Model name: model_name=SNAP_LiHuChen_2018_NiMo__MO_468686727341_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5222107768058777
cohesive_energy=2.8494703186615773
mass=58.6934
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=[-1.4685182526618178e-20, 3.2648835012325195e-20, 8.717971783883219e-20, 1.39151443927851e-19, 1.8522283412683797e-19, 2.24290309170294e-19, 2.5714774758036596e-19, 2.8527556056687e-19, 3.0995388726037197e-19, 3.32004644274114e-19, 3.51874838888982e-19, 3.6977275406739597e-19, 3.8578971387749403e-19, 3.99972181441662e-19, 4.1236021117575e-19, 4.2301308361521597e-19, 4.3186510951806598e-19, 4.389867846561959e-19, 4.44658489940556e-19, 4.490804974503959e-19, 4.52395400906142e-19, 4.54699330905834e-19, 4.56053170161564e-19, 4.5650017744245e-19, 4.56009911392446e-19, 4.5439331516874e-19, 4.513908361566239e-19, 4.46674028146128e-19, 4.39839142625484e-19, 4.3040072007458998e-19, 4.17793192141644e-19, 4.01372483819778e-19, 3.8045286350964e-19, 3.54412686677238e-19, 3.22861022223876e-19, 2.85216280031412e-19, 2.40948139633992e-19, 1.8969130475906398e-19, 1.313365069601892e-19, 6.61243931677944e-20, -5.314772373837479e-21, -8.20471449918132e-20, -1.6339317748858798e-19, -2.5012220304027597e-19, -3.4459935479398797e-19, -4.49998544661678e-19, -5.70112124736024e-19, -7.08601068625716e-19, -8.752146211486439e-19, -1.112496980644044e-18, -1.480861421450154e-18, -2.1832380338527798e-18, -4.11097695988158e-18, -1.0109750582306339e-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: -2.93166306676502 eV

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

Energy: 0.014177405133770372
Energy: 0.014901047293954034
Energy: 1.1013268351035146
Energy: 0.9932007232825606
Energy: 0.9913842714623485
Energy: 0.49632864293892753
Energy: 0.017096539264968888
Energy: 0.015097879542496969
Energy: 1.3363705871065008
Energy: 0.460060374493646
Energy: 0.5384681719920605
Energy: 0.5382534515511203
Energy: 0.01544347967278216
Energy: 0.15447706296779476
Energy: 0.01463728333789938
Energy: 1.3364837446036573
Energy: 1.1200556944516786
Energy: 0.8744756739747512
Energy: 0.5379087830335424
Energy: 0.15221981881020696
Energy: 0.15444197689296624
Energy: 0.017969620900033418
Energy: 0.9497374637632184
Energy: 0.9536158607947454
Energy: 0.9930183783886106
Energy: 0.99205978802781
Energy: 0.152489276363318
Energy: 0.01590690389442052
Energy: 0.9457972986727339
Energy: 0.9983380389724391
Energy: 0.4600014108052139
Energy: 1.1197658594671787
Energy: 0.5378875616397842
Energy: 0.015221609456558162
Energy: 0.1517697672293045
Energy: 0.014674528304111261
Energy: 0.9470036852408558
Energy: 1.1203025157259816
Energy: 0.8730766556519995
Energy: 0.538619335132995
Energy: 0.15182464591487305
Energy: 0.1538915911311853

minimum gb energy = 0.014177405133770372 eV
minimum distance =  2.46983265734881 Angstroms
sigma value = 5


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

Energy: 1.6206915830856266
Energy: 1.6015665767813192
Energy: 1.8143652494896363
Energy: 1.7789989262147932
Energy: 1.7726683195597082
Energy: 1.7022297739803398
Energy: 1.6991970344284868
Energy: 1.5570273498666805
Energy: 1.727610154996048
Energy: 1.4744072954524718
Energy: 1.712229615981967
Energy: 1.7919846230895276
Energy: 1.6962737429109638
Energy: 1.6885858382190375
Energy: 1.74053554709766
Energy: 1.7878088765911866
Energy: 1.7326906573679308
Energy: 1.6875431840191493
Energy: 1.741519723944445
Energy: 1.695567567555763
Energy: 1.7190345618754015
Energy: 1.4743904113706445
Energy: 1.6934791936294744
Energy: 1.5270079786781985
Energy: 1.721304076804625
Energy: 1.722579772789624
Energy: 1.6868798886080008
Energy: 1.7074144722090754
Energy: 1.7238100298486814
Energy: 1.6498876169325898
Energy: 1.638645533471603
Energy: 1.577157626246677
Energy: 1.6982694271236265
Energy: 1.7281439878109666
Energy: 1.7532312217169548
Energy: 1.7963130785411374
Energy: 1.75893161383791
Energy: 1.7062914923473729
Energy: 1.6719690711015522
Energy: 1.6345237205823364
Energy: 1.7406075609788192
Energy: 1.754231194415502
Energy: 1.5127480678112717
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Energy: 1.6572721040187102
Energy: 1.6975520598358573
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Energy: 1.6419205326986526
Energy: 1.8146881766237384
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Energy: 1.7223873016857543
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Energy: 1.7137339364033266
Energy: 1.7301331555692836
Energy: 1.6714744048662782
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Energy: 1.6885814940818702
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Energy: 1.7882084486523768
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Energy: 1.7149057190190145
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Energy: 1.7958848680816888
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Energy: 1.6584189900007484
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Energy: 1.6607944164929216
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Energy: 1.642699034853869
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Energy: 1.6744021008172816
Energy: 1.676017707070057
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Energy: 1.6908040587914388
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Energy: 1.6391899044341935
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Energy: 1.7022263559354394
Energy: 1.6930242196501588
Energy: 1.695128754654602
Energy: 1.6782508579956303
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Energy: 1.578052132033274
Energy: 1.697547262930033
Energy: 1.6022081907362737
Energy: 1.6818164049723585
Energy: 1.6372110180031603
Energy: 1.6149246332322458
Energy: 1.7461347411878974
Energy: 1.8176844802039471
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Energy: 1.6268333942424376
Energy: 1.6849190378898105
Energy: 1.7169717100761857
Energy: 1.736945528123753
Energy: 1.8212681240563833
Energy: 1.7170817796318707
Energy: 1.7673210328866464
Energy: 1.654040269664445
Energy: 1.657799891854615
Energy: 1.6831369693727574
Energy: 1.7046170123146567
Energy: 1.811952932958916
Energy: 1.674603625538107
Energy: 1.6342844261294285
Energy: 1.6598043291740256
Energy: 1.6481651134306305
Energy: 1.6796787305404002
Energy: 1.7035211882325694
Energy: 1.7799161493677529
Energy: 1.4698719697039229
Energy: 1.7241466795780596
Energy: 1.69482109881376
Energy: 1.6319167800332615
Energy: 1.7115801415017118
Energy: 1.628855118169828
Energy: 1.6395284389466207
Energy: 1.6800578009906726
Energy: 1.7721591253772622
Energy: 1.735426778512925
Energy: 1.7181440683869063
Energy: 1.7915075720168718
Energy: 1.7217738694875133
Energy: 1.713332693992297
Energy: 1.5530154630996906
Energy: 1.6826526863439804
Energy: 1.7299104590120562
Energy: 1.7802153901810596
Energy: 1.7192234905472403
Energy: 1.6711415156024438
Energy: 1.6911238858070106
Energy: 1.6221081989541088
Energy: 1.8455317288974897
Energy: 1.801643195408382
Energy: 1.7442670442156438
Energy: 1.7228146150260744
Energy: 1.7175830672440051
Energy: 1.6007653741507104

