Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61105090379715
cohesive_energy=4.158489038127336
mass=55.845
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=[1.96982810620398e-19, 2.73103824678372e-19, 3.31278858258912e-19, 3.7876256716077e-19, 4.1875610029867796e-19, 4.531275956278799e-19, 4.8332862517878e-19, 5.09801389702362e-19, 5.331066510205259e-19, 5.536802011777199e-19, 5.71855292913816e-19, 5.87872252723914e-19, 6.01944170100336e-19, 6.14245682296188e-19, 6.250363419261779e-19, 6.343738273491299e-19, 6.423270321603059e-19, 6.4899208695774605e-19, 6.544491005731499e-19, 6.587717731316819e-19, 6.620978918238659e-19, 6.64413037059996e-19, 6.657684784923599e-19, 6.662106792433439e-19, 6.65734832783046e-19, 6.6419033450787e-19, 6.614249776375859e-19, 6.5720324220699595e-19, 6.512159081257379e-19, 6.4312972265394e-19, 6.325393351031999e-19, 6.1899453383936395e-19, 6.0190571786112e-19, 5.80486218441174e-19, 5.538179883682439e-19, 5.209749695478779e-19, 4.80446309414214e-19, 4.3029337424011196e-19, 3.6815615784368996e-19, 2.9096328761756996e-19, 1.9480064604489e-19, 7.435653693094979e-20, -7.779961451741579e-20, -2.71786835485224e-19, -5.21526118309974e-19, -8.47769335408224e-19, -1.28073994680375e-18, -1.86748106282406e-18, -2.6827806865676394e-18, -3.85257791235006e-18, -5.6004564894460195e-18, -8.35557545103876e-18, -1.30373919238482e-17, -2.19099256876134e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.0196848284999511
Energy: 0.020163458390454844
Energy: 0.6106102631308562
Energy: 1.6069172478428753
Energy: 1.5987106111832223
Energy: 0.5594210223773721
Energy: 0.020175216543301008
Energy: 0.020312048245079227
Energy: 1.1522384297472343
Energy: 0.12739623244667203
Energy: 0.3098451370614508
Energy: 1.1436863177002945
Energy: 0.022313373870013666
Energy: 0.12958953090658515
Energy: 0.020335590198981533
Energy: 1.153440332863632
Energy: 0.31049715591884924
Energy: 0.3089607281093888
Energy: 1.1455675149860731
Energy: 0.12696307670890433
Energy: 0.12955919881244457
Energy: 0.02352678027717379
Energy: 1.1592411149091586
Energy: 0.3092295484731555
Energy: 1.145652054759142
Energy: 1.1528352049225885
Energy: 0.12763383735897374
Energy: 0.02151294033816045
Energy: 0.1277943648186306
Energy: 1.1517029391170284
Energy: 0.12793760495843273
Energy: 0.3102591059358057
Energy: 1.1438779226178506
Energy: 0.02140558758454665
Energy: 0.1302351103570396
Energy: 0.020161585748383806
Energy: 1.1496942331707236
Energy: 0.30902864381048883
Energy: 0.3090376930653005
Energy: 1.1484577794606596
Energy: 0.1266444187029262
Energy: 0.12931975371675877

minimum gb energy = 0.0196848284999511 eV
minimum distance =  2.52769534139872 Angstroms
sigma value = 5


