.7386773577215098
Energy: 0.9469975347054204
Energy: 0.8188411124331884
Energy: 0.8386923352967421
Energy: 0.8192031606272797
Energy: 0.8727236903156042
Energy: 0.9443447262843883
Energy: 0.8187908475508768
Energy: 0.8392545862942966
Energy: 0.8194618202923147
Energy: 0.8769532501255255
Energy: 0.672911977585857
Energy: 0.7850577459345984
Energy: 0.8221610051668136
Energy: 0.7389242592816627
Energy: 0.7889293834280964
Energy: 0.6728838046668374
Energy: 0.7403907539379042
Energy: 0.8234608980401857
Energy: 0.7380990409211243
Energy: 0.7807551846121297
Energy: 0.7857205241768216
Energy: 0.8165085652996522
Energy: 0.7910079977972256
Energy: 0.8091616664407794
Energy: 0.8031018709381367
Energy: 0.804579779854674
Energy: 0.8177623145364151
Energy: 0.7952628594456652
Energy: 0.8104705257129857
Energy: 0.8063813627478518
Energy: 0.7916759040505137
Energy: 0.7912803146666993
Energy: 0.8327117293416216
Energy: 0.7871139325344421
Energy: 0.6926886856589356
Energy: 0.7951535710428272
Energy: 0.7910808502897719
Energy: 0.8175255495679636
Energy: 0.7823490467164205
Energy: 0.6926882273704326
Energy: 0.8196006834749356
Energy: 0.8335714422254787
Energy: 0.886295320590098
Energy: 0.9075083770222104
Energy: 0.8025850413529184
Energy: 0.7390167184139363
Energy: 0.8343726243502371
Energy: 0.8951483454225615
Energy: 0.7810495314254119
Energy: 0.7985322719362948
Energy: 0.8854002918044911
Energy: 0.8867570909706668
Energy: 0.894735521537051
Energy: 0.7901248650645039
Energy: 0.8983371198460791
Energy: 0.885422065763674
Energy: 0.8874297627385547
Energy: 0.8972136774741496
Energy: 0.8128437600711677
Energy: 0.8964467510021245
Energy: 0.8348332574173358
Energy: 0.7407737413303018
Energy: 0.9191539023456282
Energy: 0.7810152300206532
Energy: 0.7412263716129318
Energy: 0.7395987673731735
Energy: 0.7410583125617819
Energy: 0.865175657242588
Energy: 0.777524378773474
Energy: 0.7412369826189096
Energy: 0.8518783006058295
Energy: 0.8214754568353609
Energy: 0.883799579136793
Energy: 0.6730588662060892
Energy: 0.8232976284787914
Energy: 0.8493785222971417
Energy: 0.8308261397994688
Energy: 0.6736525987676445
Energy: 0.6718481159918747
Energy: 0.8248519653638701
Energy: 0.7411471447877086
Energy: 0.736034693614023
Energy: 0.6824703659333529
Energy: 0.6758529257022271
Energy: 0.8250633439407201
Energy: 0.7387032864704888
Energy: 0.7372213495677525
Energy: 0.6822992881729338
Energy: 0.82059986243607
Energy: 0.8229009276086771
Energy: 0.7407321030453815
Energy: 0.8027376905631616
Energy: 0.7933034935231904
Energy: 0.7896758633367112
Energy: 0.832420087183715
Energy: 0.7405532045488447
Energy: 0.8013483044467092
Energy: 0.7976841635849174
Energy: 0.7906875345553662
Energy: 0.7182049553718847
Energy: 0.9541276475590675
Energy: 0.7939332677647265
Energy: 0.7998911954447075
Energy: 0.7833803111205087
Energy: 0.7455389974436805
Energy: 0.8018834918691158
Energy: 0.7866494502130567
Energy: 0.8089371433669648
Energy: 0.7756356000413145
Energy: 0.7451475556283537
Energy: 0.8126102417245237
Energy: 0.8024249890413171
Energy: 0.7779968349143063
Energy: 0.735043371378075
Energy: 0.8002339985342757
Energy: 0.786946830442415
Energy: 0.7554755912727479
Energy: 0.787589281990799
Energy: 0.7490484407927792
Energy: 0.8217983097120741
Energy: 0.9237285440876375
Energy: 0.8164641889717078
Energy: 0.9152465502207302
Energy: 0.8885918532260488
Energy: 0.8849703242351683
Energy: 0.8677378009811989
Energy: 0.803507358077789
Energy: 0.8614478994997793
Energy: 0.8862028185736455
Energy: 0.8928740067261701
Energy: 0.8087080277667178
Energy: 0.8041337052958676
Energy: 0.7308065396024956
Energy: 0.7410854835153123
Energy: 0.7821486673892273
Energy: 0.7521249144055574
Energy: 0.7758147095315427
Energy: 0.8293680451643507
Energy: 0.7483070572912693
Energy: 0.8130630376970203
Energy: 0.9737360142881787
Energy: 0.8040413807234776
Energy: 0.8147129631030307
Energy: 0.8034817527548271
Energy: 0.8738718527614612
Energy: 0.888622681447046
Energy: 0.8117617478461248
Energy: 0.8152257775741194
Energy: 0.8029442483767437
Energy: 0.8979897016152923

minimum gb energy = 0.6718481159918747 eV
minimum distance =  2.54901993025904 Angstroms
sigma value = 75


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

Energy: 1.2210134201537097
Energy: 0.810300722419367
Energy: 0.8154259704002614
Energy: 0.8354931084880013
Energy: 0.7492083478746193
Energy: 0.7452670235743828
Energy: 0.8059395215309383
Energy: 0.8217999057687847
Energy: 0.8458884338473264
Energy: 0.8095047490430184
Energy: 0.8560579957486596
Energy: 0.8456701419340866
Energy: 0.8043442396188659
Energy: 0.8398306095194109
Energy: 0.8103586430287768
Energy: 0.8165885047292819
Energy: 0.7837339732264565
Energy: 0.8364650720278652
Energy: 0.8571077661629397
Energy: 0.8413123868956898
Energy: 0.8560099107415172
Energy: 0.8161121954176035
Energy: 0.9716504450006722
Energy: 0.835030766793933
Energy: 0.7879196233460889
Energy: 0.8106018595027366
Energy: 0.8175271319946995
Energy: 0.9714606311844235
Energy: 0.8178179681786131
Energy: 0.7877371496180401
Energy: 0.8066221297518649
Energy: 0.7859051658773002
Energy: 0.8458966600236243
Energy: 0.818747202115644
Energy: 0.7893607266148146
Energy: 0.7905920034574521
Energy: 0.8362615733799013
Energy: 0.8104209675456452
Energy: 0.8450360155751828
Energy: 0.7896323993773094
Energy: 0.8167056769221424
Energy: 0.7357029683647854
Energy: 0.8066965983455268
Energy: 0.8572994597486436
Energy: 0.7764111230255725
Energy: 0.81926269426061
Energy: 0.7689866103236774
Energy: 0.7869842685874643
Energy: 0.8000412972219774
Energy: 0.8222436705899069
Energy: 0.7390818345162141
Energy: 0.7351545227845502
Energy: 0.8136100997785571
Energy: 0.8406222747203581
Energy: 0.8456278320085033
Energy: 0.7718709246366696
Energy: 0.7642302730725682
Energy: 0.8317475865427114
Energy: 0.8253024716198677
Energy: 0.8412675360903222
Energy: 0.7981241151937244
Energy: 0.8473229564395757
Energy: 0.8155156751982636
Energy: 0.8493317897504791
Energy: 0.8305334452745132
Energy: 0.8331329752654577
Energy: 0.836838868287851
Energy: 0.8105089977668848
Energy: 0.8384603418423141
Energy: 0.8514054864286258
Energy: 0.7887904462255589
Energy: 0.8382925402737839
Energy: 0.9720302241792474
Energy: 0.9718810817647183
Energy: 0.811558201240048
Energy: 0.7894728023191743
Energy: 0.8633864023423637
Energy: 0.9716849687402069
Energy: 0.9706294361314057
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Energy: 0.78882064510496
Energy: 0.779625645240148
Energy: 0.826660037719365
Energy: 0.8018387676339997
Energy: 0.8529380959329773
Energy: 0.7895631634638342
Energy: 0.780323092083091
Energy: 0.7879268466827692
Energy: 0.8257030253158978
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Energy: 0.8021579692002407
Energy: 0.7544846824012705
Energy: 0.759003731515929
Energy: 1.0074412095164653
Energy: 0.8072615477006819
Energy: 0.80406553737624
Energy: 0.7373029535297153
Energy: 0.7349907958176924
Energy: 0.8101889747653721
Energy: 0.8424610338700953
Energy: 0.8565149881969546
Energy: 0.7665569919147089
Energy: 0.7550759619198045
Energy: 0.8325007117902292
Energy: 0.8405414875968388
Energy: 0.8469473904016949
Energy: 0.7361069438330837
Energy: 0.7352160007894207
Energy: 0.8225757612352423
Energy: 0.8495035540962305
Energy: 0.8240038199176224
Energy: 0.788660163674656
Energy: 0.8393284117962858
Energy: 0.8237084108237165
Energy: 0.8452454155266022
Energy: 0.839333837386579
Energy: 0.7894132463687482
Energy: 0.7881387983386986
Energy: 0.7878246108073672
Energy: 0.8294952546491963
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Energy: 0.7907921536867826
Energy: 0.8366585084623946
Energy: 0.9691602037320326
Energy: 0.8180135818006522
Energy: 0.8295123991329398
Energy: 0.7915831264611631
Energy: 0.847562631616389
Energy: 0.7971906024649469
Energy: 0.8370529037225062
Energy: 0.8668556990369433
Energy: 0.7921887220634464
Energy: 0.7854799164500329
Energy: 0.821031668870939
Energy: 0.8590857076714091
Energy: 0.8320528406222015
Energy: 0.8110176169034476
Energy: 0.7900055507273727
Energy: 0.8181743046311052
Energy: 0.8139285243528362
Energy: 0.8195034410816383
Energy: 0.8307474542150697
Energy: 0.7450191956169764
Energy: 0.7490893981164587
Energy: 1.0041626673852875
Energy: 0.8545644286960246
Energy: 0.7931534156845061
Energy: 0.7458335114796215
Energy: 0.7504010356873126
Energy: 0.8135420330262814
Energy: 0.8468634443604625
Energy: 0.8596354249304518
Energy: 0.7465503941250358
Energy: 0.7452856050070066
Energy: 0.8380784537662986
Energy: 0.849461663891386
Energy: 0.846665538491205
Energy: 0.7477757302499872
Energy: 0.7446294465508112
Energy: 0.8350320682080988
Energy: 0.8233707217150696
Energy: 0.8166836263536633
Energy: 0.8269138652906519
Energy: 0.8287740261556427
Energy: 0.8018931500127763
Energy: 0.8365500567847121
Energy: 0.8351491897120812
Energy: 0.8376760191128898
Energy: 0.8036509649290653
Energy: 0.794403481395467
Energy: 0.8285990205300933
Energy: 0.7928247710796369
Energy: 0.7928596433865305
Energy: 0.8432727504561746
Energy: 0.7940398272871356
Energy: 0.7996900183312731
Energy: 0.7925072633457562
Energy: 0.7914798214088725
Energy: 0.8323282142358263
Energy: 0.8024263973224242
Energy: 0.8238423293240217
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minimum gb energy = 0.7249454562504255 eV
minimum distance =  2.50567863011953 Angstroms
sigma value = 105