minimum gb energy = 1.4698719697039229 eV
minimum distance =  2.19960663478911 Angstroms
sigma value = 401


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

Energy: 1.5047745312596044
Energy: 1.6305164241471002
Energy: 1.8560846413981442
Energy: 1.849479547415228
Energy: 1.7068540414146278
Energy: 1.6078783150973899
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Energy: 1.526877669483186
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Energy: 2.01349792271279
Energy: 1.7063837248764462
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Energy: 1.7716841358256632
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Energy: 1.5240975117646192
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Energy: 1.6760595683102932
Energy: 1.8103559767068413
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Energy: 1.5167703757072717
Energy: 1.668425787427709
Energy: 1.7841671260875658
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Energy: 1.6156713533121057
Energy: 1.6319713471856416
Energy: 1.8039252699758983
Energy: 1.5880266261530893
Energy: 1.489892544462649
Energy: 1.5253644140906055
Energy: 1.6065514902776517
Energy: 1.6486816291602673
Energy: 1.6182252288068222
Energy: 1.7940321175360472
Energy: 1.7087933182569428
Energy: 1.5315961744705968
Energy: 1.6359634178132052
Energy: 1.604225950931071
Energy: 1.5868236678367156
Energy: 1.8300323614811167
Energy: 1.807271509786212
Energy: 1.5451623778580055
Energy: 1.6664787467647344
Energy: 1.5237931701618852
Energy: 1.5637937710823653
Energy: 1.7137859994374498
Energy: 1.7121644322751888
Energy: 1.5743545614678547
Energy: 1.5356868412744977
Energy: 1.6469121970267226
Energy: 1.580081643004328
Energy: 1.8276397194778082
Energy: 1.7103536161091797
Energy: 1.5648986843807653
Energy: 1.612695300518003
Energy: 1.543620480775449
Energy: 1.5236530571043356
Energy: 1.7287178222184991
Energy: 1.8379816952553825
Energy: 1.6054676857250927
Energy: 1.609941686389094
Energy: 1.514512537806645
Energy: 1.511201637102995
Energy: 2.013374542913961
Energy: 1.7711977927824774
Energy: 1.6326139827212598
Energy: 1.7743637840643833
Energy: 1.6168514353143404
Energy: 1.5145298987055424
Energy: 1.5310442215743567
Energy: 1.5067197389140992
Energy: 1.5843344144329226
Energy: 1.5609703777113126
Energy: 1.6154615737332159
Energy: 1.5837285310036613
Energy: 1.636902738444679
Energy: 1.6695207468824314
Energy: 1.778749330457382
Energy: 1.6109031302342234
Energy: 1.644339955411501
Energy: 1.6586937375936488
Energy: 1.6678260560691602
Energy: 1.6605371268436386
Energy: 1.5136562205612987
Energy: 1.50578616922544
Energy: 1.5442178679381353
Energy: 1.535358755821307
Energy: 1.6371464241602274
Energy: 1.7430273038181332
Energy: 1.6159423260968782
Energy: 1.8083474269173987
Energy: 1.6271410109943756
Energy: 1.504030217970015
Energy: 1.5446263313799364
Energy: 1.6157347641963367
Energy: 1.7069993722459886
Energy: 1.842138608008201
Energy: 1.595809076727206
Energy: 1.574884095494018
Energy: 1.5273244048250099
Energy: 1.6051587871646533
Energy: 1.6476881486720238
Energy: 1.6185860801324723
Energy: 1.8069263828346755
Energy: 1.8386599547879532
Energy: 1.6585672063016754
Energy: 1.6039285427806689
Energy: 1.6047043621840762
Energy: 1.6253117214380015
Energy: 1.500814294481671
Energy: 1.8099891846661453
Energy: 1.5116188227535357
Energy: 1.6315401639677516
Energy: 1.522313409991436
Energy: 1.5634261905313807
Energy: 1.6577203232652165
Energy: 1.7445707165234172
Energy: 1.567909465604863
Energy: 1.5296614502356725
Energy: 1.644121520611078
Energy: 1.8486140094413137
Energy: 1.5567702050944034
Energy: 1.5058464103121019
Energy: 1.5666937726120336
Energy: 1.6104502607712816
Energy: 1.5405435948929702
Energy: 1.5141399332607712
Energy: 1.7082473072712023
Energy: 1.836228622710561
Energy: 1.7915624333734896
Energy: 1.6328209238795146
Energy: 1.6048220642934958

minimum gb energy = 1.489892544462649 eV
minimum distance =  2.19128251678675 Angstroms
sigma value = 311