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

Energy: 1.8715439872788835
Energy: 1.889959431080363
Energy: 2.012185458916184
Energy: 1.8812069640527636
Energy: 1.9280572904106117
Energy: 1.9778381665291334
Energy: 1.8870105635820769
Energy: 1.8166523951127105
Energy: 1.9760479292587063
Energy: 1.864951246162662
Energy: 2.053844709720451
Energy: 1.8966000363885567
Energy: 1.8806599373581407
Energy: 1.9753996391697397
Energy: 1.8421245409942126
Energy: 1.9704322615019898
Energy: 1.9348965157979632
Energy: 1.9392237262326943
Energy: 1.9199224411195068
Energy: 1.9732662126632508
Energy: 1.924324940191277
Energy: 1.8446844841030512
Energy: 2.039795495061635
Energy: 1.863216498406835
Energy: 1.91272307818379
Energy: 1.8711169411873134
Energy: 1.8459923985051478
Energy: 1.9404268190621852
Energy: 1.8520898993375752
Energy: 1.8905208861677159
Energy: 1.8688908838039429
Energy: 1.887151581014267
Energy: 1.981514678801252
Energy: 1.8784596975090484
Energy: 1.8923175552340301
Energy: 1.9552043572694655
Energy: 1.9670528262020543
Energy: 1.846680832753162
Energy: 1.9429519799766792
Energy: 1.9186267202293332
Energy: 2.011584378295726
Energy: 2.0780492375018698
Energy: 1.857579376157846
Energy: 1.96003079176795
Energy: 1.8815385109183835
Energy: 1.8391478355170499
Energy: 1.8553061063084042
Energy: 1.9554446999630224
Energy: 1.9188477423191885
Energy: 1.9233240772736175
Energy: 1.8836286177427268
Energy: 1.9464857233768127
Energy: 1.9732952378841973
Energy: 1.915444061235857
Energy: 1.9318840495521468
Energy: 1.9834531040362746
Energy: 1.8879071596641028
Energy: 1.9323217718510668
Energy: 1.8622491357019466
Energy: 1.86271140956619
Energy: 2.1041660908423374
Energy: 1.8998287577157313
Energy: 1.9750980743766653
Energy: 1.8608251881892675
Energy: 1.8707812197839357
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Energy: 1.9518650438083833
Energy: 1.901475528233552
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Energy: 1.9594457250714634
Energy: 1.8860823699733134
Energy: 1.899042373203307
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Energy: 1.9318813295667376
Energy: 1.8465367679563307
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Energy: 1.815530322500212
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Energy: 1.8107450878614715
Energy: 2.0558236562603502
Energy: 2.083891811989825
Energy: 1.854611621795706
Energy: 1.8751907857000094
Energy: 1.8550631347342679
Energy: 1.955830081946717
Energy: 1.8742129123623592
Energy: 1.983311030338175
Energy: 2.0171960104543216
Energy: 1.8841479416595461
Energy: 1.917769859001191
Energy: 1.969914410190778
Energy: 1.904830980626172
Energy: 1.887368197794384
Energy: 2.0175763107107527
Energy: 1.9384913848555063
Energy: 1.867869157578099
Energy: 1.902183201066091
Energy: 1.8611090822191858
Energy: 2.0310310406081533
Energy: 1.8569275172180657
Energy: 1.9731973040000914
Energy: 1.9775520163081957
Energy: 1.9111239126434543
Energy: 1.840533558712411
Energy: 1.8823663366670862
Energy: 1.865153053779523
Energy: 1.874902074451844
Energy: 1.9324040118483525
Energy: 2.032442887323377
Energy: 1.8981236075063037
Energy: 1.8559707283738658
Energy: 1.95563413290635
Energy: 1.852547548252803
Energy: 1.8665007602188677
Energy: 1.912484721784517
Energy: 1.9579987573764097
Energy: 1.9305681622753141
Energy: 1.9133096820958808
Energy: 1.835586506342405
Energy: 1.8657304270473816
Energy: 1.834914950890587
Energy: 1.8636171243966373
Energy: 1.852093079739083
Energy: 1.9196129377858822
Energy: 1.897896804679978
Energy: 1.8637321993209808
Energy: 2.0418779623192744
Energy: 1.823518071287519
Energy: 1.9617389415699138
Energy: 1.9909011612538943
Energy: 1.8565765806153727
Energy: 2.009440644482052
Energy: 1.8686920762728207
Energy: 1.843456028744475
Energy: 1.9243291510735407
Energy: 1.9991584626524446
Energy: 2.0342971362028077
Energy: 1.9593471891032057
Energy: 1.8376219200400419
Energy: 1.8583885898316073
Energy: 2.062184653382402
Energy: 1.8580563057636976
Energy: 1.8325185782336653
Energy: 1.8503735983667422
Energy: 1.8568015418921182
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Energy: 1.8312888655802912
Energy: 1.9596161050607415
Energy: 1.92276548453993
Energy: 1.952859537882024
Energy: 1.9392653640069804
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Energy: 1.9587065834241526
Energy: 1.8988482664577033
Energy: 2.0035518683237585
Energy: 1.8635054966674687
Energy: 1.9121753195275675
Energy: 1.903760996393569
Energy: 1.8155202725175255
Energy: 2.026146597449996
Energy: 1.867177344319275
Energy: 1.8684701995685087
Energy: 1.8851130021163436
Energy: 1.8997847416432188
Energy: 2.0447263035764034
Energy: 1.9711341417132056
Energy: 1.9215027257107982
Energy: 1.819078248393779
Energy: 1.9627461421814039
Energy: 1.8579993621065158
Energy: 2.0491471628556703
Energy: 1.9225749877916418
Energy: 1.8441578241298464
Energy: 1.9460487496683203
Energy: 1.8529523847449774
Energy: 1.9736339413351047
Energy: 1.9622407104691437
Energy: 1.9393684721331177
Energy: 1.9381261231016895
Energy: 2.0328111986204775
Energy: 1.967659163703275
Energy: 1.8405647307517643
Energy: 1.9623320514451745
Energy: 1.8718135290345956
Energy: 1.937092223121179
Energy: 1.8899939618418327
Energy: 1.8960533333561715
Energy: 1.9163430055974617
Energy: 1.9340020706756522
Energy: 1.950783913575907
Energy: 1.8694566324014223
Energy: 1.8853661512236053
Energy: 1.8481271162727106
Energy: 1.8754808851563194
Energy: 1.9384801440511985
Energy: 1.9354357723653959
Energy: 1.964628414181609
Energy: 1.87004552500859
Energy: 1.9414646312349741
Energy: 1.849319346483857
Energy: 1.8766985164018637
Energy: 1.886602221344007
Energy: 1.8480700028592802
Energy: 1.9053790758063038
Energy: 1.8950480956752922
Energy: 1.910986502471804
Energy: 1.9125154878156239
Energy: 1.9496583913161545
Energy: 1.9184767970503571
Energy: 1.8349220535786142
Energy: 1.966813291174173
Energy: 1.846078368605554
Energy: 1.9360306414343629
Energy: 1.897836535004215
Energy: 1.9677858617416977
Energy: 1.9125292262295657
Energy: 1.8755826991347906
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Energy: 1.8615728456385654
Energy: 1.9040343703580636
Energy: 1.9563776877798897
Energy: 1.8977221475132788
Energy: 1.9771886513925976
Energy: 1.8606765799676108
Energy: 1.9489271149960785
Energy: 1.9236931882268793
Energy: 1.8782796570441367
Energy: 1.980773695054197
Energy: 2.038076185182649
Energy: 1.9074528899878045
Energy: 1.8824423294772181
Energy: 1.8933825984197346
Energy: 1.860421365299829
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Energy: 1.8983495467994471
Energy: 1.8448947462889111
Energy: 1.9927094423633958
Energy: 1.8785482735236436
Energy: 1.9316909204237631
Energy: 1.9758737943090936
Energy: 1.9997301138457466
Energy: 1.8353997125552048
Energy: 1.9750091418205082
Energy: 1.879001526694947
Energy: 1.8563665065463448
Energy: 1.841283553912812
Energy: 1.8647695023885504
Energy: 1.954721232848075
Energy: 1.9123245700815896
Energy: 1.8651467673472801
Energy: 1.9679824079184716
Energy: 1.8499026743536962
Energy: 1.855888737869584
Energy: 1.956286495087315
Energy: 2.0085971904578126
Energy: 1.8781854923653336
Energy: 1.8895143290172336
Energy: 1.8272958113736084
Energy: 1.879854015588763
Energy: 2.028429966944774
Energy: 1.8566231617758837
Energy: 1.9778307200600562
Energy: 1.980580591127919
Energy: 1.9145651586784382
Energy: 2.00249141490721
Energy: 1.879634651496665
Energy: 1.8619756027531313
Energy: 1.8717103424644856
Energy: 1.871009810019129
Energy: 1.9487451418396935
Energy: 1.8904456124968059
Energy: 1.8727456752278724
Energy: 1.9529626967305096
Energy: 1.8238028894231986
Energy: 1.9525961700439132
Energy: 1.8810584609081353
Energy: 1.954018023456865
Energy: 1.9357495671684504
Energy: 1.8507860325074612
Energy: 1.8346135176295228
Energy: 1.8897892553784883
Energy: 1.8363523132999946
Energy: 1.9441990210932165
Energy: 1.9134119386339945
Energy: 1.9195291077539898
Energy: 1.9985759652052733
Energy: 1.862526148151409
Energy: 1.9068542971774132
Energy: 1.820870543626317
Energy: 1.957776104440304
Energy: 1.9601857482212206
Energy: 1.860505858539675
Energy: 1.8676835872287176
Energy: 1.8678035267109063
Energy: 1.8466360696534885
Energy: 1.924499975557595
Energy: 1.8935563795603256
Energy: 1.9773726982702267
Energy: 1.9302919960098814
Energy: 1.8354169786839925
Energy: 1.8557805886357068
Energy: 2.0312941354453433
Energy: 1.824755167201217
Energy: 1.9581935917797249
Energy: 1.858590000086902
Energy: 1.845808686829161
Energy: 1.9141170245026078
Energy: 1.8154983372151767
Energy: 1.9624065877188324
Energy: 1.9097134503681596
Energy: 1.9994752297867857
Energy: 2.1189581351571336
Energy: 1.8497952314335977
Energy: 1.9503208012106497
Energy: 1.9003893856481837
Energy: 1.8781410175165698
Energy: 1.8758003748435208
Energy: 1.8841271501652164
Energy: 1.9363492837248992
Energy: 1.8168740185507866
Energy: 1.9307155577790784
Energy: 1.868173515345897
Energy: 1.890028421585293
Energy: 1.8260095308735176
Energy: 1.8785382036917928
Energy: 2.074267495112881
Energy: 1.9799255236709017
Energy: 1.9203833765291045

minimum gb energy = 1.8107450878614715 eV
minimum distance =  2.26690580264574 Angstroms
sigma value = 401