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

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Energy: 0.8934295437128841
Energy: 0.8252579116058919
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Energy: 0.8050853107127482
Energy: 0.8560804349557679
Energy: 0.8204362590514942
Energy: 0.8699466408832697
Energy: 0.8437667525713841
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Energy: 0.8681390167056378
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Energy: 0.8317208267136471
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Energy: 0.8052060721808739
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Energy: 0.8863281727308897
Energy: 0.8409178642529542
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Energy: 0.829928906948349
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Energy: 0.832438366862495
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Energy: 0.819980798210145
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Energy: 0.8983749562143933
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Energy: 0.7999209233533279
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Energy: 0.8316393380368545
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Energy: 0.8082650818835891
Energy: 0.8077802241258445
Energy: 0.8647906844282516
Energy: 0.8136401211019523
Energy: 0.8099087582710877
Energy: 0.8877833415068047
Energy: 0.8369816106753102
Energy: 0.8140865007037232
Energy: 0.8096105459064971
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Energy: 0.8828062825840043
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Energy: 0.8168685923108794
Energy: 0.7995796482103525
Energy: 0.8449384030573742
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Energy: 0.8387822052954835
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Energy: 0.8186492302964461
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Energy: 0.811738284867803
Energy: 0.8221863688006064
Energy: 0.8222453652003613
Energy: 0.8289399483052491
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Energy: 0.8290322181748895
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Energy: 0.8250511443746935
Energy: 0.8308776263954626
Energy: 0.8346668036582116
Energy: 0.856400032778222
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Energy: 0.8150289164808284
Energy: 0.8204889823803531
Energy: 0.8700983896770331
Energy: 0.8414759520348787
Energy: 0.8348748554223328
Energy: 0.8256928285728541
Energy: 0.8395107179865899
Energy: 0.842961142794
Energy: 0.8255571784389217
Energy: 0.8259194458430663
Energy: 0.8257786723358073
Energy: 0.8320757841597387
Energy: 0.8782532801462607
Energy: 0.832299196538198
Energy: 0.8323873823250649
Energy: 0.8106211105361381
Energy: 0.8164275660953637
Energy: 0.8161624923245839
Energy: 0.8325047091183375
Energy: 0.8326393411867059
Energy: 0.8206125954694037
Energy: 0.8591266897055448
Energy: 0.793958299190438
Energy: 0.8350907711611221
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Energy: 0.8411801801473946
Energy: 0.8615165810245797
Energy: 0.8037284734934488
Energy: 0.8349204732147973
Energy: 0.8298664400624425
Energy: 0.8280317415086434
Energy: 0.8821484670144907
Energy: 0.8068027236894065
Energy: 0.8583081045734476
Energy: 0.8352054382561742
Energy: 0.8404346050390332
Energy: 0.8466400622266631
Energy: 0.8183728689919728
Energy: 0.9062444836944057
Energy: 0.8359464580758721
Energy: 0.832816376341889
Energy: 0.8569860802359653
Energy: 0.8272253017122176
Energy: 0.8261092389985167
Energy: 0.8787649465653964
Energy: 0.8332644392264664
Energy: 0.8338026828961643
Energy: 0.8084543864196756
Energy: 0.8270210709583677
Energy: 0.8002088777000018
Energy: 0.8335547148754898
Energy: 0.8327970589528239
Energy: 0.8273562044851024
Energy: 0.882889011037607
Energy: 0.8818127817071293
Energy: 0.8809623393909758
Energy: 0.8388441359513856
Energy: 0.8059758302787858
Energy: 0.9255501402556925
Energy: 0.866868059596395
Energy: 0.8364643008687586
Energy: 0.8739272233027121
Energy: 0.8183493456175981
Energy: 0.8680671111057747
Energy: 0.8267152081548986
Energy: 0.8245922521322016
Energy: 0.8576429300693813
Energy: 0.8500824810933648
Energy: 0.8665708978906981
Energy: 0.8270259039030414
Energy: 0.8258970567380781
Energy: 0.8922071076414988
Energy: 0.9101582833112786
Energy: 0.814489442604938
Energy: 0.8273178142079005
Energy: 0.8081162487546394
Energy: 0.8984651842127023
Energy: 0.8437132445624318
Energy: 0.8155829600407168
Energy: 0.8298227470340239
Energy: 0.827214371975192
Energy: 0.8953220664840547
Energy: 0.8525101861938359
Energy: 0.8079534059853726
Energy: 0.8404801680005111
Energy: 0.8151678584330686
Energy: 0.9111439397702099
Energy: 0.8150958554197352
Energy: 0.8083647498521704
Energy: 0.8652918011887931
Energy: 0.8154060266799045
Energy: 0.9069273833326186
Energy: 0.8493736323397517
Energy: 0.8318918800347885
Energy: 0.8338232757881413
Energy: 0.8347823564719745
Energy: 0.8090943889860587
Energy: 0.7938420346448405
Energy: 0.8117510552619746
Energy: 0.8227201431609648
Energy: 0.876162390691968
Energy: 0.8513059567835946
Energy: 0.8392561758851125
Energy: 0.8279068174512177
Energy: 0.8563736934546679
Energy: 0.8510443142688338
Energy: 0.7991864967425871
Energy: 0.7986998469301669
Energy: 0.8005023103352726
Energy: 0.8461658308426876
Energy: 0.812866617117319
Energy: 0.8147810276355746

minimum gb energy = 0.7925974163109122 eV
minimum distance =  2.51831637193039 Angstroms
sigma value = 165