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

Energy: 1.5870677412305516
Energy: 1.6885586581806655
Energy: 1.6389306832489918
Energy: 1.6926041135118022
Energy: 1.69081683490322
Energy: 1.592252001985018
Energy: 1.6929854540041502
Energy: 1.6012214851797058
Energy: 1.6728252630831713
Energy: 1.5939692746086955
Energy: 1.6526216180289819
Energy: 1.6749213949504307
Energy: 1.6658112316919573
Energy: 1.7437483677471064
Energy: 1.6246380536976852
Energy: 1.71900333275118
Energy: 1.635126072778385
Energy: 1.6753730698708036
Energy: 1.7552684082331327
Energy: 1.5928460091253818
Energy: 1.7630039196164125
Energy: 1.610114725982888
Energy: 1.6833319143528198
Energy: 1.5908293568576952
Energy: 1.7850618675607588
Energy: 1.6827488802264357
Energy: 1.6374817144263645
Energy: 1.7021862843452316
Energy: 1.7278139713599603
Energy: 1.7042772954578629
Energy: 1.6850819206432506
Energy: 1.750244965392305
Energy: 1.710938714064297
Energy: 1.5989819769567408
Energy: 1.6760451156648228
Energy: 1.5686467384740879
Energy: 1.6773311410148142
Energy: 1.6077252919407607
Energy: 1.6693035152317832
Energy: 1.6540507634194042
Energy: 1.6489124854803685
Energy: 1.66363041095364
Energy: 1.6536668737473617
Energy: 1.7365385854106496
Energy: 1.578680085581159
Energy: 1.7627579867099983
Energy: 1.7353359589799549
Energy: 1.7340161236427671
Energy: 1.6904999891007348
Energy: 1.5778216113607473
Energy: 1.708940212081278
Energy: 1.5688456080949322
Energy: 1.677106928062094
Energy: 1.7400782257914356
Energy: 1.6396930799474203
Energy: 1.7476434880646512
Energy: 1.5614717022062061
Energy: 1.7627981350617585
Energy: 1.5983199751056205
Energy: 1.7559147346144361
Energy: 1.7236518423961318
Energy: 1.6766715582990823
Energy: 1.6455780248002563
Energy: 1.7022280887997607
Energy: 1.6743448612939071
Energy: 1.672867991963672
Energy: 1.7888298364946684
Energy: 1.711667430659491
Energy: 1.641488249724007
Energy: 1.6391749666635609
Energy: 1.692319772854379
Energy: 1.6910312125542781
Energy: 1.523733827692905
Energy: 1.6083958698545537
Energy: 1.699766885970159
Energy: 1.6584466903479953
Energy: 1.6719340225185721
Energy: 1.5269562919497668
Energy: 1.6173733993272945
Energy: 1.6299678741543355
Energy: 1.677188254213706
Energy: 1.64135183052705
Energy: 1.5838432922393335
Energy: 1.6451596922252074
Energy: 1.6151752581543106
Energy: 1.740776805240614
Energy: 1.7099278526688877
Energy: 1.7356084959058677
Energy: 1.7659564834191828
Energy: 1.7242536351128515
Energy: 1.6851897262322852
Energy: 1.6556240119567895
Energy: 1.7556630430846465
Energy: 1.592410789369271
Energy: 1.6699341263356189
Energy: 1.7273936908680108
Energy: 1.691806745453369
Energy: 1.692252397025226
Energy: 1.5650367868826078
Energy: 1.7256316874078526
Energy: 1.674687024216117
Energy: 1.808231480117223
Energy: 1.6740402715002491
Energy: 1.7370931701012704
Energy: 1.618162674559776
Energy: 1.586087879296687
Energy: 1.6299619204018927
Energy: 1.5949773651308479
Energy: 1.6088163383151584
Energy: 1.6906188602414207
Energy: 1.6576487457522209
Energy: 1.6907256635713281
Energy: 1.5239336480050842
Energy: 1.732360477828577
Energy: 1.7361510552612154
Energy: 1.713442204359077
Energy: 1.6796288063960345
Energy: 1.6627515676909894
Energy: 1.6153720613533347
Energy: 1.5665404546248936
Energy: 1.678472305424567
Energy: 1.6966552620344881
Energy: 1.7203812841192403
Energy: 1.7412938093058217
Energy: 1.5779577490881176
Energy: 1.672219788536853
Energy: 1.6121720778988853
Energy: 1.7574981622095787
Energy: 1.6932808493930966
Energy: 1.637393633373387
Energy: 1.748041148834664
Energy: 1.5962854009216387
Energy: 1.6883451982846291
Energy: 1.6640547488537232
Energy: 1.7681375182854222
Energy: 1.682306421130352
Energy: 1.6720176391834096
Energy: 1.7462321282807667
Energy: 1.7072126209078906
Energy: 1.7272009611874426
Energy: 1.5771162926656555
Energy: 1.770297583595929
Energy: 1.7299438163997771
Energy: 1.7373669323682128
Energy: 1.7013503239954224
Energy: 1.6996976003684143
Energy: 1.7437358714516669
Energy: 1.6684248839880949
Energy: 1.65171047385347
Energy: 1.671562839798968
Energy: 1.691303199653102
Energy: 1.7210609923793605
Energy: 1.6484199043472352
Energy: 1.6382396802081916
Energy: 1.747156037566875
Energy: 1.7977379906281081
Energy: 1.7574305958882321
Energy: 1.7690744293339966
Energy: 1.6987544454343249
Energy: 1.542174971894209
Energy: 1.6460626548050594
Energy: 1.6479742023838648
Energy: 1.6813413496637932
Energy: 1.594747394107465
Energy: 1.6982171087404105
Energy: 1.70663883811859
Energy: 1.6474859414765675
Energy: 1.6843040703694174
Energy: 1.6940217335832664
Energy: 1.6977634717533119
Energy: 1.698280018753945
Energy: 1.6803020896288838
Energy: 1.7230047150698264
Energy: 1.597364413469236
Energy: 1.6885241655737502
Energy: 1.6848118602788598
Energy: 1.753772628608343
Energy: 1.707040363397987
Energy: 1.661558056445777
Energy: 1.721508981906745
Energy: 1.667556232818367
Energy: 1.7396790819345687
Energy: 1.6696915616559143
Energy: 1.7498448226565892
Energy: 1.6343900748117193
Energy: 1.689843565720121
Energy: 1.6765624498980929
Energy: 1.6415143925714095
Energy: 1.746851123224408
Energy: 1.5611858212584893
Energy: 1.7101409136193477
Energy: 1.6821211890110688
Energy: 1.6638921204167343
Energy: 1.603250431237608
Energy: 1.5633385902367025
Energy: 1.6564380020483116
Energy: 1.590296201376857
Energy: 1.6866069294063308
Energy: 1.8079831211723323
Energy: 1.749490957324329
Energy: 1.663267627827608
Energy: 1.7041436587897443
Energy: 1.672668346659099
Energy: 1.6070241908837755
Energy: 1.865370026794699
Energy: 1.7358285970194876
Energy: 1.643975685964672
Energy: 1.6862705271786023
Energy: 1.6821738660147063
Energy: 1.74149821930498
Energy: 1.693150576165525
Energy: 1.6735995856656323
Energy: 1.7369384412629423
Energy: 1.6947218341256267
Energy: 1.7256482746544126
Energy: 1.6942818718471873
Energy: 1.7292001347001948
Energy: 1.7047759289019657
Energy: 1.7555317355942766
Energy: 1.7187915641186498
Energy: 1.7035734846349118
Energy: 1.7509038008199385
Energy: 1.6939716912904972
Energy: 1.7279853051329936
Energy: 1.57934234482121
Energy: 1.7779875725934848
Energy: 1.6207486996506257
Energy: 1.7741335151725397
Energy: 1.7877943350482999
Energy: 1.7015333893432099
Energy: 1.748082503954349
Energy: 1.606366244294493
Energy: 1.6871479802435698
Energy: 1.6850146580159997
Energy: 1.6827052796395219
Energy: 1.6211559255896972
Energy: 1.5602909747050469
Energy: 1.6357668567855181
Energy: 1.6020566121608504
Energy: 1.6804597093011253
Energy: 1.7311097907239636
Energy: 1.7183974236426598
Energy: 1.6497724080017384
Energy: 1.6891602178025322
Energy: 1.6984986156898274
Energy: 1.586977457496348
Energy: 1.8157964548491465
Energy: 1.688317531772325
Energy: 1.688074614811156
Energy: 1.66532877553435
Energy: 1.5954293795726955
Energy: 1.6731463037704404