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

Energy: 2.10457140107909
Energy: 1.8812184934907645
Energy: 1.9108990341187626
Energy: 1.9242544138902753
Energy: 1.999997371546112
Energy: 1.9471187775969054
Energy: 1.8969934067269665
Energy: 1.8518343172889242
Energy: 1.8817424399060596
Energy: 1.948979241230412
Energy: 2.024789232281709
Energy: 1.8307864541997307
Energy: 1.9078950363154854
Energy: 1.9736735757875767
Energy: 1.8738263495803757
Energy: 1.908256759277193
Energy: 1.8979648855654432
Energy: 1.8938762658357813
Energy: 1.8588378994807635
Energy: 1.9160144981920104
Energy: 1.9752753795034952
Energy: 2.0904139093794947
Energy: 2.062135773640142
Energy: 1.9247029665125146
Energy: 1.9911979948568808
Energy: 1.864636780287143
Energy: 1.9132110509086147
Energy: 2.0003774992490495
Energy: 1.9951400452799992
Energy: 1.9029123154831038
Energy: 1.8640796117846068
Energy: 1.889346655722505
Energy: 1.8272346935650299
Energy: 1.997397435499611
Energy: 2.0111094524477733
Energy: 1.9659787406564557
Energy: 1.9202464988606043
Energy: 1.8954345202736058
Energy: 1.8883852490472122
Energy: 1.8634688440836147
Energy: 1.927142406947983
Energy: 2.163445544519285
Energy: 1.9002465996367606
Energy: 1.9170790645270184
Energy: 1.897132043649245
Energy: 1.8917635210072066
Energy: 1.8200698529374135
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Energy: 1.977067609859979
Energy: 1.9067072219648138
Energy: 1.9512113300713996
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Energy: 1.8914499523432802
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Energy: 1.854357162136467
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Energy: 1.8870749359974879
Energy: 1.8407256592710457
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Energy: 2.1407576527303736
Energy: 2.0213491328499082
Energy: 1.8812155414763
Energy: 1.8898652612278333
Energy: 1.8403828524604202
Energy: 1.8291702559172398
Energy: 1.9063278957423486
Energy: 2.1478095551631293
Energy: 1.9697076486564957
Energy: 1.9165651678980258
Energy: 1.925200875417675
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Energy: 1.8103548991364478
Energy: 2.004452152860104
Energy: 2.0044201005840785
Energy: 1.8601945774386293
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Energy: 1.8892444829302901
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Energy: 1.8592722389848648
Energy: 1.9382482043522078
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Energy: 1.874789783091874
Energy: 1.9358823534733234
Energy: 1.9087843131450233
Energy: 1.844328075488867
Energy: 1.8711150888463195
Energy: 1.9307785080962485
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Energy: 1.8490398575054616
Energy: 1.8555731999849996
Energy: 1.8738481699874905
Energy: 1.9051044496341878
Energy: 1.9001339646280289
Energy: 1.8606774292277246
Energy: 1.8593948768463229
Energy: 1.8482559962716028
Energy: 1.9116286139003154
Energy: 1.9199239551795346
Energy: 1.908614222174239
Energy: 1.9065996135229224
Energy: 1.8991660177328746
Energy: 1.9106726955236812
Energy: 1.8466000564333476
Energy: 1.9098200797375782
Energy: 1.9108814457374188
Energy: 1.8961132285800293
Energy: 1.9178746073289146
Energy: 1.8990920679257541
Energy: 1.9078747220477914
Energy: 1.8515027395428674
Energy: 1.9385215704558512
Energy: 1.9306314002839975
Energy: 1.9047876520387708
Energy: 1.9826243370531567
Energy: 1.8876233791831512
Energy: 1.8924210335284029
Energy: 1.9084314591469154
Energy: 1.9343091872052443
Energy: 1.9241779678605113
Energy: 1.8450606597934163
Energy: 1.8802750461260627
Energy: 1.9625715620410034
Energy: 1.961976735960247
Energy: 2.032300714636261
Energy: 1.9830670575217089
Energy: 1.8881117413518314
Energy: 1.8595500944228591
Energy: 1.8179278426714265
Energy: 1.9312863535010236
Energy: 2.133802108810168
Energy: 2.066920733317067
Energy: 1.940429820924652
Energy: 1.9053102207334298
Energy: 1.8504256359604256
Energy: 1.8272954477496084
Energy: 1.9133329679252786
Energy: 1.947614563068422
Energy: 1.9413142541947723
Energy: 2.0328231508680785
Energy: 1.9142620085654234
Energy: 1.8612541785837606
Energy: 1.8131827799825337
Energy: 1.9126610820312004
Energy: 1.966211187755328
Energy: 2.0133403392451634
Energy: 2.0544795575554775
Energy: 1.9175157700389978
Energy: 1.8658964897004187
Energy: 1.8173398583616265
Energy: 2.0152381771102537
Energy: 1.9388154457514917
Energy: 1.8702846372528303
Energy: 1.9286903390585528
Energy: 1.985310125448436
Energy: 1.9450178393124338
Energy: 1.8586038028267255
Energy: 1.9693728216449724
Energy: 1.944306745175593
Energy: 1.9092725329970062
Energy: 1.938970490771117
Energy: 1.8745662990699834
Energy: 1.9044057085847865
Energy: 1.918524310253937
Energy: 1.8794716448047157
Energy: 1.868412778838364
Energy: 1.8623438543629542
Energy: 1.9001267681546674
Energy: 1.988262160974934
Energy: 1.9519523053990453
Energy: 1.9425357309052242
Energy: 1.9399742824633175
Energy: 1.9268542560905644
Energy: 1.86115593855928
Energy: 1.9222551358293314
Energy: 1.9780227331348845
Energy: 1.8788006804119053
Energy: 1.9073357150412569
Energy: 1.9094484282944624
Energy: 1.9270318048500839
Energy: 1.8863616358194015
Energy: 1.9431645453528952
Energy: 1.9126623938638527
Energy: 1.928915232244667
Energy: 1.9872782700789895
Energy: 1.914208653611031
Energy: 1.9746515068892794
Energy: 1.9089985782646115
Energy: 1.935708009949264
Energy: 1.8772786175496545
Energy: 1.9095253606268479
Energy: 1.8765912887729859
Energy: 1.8844358603252924
Energy: 2.005005698198434
Energy: 1.8491832867872087
Energy: 1.9126222152625951
Energy: 1.8920497739754072
Energy: 1.9149806242247303
Energy: 1.863472333005257
Energy: 1.9183979361135404
Energy: 2.2474801732689995
Energy: 1.9904856720989845
Energy: 1.9566283414925145
Energy: 1.9187416921205398
Energy: 1.917174543142834
Energy: 1.8226718044924948
Energy: 2.004535603670718
Energy: 1.9568133063685422
Energy: 1.8271230011490822
Energy: 2.0406641513732247
Energy: 1.8962768314894993
Energy: 1.9112309901827813
Energy: 1.8184903505627736
Energy: 1.9070326669092044
Energy: 1.9888109547178467
Energy: 1.9230592942564741
Energy: 1.9752961379400618
Energy: 1.8780780129617032
Energy: 1.9128023634981706
Energy: 1.819798285660915
Energy: 1.9918158648213729
Energy: 2.0196168899338978
Energy: 1.8706270245157457
Energy: 1.9198134429720453
Energy: 1.9640299955233353
Energy: 1.872224311471212
Energy: 1.8980708454253192
Energy: 1.9716992064005308
Energy: 1.9828617705767184
Energy: 1.8925401892210514
Energy: 1.905245376982694
Energy: 1.9187962845586617
Energy: 1.8578499078342068
Energy: 1.9239575111888227
Energy: 1.8977428223007369
Energy: 1.955420538150946
Energy: 1.875265274012137
Energy: 1.8809313703270247
Energy: 1.9036321739545505
Energy: 2.024101711947538
Energy: 1.8282081842740043
Energy: 1.875080510767378
Energy: 1.9329731951332179

minimum gb energy = 1.8103548991364478 eV
minimum distance =  2.27576830016146 Angstroms
sigma value = 311