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

Energy: 1.0380083165616716
Energy: 0.8069466414746346
Energy: 0.8056786604098386
Energy: 0.8206869394344931
Energy: 0.7561218883209619
Energy: 0.9915055293492517
Energy: 0.8149343157551313
Energy: 0.8275196735005725
Energy: 0.8266426276262927
Energy: 0.7871512317199335
Energy: 0.8220241272832263
Energy: 0.8406355338194773
Energy: 0.8167116186830314
Energy: 0.8052473729338611
Energy: 0.7887381469341209
Energy: 0.8036877320003056
Energy: 0.7827291156129181
Energy: 0.8176266561033582
Energy: 0.8146497514724098
Energy: 0.8716480706986938
Energy: 0.8085432190459237
Energy: 0.8036716865832783
Energy: 0.8218902225546488
Energy: 0.8202169351512383
Energy: 0.7907827948209967
Energy: 0.7743980711611742
Energy: 0.8036344412697516
Energy: 0.8509690836440209
Energy: 0.8179072895540654
Energy: 0.8318154904928022
Energy: 0.7924629697180431
Energy: 0.8305027381069243
Energy: 0.8127024148038943
Energy: 0.8146370898660152
Energy: 0.81865379713691
Energy: 0.7882934135298433
Energy: 0.8167947991915988
Energy: 0.7963306714859111
Energy: 0.7854466912480498
Energy: 0.8251617623271361
Energy: 0.8555890162127738
Energy: 0.8066733253519202
Energy: 0.81231016884228
Energy: 0.8126139019739181
Energy: 0.7761507305201859
Energy: 0.8135568417988587
Energy: 0.7895122083727574
Energy: 0.8081701635748354
Energy: 0.8105944815352912
Energy: 0.8155598911508332
Energy: 0.8449679485517387
Energy: 0.7832211638071102
Energy: 0.8454012870888574
Energy: 0.7870557492244857
Energy: 0.7748481755740259
Energy: 0.7889875264892008
Energy: 0.7836515816697126
Energy: 0.8492492780978936
Energy: 0.7875110200329355
Energy: 0.8314530803708496
Energy: 0.8190936185083915
Energy: 0.8363306268133817
Energy: 0.8364633647945952
Energy: 0.8423107931815297
Energy: 0.8379965773360771
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Energy: 0.8177046099496846
Energy: 0.8415792100660243
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Energy: 0.7879142896201373
Energy: 0.7712610926916366
Energy: 0.8084227192484088
Energy: 0.8458014845190488
Energy: 0.8311044470175672
Energy: 0.8319508461798718
Energy: 0.8021324866876047
Energy: 0.8042444704189071
Energy: 0.8493703741317078
Energy: 0.830994886618466
Energy: 0.7569490927340793
Energy: 0.7598189774212665
Energy: 0.8390248390898633
Energy: 0.8289232609423122
Energy: 0.82505920487408
Energy: 0.7867172435968298
Energy: 0.7583365158764601
Energy: 0.7804506156100501
Energy: 0.8439102989562572
Energy: 0.8199325114232588
Energy: 0.7717395573783175
Energy: 0.8123784759904835
Energy: 0.7885565241550058
Energy: 0.8236207156018425
Energy: 0.8265172646467212
Energy: 0.8153804676827098
Energy: 0.8110949834672532
Energy: 0.8237940058993086
Energy: 0.8192084966121606
Energy: 0.8197436885310972
Energy: 0.8446455481641927
Energy: 0.8241770271972277
Energy: 0.8210606202551147
Energy: 0.8104229257488026
Energy: 0.8646764970390121
Energy: 0.828055506660962
Energy: 0.8173243772224249
Energy: 0.8494513743853219
Energy: 0.8146958712008263
Energy: 0.8697060769833416
Energy: 0.8148662404034627
Energy: 0.8542325250935866
Energy: 0.8746256833641258
Energy: 0.8121478146285872
Energy: 0.8095336396443091
Energy: 0.8281350934544787
Energy: 0.8208979619861176
Energy: 0.799509825801716
Energy: 0.8169755888265984
Energy: 0.8135211371678553
Energy: 0.8244671568223781
Energy: 0.832800014882659
Energy: 0.7886380782653576
Energy: 0.7740038113415298
Energy: 0.8147589264255342
Energy: 0.8180374788130709
Energy: 0.8415861456460902
Energy: 0.7874731803614834
Energy: 0.8146693815731519
Energy: 0.8209652422198415
Energy: 0.8174673954513815
Energy: 0.8106461244928008
Energy: 0.8044904797797802
Energy: 0.8287486647039571
Energy: 0.7982455228617358
Energy: 0.7719129809397223
Energy: 0.7947876466951874
Energy: 0.8040950707928927
Energy: 0.8349455603463911
Energy: 0.7973351091503671
Energy: 0.8108405383377671
Energy: 0.7907573264799983
Energy: 0.8176780469170278
Energy: 0.8331982881067868
Energy: 0.8342721923366723
Energy: 0.8003824854273031
Energy: 0.8054092398338678
Energy: 0.7867239352919988
Energy: 0.8268897208184081
Energy: 0.8277583160983795
Energy: 0.8408146044420772

minimum gb energy = 0.7561218883209619 eV
minimum distance =  2.54385303570846 Angstroms
sigma value = 41


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

Energy: 1.244934916947095
Energy: 0.7536707053006785
Energy: 0.7042432733488239
Energy: 0.7025553337442263
Energy: 0.6925355747448123
Energy: 0.6963587602945501
Energy: 0.7537531606511757
Energy: 0.7048461018405834
Energy: 0.7029627232247854
Energy: 0.6956249390756065
Energy: 0.7215163205968237
Energy: 0.6975516494084603
Energy: 0.6926295942595575
Energy: 0.6974394774731479
Energy: 0.7078161008639862
Energy: 0.7214569088457264
Energy: 0.6993234920421068
Energy: 0.6930973256279646
Energy: 0.6997205658974269
Energy: 0.7080949550728934
Energy: 0.6986214462289763
Energy: 0.6989489325919289
Energy: 0.7207057223658122
Energy: 0.6976471176173493
Energy: 0.6976767283258984
Energy: 0.6982435154458708
Energy: 0.698901226830981
Energy: 0.7247803117023652
Energy: 0.725378647885029
Energy: 0.69893963604467
Energy: 0.6939900532589854
Energy: 0.6960056709818389
Energy: 0.6997734015342961
Energy: 0.699331039383285
Energy: 0.7979334515664994
Energy: 0.694520381970296
Energy: 0.6920330276615213
Energy: 0.6989217855948157
Energy: 0.7213454070028386
Energy: 0.7978578758335556
Energy: 0.7127362552486952
Energy: 0.7027436411894223
Energy: 0.6987208516895405
Energy: 0.6985194351121
Energy: 0.7036955083121882
Energy: 0.735788840042448
Energy: 0.7012319613898502
Energy: 0.700490359275049
Energy: 0.6988557986648506
Energy: 0.7039626876365527
Energy: 0.6987856010712111
Energy: 0.8186799277080687
Energy: 0.7022698340020106
Energy: 0.6959714727343861
Energy: 0.6974385776635414
Energy: 0.6992533346145813
Energy: 0.7868138812451697
Energy: 0.6980263827320375
Energy: 0.6964203068777689
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Energy: 0.7082666123254943
Energy: 0.6991694969634809
Energy: 0.6986874740508356
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Energy: 0.7022863843528566
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Energy: 0.6986804242393064
Energy: 0.6986788336093878
Energy: 0.7507435048298675
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Energy: 0.7731297129924161
Energy: 0.6963994329138744
Energy: 0.6984468778062571
Energy: 0.6953255829095295
Energy: 0.7041919413494233
Energy: 0.7906933294572195
Energy: 0.6964714258854446
Energy: 0.6985741062930553
Energy: 0.7044642730748899
Energy: 0.6997770550805849
Energy: 0.7823148589020392
Energy: 0.7221191925386038
Energy: 0.820282936345772
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Energy: 0.6963203785729404
Energy: 0.7147255822584219
Energy: 0.7212468719808416
Energy: 0.819373504771041
Energy: 0.7221837386756439
Energy: 0.6967379005768773
Energy: 0.7055600513214316
Energy: 0.7007148655277234
Energy: 0.6936810952744671
Energy: 0.7033687350544415
Energy: 0.7070213003052029
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Energy: 0.6987144290162807
Energy: 0.6926417892439864
Energy: 0.6997656250763454
Energy: 0.7076402547988915
Energy: 0.7201577225354684
Energy: 0.6933280713393354
Energy: 0.6946749764542515
Energy: 0.698247129430063
Energy: 0.8741848932500653
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Energy: 0.6935991404873174
Energy: 0.7027618618939697
Energy: 0.6983044608289267
Energy: 0.7887173123597568
Energy: 0.6969678975291637
Energy: 0.7217501215048823
Energy: 0.7585073799910165
Energy: 0.69667375912828
Energy: 0.7199632484696912
Energy: 0.6976192807343413
Energy: 0.7220945410175693
Energy: 0.7603668172452274
Energy: 0.6971971003407433
Energy: 0.7221582013316572
Energy: 0.6917864840862997
Energy: 0.7581519638542422
Energy: 0.7052969291138353
Energy: 0.6949053755539499
Energy: 0.6985473907558085
Energy: 0.6914878984627186
Energy: 0.759822260828168
Energy: 0.7059555265049927
Energy: 0.7321616854522305
Energy: 0.6981487537924541
Energy: 0.7052920422339681
Energy: 0.6919255325998775
Energy: 0.6933073894152262
Energy: 0.6941229136890078
Energy: 0.6941062752841206
Energy: 0.7043851741007039
Energy: 0.6923465237455031
Energy: 0.7156229189874188
Energy: 0.6943644249311177
Energy: 0.7016434779265993
Energy: 0.716472881979789
Energy: 0.6969932864137985
Energy: 0.6976405244751842
Energy: 0.8470939805993456
Energy: 0.6973507231370173
Energy: 0.6935550378987603
Energy: 0.6963795397843044
Energy: 0.6979335157709081
Energy: 0.7220627075769263
Energy: 0.696881551809617
Energy: 0.8239608222529858
Energy: 0.6962421427010083
Energy: 0.6991818894758783
Energy: 0.6948242818946923
Energy: 0.6966158873582737
Energy: 0.8233529592779141
Energy: 0.6964280688464759
Energy: 0.6992755096610164
Energy: 0.6944824139838611
Energy: 0.6976742589053847
Energy: 0.7036756882303952
Energy: 0.6975141155188975
Energy: 0.6955798570942816
Energy: 0.6978038697210736
Energy: 0.6967805261776677
Energy: 0.7018119069264949
Energy: 0.6976615091904086
Energy: 0.6954865771685268
Energy: 0.6988812764568507
Energy: 0.6990082569854518
Energy: 0.6989408450350707
Energy: 0.6990371442534266
Energy: 0.7658620167815352
Energy: 0.7289505802862433
Energy: 0.7036065612440278
Energy: 0.6989924189487222
Energy: 0.6986270841308717
Energy: 0.7651601506421294
Energy: 0.7489018887991108
Energy: 0.7461869680663678
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Energy: 0.7139672912583649
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Energy: 0.6989365370427173
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Energy: 0.6982854159508912
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Energy: 0.6980820187868343
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Energy: 0.6967620283535043
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Energy: 0.6968184676022995
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Energy: 0.699090383467581
Energy: 0.6985698088577852
Energy: 0.8180696731903087
Energy: 0.6971537270784558
Energy: 0.6997528375189574
Energy: 0.6990736833112686
Energy: 0.6992946224038319
Energy: 0.8194115072506718
Energy: 0.696566820160763
Energy: 0.7369864000349496
Energy: 0.6967967105006716
Energy: 0.6903361536662278
Energy: 0.6933477174384426
Energy: 0.6968957719807065
Energy: 0.6991337224310831
Energy: 0.6966287026449939
Energy: 0.6901977782089539
Energy: 0.6941833819130901
Energy: 0.6949468795039155
Energy: 0.7583188695434853
Energy: 0.7028212140686458
Energy: 0.7011867030007093
Energy: 0.7183165531068313
Energy: 0.6946184512661113
Energy: 0.710778818550807
Energy: 0.70281001158092
Energy: 0.700342205011607
Energy: 0.7205327379940062
Energy: 0.7055374409421293
Energy: 0.7058376690616751
Energy: 0.7024523690886851
Energy: 0.7159875986424439
Energy: 0.7056076664814863
Energy: 0.7066886186208164
Energy: 0.7146219176191573
Energy: 0.7017800992790731
Energy: 0.7160974823762071
Energy: 0.6968978430988486
Energy: 0.7015299541922729
Energy: 0.6923619486553388
Energy: 0.7590885881457333
Energy: 0.7619239679419757
Energy: 0.6971316219370868
Energy: 0.8331678543631755
Energy: 0.6916633700862007
Energy: 0.7591174900322993
Energy: 0.7345501762465468
Energy: 0.6961494041034437