minimum gb energy = 1.523733827692905 eV
minimum distance =  2.22494215759877 Angstroms
sigma value = 39


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

Energy: 1.5473504883669036
Energy: 1.587085375045939
Energy: 1.7510923955415754
Energy: 1.8568882126177293
Energy: 1.7273464158733522
Energy: 1.684044284493056
Energy: 1.5891433787348075
Energy: 1.5242937535549208
Energy: 1.5942809553591708
Energy: 1.5831339586671267
Energy: 1.6163562374938296
Energy: 1.5829001356804833
Energy: 1.6317903976757986
Energy: 1.5700258628086392
Energy: 1.630880113384505
Energy: 1.6126726259470974
Energy: 1.589762048778105
Energy: 1.5865430312667208
Energy: 1.5910565714102218
Energy: 1.5970140175652143
Energy: 1.6748635824983862
Energy: 1.5815172907412702
Energy: 1.5866252286143707
Energy: 1.6097165999849699
Energy: 1.6108083589569548
Energy: 1.5795767123264626
Energy: 1.585156154192336
Energy: 1.7542882878786432
Energy: 1.596088780230719
Energy: 1.5871418853722263
Energy: 1.5922491969189996
Energy: 1.5572009427460496
Energy: 1.7297888678165427
Energy: 1.683809865413941
Energy: 1.5627098276340565
Energy: 1.5257479521639803
Energy: 1.5816733717635358
Energy: 1.5586497881161387
Energy: 1.6481591412938175
Energy: 1.59827880645034
Energy: 1.6073151781830377
Energy: 1.5692124745105747
Energy: 1.81292661215049
Energy: 1.652108578963116
Energy: 1.7207926578157013
Energy: 1.6917547321076425
Energy: 1.5850339329252878
Energy: 1.5442420909212256
Energy: 1.6416884951513049
Energy: 1.530984523328188
Energy: 1.5928979841639843
Energy: 1.7278912868336755
Energy: 1.6431845478200822
Energy: 1.5924698542918085
Energy: 1.627559841718575
Energy: 1.5663303485111124
Energy: 1.5301250209186716
Energy: 1.593742712754531
Energy: 1.6667349950205275
Energy: 1.5418820636358388
Energy: 1.5810456184326338
Energy: 1.7157663883132235
Energy: 1.5655847883593088
Energy: 1.8132571052662843
Energy: 1.676316659913873
Energy: 1.601953186793533
Energy: 1.5827569974626756
Energy: 1.5891414853139187
Energy: 1.5673058307017897
Energy: 1.5678972962390254
Energy: 1.5767311755065945
Energy: 1.6257703688398526
Energy: 1.6316944109351919
Energy: 1.6108278612772577
Energy: 1.581605842235043
Energy: 1.5684715542049967
Energy: 1.7437337785540001
Energy: 1.5847476268208358
Energy: 1.5828014082280901
Energy: 1.5996792475667416
Energy: 1.542337855479254
Energy: 1.61780472159365
Energy: 1.5864062507371848
Energy: 1.569924415008503
Energy: 1.541770192926783
Energy: 1.58783566677027
Energy: 1.5893988793233766
Energy: 1.5880496308443723
Energy: 1.61295192820571
Energy: 1.678843733932662
Energy: 1.5662197660663455
Energy: 1.8095676155133276
Energy: 1.597332586568077
Energy: 1.663654252463082
Energy: 1.6394333168281998
Energy: 1.5822638057170377
Energy: 1.5393844047867822
Energy: 1.568929709846735
Energy: 1.5241629027726398
Energy: 1.6061169980944614
Energy: 1.7354459207694273
Energy: 1.691641764183771
Energy: 1.5438443851518922
Energy: 1.5310037260338534
Energy: 1.7072938292978275
Energy: 1.5471811421790647
Energy: 2.192424385419035
Energy: 1.6657450106665528
Energy: 1.6329857807955113
Energy: 1.7282531641400551
Energy: 1.6841312225957572
Energy: 1.5840971473107666
Energy: 1.5522824713024632
Energy: 1.5952073726912257
Energy: 1.5833616685530731
Energy: 1.5812882816812865
Energy: 1.5832200694744651
Energy: 1.5700993617972083
Energy: 1.5684687558206192
Energy: 1.5865597417726054
Energy: 1.597410514686
Energy: 1.5898475328601598
Energy: 1.5861606257315
Energy: 1.5898955008965343
Energy: 1.5979379035313803
Energy: 1.675622552450241
Energy: 1.581358513684612
Energy: 1.5847157597430723
Energy: 1.60963448680155
Energy: 1.6110535584032868
Energy: 1.5798623265244573
Energy: 1.5862625369973369
Energy: 1.755075837232446
Energy: 1.5971259744894217
Energy: 1.5880242664035622
Energy: 1.591245330545543
Energy: 1.5589521647835214
Energy: 1.7192841513363062
Energy: 1.6809329156357125
Energy: 1.5639947875430098
Energy: 1.5253734953982117
Energy: 1.581056555427649
Energy: 1.6229938267469957
Energy: 1.6461965010008912
Energy: 1.5974072181762327
Energy: 1.5287388812802645
Energy: 1.5677477633045291
Energy: 1.813275450841099
Energy: 1.6111681248416392
Energy: 1.7205624679473088
Energy: 1.6920992511449116
Energy: 1.5857943051925083
Energy: 1.5441770646566568
Energy: 1.5647788807033902
Energy: 1.5319863362958108
Energy: 2.1413430988215865
Energy: 1.7253105427439688
Energy: 1.6439897657124676
Energy: 1.5921291797595962
Energy: 1.6273687644537798
Energy: 1.5663253597263378
Energy: 1.5286470689642762
Energy: 1.5935496594674576
Energy: 1.6662386437039083
Energy: 1.5828786067336373
Energy: 1.5831414747165353
Energy: 1.7160644791170896
Energy: 1.5652184487600072
Energy: 1.8132757529157872
Energy: 1.6766483727993138
Energy: 1.6021216128846325
Energy: 1.5823690418008356
Energy: 1.5886632803355383
Energy: 1.5663508691868988
Energy: 1.5687292390557654
Energy: 1.577022271873968
Energy: 1.627323202077885
Energy: 1.631952061252324
Energy: 1.6111133763371956
Energy: 1.5811701600582146
Energy: 1.602288624769583
Energy: 1.742823529300011
Energy: 1.5852203195924246
Energy: 1.5489566157348602
Energy: 1.5990942555947203
Energy: 1.5413829738039595
Energy: 1.6178272139738772
Energy: 1.5874404968049385
Energy: 1.5710210355735876
Energy: 1.5404368273049265
Energy: 1.5867545942046821
Energy: 1.5894502266760053
Energy: 1.5828820844705511
Energy: 1.6128117134733866
Energy: 1.6789022810253755
Energy: 1.5663299671263915
Energy: 1.8092246051068914
Energy: 1.5968221218172374
Energy: 1.6638577500585698
Energy: 1.6402964660923949
Energy: 1.5825775830215063
Energy: 1.541729707760775
Energy: 1.5690330422844645
Energy: 1.524457750837531
Energy: 1.6045570642858236
Energy: 1.6521016282096843
Energy: 1.6328724931473302
Energy: 1.543641710940294
Energy: 1.530911942225877
Energy: 1.6431164033369037