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

Energy: 2.0017036000100763
Energy: 1.962899997051275
Energy: 1.9648248846790173
Energy: 1.9526908043833382
Energy: 1.9642898535769293
Energy: 2.00035319260847
Energy: 1.9796374311494562
Energy: 1.9031615531156572
Energy: 1.9127470727938607
Energy: 1.9562176955676343
Energy: 1.9587052134695122
Energy: 2.070159179442336
Energy: 1.9356184541912016
Energy: 1.89681585482965
Energy: 1.96431172355022
Energy: 1.9634023719735252
Energy: 1.931073543408929
Energy: 1.9676069910480996
Energy: 1.9226199559403307
Energy: 1.9406551259705878
Energy: 1.9292658000011724
Energy: 2.015818618122557
Energy: 2.063949786804458
Energy: 2.0153843879602658
Energy: 2.1440030202093534
Energy: 1.9813562789872758
Energy: 1.9922750635126332
Energy: 1.960328823795521
Energy: 1.9187844620542391
Energy: 2.03259359177245
Energy: 1.9302592457409253
Energy: 1.930492577778327
Energy: 1.9289511925254181
Energy: 1.91846097824222
Energy: 1.9156882719998878
Energy: 1.9102234784106111
Energy: 1.9361753123120258
Energy: 1.8914885142851892
Energy: 1.8826045392710642
Energy: 1.8836731336172454
Energy: 1.910840329069221
Energy: 1.935146993209967
Energy: 2.0048334377810972
Energy: 1.964888754787134
Energy: 1.964310843559178
Energy: 1.9525841908421138
Energy: 1.8910838959911895
Energy: 2.006364961809364
Energy: 1.9790814534668664
Energy: 1.954777863951217
Energy: 1.9115261914035282
Energy: 1.933457639187151
Energy: 1.9155583625393606
Energy: 2.019287847957083
Energy: 1.94219118901786
Energy: 1.9985671247699321
Energy: 2.004827116653548
Energy: 2.0244575114360845
Energy: 1.9230015889874188
Energy: 1.9555604227233578
Energy: 1.9221486617144348
Energy: 1.9403768696626484
Energy: 2.0133230269863107
Energy: 2.0153470367841706
Energy: 2.054857483951408
Energy: 2.002582343156242
Energy: 2.0370087414348084
Energy: 1.9240599925294293
Energy: 1.9929415222565892
Energy: 1.9124902473637375
Energy: 1.9499986973525598
Energy: 1.9497433522094736
Energy: 1.9286977081698131
Energy: 1.9209678415339762
Energy: 1.9303115221332194
Energy: 1.9185410801974199
Energy: 1.9651922441926015
Energy: 1.9119659907708504
Energy: 1.9361853523401518
Energy: 1.8915824199435725
Energy: 1.8828560125903644
Energy: 1.9170897334082386
Energy: 1.911526257637169
Energy: 1.935466135574144
Energy: 2.0050014281215853
Energy: 1.964926812813176
Energy: 2.0960913495319766
Energy: 1.9522258747208912
Energy: 1.927499058644353
Energy: 2.0060125611069117
Energy: 1.9744560547373577
Energy: 1.9548661305240276
Energy: 1.9110354682854744
Energy: 1.9330634340722173
Energy: 1.914247345689857
Energy: 2.0887194959047215
Energy: 1.9434700527792201
Energy: 2.0549809517589934
Energy: 2.006655706993746
Energy: 2.0160889060869978
Energy: 1.959545619768044
Energy: 1.94718804072414
Energy: 1.9227564696049182
Energy: 1.940831994540502
Energy: 2.014994768689591
Energy: 2.015554552455614
Energy: 1.9544232611214372
Energy: 2.003371810306723
Energy: 1.9244287719239337
Energy: 1.9120288429415804
Energy: 1.9143929746881283
Energy: 1.911878913061052
Energy: 1.954577765975652
Energy: 1.949848105615431
Energy: 1.9274082684276976
Energy: 1.9204179169357962
Energy: 1.9284760010075521
Energy: 1.9189188714025764
Energy: 1.9633151258064427
Energy: 1.908164382243537
Energy: 1.9357415062486931
Energy: 1.928899343084134
Energy: 1.8857065010907803
Energy: 1.917549588354918
Energy: 1.885554015660198
Energy: 1.9360789027801624
Energy: 2.004990607322498
Energy: 2.021737277124701
Energy: 1.9638786896344875
Energy: 1.9579537890753764
Energy: 1.9303248045130896
Energy: 2.006176342573935
Energy: 1.9822135355486612
Energy: 1.9550424985289945
Energy: 1.9594403675900358
Energy: 1.93476485563464
Energy: 1.9758400413893555
Energy: 2.083730665655753
Energy: 2.0010741127498433
Energy: 2.0637661334352364
Energy: 2.0072965015764423
Energy: 1.9486078175641588
Energy: 1.9596496869910316
Energy: 1.9503295004878975
Energy: 1.8997555405333628
Energy: 1.9696397601335205
Energy: 2.0148170943407635
Energy: 2.015685469814296
Energy: 1.935666464083387
Energy: 1.911875145680579
Energy: 1.885286779072523
Energy: 1.9275101283250735
Energy: 1.9143797978318746
Energy: 1.9499181394204628
Energy: 1.9237324846724142
Energy: 1.9557897485844205
Energy: 1.9239269515486748
Energy: 2.0248402398256036
Energy: 1.924769874133329
Energy: 1.9231869134061452
Energy: 1.9472404097220302
Energy: 1.9950569569782866
Energy: 2.0101630816238747
Energy: 1.9127341323601004
Energy: 1.8851498556704087
Energy: 1.926924798903787
Energy: 1.8865360269035314
Energy: 1.9358449771974562
Energy: 2.0042458544715704
Energy: 1.9513147743063397
Energy: 2.0973999929360887
Energy: 1.9583236715436991
Energy: 1.9275120350542718
Energy: 2.0064492432328156
Energy: 2.020614905774829
Energy: 1.9331121753128682
Energy: 1.9666193649036585
Energy: 1.9358566377941673
Energy: 1.9141154741640554
Energy: 2.0882371238981667
Energy: 1.9167949174055487
Energy: 2.0643572370399688
Energy: 2.0008101006250203
Energy: 1.9483037999247022
Energy: 1.9611578552901716
Energy: 1.947735004071522
Energy: 1.9222456697308052
Energy: 1.9432164815873934
Energy: 2.015140430366567
Energy: 1.9684012902109291
Energy: 1.9364080947292206
Energy: 1.9558178654320033
Energy: 1.884350302079333
Energy: 1.9111506099416626
Energy: 1.897961288449339
Energy: 1.9496153990723144
Energy: 1.924139311107257
Energy: 1.9529384422212241
Energy: 1.9229755982853316
Energy: 1.920093247315573
Energy: 1.9240620722245056
Energy: 1.9234814655673587
Energy: 1.9470407858209293
Energy: 1.9967810902017895
Energy: 1.9532143751848543
Energy: 2.0068092427894477
Energy: 1.923569077558523
Energy: 1.9296039791134103
Energy: 2.0005238441047766
Energy: 1.9576895122613736
Energy: 2.00345428047349
Energy: 1.952062945673685
Energy: 1.9181780539881272
Energy: 1.9591838778712292
Energy: 1.9207294285564234
Energy: 1.9286843969039884
Energy: 2.002058491953515
Energy: 1.9324151445125326
Energy: 1.964066290259934
Energy: 1.9335891402110863
Energy: 2.015788707237982
Energy: 2.089945332320933
Energy: 1.916352750316515
Energy: 2.0665566490230383
Energy: 2.026754543456626
Energy: 1.9474110024529108
Energy: 1.9228472917754134
Energy: 1.9464656752896943
Energy: 1.9126558600648416
Energy: 1.9390218097717105
Energy: 1.9437864115396584
Energy: 1.9682494092486376
Energy: 1.9360021329169925
Energy: 1.9488307885382616
Energy: 1.8833807523137311
Energy: 1.9510464804372072
Energy: 1.9695655686460527
Energy: 1.9516522255633832
Energy: 1.9612942142148384
Energy: 1.9649669779389953
Energy: 1.9221214218780376
Energy: 1.9189560766760094
Energy: 1.9243750290267267
Energy: 1.961375463926364
Energy: 1.9464320176351169
Energy: 1.9974957412227503
Energy: 1.967840413832637
Energy: 2.0069016006755773
Energy: 1.9240387475421594
Energy: 1.9291157915471948
Energy: 1.9989097773502122
Energy: 1.964910181359479

minimum gb energy = 1.8826045392710642 eV
minimum distance =  2.2749416947888 Angstroms
sigma value = 39