minimum gb energy = 0.6901977782089539 eV
minimum distance =  2.56984662654244 Angstroms
sigma value = 185


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

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Energy: 0.47241836085914807
Energy: 0.5497317525380769
Energy: 0.47770511316622294
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Energy: 0.46069143696321235
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Energy: 0.34217333826620094
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Energy: 0.425126659622868
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Energy: 0.3380767257527875
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Energy: 0.4695859966947705
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Energy: 0.4533321005918866
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Energy: 0.6991791931787555
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Energy: 0.4231621815697543
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Energy: 0.40505125931887503
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Energy: 0.5596634575113186
Energy: 0.411304576132611
Energy: 0.3168041161378836
Energy: 0.41677391635259015
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Energy: 0.45691520933026253
Energy: 0.4210007171597834
Energy: 0.4064963576332994
Energy: 0.4564544845953838
Energy: 0.5377965715145242
Energy: 0.521920227649772
Energy: 0.34222542235537434
Energy: 0.46275144761476017
Energy: 0.46076423665157473
Energy: 0.47120650305553763
Energy: 0.5221261971784927
Energy: 0.41778659812806623
Energy: 0.41681677203969514
Energy: 0.470318434325553
Energy: 0.5190266044254743
Energy: 0.5897112571879924
Energy: 0.4807508866921031
Energy: 0.5000542952987047
Energy: 0.47289448251655597
Energy: 0.472173664395718
Energy: 0.5283382082941555
Energy: 0.41114797969452244
Energy: 0.4113627123847211
Energy: 0.5366559809260516
Energy: 0.45603317792677595
Energy: 0.4556594494131422
Energy: 0.4624080376928074
Energy: 0.42095633250035713
Energy: 0.4832192699191362
Energy: 0.5049818762259519
Energy: 0.5014811083960315
Energy: 0.5493881202691747
Energy: 0.5126078099532272
Energy: 0.5226248412459918
Energy: 0.4797896335674948
Energy: 0.4831749451580693
Energy: 0.4210320891930107
Energy: 0.546633813402862
Energy: 0.5518686806788732
Energy: 0.40988638155748525
Energy: 0.5502182383853704

minimum gb energy = 0.31304827711750655 eV
minimum distance =  2.56756812334872 Angstroms
sigma value = 33


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

Energy: 1.0470063595226302
Energy: 0.627407194770523
Energy: 0.6396784266016071
Energy: 0.6683232025762186
Energy: 0.6106698995909735
Energy: 0.6108872630901357
Energy: 0.6275970105597898
Energy: 0.638753491917922
Energy: 0.6539495551849875
Energy: 0.6099875861400306
Energy: 0.6169158519299476
Energy: 0.629305033443847
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Energy: 0.6376991409837514
Energy: 0.6282102275533427
Energy: 0.6425030892866095
Energy: 0.6383985244832908
Energy: 0.6389612058510487
Energy: 0.6738699703178614
Energy: 0.6113086595640395
Energy: 0.6424129938128547
Energy: 0.6387472173847074
Energy: 0.6390645336575039
Energy: 0.6771316408534575
Energy: 0.6116644078002409
Energy: 0.6818052332315594
Energy: 0.6578874094011808
Energy: 0.6390516599667925
Energy: 0.6283365060510628
Energy: 0.6377969093288267
Energy: 0.6819759365242417
Energy: 0.6580747304985184
Energy: 0.6392765554676785
Energy: 0.62842771476003
Energy: 0.6122428101300392
Energy: 0.6275159665312405
Energy: 0.629968558787544
Energy: 0.6556634144480055
Energy: 0.6163996336104001
Energy: 0.6457895800794332
Energy: 0.6277133094350295
Energy: 0.6311461082795652
Energy: 0.6556299991548652
Energy: 0.6166562367356726
Energy: 0.6462962712289627
Energy: 0.6279943909603769
Energy: 0.6271226358178258
Energy: 0.6846096795916844
Energy: 0.6639092376150045
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Energy: 0.6852853904467849
Energy: 0.6772993308309516
Energy: 0.6123844906512986
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Energy: 0.6321743169131057
Energy: 0.6310647585397705
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Energy: 0.6535836242027482
Energy: 0.6842647705941002
Energy: 0.6326294875893294
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Energy: 0.6641002598962334
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Energy: 0.616872012208147
Energy: 0.6283987360298473
Energy: 0.6125503397727922
Energy: 0.6177728502181192
Energy: 0.6168519074835968
Energy: 0.6170124823430767
Energy: 0.6283848314375454
Energy: 0.6124201414678982
Energy: 0.6179618894446375
Energy: 0.6169664309455306
Energy: 0.6162746509001804
Energy: 0.6134279017078305
Energy: 0.6147696119707289
Energy: 0.6156874445752517
Energy: 0.618909774727042
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Energy: 0.6099266228895476
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Energy: 0.6290232681806571
Energy: 0.684751127898662
Energy: 0.6124366655438321
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Energy: 0.7151704605520587
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Energy: 0.6278112961980715
Energy: 0.6122966943237511
Energy: 0.6418017425955108
Energy: 0.7143724217781579
Energy: 0.6273311253986916
Energy: 0.6278794642035155
Energy: 0.6462533888934615
Energy: 0.6168361628882949
Energy: 0.6551904342536802
Energy: 0.6664220287635414
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Energy: 0.6461447872447073
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Energy: 0.6551228910260615
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Energy: 0.6087785677749766
Energy: 0.6279556413374643
Energy: 0.6390452681451989
Energy: 0.6629454977624762
Energy: 0.691159028689811

minimum gb energy = 0.6087785677749766 eV
minimum distance =  2.53361862756523 Angstroms
sigma value = 219


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

Energy: 1.1039393552757892
Energy: 0.7879862666975376
Energy: 0.8044676399280999
Energy: 0.8060075272286645
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Energy: 0.7894146180610011
Energy: 0.8065591405644793
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Energy: 0.83869966978297
Energy: 0.7825124083473264
Energy: 0.8061721683489191
Energy: 0.8040462784665442
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Energy: 0.7890158832568818
Energy: 0.7830304823829837
Energy: 0.8904551689573754
Energy: 0.8329928711518308
Energy: 0.8057315637627517
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Energy: 0.8139728449386321
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Energy: 0.805538899493308
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Energy: 0.7842225980876157
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Energy: 0.8137987869343376
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Energy: 0.8262996307072518
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Energy: 0.7880672535279759
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Energy: 0.788385940291104
Energy: 0.827378141991174
Energy: 0.8255346751921245
Energy: 0.7893963842503352
Energy: 0.7838831540148918
Energy: 0.7834705384797033
Energy: 0.7875364754936751
Energy: 0.7886634539087074
Energy: 0.7893163206032116
Energy: 0.7836512220404057
Energy: 0.7834084752153696
Energy: 0.8179871913573037
Energy: 0.8255875532336425
Energy: 0.7897988180379506
Energy: 0.7900464297037018
Energy: 0.7834303006592579
Energy: 0.8051692898801436
Energy: 0.7885457563212855
Energy: 0.7868778434596375
Energy: 0.790935622462725
Energy: 0.7836393919182988
Energy: 0.8298314208960774
Energy: 0.788320277273113
Energy: 0.7886982985967631
Energy: 0.7796921820758507
Energy: 0.7871765682991309
Energy: 0.8035897500571175
Energy: 0.805064523869486
Energy: 0.7873001517941435
Energy: 0.7810541344074545
Energy: 0.7879126547432123
Energy: 0.8035659330965744
Energy: 0.806250980129708
Energy: 0.7869538995741442

minimum gb energy = 0.7790963147887894 eV
minimum distance =  2.5386234037297 Angstroms
sigma value = 15