minimum gb energy = 1.5241629027726398 eV
minimum distance =  2.25463655644321 Angstroms
sigma value = 21


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

Energy: 1.8208391679069904
Energy: 1.783956547387091
Energy: 1.7952606433631375
Energy: 1.9109792549049407
Energy: 1.678784131716202
Energy: 1.6091314541780481
Energy: 1.7848357762145792
Energy: 1.600119209104201
Energy: 1.6218022763933002
Energy: 1.7707098666937915
Energy: 1.704308420658747
Energy: 1.7581084162560303
Energy: 1.655443009315436
Energy: 1.8894827101288754
Energy: 1.6967336956004633
Energy: 1.689769777534322
Energy: 1.5756152532309535
Energy: 1.7332844096832987
Energy: 1.7750959746961545
Energy: 1.5505753944431993
Energy: 1.843598311383014
Energy: 1.5531741002088175
Energy: 1.6645332319305544
Energy: 1.6265363444489827
Energy: 1.721104451792842
Energy: 1.6139939368781078
Energy: 1.5644458075888905
Energy: 1.7725541830292577
Energy: 1.5516612267890353
Energy: 1.5782047889382083
Energy: 1.6245806288073776
Energy: 1.6398946802381102
Energy: 1.6060229595201103
Energy: 1.6296217514822398
Energy: 1.5964494356410128
Energy: 1.53134046479104
Energy: 1.5772177126429914
Energy: 1.6551290298763675
Energy: 1.77692655680128
Energy: 1.5803086417388414
Energy: 1.595518706545718
Energy: 1.594080072346204
Energy: 1.540042434813598
Energy: 1.580240665219716
Energy: 1.5818055616034552
Energy: 1.6198790375799788
Energy: 1.5308408884906077
Energy: 1.5199789650229985
Energy: 1.6949489725263847
Energy: 1.601739797543002
Energy: 1.6048639331324488
Energy: 1.5976844913855786
Energy: 1.736861458554821
Energy: 1.6478500061115418
Energy: 1.5390884940399492
Energy: 1.615634262397279
Energy: 1.5646860297074012
Energy: 1.60586041885555
Energy: 1.7471500255082284
Energy: 1.6193804519708699
Energy: 1.7232803068869194
Energy: 1.7718425426879862
Energy: 1.727465781535546
Energy: 1.5533118900984653
Energy: 1.7601669197814862
Energy: 1.598452316400133
Energy: 1.7684658085501406
Energy: 1.6810830644589498
Energy: 1.6824706963928584
Energy: 1.771181369107735
Energy: 1.646423639309345
Energy: 1.86219246159409
Energy: 1.6148576472242957
Energy: 1.6862530841850687
Energy: 1.774967896902315
Energy: 1.7632389450865036
Energy: 1.8213669998975455
Energy: 1.7044368346838832
Energy: 1.7812752672232188
Energy: 1.7097968460262327
Energy: 1.7614222037134772
Energy: 1.7843672928837515
Energy: 1.5198766079938666
Energy: 1.87930717468272
Energy: 1.5320224063167738
Energy: 2.14149563657215
Energy: 1.8013502303256297
Energy: 1.7657340987392727
Energy: 1.6227906293406917
Energy: 1.6469178771962467
Energy: 1.760244743722884
Energy: 1.5210279988122422
Energy: 1.6326010750662225
Energy: 1.5775601154634984
Energy: 1.7602809979827763
Energy: 1.6947822410153945
Energy: 1.6763727120802228
Energy: 1.842392297893172
Energy: 1.6089356541152515
Energy: 1.6868257540386626
Energy: 1.6614937180009213
Energy: 1.7053577108927018
Energy: 1.8078662768091571
Energy: 1.7298873760111706
Energy: 1.8124615001591042
Energy: 1.7329202094444445
Energy: 1.6280790685226016
Energy: 1.6416787132505146
Energy: 1.7451674798596264
Energy: 1.6163405678791094
Energy: 1.5972863056033533
Energy: 1.767180041784967
Energy: 1.5519066642082284
Energy: 1.597704597917253
Energy: 1.6599212907546914
Energy: 1.6267747889346225
Energy: 1.6417575040816257
Energy: 1.6475620838432545
Energy: 1.6209470518436704
Energy: 1.5315319961837404
Energy: 1.6233271420650321
Energy: 1.6204335037212052
Energy: 1.7189875498762164
Energy: 1.5809089351778802
Energy: 1.8061729119392063
Energy: 1.6118819948548389
Energy: 1.5242697160304814
Energy: 1.7102660717520424
Energy: 1.5836134873367695
Energy: 1.6235815192385006
Energy: 1.5665324651964072
Energy: 1.5283986011270734
Energy: 1.6806955454055614
Energy: 1.6639510240250504
Energy: 1.6586593763590576
Energy: 1.596954329983337
Energy: 1.6453079390558
Energy: 1.5772556891765106
Energy: 1.5405059069863893
Energy: 1.7205403820617924
Energy: 1.564739444930437
Energy: 1.726770899135729
Energy: 1.7447870304639177
Energy: 1.7280032124081144
Energy: 1.7185267199931786
Energy: 1.771697541461805
Energy: 1.6788858317562816
Energy: 1.7150724331425404
Energy: 1.746588304006666
Energy: 1.5950637936203476
Energy: 1.5992972053990402
Energy: 1.7422547687775682
Energy: 1.6767043140819853
Energy: 1.7290733325316612
Energy: 1.733441307524576
Energy: 1.6280311538888066
Energy: 1.7452268449073176
Energy: 1.8309613250012071
Energy: 1.6267500690402648
Energy: 1.6283243177923727
Energy: 1.7742880728846886
Energy: 1.6941475998392526
Energy: 1.678813378349981
Energy: 1.6462354224133584
Energy: 1.8357466129943003
Energy: 1.797578540734054
Energy: 1.5311558183973772
Energy: 1.8494768342388404
Energy: 1.5220781361902733
Energy: 1.6289207923855797
Energy: 1.731329497445406
Energy: 1.7720060948525476
Energy: 1.6263422391037314
Energy: 1.6283421495335415
Energy: 1.775435198927727