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

Energy: 1.8216060723268674
Energy: 1.7985021212317143
Energy: 2.6469388605057658
Energy: 2.2474210675899116
Energy: 1.901760049327219
Energy: 2.028671623105297
Energy: 1.798398532126302
Energy: 1.7967292426058736
Energy: 1.953096468802622
Energy: 1.8433278572385199
Energy: 1.9348801321014248
Energy: 1.9509066793233236
Energy: 1.9145049409468002
Energy: 1.913077354049268
Energy: 1.9130729383526222
Energy: 1.7558434295086751
Energy: 1.8431282479797622
Energy: 2.0795855377222145
Energy: 1.9415131991205443
Energy: 1.9128211105130202
Energy: 1.912079277730292
Energy: 1.913374683859653
Energy: 1.7560617274421553
Energy: 1.8501936823070801
Energy: 1.7534890547052897
Energy: 2.0407462580703006
Energy: 1.847470985297936
Energy: 2.006373566540024
Energy: 1.950158456481414
Energy: 1.9466433800396346
Energy: 2.0851535056122303
Energy: 1.84641782054544
Energy: 1.958021415870566
Energy: 1.85141619152067
Energy: 1.9126677041565743
Energy: 1.7971023816351772
Energy: 1.9454818833155545
Energy: 1.845101098772847
Energy: 1.7550691272306715
Energy: 1.9360556451764004
Energy: 1.9119862651737727
Energy: 1.9621431407668122
Energy: 1.9148871108749703
Energy: 1.900208374053976
Energy: 1.84392850299023
Energy: 1.9504612285713159
Energy: 1.7997251302351738
Energy: 1.7998953629653136
Energy: 1.9114312841857326
Energy: 1.8008403669049873
Energy: 1.944890156865177
Energy: 2.0482298453870573
Energy: 1.7568323552865321
Energy: 2.0444040278235502
Energy: 1.84578572075377
Energy: 1.9582269380670685
Energy: 1.7984114107200282
Energy: 1.9463653799256158
Energy: 2.0406961119301994
Energy: 1.7536521570280275
Energy: 1.9449383969934668
Energy: 1.865088223071587
Energy: 1.9584920600613787
Energy: 1.9144372095129638
Energy: 1.8897604960725534
Energy: 1.845354350803386
Energy: 1.9368120256324448
Energy: 1.937345164462342
Energy: 1.9111684393377073
Energy: 1.9121352374085356
Energy: 1.912157179896771
Energy: 1.8843424998298661
Energy: 1.8546398615491884
Energy: 1.7550550766883126
Energy: 1.9544912399055836
Energy: 1.9184349466674173
Energy: 2.00911672272602
Energy: 1.9551099965449337
Energy: 1.8094011338870108
Energy: 1.8848766023850119
Energy: 1.7541186755919211
Energy: 1.9355636454265577
Energy: 1.853838895601957
Energy: 1.9190910208404321
Energy: 1.7994054231142362
Energy: 1.8130013838545436
Energy: 2.0462964644234702
Energy: 1.8590134408232044
Energy: 1.9528764416227413
Energy: 1.7765168192446026
Energy: 1.9121743191560117
Energy: 1.9130976831458275
Energy: 1.7555781968189124
Energy: 1.8432111899272
Energy: 1.9780137362820556
Energy: 1.798669113063378
Energy: 1.7995882681887025
Energy: 1.9123641863156184
Energy: 1.7966084397424944
Energy: 1.8868043141452433
Energy: 1.8427329472406937
Energy: 1.9541737910399817
Energy: 1.7978736636189288
Energy: 1.797540074415477
Energy: 1.9128568886014765
Energy: 1.798138016564157
Energy: 2.0077402633035266
Energy: 1.9501772021929056
Energy: 1.852758545618451
Energy: 1.9171469805944001
Energy: 2.0290319164492225
Energy: 1.7979517721403544
Energy: 1.9201424686325292
Energy: 1.9532976035838983
Energy: 1.8430940150290345
Energy: 1.9349137891098838
Energy: 1.946755069783971
Energy: 1.9143458514809049
Energy: 1.9129239431724991
Energy: 1.9128765325441845
Energy: 1.7590229475854249
Energy: 1.8432646941823325
Energy: 2.0803195517624355
Energy: 1.939122623407356
Energy: 1.912897440680378
Energy: 2.0005237955273207
Energy: 1.913634301988773
Energy: 1.7560178822933692
Energy: 1.8494052614369738
Energy: 1.7533769593677881
Energy: 2.044087940789291
Energy: 1.8477359071747936
Energy: 2.119553922479056
Energy: 1.9519600428789476
Energy: 1.9466359860276914
Energy: 2.085328284161512
Energy: 1.8470339471428832
Energy: 2.0553759259470272
Energy: 1.8455041913100902
Energy: 1.9127345338163058
Energy: 1.7969216495176195
Energy: 1.9456599324917867
Energy: 1.84484673080572
Energy: 1.7551986025758284
Energy: 1.9358055605215803
Energy: 1.797752198431916
Energy: 1.9619858352986208
Energy: 1.9146439200018737
Energy: 1.8900193038585826
Energy: 1.8436254295845411
Energy: 1.9499536123906194
Energy: 1.7997944303432407
Energy: 1.7997191679096876
Energy: 1.9115838447610647
Energy: 1.8002196880636034
Energy: 1.9455686262425587
Energy: 2.0450816956221205
Energy: 1.7548725473764748
Energy: 2.0439189819782713
Energy: 1.8448688004620324
Energy: 1.9603543719841654
Energy: 1.7974494460202488
Energy: 1.9458492634532227
Energy: 2.0418919587267674
Energy: 1.753403781210604
Energy: 1.9447573893668737
Energy: 1.8442368494520587
Energy: 1.9587179150751075
Energy: 1.9137060659075085
Energy: 1.8861370565785425
Energy: 1.8447877793520395
Energy: 1.9374573774922699
Energy: 1.9372846780899842
Energy: 1.9110649916217588
Energy: 1.9121202518717066
Energy: 1.9122533848632193
Energy: 1.882978994482347
Energy: 1.8498928904618244
Energy: 1.7565669442529968
Energy: 1.953798773509512
Energy: 1.8442004239200913
Energy: 2.0079565660899945
Energy: 1.9543215815649988
Energy: 1.8098031953214477
Energy: 1.8845460632990383
Energy: 1.7548471740772225
Energy: 1.935244324697888
Energy: 1.8460748426356255
Energy: 1.9192036512977964
Energy: 1.800031419254929
Energy: 1.8115890150622211
Energy: 2.0462784021418905
Energy: 1.8595490657560412
Energy: 1.9519864942917198
Energy: 1.8667834258519203
Energy: 1.9121540963536894
Energy: 1.9124555253496036
Energy: 1.7558568844599307
Energy: 1.8432963977918464
Energy: 1.9776578053310443
Energy: 1.7988745159408537
Energy: 1.7982717899405616
Energy: 1.91201288130904
Energy: 1.796570964998408
Energy: 1.8874973729439657
Energy: 1.8426713627581413
Energy: 1.7532493067823858
Energy: 1.7978735631736946
Energy: 1.7976379037822645
Energy: 1.9130090654478507

minimum gb energy = 1.7532493067823858 eV
minimum distance =  2.31238698682208 Angstroms
sigma value = 21