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

Energy: 1.293827048939744
Energy: 0.9140822913227777
Energy: 0.93881151073797
Energy: 0.9131554751417187
Energy: 0.9148670606997508
Energy: 0.9484606719202698
Energy: 0.9141866062390853
Energy: 0.9369098065443751
Energy: 0.9127701392014917
Energy: 0.9355643860211348
Energy: 0.9245941746016475
Energy: 0.8995289490715828
Energy: 0.9265530143360211
Energy: 0.9256890853556496
Energy: 0.9129528177920191
Energy: 0.9233033027712232
Energy: 0.9003810173276755
Energy: 0.9234784373771413
Energy: 0.9230975095942625
Energy: 0.9047518365493338
Energy: 0.8955241791529124
Energy: 0.9184272288956205
Energy: 0.9132088816282874
Energy: 0.9250184642320661
Energy: 0.8910476526308925
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Energy: 0.9223444709987787

minimum gb energy = 0.8866799520383002 eV
minimum distance =  2.49255535965023 Angstroms
sigma value = 293


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

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Energy: 0.9069566417907867
Energy: 0.9073819335116599
Energy: 0.9273257541925864
Energy: 0.9007396748521914
Energy: 0.9100215169024876
Energy: 0.9049555323807054
Energy: 0.9106410512910005
Energy: 0.9273153822768933
Energy: 0.9027723526113178
Energy: 0.8789100876384021
Energy: 0.9137226805103901
Energy: 0.9401114986008393
Energy: 0.912668191549665
Energy: 0.9159110174467522
Energy: 0.9538667108413358
Energy: 0.9429840205776033
Energy: 0.9412744385266386
Energy: 0.9293501715271628
Energy: 0.8904741831622982
Energy: 0.9562037594090625
Energy: 0.9064545973819459
Energy: 0.9006275849692377
Energy: 0.9132859277341419
Energy: 0.9042655350535216
Energy: 0.9510315659081312
Energy: 0.9062856320280898
Energy: 0.8901246404316312
Energy: 0.9151446916368627
Energy: 0.906072635770361
Energy: 0.9507254205176463
Energy: 0.9029126078433398
Energy: 0.8971965693464852
Energy: 0.932898337920657
Energy: 0.912486687373148
Energy: 0.9311319496185978
Energy: 0.9027861367726836
Energy: 0.8969302827872021
Energy: 0.9097511506576392
Energy: 0.9309007071479642
Energy: 0.9302860030567914
Energy: 0.8725181533846819
Energy: 0.924865097881342
Energy: 0.9109611919864701
Energy: 0.9032618181514277
Energy: 0.9087473913649926
Energy: 0.9397080472517926
Energy: 0.9270383498190171
Energy: 0.9073712207119948
Energy: 0.904770798516604
Energy: 0.9082962479286582
Energy: 0.9057140606995011
Energy: 0.8905068988875534
Energy: 0.9117351671085069
Energy: 0.9127369780799387
Energy: 0.9049244669567913
Energy: 0.9053732449238201
Energy: 0.8915938562070334
Energy: 0.9110822875774156
Energy: 0.9131090412461395
Energy: 0.8956081393140006
Energy: 0.893466248398111
Energy: 0.914439355712241
Energy: 0.8974747105955148
Energy: 0.9410806523821609
Energy: 0.8909066853398261
Energy: 0.9156569041389794
Energy: 0.9130568778539088
Energy: 0.899370158423302
Energy: 0.941223048298873
Energy: 0.9158216476547342
Energy: 0.9154101534572564
Energy: 0.8791845732800055
Energy: 0.9059002258935093
Energy: 0.9142500076471344
Energy: 0.8971604784871802
Energy: 0.9365030620115071
Energy: 0.8802030108366122
Energy: 0.8746183127092046
Energy: 0.9148638005404353
Energy: 0.9240724643275419
Energy: 0.9158489449891337
Energy: 0.8759716130869116
Energy: 0.9080935964643418
Energy: 0.9115130960378801
Energy: 0.8938460899179363
Energy: 0.9151252612439273
Energy: 0.8763349301956429
Energy: 0.9310264922515517
Energy: 0.9117697544689124
Energy: 0.8947366673185592
Energy: 0.9103719916015218
Energy: 0.9007168187746334
Energy: 0.9151339219303267
Energy: 0.909199417765083
Energy: 0.9140549997633379
Energy: 0.9108586636807384
Energy: 0.8999524293185659
Energy: 0.914493831817267
Energy: 0.9080716058357131
Energy: 0.9092876694018752
Energy: 0.8798215069222078
Energy: 1.0154122195232447
Energy: 0.9261150063102661
Energy: 0.9029336375027152
Energy: 0.9211726120939762
Energy: 0.8788014197411297
Energy: 0.9034511492141131
Energy: 0.9251113987823623
Energy: 0.9035569994059867
Energy: 0.9220650022393155
Energy: 0.9588171887989334
Energy: 0.9530439277548116
Energy: 0.9306608921001928
Energy: 0.9407685419546005
Energy: 0.9419307280409926
Energy: 0.8977247359053385
Energy: 0.9513496827371517
Energy: 0.9298197402546493
Energy: 0.9403643385382371
Energy: 0.9145211937131419
Energy: 0.8997122433687549
Energy: 0.959096393469066
Energy: 0.9530911592367908
Energy: 0.9250151109363183
Energy: 0.9126542422581723
Energy: 0.9252099230531995
Energy: 0.9568991553735887
Energy: 0.9544360060744786
Energy: 0.8994628552262707
Energy: 0.913856209456385
Energy: 0.9117532569633954
Energy: 0.9171192540916004
Energy: 0.9485842328611966
Energy: 0.908047542054341
Energy: 0.9066758143406943
Energy: 0.9006487417890885
Energy: 0.9173128266526048
Energy: 0.940682204611775
Energy: 0.9085694244793853
Energy: 0.9072270614103861
Energy: 0.9038115373548252
Energy: 0.9066033363165109
Energy: 0.868573399119281
Energy: 0.8854618037613204
Energy: 0.9153922639620775
Energy: 0.9027039323913679
Energy: 0.9127832021125766
Energy: 0.8765666593851511
Energy: 0.8863524492967548
Energy: 0.9171701261155392
Energy: 0.911210581072211
Energy: 0.9142856472538603
Energy: 0.8991640930161461
Energy: 0.9150243520167778
Energy: 0.8927918764816658
Energy: 0.9131022356399348
Energy: 0.9145863169759537
Energy: 0.8997338178757003
Energy: 0.9132277875327799
Energy: 0.8941928880761417
Energy: 0.9009448121183222
Energy: 0.9386125658646745
Energy: 0.89815464036848
Energy: 0.9139159691322349
Energy: 0.896299492883347
Energy: 0.9121236123926441
Energy: 0.9390905354964423
Energy: 0.898157396090244
Energy: 0.9139783277393033
Energy: 0.89589720965884
Energy: 0.8747999788664547
Energy: 0.8865614432325715
Energy: 0.9156012245087359
Energy: 0.9420858025669321
Energy: 0.8759725183285441
Energy: 0.8926751926797598
Energy: 0.9043445340092117
Energy: 0.942593963836899
Energy: 0.9411330536088406
Energy: 0.8738574009598095
Energy: 0.9420636295477555
Energy: 0.901032335241735
Energy: 0.9094905420982785
Energy: 0.9126267498807344
Energy: 0.9309423049177901
Energy: 0.9447241012309641
Energy: 0.8993225662813928
Energy: 0.9106968220727055
Energy: 0.9129782127740634
Energy: 0.8738616563596808
Energy: 0.9144586938727914
Energy: 0.9093110119593985
Energy: 0.8994821937894764
Energy: 0.951740714860388
Energy: 0.8971715852364874
Energy: 0.9143281965969571
Energy: 0.9112038375433357
Energy: 0.8981734622694272
Energy: 0.9529747646318869
Energy: 0.9662887852287867
Energy: 0.905831982820962
Energy: 0.900036955551938
Energy: 0.9255187215377118
Energy: 0.9406700215166168
Energy: 0.8792767240000806
Energy: 0.9068919112124999
Energy: 0.9003304046643684
Energy: 0.9266383393471024
Energy: 1.0153029117966827
Energy: 0.8787309793839845
Energy: 0.9099252221929321
Energy: 0.9406231682000088
Energy: 0.9453548932300885
Energy: 0.9002479054512728
Energy: 0.9520392228648626
Energy: 0.9424875787367948
Energy: 0.941478735018638
Energy: 0.9448928624117869
Energy: 0.9007887713834986
Energy: 0.9532441556886619
Energy: 0.9056497222160543
Energy: 0.8859031479262464
Energy: 0.9539954035607496
Energy: 0.9063878800112911
Energy: 0.9521518401377912
Energy: 0.9058281451049102
Energy: 0.884693964109179
Energy: 0.9526683659122722
Energy: 0.8938485741095291
Energy: 0.9515173562289222
Energy: 0.9046858541480327
Energy: 0.9087415190713494
Energy: 0.907032265547887
Energy: 0.9135463108183188
Energy: 0.8977676089769829
Energy: 0.9215950917524953
Energy: 0.9068156924695774
Energy: 0.9264187232336643
Energy: 0.9144942281654282
Energy: 0.8893082469847479

minimum gb energy = 0.8682167624013413 eV
minimum distance =  2.50169880725628 Angstroms
sigma value = 293