minimum gb energy = 1.5198766079938666 eV
minimum distance =  2.14559089299766 Angstroms
sigma value = 113


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

Energy: 1.7701873108225057
Energy: 1.9121347544723846
Energy: 1.8155338205548268
Energy: 1.889517586133191
Energy: 1.8079972305895762
Energy: 1.775979754512979
Energy: 1.9096634796206795
Energy: 1.878810685818512
Energy: 1.8690662193879812
Energy: 1.7969906164600875
Energy: 1.8827584543011577
Energy: 1.8027571091790955
Energy: 1.8007219187561891
Energy: 1.9358493473049398
Energy: 1.832260473413335
Energy: 1.8137290741537655
Energy: 1.748169405110991
Energy: 1.7869913518130114
Energy: 1.8127103714488888
Energy: 1.7419236991546465
Energy: 1.9650124239352311
Energy: 1.7107357537195371
Energy: 1.7765633909750247
Energy: 1.7528167886050012
Energy: 1.7749270622934648
Energy: 1.7603965566767275
Energy: 1.7423639281936965
Energy: 1.862726552881831
Energy: 1.729119257536834
Energy: 1.8346880291905756
Energy: 1.8194810997902926
Energy: 1.7019142957387052
Energy: 1.7652114054029906
Energy: 1.8524823740241583
Energy: 1.7284400754544746
Energy: 1.656939232266062
Energy: 1.7652196949593904
Energy: 1.7231986274158784
Energy: 1.8126412657193034
Energy: 1.6472620147715813
Energy: 1.6685803982868037
Energy: 1.7827370478139704
Energy: 1.7479604638901167
Energy: 1.67289225747443
Energy: 1.8075779886027237
Energy: 1.6791977403834077
Energy: 1.6891369836518642
Energy: 1.7715823419931302
Energy: 1.774620714550549
Energy: 1.66304401096754
Energy: 1.628972975113028
Energy: 1.6586384530072862
Energy: 1.7763282122073447
Energy: 1.7917947626919677
Energy: 1.7468234613681954
Energy: 1.6117640294128943
Energy: 1.6465918135940256
Energy: 1.6377940752804057
Energy: 1.7267240852770105
Energy: 1.6879081575943398
Energy: 1.6902775066538427
Energy: 1.7285726893488436
Energy: 1.6975822591584073
Energy: 1.7188949468427095
Energy: 1.6957997671955918
Energy: 1.71193883655237
Energy: 1.671408172243487
Energy: 1.7589683870656803
Energy: 1.856027244476397
Energy: 1.5982337175775734
Energy: 1.7075620158271179
Energy: 1.6856773581396753
Energy: 1.7810383133093715
Energy: 1.7146337097508442
Energy: 1.635396751450057
Energy: 1.726754697543728
Energy: 1.639616077135148
Energy: 1.6476780332982242
Energy: 1.8782687714832254
Energy: 1.7646304274753932
Energy: 1.694030455031187
Energy: 1.660553242457416
Energy: 1.707875349298775
Energy: 1.7757417336568746
Energy: 1.752732586952929
Energy: 1.596429431951101
Energy: 1.6496872017350936
Energy: 1.7564010564561776
Energy: 1.7191469628476719
Energy: 1.679408967191831
Energy: 1.6307777674334651
Energy: 1.760010209833691
Energy: 1.6270577742481962
Energy: 1.813954836530462
Energy: 1.7919860284462525
Energy: 1.6507953024453026
Energy: 1.8227016686344086
Energy: 1.6880551281942144
Energy: 1.6832435580803329
Energy: 1.7104363301064853
Energy: 1.6587409833510425
Energy: 1.6835503827508247
Energy: 1.7004396300964961
Energy: 1.7738042448316291
Energy: 1.7383754544618493
Energy: 1.7017668809800328
Energy: 1.7211170809473868
Energy: 1.8034299399122369
Energy: 1.7509122041789613
Energy: 1.7265875628461231
Energy: 1.713034095782051
Energy: 1.6983179514184172
Energy: 1.6382148944841706
Energy: 1.8562980197056693
Energy: 1.7938423071856213
Energy: 1.7108485125050557
Energy: 1.725437681222707
Energy: 1.7366803279699885
Energy: 1.735936645345557
Energy: 1.6662228848799592
Energy: 1.7773083582640647
Energy: 1.735949522397836
Energy: 1.798303684394702
Energy: 1.707990766074957
Energy: 1.6930365445382414
Energy: 1.7599877813978217
Energy: 1.7889125484278543
Energy: 1.8388216733446763
Energy: 1.7437891304308537
Energy: 1.8442597879060585
Energy: 1.8953731618507972
Energy: 1.8270462704957608
Energy: 1.8095413606627346
Energy: 1.767742926038918
Energy: 1.885547667871464
Energy: 1.7230822883402601
Energy: 1.819225884652375
Energy: 1.7003803108659026
Energy: 1.7733546430590201
Energy: 1.8728429871313939
Energy: 1.8358080221029274
Energy: 1.8128686483919245
Energy: 1.8468574760949903
Energy: 1.8199780622967843
Energy: 1.8286515786294932
Energy: 1.7598634601779723
Energy: 2.0628951710133725
Energy: 1.8281226034060176
Energy: 1.8424677993674545
Energy: 1.8279237601280578
Energy: 1.8538077682225844
Energy: 1.8236524158549565
Energy: 1.7197845996653893
Energy: 1.9379332375020948
Energy: 1.7706492730892371