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

Energy: 2.3175467372407796
Energy: 2.1534893412233713
Energy: 1.7600742267755596
Energy: 2.318390987021751
Energy: 1.871631637026961
Energy: 1.8721963242918727
Energy: 2.153199217128271
Energy: 1.9439652830009022
Energy: 1.932876600738909
Energy: 2.0486617555078954
Energy: 1.8135770822175532
Energy: 1.7417902194991046
Energy: 2.0317298999170426
Energy: 1.8717475203096074
Energy: 2.0075718242934255
Energy: 1.8598622584008107
Energy: 1.8819548527682068
Energy: 1.8057077518838813
Energy: 1.8520419037969087
Energy: 1.8625867503282794
Energy: 1.87953450452677
Energy: 2.2087327929063783
Energy: 1.856642456311414
Energy: 1.9262379808591648
Energy: 1.928290002190817
Energy: 1.936238059749703
Energy: 1.8710824650336633
Energy: 2.04466152134753
Energy: 1.831380277865956
Energy: 1.8193879418373946
Energy: 1.922066099362032
Energy: 1.785615623550754
Energy: 1.7036340394618399
Energy: 1.8847482342881328
Energy: 1.8678568259395303
Energy: 1.7848086915018484
Energy: 1.7406473382678223
Energy: 1.9714813269274063
Energy: 1.855067816348803
Energy: 1.6965899693320383
Energy: 1.863539318386083
Energy: 1.8392306979911122
Energy: 2.0389180087993304
Energy: 1.7781352654811542
Energy: 1.8748913826773574
Energy: 1.8771808021302625
Energy: 1.7842114732975007
Energy: 1.7842700357445813
Energy: 1.8374005722729998
Energy: 1.8725929294525638
Energy: 1.7884667489944885
Energy: 1.8864505217959993
Energy: 1.92429811836284
Energy: 1.8744208503870214
Energy: 1.8333616449352952
Energy: 1.8470469648780439
Energy: 1.9074008978523391
Energy: 1.8047177693250742
Energy: 1.9681725351895094
Energy: 1.9621822536941624
Energy: 1.8465682296099792
Energy: 2.0590932613928556
Energy: 1.8659316175146354
Energy: 2.2580217070406903
Energy: 2.0274766846606393
Energy: 1.7717871798071312
Energy: 1.8906947881734828
Energy: 1.8716885651352777
Energy: 1.8750053015285582
Energy: 1.8313911927339115
Energy: 1.9518786398376233
Energy: 1.879444065423846
Energy: 1.9033340588541692
Energy: 1.9542226134663867
Energy: 1.7838775995596272
Energy: 1.7841038585685631
Energy: 1.8860481244140044
Energy: 1.874838890826222
Energy: 1.9365937498879706
Energy: 2.0819386808346976
Energy: 1.9482417792310398
Energy: 1.9826063085988197
Energy: 2.1521402368852933
Energy: 1.8630810681706376
Energy: 2.1517066809904297
Energy: 1.8544579652726692
Energy: 1.8366767730923428
Energy: 2.0835807742466286
Energy: 1.8064673310993247
Energy: 1.8709381150094606
Energy: 1.784184556497239
Energy: 1.7829708747118336
Energy: 1.8585099967350664
Energy: 1.9122749467366922
Energy: 1.9796673976418757
Energy: 1.927912024899509
Energy: 1.8768432002582753
Energy: 1.866355964241832
Energy: 1.872415289204832
Energy: 1.9301531857241463
Energy: 1.8968029805800248
Energy: 1.8051539193420736
Energy: 1.949280736998266
Energy: 2.034205423370523
Energy: 1.8351426975085383
Energy: 1.9161766198448869
Energy: 1.7277785889658277
Energy: 1.8769476079033551
Energy: 1.8716225510241584
Energy: 1.8707166223046503
Energy: 1.8644626418392525
Energy: 1.8732144595812616
Energy: 1.831863140082722
Energy: 1.9271417997895053
Energy: 1.884616562051154
Energy: 1.7848295778575929
Energy: 1.6470435857015624
Energy: 1.8466137449460251
Energy: 1.9611072097485645
Energy: 1.7863801289324863
Energy: 1.726624852019475
Energy: 1.9044375053286784
Energy: 1.77710276457292
Energy: 1.8613341985999043
Energy: 1.840703640900163
Energy: 1.823624804072875
Energy: 2.1512578628904517
Energy: 1.6978017010597939
Energy: 1.9245204480810496
Energy: 1.7747534251503576
Energy: 1.7846546269054049
Energy: 1.784228418033098
Energy: 1.8417933772285966
Energy: 1.8725681868292414
Energy: 1.7861077249492507
Energy: 1.8647320634778115
Energy: 1.9233294328294275
Energy: 1.832670808392994
Energy: 1.8323167277720565
Energy: 1.8703649858018365
Energy: 1.8721321307396408
Energy: 1.726713240007389
Energy: 1.9671901143151773
Energy: 1.9343572961092834
Energy: 1.8594801895705135
Energy: 2.0440780219330605
Energy: 1.9025286282480975
Energy: 2.0175208235742543
Energy: 1.8014598008946614
Energy: 1.8989102237883861
Energy: 1.9148616200328785
Energy: 1.7362925184778852
Energy: 1.8473970259852606
Energy: 1.937009145756893
Energy: 1.9234550026278103
Energy: 1.789944155311632
Energy: 1.84333610996583
Energy: 1.8850634625977583
Energy: 1.8911069314895754
Energy: 1.8746746400280014
Energy: 1.8329840014367043
Energy: 1.872023275750201
Energy: 1.9315911920625106
Energy: 1.758430435731446
Energy: 1.8801815458310251
Energy: 2.1526024893200515
Energy: 2.152352129139663
Energy: 1.8618305380225382
Energy: 1.7829803492236653
Energy: 1.9323766438976622
Energy: 1.8762535726933838
Energy: 1.950983468452809
Energy: 1.9685477990290754
Energy: 1.87468680331086
Energy: 1.8860381920431575

minimum gb energy = 1.6470435857015624 eV
minimum distance =  2.28748249731006 Angstroms
sigma value = 113