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

Energy: 0.8462650508274098
Energy: 0.8695015965000631
Energy: 0.8665463002992769
Energy: 0.9022951322549254
Energy: 0.8497594172664403
Energy: 0.8463586030993672
Energy: 0.8700757707525782
Energy: 0.8653361217410572
Energy: 0.9025386535521787
Energy: 0.8497407215798954
Energy: 0.8649938828195366
Energy: 0.8651666053368207
Energy: 0.8616310134451606
Energy: 0.8740054302210548
Energy: 0.8981546466630543
Energy: 0.8999036665164298
Energy: 0.8649157573451154
Energy: 0.8624660887310655
Energy: 0.8752606950409589
Energy: 0.8992732612753614
Energy: 0.873099312728252
Energy: 0.8638304818322533
Energy: 0.8661692727755357
Energy: 0.8619020827119557
Energy: 0.9203389681610724
Energy: 0.8723105067198216
Energy: 0.8750160268987699
Energy: 0.8658009865982269
Energy: 0.8924027500214254
Energy: 0.8689385118663854
Energy: 0.874312059915679
Energy: 0.8544171764485095
Energy: 0.8498071004560125
Energy: 0.871964082238033
Energy: 0.865455677320227
Energy: 0.8753558766446313
Energy: 0.8536745062025415
Energy: 0.8496215472539453
Energy: 0.8717423784884971
Energy: 0.8478283364206352
Energy: 0.901774424459384
Energy: 0.8506217497672834
Energy: 0.8510892341893291
Energy: 0.9145597467591505
Energy: 0.8706536589395578
Energy: 0.8734669273150312
Energy: 0.85022165944278
Energy: 0.8508120087120242
Energy: 0.8678927595855763
Energy: 0.8714752580791694
Energy: 0.8738717796441685
Energy: 0.8698418518932645
Energy: 0.9020727496905345
Energy: 0.8632672050063013
Energy: 0.861354594303191
Energy: 0.8719310281634665
Energy: 0.8921635305112031
Energy: 0.9024518184732406
Energy: 0.8651189918130718
Energy: 0.8605912770712253
Energy: 0.8699416752238947
Energy: 0.8470684738698571
Energy: 0.8725619940894312
Energy: 0.8659285594790295
Energy: 0.8641243649554851
Energy: 0.8692205567912457
Energy: 0.8454007053442668
Energy: 0.8719468184748983
Energy: 0.8662890886968733
Energy: 0.8658057183545704
Energy: 0.8995207019321776
Energy: 0.8633940830595948
Energy: 0.8726562064401345
Energy: 0.8510394674331325
Energy: 0.8506566025927484
Energy: 0.9006665211850751
Energy: 0.8635957455570455
Energy: 0.8704982881996424
Energy: 0.8525180688363155
Energy: 0.8506300657992772
Energy: 0.8648058566260693
Energy: 0.8632516582896973
Energy: 0.8720428909786252
Energy: 0.8502343517745109
Energy: 0.8664318565201247
Energy: 0.8652809995256274
Energy: 0.8732188793417471
Energy: 0.8713270934937499
Energy: 0.8509797773177059
Energy: 0.868283718312224
Energy: 0.8654113019482605
Energy: 0.8658683525137736
Energy: 0.8648527424350909
Energy: 0.9067002002854995
Energy: 0.9034908878216875
Energy: 0.8659844618115562
Energy: 0.8668352361876457
Energy: 0.8633325525733397
Energy: 0.9065361476353536
Energy: 0.8605440682997748
Energy: 0.8532175936166382
Energy: 0.8988393572001382
Energy: 0.9032670019831153
Energy: 0.9263686953861373
Energy: 0.8679532981636112
Energy: 0.8526448016562593
Energy: 0.8984514448286371
Energy: 0.8445131362220516
Energy: 0.9062364464713059
Energy: 0.8695827174951991
Energy: 0.8461859459783488
Energy: 0.8693247146905562
Energy: 0.8639299244962282
Energy: 0.9015291873063422
Energy: 0.8498919647628266
Energy: 0.8463784696841529
Energy: 0.9008418346884457
Energy: 0.8650199289137448
Energy: 0.9027138584134523
Energy: 0.8498901014307967
Energy: 0.8616267533916402
Energy: 0.8648569676005694
Energy: 0.8602690697564955
Energy: 0.8736719610196103
Energy: 0.898745311399497
Energy: 0.9006875790852242
Energy: 0.8643861343481254
Energy: 0.8625161519742983
Energy: 0.8747375037827252
Energy: 0.8999971867610936
Energy: 0.8734170271166561
Energy: 0.8617962130819387
Energy: 0.8658015946718656
Energy: 0.8874071033963776
Energy: 0.9209352027170338
Energy: 0.8728545097985971
Energy: 0.8751520821560491
Energy: 0.8655728820276566
Energy: 0.8667198748427339
Energy: 0.8701903113370365
Energy: 0.8769164437432
Energy: 0.8549435859644816
Energy: 0.8498256926239871
Energy: 0.8720231757618292
Energy: 0.8668860453880866
Energy: 0.8783526107796069
Energy: 0.8536534994210111
Energy: 0.8499958136581588
Energy: 0.8714088235724831
Energy: 0.8648379345197641
Energy: 0.9023614257192114
Energy: 0.8502369652789521
Energy: 0.8515175163784265
Energy: 0.9005417282091749
Energy: 0.8705631464496274
Energy: 0.8735618700130732
Energy: 0.850409102932255
Energy: 0.8512710139746765
Energy: 0.8681529228053783
Energy: 0.8717153738478948
Energy: 0.8736601527631817
Energy: 0.870601019519338
Energy: 0.9013750429464296
Energy: 0.862633883658569
Energy: 0.8619153556296286
Energy: 0.8723235601035145
Energy: 0.8673437671016074
Energy: 0.9022355234730228
Energy: 0.864547661200128
Energy: 0.8611777789014962
Energy: 0.9262015555834845
Energy: 0.846714617469454
Energy: 0.8724991973072121
Energy: 0.86739416876613
Energy: 0.9071847918608908
Energy: 0.9201451598692544
Energy: 0.8453217975495217
Energy: 0.8719026879202265
Energy: 0.8675706503724274
Energy: 0.8713769220830442
Energy: 0.9006218113137755
Energy: 0.8622084849658863
Energy: 0.8723110736159807
Energy: 0.850352272256365
Energy: 0.8505387723620649
Energy: 0.9021935859548394
Energy: 0.8629209492758168
Energy: 0.8705336972134646
Energy: 0.8501141209210966
Energy: 0.8506173844582723
Energy: 0.8653333602346246
Energy: 0.8635659280225436
Energy: 0.8721401580140046
Energy: 0.8507472959378539
Energy: 0.8700351873636284
Energy: 0.8646395898695186
Energy: 0.8730969050140505
Energy: 0.8719106211085409
Energy: 0.8518881738349983
Energy: 0.8678456061341969
Energy: 0.8651236138074605
Energy: 0.8651788774732366
Energy: 0.8638709456812805
Energy: 0.9066419793161264
Energy: 0.903645104678035
Energy: 0.8664876272192161
Energy: 0.8668246385374577
Energy: 0.8635507422090589
Energy: 0.9035572778861335
Energy: 0.859318337080154
Energy: 0.8527801425602306
Energy: 0.8721161465397377
Energy: 0.9034175666710377
Energy: 0.8683070063615688
Energy: 0.8678073597118804
Energy: 0.8560219602603935
Energy: 0.8716874325650054
Energy: 0.844503849509692
Energy: 0.8685891123647381
Energy: 0.8666907232250146

minimum gb energy = 0.844503849509692 eV
minimum distance =  2.51864354138987 Angstroms
sigma value = 15