Energy: 2.1261213854765066
Energy: 1.8087830853902067
Energy: 1.8771997173804853
Energy: 1.8010145727498414
Energy: 1.7739729105520232
Energy: 1.9027886814708994
Energy: 1.8828767641682402
Energy: 1.8707416411765176
Energy: 1.8256268040526877
Energy: 2.007990250139179
Energy: 1.817913554887264
Energy: 2.0314996440964426
Energy: 1.9668934700329288
Energy: 1.7152519730445437
Energy: 1.8132948013281422
Energy: 1.7472910880821022
Energy: 1.7911532553685172
Energy: 1.7545171122431125
Energy: 1.7469615577469026
Energy: 1.9700396042182022
Energy: 1.7121059411102977
Energy: 1.7921600191316853
Energy: 1.741668179260859
Energy: 1.7724081920040125
Energy: 1.7555213495635384
Energy: 1.743964959671212
Energy: 1.8704530199681768
Energy: 1.7344343016436503
Energy: 1.8341100133010624
Energy: 1.8484143813849903
Energy: 1.7223156510835465
Energy: 1.7472318244914722
Energy: 1.883618509650957
Energy: 1.7188877531663684
Energy: 1.6556643876013997
Energy: 1.7687216191127217
Energy: 1.7164173017246274
Energy: 1.802699690946132
Energy: 1.6485617618866408
Energy: 1.6668867826541107
Energy: 1.7797137895338715
Energy: 1.7396254316133999
Energy: 1.6735876574926756
Energy: 1.7810871454336186
Energy: 1.7717804168526248
Energy: 1.6904671603532686
Energy: 1.6928628312269103
Energy: 1.7325796607463921
Energy: 1.7319992934899977
Energy: 1.6268150336790126
Energy: 1.7247126998619133
Energy: 1.7536850170657803
Energy: 1.7519911454298367
Energy: 1.7011212626274397
Energy: 1.6145127097477947
Energy: 1.6443707359781472
Energy: 1.7264044040421545
Energy: 1.7278211969627204
Energy: 1.7057844806434577
Energy: 1.6932698954437275
Energy: 1.7658399099157012
Energy: 1.810868208718295
Energy: 1.7544078642795655
Energy: 1.7485282771626325
Energy: 1.7105592016793723
Energy: 1.6338614294526899
Energy: 1.7581965842819147
Energy: 1.769991454568172
Energy: 1.5987460763746928
Energy: 1.7187188081343983
Energy: 1.7101892418194842
Energy: 1.7060775746726127
Energy: 1.6497656346926097
Energy: 1.647752768013132
Energy: 1.7593279013790508
Energy: 1.6757324140957084
Energy: 1.645662357590792
Energy: 1.682179315824064
Energy: 1.7672089733509833
Energy: 1.693183250016696
Energy: 1.6759497228199023
Energy: 1.669365997440403
Energy: 1.7542732234706435
Energy: 1.7222397874144186
Energy: 1.5942120193886744
Energy: 1.7254365988624216
Energy: 1.7661373108440794
Energy: 1.7205084911646538
Energy: 1.7185941744954734
Energy: 1.6245689601646107
Energy: 1.7583091705041427
Energy: 1.6394896809389545
Energy: 1.7587336464046857
Energy: 1.7129403412124093
Energy: 1.6411610294538337
Energy: 1.781038735111605
Energy: 1.722354569261521
Energy: 1.6822237112476994
Energy: 1.7579811534245207
Energy: 1.6797329375698111
Energy: 1.6881849138672491
Energy: 1.7131198930024305
Energy: 1.7738097041040952
Energy: 1.7409537732180103
Energy: 1.6924709359512409
Energy: 1.7178595886833128
Energy: 1.8815200263995713
Energy: 1.6839312012851264
Energy: 1.7690694384716956
Energy: 1.7154878995927223
Energy: 1.6993963981853397
Energy: 1.6405458297073365
Energy: 1.8386931129580668
Energy: 1.7921860577254698
Energy: 1.7099013925769486
Energy: 1.7280244388290342
Energy: 1.6846265996728775
Energy: 1.8013062355837497
Energy: 1.663074325770455
Energy: 1.7227611406265366
Energy: 1.7355311002651972
Energy: 1.7895524284821418
Energy: 1.7616584637887924
Energy: 1.7366533105558941
Energy: 1.7578303614752724
Energy: 1.7886682430947138
Energy: 1.7742971934072829
Energy: 1.790308751133298
Energy: 1.7470175873196625
Energy: 1.842773430799632
Energy: 1.7934167793331388
Energy: 1.8722953669201219
Energy: 1.7663417800876597
Energy: 1.8308550956617344
Energy: 1.724087070343441
Energy: 1.824798072263061
Energy: 1.7939807953841203
Energy: 1.7719553572122009
Energy: 1.8784038163235475
Energy: 1.833664818396368
Energy: 1.8330501744073635
Energy: 1.8488826032472818
Energy: 1.847744796081705
Energy: 1.823660791337549
Energy: 1.7618819444407936
Energy: 1.9142584352820815
Energy: 1.8280896030225386
Energy: 1.8709818283379471
Energy: 1.8258368248391006
Energy: 1.8700906030383735
Energy: 1.828301881082864
Energy: 1.7603683653698379
Energy: 2.015790671814605
Energy: 1.7728372485603037
Energy: 2.1236848699049333
Energy: 1.805434536407664
Energy: 1.876189230772401
Energy: 1.8697204319954384
Energy: 1.774511710577199
Energy: 1.9006467014863329