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

Energy: 2.2500721369404975
Energy: 2.0034861996852644
Energy: 2.044258473298447
Energy: 1.7395369459135182
Energy: 1.8308642542801061
Energy: 1.8452391799846986
Energy: 2.0236495191940094
Energy: 1.9404871386451332
Energy: 1.925650849977603
Energy: 1.7563691068174831
Energy: 1.747835646502997
Energy: 1.7205982208796842
Energy: 1.7867251196128597
Energy: 1.7421041907939963
Energy: 2.0510040388870845
Energy: 1.9828798611130587
Energy: 1.976073168645071
Energy: 1.795041285220566
Energy: 1.7168166794488189
Energy: 1.8992835575099896
Energy: 1.799834868483728
Energy: 1.828279182727687
Energy: 1.8975518395118063
Energy: 1.741743076995839
Energy: 1.751837386298629
Energy: 1.723355593044431
Energy: 1.7364311486374389
Energy: 1.9460080196583014
Energy: 1.7138167111809441
Energy: 1.7942001902925968
Energy: 1.7467125924035274
Energy: 1.80106996341095
Energy: 1.8555097938244642
Energy: 1.7626502294261452
Energy: 2.0384827925568882
Energy: 1.9402564985211812
Energy: 1.822616577205694
Energy: 1.8878308429337565
Energy: 1.730287156358575
Energy: 1.8414423192290843
Energy: 1.9600817220357114
Energy: 1.803421557849693
Energy: 1.9272023665649534
Energy: 1.793315743385709
Energy: 1.8502619904976083
Energy: 1.8111600602173348
Energy: 1.7166382422307382
Energy: 1.7981362347174448
Energy: 1.9383719983938608
Energy: 1.7534496857428767
Energy: 1.800721674924107
Energy: 1.7335396800190097
Energy: 1.7134240756052954
Energy: 1.9299932993025681
Energy: 1.7396098202428119
Energy: 1.6888731107304311
Energy: 1.7422304871056957
Energy: 1.826421449019422
Energy: 2.004576412942537
Energy: 1.7384606640169138
Energy: 1.76832542245384
Energy: 1.9672093153105004
Energy: 1.8064351759784731
Energy: 1.9626099284385685
Energy: 1.8532668529559826
Energy: 1.9389228254328268
Energy: 1.7479929555674212
Energy: 1.8128271508107816
Energy: 1.8233043740568589
Energy: 1.727283032955797
Energy: 1.968437125284339
Energy: 1.7461860181955458
Energy: 1.8788485142955407
Energy: 1.76928240666658
Energy: 1.8430074944206565
Energy: 1.8910431125093703
Energy: 1.736723565425232
Energy: 1.8625774118289213
Energy: 1.7594525105114056
Energy: 2.098699100531519
Energy: 1.9364426655387668
Energy: 1.8456632081587465
Energy: 2.218258905718007
Energy: 1.7655099659947129
Energy: 1.844779092562235
Energy: 1.7821885829992432
Energy: 1.8678574659251401
Energy: 1.762748773474833
Energy: 1.790661805800507
Energy: 1.7260685006868663
Energy: 1.7480411777919764
Energy: 1.9763298500761803
Energy: 1.8075285190090156
Energy: 1.8484219147665577
Energy: 1.8313420364780815
Energy: 1.7712394056661471
Energy: 1.8495374120034076
Energy: 1.7178348335599902
Energy: 1.8319199343589836
Energy: 1.7524567214998483
Energy: 2.0109546807727705
Energy: 1.7447729252520794
Energy: 1.7095854948291118
Energy: 1.8718250411805564
Energy: 1.7378280281907077
Energy: 1.7172432404199713
Energy: 1.7233351181866001
Energy: 1.7397468060420849
Energy: 1.7873556651203726
Energy: 1.7587109027276815
Energy: 1.7607034079226864
Energy: 1.9383870115748463
Energy: 1.741283217971466
Energy: 1.938128085073607
Energy: 1.8892763897433065
Energy: 1.789790512164259
Energy: 1.7255671265614558
Energy: 1.723938003504824
Energy: 2.0182987515728072
Energy: 1.9544712926482763
Energy: 1.8389984892906122
Energy: 1.885972550009206
Energy: 1.7327906638191466
Energy: 1.9344385111896687
Energy: 1.8442769962243921
Energy: 1.8598071773660088
Energy: 1.8328479824756578
Energy: 1.823371299554835
Energy: 1.934576380333704
Energy: 1.7441702632728053
Energy: 1.806174178011785
Energy: 1.7607182424748962
Energy: 1.880931246780238
Energy: 1.847088798915483
Energy: 1.7616775523279036
Energy: 1.8816562328597262
Energy: 1.7470498369648026
Energy: 2.0032750089031834
Energy: 1.8587528303662708
Energy: 1.8265319213879314
Energy: 2.047084893925752
Energy: 1.7687449978517047
Energy: 1.7663804498923144
Energy: 1.729052945585125
Energy: 1.7195173509022892
Energy: 1.7116915748140225
Energy: 1.7391135025289177
Energy: 1.9733420639777073
Energy: 1.7708049578172893
Energy: 1.921549019165298
Energy: 1.8024572752687942
Energy: 1.7209203946934457
Energy: 1.7141944255074468
Energy: 1.740015338893678
Energy: 1.7061429179109169
Energy: 1.78099551895057
Energy: 1.914701361405329
Energy: 2.0062444376325543
Energy: 1.9681620926047354
Energy: 1.8454366032520377
Energy: 1.8778512501106772
Energy: 1.9409986090300895
Energy: 1.926250667257324
Energy: 1.7416575653050201
Energy: 1.9182732990890854
Energy: 1.7204699577984393
Energy: 1.7312710576827426
Energy: 1.7407558480602427
Energy: 1.7611113356415995
Energy: 1.975201344328543
Energy: 2.013570859969618
Energy: 1.7314208856263296
Energy: 1.748036470275602
Energy: 1.8442390358696523
Energy: 1.7992428355014416
Energy: 1.7445594312777817
Energy: 1.7486604871184512
Energy: 1.7400023504735398
Energy: 1.8326409063304705
Energy: 1.7616872631830347
Energy: 1.7470007445518454
Energy: 1.932507959008737
Energy: 1.7465354056185955
Energy: 1.7938063112805318
Energy: 1.7455241443215805
Energy: 1.8013786108540746
Energy: 1.7489937551216708
Energy: 1.770258547096636
Energy: 2.0393882368976004
Energy: 1.9433281690998685
Energy: 1.8960613307527492
Energy: 2.0198318398642505
Energy: 1.733082364307693
Energy: 1.8411154493212831
Energy: 1.8201378186843555
Energy: 1.717400445425712
Energy: 1.8849286821671356
Energy: 1.7931636715695
Energy: 1.8490446048169418
Energy: 1.7875190112690356
Energy: 1.7181455660939142
Energy: 1.7995728632616754
Energy: 1.9652950400738396
Energy: 1.7521535938186228
Energy: 1.8004942801879142
Energy: 1.776800696245667
Energy: 1.83358624249708
Energy: 1.8379560034659652
Energy: 1.7269992225156878
Energy: 1.8629801480062471
Energy: 1.7427030165242303
Energy: 1.8829149009116644
Energy: 2.003696830157874
Energy: 1.8255867876936156
Energy: 1.8697212798482348
Energy: 2.1003481700486266
Energy: 1.8040507140584654
Energy: 1.8621819706649063
Energy: 1.862799625811212
Energy: 1.953870972438227
Energy: 1.7487184189781986
Energy: 1.8118689967832196
Energy: 1.9172022140023255
Energy: 1.7520451470046658
Energy: 1.9653287901399814
Energy: 1.7460970691504623
Energy: 1.8762751943709415
Energy: 1.8979027956672343
Energy: 1.826548255148776
Energy: 1.89174617111934
Energy: 1.7378249223508528
Energy: 1.8621594302914375
Energy: 1.7599518326315158
Energy: 2.0983753741090214
Energy: 1.88997019417902
Energy: 1.851430546578603
Energy: 1.9863846419843427
Energy: 1.8816896634717708
Energy: 1.8480952280504026
Energy: 1.7783114436374612
Energy: 1.77650976816773
Energy: 1.7640258513205491
Energy: 1.7954440235590268
Energy: 1.8052813194264523
Energy: 1.748206505563361
Energy: 2.103107961617638
Energy: 1.8256311097863136
Energy: 1.8475756672018182
Energy: 1.8014108748056155
Energy: 1.7644243449088377
Energy: 1.8488049081642506
Energy: 1.8726482853622213
Energy: 1.8268242355195767
Energy: 1.84983660775328
Energy: 2.0091639152314986
Energy: 1.7410685900390963
Energy: 1.7291403005870556
Energy: 2.0012779352999814
Energy: 1.7278456015891746
Energy: 1.7124863444519591
Energy: 1.7834452065356126
Energy: 1.718412813245922
Energy: 1.7864973861979396
Energy: 1.7589768884173784
Energy: 1.7705321292950211
Energy: 1.9404282604140712
Energy: 1.7536363174453593
Energy: 1.9209019949658241
Energy: 1.888933996532128
Energy: 1.7625842795627207
Energy: 1.7273944832914336
Energy: 1.8508906347756642
Energy: 2.0250272440223354
Energy: 1.8462995234136532
Energy: 1.9645646219677244
Energy: 2.007627197075935
Energy: 1.732990442458223
Energy: 1.8596435411423173
Energy: 1.8444608417376749
Energy: 1.8262139370389865
Energy: 1.9562231694319105
Energy: 1.9117930762619622
Energy: 1.8354184868506216
Energy: 1.9043626302049559
Energy: 1.806599223560998
Energy: 1.7544922682983943
Energy: 1.8681888029330285
Energy: 1.8460558402244636
Energy: 1.7205103355854476
Energy: 1.9136405310533313
Energy: 1.975376103104564
Energy: 1.9705194277571945
Energy: 1.7227684541049193
Energy: 1.73804315144019
Energy: 1.916186460684526
Energy: 1.768468814944123
Energy: 1.7635712215573964
Energy: 1.8821069305342217
Energy: 1.7211590125924034
Energy: 1.7148971668559383
Energy: 1.7410921230839758
Energy: 2.0698566436400085
Energy: 1.7711469821687307
Energy: 1.7499689037762434
Energy: 1.8571100858972371
Energy: 1.71944956823138
Energy: 1.7112842924249676
Energy: 1.7380376426572184
Energy: 1.7067543633171498
Energy: 1.7495114449481524
Energy: 1.9141916476071528
Energy: 1.7074032226702938
Energy: 1.8846387628924284
Energy: 1.7340861423887415
Energy: 1.7217127933547622