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

Energy: 1.3503658645214045
Energy: 0.9642998638920137
Energy: 0.9277762459714144
Energy: 0.9085127379333139
Energy: 0.919839615586335
Energy: 0.8885687322716141
Energy: 0.9435603247999486
Energy: 0.9613648158812854
Energy: 0.9125096467549507
Energy: 0.9509566004839038
Energy: 0.8865158263597521
Energy: 0.9404049398710681
Energy: 0.9051648291981247
Energy: 0.9072813720850007
Energy: 0.955692366144697
Energy: 0.8686880976966526
Energy: 0.9394652844286684
Energy: 0.906924050718275
Energy: 0.937138931508195
Energy: 0.9004625061073851
Energy: 0.9753329092148662
Energy: 0.9506278513094357
Energy: 0.9370927352191919
Energy: 0.9287718880925245
Energy: 1.005384572627326
Energy: 0.9418578064105511
Energy: 0.948666923489425
Energy: 0.9378770335415765
Energy: 0.9027327004805289
Energy: 0.9986080562498337
Energy: 0.9121166143998182
Energy: 0.8944474340469086
Energy: 1.020690934487918
Energy: 0.9815826492991504
Energy: 1.008312695061805
Energy: 0.9219098450242357
Energy: 0.9005516558203078
Energy: 0.9129632626557196
Energy: 0.9751717724369825
Energy: 0.9992927669781755
Energy: 1.008104529301637
Energy: 0.9038519657478198
Energy: 0.8980536103876688
Energy: 0.9240218311999818
Energy: 0.9454709343202751
Energy: 0.9882582814175355
Energy: 0.9031385389150521
Energy: 0.9194439922761424
Energy: 0.9254580999843071
Energy: 0.9328366191436468
Energy: 0.9468215337079844
Energy: 0.8853857646750619
Energy: 0.8911782648691277
Energy: 0.9403799062582846
Energy: 1.0583135607194463
Energy: 0.9157834370404042
Energy: 0.8845275988170218
Energy: 0.8915039428802879
Energy: 0.9846720291347484
Energy: 1.1062888243993356
Energy: 0.8902113305327982
Energy: 0.8876464713856997
Energy: 0.8870791975242431
Energy: 0.9164933242888105
Energy: 0.9483355653629574
Energy: 0.8894710570103814
Energy: 0.8840425426250463
Energy: 0.8875516042442897
Energy: 0.8849761373476067
Energy: 0.9197491273067365
Energy: 0.8909083793282575
Energy: 0.8846695480784715
Energy: 0.886527544824503
Energy: 0.8962403347483616
Energy: 0.9722668521778888
Energy: 0.8918102562357363
Energy: 0.8832842498463093
Energy: 0.8860226651154912
Energy: 0.9467113174950917
Energy: 0.9677827641286275
Energy: 0.9087595904741066
Energy: 1.054517566678159
Energy: 0.9488912595079724
Energy: 0.9645904003854996
Energy: 0.8883733455490623
Energy: 0.9089707724993196
Energy: 1.0529917310241537
Energy: 0.9449857582073172
Energy: 1.016279294027615
Energy: 0.886081645789631
Energy: 0.9453957493255144
Energy: 0.9069102462958586
Energy: 0.8961659496530276
Energy: 0.8926833390823726
Energy: 0.8999223314355019
Energy: 0.9102854299866421
Energy: 0.9067326485593991
Energy: 0.897159750558011
Energy: 0.8938172675825127
Energy: 0.9007573526147755
Energy: 0.8934535215918612
Energy: 0.9383441369822341
Energy: 0.8973534614522506
Energy: 0.8954206043335248
Energy: 0.8985106806791402
Energy: 0.9527003778958877
Energy: 0.9274653304624462
Energy: 0.9077537623355126
Energy: 0.895676793787261
Energy: 0.9001441575739226
Energy: 1.0078611563372037
Energy: 0.9430178977289111
Energy: 0.8999761530902098
Energy: 0.8703321998455771
Energy: 0.9524557036826371
Energy: 1.0055632816008153
Energy: 0.9535498590677774
Energy: 0.9072000152990739
Energy: 0.8714719201511336
Energy: 0.9518834980315639
Energy: 0.8950315748474662
Energy: 0.969420144056745
Energy: 0.9828277415709593
Energy: 0.8826561536246503
Energy: 0.8834471774259784
Energy: 0.8958416746599585
Energy: 0.892548393749477
Energy: 0.9824169597480967
Energy: 0.8831993641294412
Energy: 0.9332071522885624
Energy: 0.9183272220262619
Energy: 0.9521955635765912
Energy: 0.8708004115297404
Energy: 0.942744191359978
Energy: 0.9155730063647382
Energy: 0.9187999813518198
Energy: 0.94416498175676
Energy: 0.8566508951574993
Energy: 0.9460994085527241
Energy: 0.9144206531401597
Energy: 0.8952767544761188
Energy: 0.9227148072055783
Energy: 0.9966050237054588
Energy: 0.9590809293532898
Energy: 0.938161739248329
Energy: 0.8920229434137396
Energy: 0.9238829602097041
Energy: 0.9936389773554158
Energy: 0.95681714943698
Energy: 0.9347984411078278
Energy: 0.9936057666952597
Energy: 1.0034556684400087
Energy: 0.9390777419630624
Energy: 0.9281887014068376
Energy: 0.9369099289935746
Energy: 0.988602953038885
Energy: 0.9956434792087921
Energy: 0.9293108750930005
Energy: 0.9296952525471962
Energy: 0.8729816613610136
Energy: 0.9187765154240386
Energy: 0.9336481748752509
Energy: 0.8753946291297281
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Energy: 0.9675108317461527
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Energy: 1.0634076249052975
Energy: 0.9111594977344541
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Energy: 0.8850243708042577
Energy: 1.0486537450787776
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Energy: 0.8930220832745338
Energy: 0.8959266224850426
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Energy: 1.0208151109713715
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Energy: 0.8841280258090494
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Energy: 0.9015584805723412
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Energy: 0.902462087721539
Energy: 1.052517264062698
Energy: 0.9104187924837455
Energy: 0.8859109448516467
Energy: 0.8896647477198083
Energy: 0.8948636318499807
Energy: 1.0555866060239865
Energy: 0.9117990460201479
Energy: 0.8929669565217392
Energy: 0.8966321794300253
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Energy: 0.8816320008076205
Energy: 0.8891323841728969
Energy: 0.8870802863420905
Energy: 0.8878527930767525
Energy: 0.8896912575095818
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Energy: 0.8953550492836502
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Energy: 0.9022100069969651
Energy: 0.9954165230503316
Energy: 0.9990742732642311
Energy: 0.9537099350160688
Energy: 0.8945104495805185
Energy: 0.8905569697749682
Energy: 0.995035031964981
Energy: 0.935268752584549
Energy: 0.8928592542516474
Energy: 0.8954231057658065
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Energy: 0.937666946980909
Energy: 0.9079810649002759
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Energy: 0.9423202326841444
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Energy: 0.9017912889324193
Energy: 0.9080491600112152
Energy: 0.9527024910358635
Energy: 0.9487533203793428
Energy: 0.940998085875776
Energy: 0.9482425923614035
Energy: 0.9665464507371262
Energy: 0.8997337439363959
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Energy: 0.9481299679111269
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Energy: 0.9373499476135861
Energy: 0.9261228449970959
Energy: 1.0053572772775716
Energy: 0.9206930791839595
Energy: 0.9904886421212743
Energy: 0.9572620937346001
Energy: 0.9754095998757406
Energy: 0.9979013204045698
Energy: 0.9144272073041197
Energy: 0.9912058473635382
Energy: 0.9638299735102878
Energy: 0.9851528492610411
Energy: 1.0088299509805527
Energy: 1.0272522462717233
Energy: 0.9507602550542541
Energy: 1.0197306260461867
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Energy: 0.9593688901754498
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Energy: 0.9693342114573436
Energy: 1.017700448763768
Energy: 0.993659107801751
Energy: 0.9559834623621221
Energy: 1.0248656526591944
Energy: 0.8882593387871744
Energy: 0.8863163662584631
Energy: 0.9872652410955692
Energy: 1.057712003387929
Energy: 1.037586644167608
Energy: 0.8846165706781389
Energy: 0.8862951453716907
Energy: 0.9801789383803848
Energy: 1.1092287348400214
Energy: 0.8869621240613406
Energy: 0.8903072308466468
Energy: 0.8877040210607573
Energy: 0.8846191702287455
Energy: 0.9582376213648667
Energy: 0.8865765917159799
Energy: 0.885624497339987
Energy: 0.887794038628686
Energy: 0.9178475247345437
Energy: 0.9563027144757664
Energy: 0.8913017425732809
Energy: 0.8839957383164642
Energy: 0.8856049887283266
Energy: 0.9050189444639164
Energy: 0.9863985817845335
Energy: 0.8903002905773378
Energy: 0.8828096327930434
Energy: 0.8857711893039223
Energy: 0.9165917359076765
Energy: 0.9832744086437165
Energy: 0.9030647208059311
Energy: 0.9298217685767934
Energy: 0.9412599193331134
Energy: 0.9729610675821886
Energy: 0.8943367827630042
Energy: 0.912534878122823
Energy: 0.9093395582712696
Energy: 0.9407250574996608
Energy: 0.9699929109451251
Energy: 0.8952571790590467
Energy: 0.9402489422832492
Energy: 0.9129621190100569
Energy: 0.9195909564677058
Energy: 0.893483878346874
Energy: 0.9012115834136805
Energy: 0.936517651732323
Energy: 0.9171504084800428
Energy: 0.9190609649879997
Energy: 0.8950589113115708
Energy: 0.9007652876188943
Energy: 0.8954729388095098
Energy: 0.9354020067409707
Energy: 0.90648533912874
Energy: 0.8960865772021143
Energy: 0.8991054148675861
Energy: 0.9612972316704013
Energy: 0.9372185583604684
Energy: 0.9050862561373069
Energy: 0.8954192051020105
Energy: 0.899948734233736
Energy: 1.0073658685821862
Energy: 0.9517000806939289
Energy: 0.908034972453971
Energy: 0.8694736068721188
Energy: 0.9665213446579785
Energy: 1.0064004285677495
Energy: 0.9547230520547292
Energy: 0.9070105108813333
Energy: 0.8689303244496253
Energy: 0.9658473286622471
Energy: 0.9499517218103645
Energy: 0.9076297563058984
Energy: 0.8564585088985825
Energy: 0.899795459759228
Energy: 0.9526120050313389
Energy: 0.9516244798042865
Energy: 0.8991071591099278
Energy: 0.8575802354050579
Energy: 0.902330357267108
Energy: 0.9512335099697274
Energy: 0.9175600332801142
Energy: 0.9530094371324037
Energy: 0.9486344335513045
Energy: 0.9052820968319499
Energy: 0.885284555262569
Energy: 0.9229929878080019
Energy: 0.9582600809238421
Energy: 0.8815707553902249
Energy: 0.8952759286647977
Energy: 0.8835433713577333
Energy: 0.925484845695903
Energy: 0.9263388781392607
Energy: 0.9956160127747357
Energy: 0.9582317855507201
Energy: 0.9392651516537783
Energy: 0.9242351909418406
Energy: 0.9249682222735613
Energy: 0.9925248020375744
Energy: 0.9542022367966928
Energy: 0.9483916912037315
Energy: 1.0004354814698575
Energy: 1.00281105114291
Energy: 1.0003727790030115
Energy: 0.9870250162475436
Energy: 0.9259133548771133
Energy: 0.9909238012887539
Energy: 1.0019758069071247
Energy: 1.0017741784018115
Energy: 0.9823993289990578
Energy: 0.872120857437321
Energy: 0.9140947788970948
Energy: 0.9650379587823233
Energy: 0.8713066253287708
Energy: 0.9081752609484074
Energy: 0.9684296153420379
Energy: 0.9220327396859375
Energy: 0.9605754577456934
Energy: 0.8709474166128256
Energy: 1.043973721757589
Energy: 1.2265213833279185
Energy: 0.9130251558572476
Energy: 1.0191172153483923
Energy: 1.051390166226626
Energy: 0.9473831557109934
Energy: 0.8964021505873304
Energy: 0.9606008593692801
Energy: 1.0554843039153199
Energy: 1.0507068712935033
Energy: 0.9442994453092408
Energy: 0.8941516923920315
Energy: 0.8891775061949074
Energy: 0.8855301520536069
Energy: 0.8915153800042546
Energy: 0.8885434773260487
Energy: 0.8835667079226305
Energy: 0.8900193276540168
Energy: 0.88415063480506
Energy: 0.8917848867970378
Energy: 0.8890101157335272
Energy: 0.8873660671289463
Energy: 0.9027080506058133
Energy: 0.9697871172557618
Energy: 0.8936716749254557
Energy: 0.8891261874569893
Energy: 0.8825543823117313
Energy: 0.871014071847411
Energy: 0.9724509764894425
Energy: 0.8920984874509369
Energy: 0.8891900393464784
Energy: 0.8832499837980226
Energy: 0.9035451621085849
Energy: 0.8824456946682709
Energy: 0.8959049271337587
Energy: 0.9057884741599614
Energy: 0.9156990989708004
Energy: 0.9355024181617225
Energy: 0.8810119579401722
Energy: 0.8886770917870449
Energy: 0.9061070332353262
Energy: 0.9535410714590775
Energy: 0.8860220392351892
Energy: 0.8897504334534726
Energy: 0.8956396989942275
Energy: 1.0507774084772157
Energy: 0.9181680414302894
Energy: 0.8949229570150806
Energy: 0.8997055990688383
Energy: 0.9034428214831056
Energy: 1.0538602488004232
Energy: 0.9182414686075212
Energy: 0.8858560406066693
Energy: 0.8890369977523983
Energy: 0.8894338813053966
Energy: 0.9708261172917043
Energy: 0.8928334856911199
Energy: 0.8913342259775573
Energy: 0.8990222314930517
Energy: 0.9002393561646829
Energy: 0.906510978555756
Energy: 0.8891506142086394
Energy: 0.8950121681816409
Energy: 0.8755685746778592
Energy: 0.9977791368599545
Energy: 1.0002049977216796
Energy: 0.8949185381402345
Energy: 0.8929537761825678
Energy: 0.9012571681447802
Energy: 0.997031510626009
Energy: 0.9376802981057729
Energy: 0.9413549919419272
Energy: 0.9401481102841304
Energy: 0.9785838351280339
Energy: 0.9420452771791394
Energy: 0.9011482869618095
Energy: 0.8555464567066173
Energy: 0.8959829528933342
Energy: 0.9673641617368633
Energy: 0.9783386111489156
Energy: 0.931948672403731
Energy: 0.922242542465703