minimum gb energy = 1.5942120193886744 eV
minimum distance =  2.12583710420013 Angstroms
sigma value = 365


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

Energy: 1.5840052673298752
Energy: 1.6052139383667097
Energy: 1.577409503293855
Energy: 1.612424754857452
Energy: 1.6058465785513059
Energy: 1.5776118595794366
Energy: 1.6052202234304889
Energy: 1.5030423042497563
Energy: 2.4892959503574534
Energy: 2.4503500498812913
Energy: 1.5500308022348193
Energy: 1.5505291788886397
Energy: 2.4685547941927033
Energy: 2.4880050677942642
Energy: 1.582264865514448
Energy: 2.461152765155134
Energy: 1.5561481537939168
Energy: 1.546798015798595
Energy: 1.5473342789836777
Energy: 1.5529332641546478
Energy: 1.5249463312497316
Energy: 1.5827180444589801
Energy: 2.5511011788803613
Energy: 1.5476992914080239
Energy: 1.523510397581262
Energy: 1.5237651487434845
Energy: 1.5473800699095883
Energy: 1.6060329684659136
Energy: 1.503072509504568
Energy: 1.789080395639184
Energy: 1.5013697819677017
Energy: 3.1139686721871622
Energy: 2.4792570635086486
Energy: 1.5007644325323102
Energy: 2.48955988024454
Energy: 1.5882019174981865
Energy: 2.5500382963283013
Energy: 1.5469099699056834
Energy: 1.5243772858052256
Energy: 1.5485350919411616
Energy: 1.5456451673041673
Energy: 1.6066582927444037
Energy: 2.4693160709330697
Energy: 2.4872908858694722
Energy: 1.5470427539156748
Energy: 1.5475013408225946
Energy: 1.5485966055279516
Energy: 1.5535090834757475
Energy: 2.4874415890208446
Energy: 1.5815722672724628
Energy: 2.4630610521417178
Energy: 1.5467829664655257
Energy: 1.5479208898220063
Energy: 1.547696178566931
Energy: 1.5532011152408725
Energy: 2.4620524583018435
Energy: 1.5818129795103355
Energy: 2.550484144802721
Energy: 1.5478540460660204
Energy: 1.5473519714849813
Energy: 1.5226086671277537
Energy: 1.5475755417179315
Energy: 1.6082933635510066
Energy: 1.604815538041774
Energy: 1.7889679217344354
Energy: 1.5012167871583935
Energy: 3.113168891926805
Energy: 3.1147380105751297
Energy: 1.5008568844013463
Energy: 3.1099969996313903
Energy: 1.5816560793945673
Energy: 2.5507105048310073
Energy: 1.5481540244133016
Energy: 1.5244289597474474
Energy: 1.5219605678491286
Energy: 1.5470046191813882
Energy: 1.6095008221871268
Energy: 1.5817375582084519
Energy: 2.4868360583480853
Energy: 1.5465840581112222
Energy: 1.547210369543827
Energy: 1.5479818051505627
Energy: 1.5525910965567151
Energy: 2.462342677661347
Energy: 2.4692606211106605
Energy: 2.488055372167168
Energy: 2.4676840419488184
Energy: 1.5480255606295177
Energy: 1.548423463329572
Energy: 2.45018230451721
Energy: 2.4877775823953256
Energy: 1.5852275272976906
Energy: 2.550424833266205
Energy: 1.5813370173308345
Energy: 1.6069723148529504
Energy: 1.523019449071864
Energy: 1.5471262911624366
Energy: 1.605790068338472
Energy: 1.5024070724942584
Energy: 2.4895614321089656
Energy: 1.5011318067612562
Energy: 2.44988284310624
Energy: 2.448777701443751
Energy: 2.467506428442232
Energy: 2.4883965280002656
Energy: 1.5811515689301645
Energy: 2.5503715681850956
Energy: 1.5572854197701176
Energy: 1.546484188354503
Energy: 1.524064691951243
Energy: 1.5464449705429022
Energy: 1.5235671926187364
Energy: 1.5824527407904754
Energy: 2.551663557122908
Energy: 1.5470602607931994
Energy: 1.5465818344866156
Energy: 1.5475590726580737
Energy: 1.5536887334497587
Energy: 1.5250728321638627
Energy: 1.502894330981717
Energy: 2.48924169428225
Energy: 2.466966825441856
Energy: 1.545390831490914
Energy: 2.4510492098575636
Energy: 2.450069828372814
Energy: 2.488501788216362
Energy: 1.5844668980864847
Energy: 2.548163303507988
Energy: 1.5781977438298622
Energy: 1.6129490096193535
Energy: 1.6164019772449076
Energy: 1.5796276341667965
Energy: 1.6053484592751461
Energy: 2.4693212621628047
Energy: 2.4887986295478344
Energy: 2.4509791299420076
Energy: 1.5490976576224469
Energy: 1.5491075265594072
Energy: 2.4695482793864354
Energy: 2.4874830600850553

minimum gb energy = 1.5007644325323102 eV
minimum distance =  0.000513991580875588 Angstroms
sigma value = 23