minimum gb energy = 1.6888731107304311 eV
minimum distance =  2.28367464454522 Angstroms
sigma value = 365


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

Energy: 1.8293647642935187
Energy: 1.5613789468849189
Energy: 1.5624993306623363
Energy: 1.5621492623234665
Energy: 1.5620565400365707
Energy: 1.562409978461061
Energy: 1.5620472497373148
Energy: 1.7409885150234676
Energy: 1.878030099386015
Energy: 1.5601605000068437
Energy: 1.5593370110916767
Energy: 1.5597531529331943
Energy: 1.559994333618254
Energy: 1.8783988837244128
Energy: 1.8349211151462055
Energy: 1.8780500675326457
Energy: 1.5594232058108235
Energy: 1.5634720433599096
Energy: 1.5595655336768466
Energy: 1.5608917562961795
Energy: 1.5625700075443332
Energy: 1.8336082803170575
Energy: 1.8772791730989324
Energy: 1.563424676282404
Energy: 1.5635993738052973
Energy: 1.5630733273078936
Energy: 1.5604701962943457
Energy: 1.5621220396425621
Energy: 1.7390756575206017
Energy: 1.8792124024261085
Energy: 1.5796335546657687
Energy: 1.8784285384767963
Energy: 1.5601945483210815
Energy: 1.5785016325912835
Energy: 1.875006698663991
Energy: 1.8301427801911423
Energy: 1.879178620925341
Energy: 1.563058411799473
Energy: 1.56218819355436
Energy: 1.562832171926462
Energy: 1.5624165324807102
Energy: 1.5613205914877128
Energy: 1.5585091238897055
Energy: 1.877337038860393
Energy: 1.5598017949859757
Energy: 1.5593580265461846
Energy: 1.5589705970502983
Energy: 1.5602653613194435
Energy: 1.8775308326219353
Energy: 1.5601468975822896
Energy: 1.876679146406922
Energy: 1.5599778604115506
Energy: 1.5592019921139488
Energy: 1.5592446746347628
Energy: 1.55933681448092
Energy: 1.8768257805308166
Energy: 1.8313793493941322
Energy: 1.8783272790484724
Energy: 1.5629266585246353
Energy: 1.5626608699760098
Energy: 1.5622161998183757
Energy: 1.5634319699519168
Energy: 1.5616737806083631
Energy: 2.0227031229288377
Energy: 1.8795729829525516
Energy: 1.5835178058155264
Energy: 1.8798996686639924
Energy: 1.8766788050025063
Energy: 1.5827145382720946
Energy: 1.8793814357877892
Energy: 1.832457152760101
Energy: 1.8782623545829553
Energy: 1.5608324352469944
Energy: 1.5625568908465404
Energy: 1.5634821252571327
Energy: 1.5630247998725277
Energy: 1.5615666336701892
Energy: 1.832279770144788
Energy: 1.8786597417299378
Energy: 1.5595517271262427
Energy: 1.5598067395605386
Energy: 1.5610374791061492
Energy: 1.559867010262447
Energy: 1.8769208985755086
Energy: 1.669679656031947
Energy: 1.878079178163531
Energy: 1.559634155578516
Energy: 1.5592982591726257
Energy: 1.5592376887971042
Energy: 1.559664315808094
Energy: 1.877038895480529
Energy: 1.8297313624650622
Energy: 1.8787700511727603
Energy: 1.5625222469224582
Energy: 1.5625364080596216
Energy: 1.5619968293287554
Energy: 1.562724532982841
Energy: 1.5616640961854988
Energy: 1.7400059627182614
Energy: 1.8794992282525627
Energy: 1.5781426185389273
Energy: 1.5596972130463567
Energy: 1.5592583012776584
Energy: 1.5606766866647617
Energy: 1.87920057680139
Energy: 1.8345005936468453
Energy: 1.8789703865653187
Energy: 1.5604527737709126
Energy: 1.563288146636314
Energy: 1.564062685946341
Energy: 1.5642653238985191
Energy: 1.5621494136028724
Energy: 1.8352029303027688
Energy: 1.8788821258260588
Energy: 1.5604074600331113
Energy: 1.5629245300842503
Energy: 1.563480397648376
Energy: 1.560006840728341
Energy: 1.562642913983476
Energy: 1.7407855632627
Energy: 1.8790280240258819
Energy: 1.560406799195958
Energy: 1.5591979835495169
Energy: 1.5605204114372757
Energy: 1.560408194391133
Energy: 1.879409812335045
Energy: 1.8294617940807547
Energy: 1.877466853519354
Energy: 1.5627457299639838
Energy: 1.5622395192537515
Energy: 1.5621236669505572
Energy: 1.5623893733545875
Energy: 1.562204619499486
Energy: 1.8252232116716374
Energy: 1.8773743343586264
Energy: 1.5602247487718777
Energy: 1.5591141768345993
Energy: 1.5586890913749047
Energy: 1.559793462701091
Energy: 1.8784735755458637

minimum gb energy = 1.5585091238897055 eV
minimum distance =  2.39323463363471 Angstroms
sigma value = 23