minimum gb energy = 0.8555464567066173 eV
minimum distance =  2.50907070196881 Angstroms
sigma value = 437


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

Energy: 1.1541154231565696
Energy: 0.9319945864954893
Energy: 0.9527030094372859
Energy: 0.9413260102595045
Energy: 0.8838755020658474
Energy: 0.8857283492244369
Energy: 0.9020471900383971
Energy: 0.9492989060581227
Energy: 0.9718500030620351
Energy: 0.9711529931602524
Energy: 0.8845502510361921
Energy: 0.8876929277564453
Energy: 0.845449890316513
Energy: 0.9657945144572092
Energy: 0.8399742801226227
Energy: 0.8853560748686904
Energy: 0.9177559602324622
Energy: 0.8460700233630644
Energy: 0.9326896560714975
Energy: 0.8410400757326347
Energy: 0.8912147545056273
Energy: 0.8952050891971293
Energy: 0.9316461144820203
Energy: 0.8379703580851173
Energy: 0.9004791784943059
Energy: 0.8893919488926741
Energy: 0.8945640776210626
Energy: 0.932702621952011
Energy: 0.8368717068012747
Energy: 0.9111303798767572
Energy: 0.836817694913042
Energy: 0.837416005735999
Energy: 0.9313420892138622
Energy: 0.8704358364671773
Energy: 0.9077285187242657
Energy: 0.8370371439384785
Energy: 0.8338519559002457
Energy: 0.9357074584993695
Energy: 0.860018431860188
Energy: 0.906887187967717
Energy: 0.8615412436158165
Energy: 0.9317477652293206
Energy: 0.8759372399774168
Energy: 0.8382907109807082
Energy: 0.8933023379595298
Energy: 0.8681831737913299
Energy: 0.932999088452386
Energy: 0.8298121389955604
Energy: 0.8391425795371392
Energy: 0.8884123618941642
Energy: 0.8336646689001858
Energy: 0.838418384707415
Energy: 0.834340181372825
Energy: 0.8742455092527237
Energy: 0.8844345957468457
Energy: 0.8331856214868142
Energy: 0.8386413328387071
Energy: 0.9052062149518725
Energy: 0.8766454379885628
Energy: 1.1017211741270303
Energy: 0.8906621707984842
Energy: 0.8878244123062518
Energy: 0.8941815633742822
Energy: 0.8406399032816126
Energy: 0.9165568145640614
Energy: 0.8895781273481554
Energy: 0.8893003438985432
Energy: 0.8932445725790563
Energy: 0.8359552608949965
Energy: 0.8901743607584035
Energy: 0.8937756181326004
Energy: 0.9034172573278544
Energy: 0.8389915345997985
Energy: 0.8857651544327715
Energy: 0.9242638763923121
Energy: 0.8926314626914756
Energy: 0.9040382086810165
Energy: 0.8377362889272357
Energy: 0.8869575431775103
Energy: 0.9228490599434284
Energy: 0.832192654025599
Energy: 0.9326185917969441
Energy: 0.8869629886005368
Energy: 0.9333481241154797
Energy: 0.8823911907896511
Energy: 0.8327854731283341
Energy: 0.932252450425826
Energy: 0.8863566310879002
Energy: 0.9358307618813274
Energy: 0.8817458363394188
Energy: 0.9566771890193383
Energy: 0.8725505186239743
Energy: 0.8332524032340395
Energy: 0.8716270819689079
Energy: 0.8958870413003774
Energy: 0.9115647904121449
Energy: 0.8730860671981683
Energy: 0.832921846426907
Energy: 0.8735051355779148
Energy: 0.8891746835659695
Energy: 0.8307492330630659
Energy: 0.8344233589222864
Energy: 0.8438800821314765
Energy: 0.8862399221921019
Energy: 0.8248855851337441
Energy: 0.8315714975338105
Energy: 0.8351878051544817
Energy: 0.8448671341931995
Energy: 0.8863041654013059
Energy: 0.8321392508102761
Energy: 0.8312312539117466
Energy: 0.8299729572720609
Energy: 0.8382034799838425
Energy: 0.9439424891459792
Energy: 0.8512527036682598
Energy: 0.83178735014369
Energy: 0.8310120140025913
Energy: 0.835623871959268
Energy: 0.8788489458909211
Energy: 0.847867503160195
Energy: 0.8309893449574263
Energy: 0.8314179007044719
Energy: 1.0420451785257296
Energy: 0.8689574622937403
Energy: 0.8339687756977201
Energy: 0.8314084623025592
Energy: 0.8340327315313655
Energy: 0.9228243343379188
Energy: 0.9216139675434147
Energy: 0.8327323091701224
Energy: 0.9759946711531069
Energy: 0.8349623399833985
Energy: 0.8889838257902073
Energy: 0.8820848169140881
Energy: 0.8256333652978121
Energy: 0.9736158238051501
Energy: 0.8323169380744836
Energy: 0.9655628859943133
Energy: 0.8810855925808829
Energy: 0.8303624125646173

minimum gb energy = 0.8248855851337441 eV
minimum distance =  2.56613904739013 Angstroms
sigma value = 33